A0A5K4EIZ2_SCHMA Loading...

Eukaryotic translation initiation factor 2c,putative

AlphaFold DB , UniProt , Accession A0A5K4EIZ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 924 aa.

						>A0A5K4EIZ2_SCHMA|A0A5K4EIZ2
MEEGSSNTSSRGGRRKRHQKSRTSKQPISESQQTQQSGDHEQSSIPPSVQEAPVTSSLGDEPSVIDVFPSTSKLTSPPSKAAKQKKKHLKVVETVHLSEDLSKMSIRRFSIPNRPDGGGKLGKEIYVTVNCWDFSIKPKIVYMYRAEALAVYRGDEGNRTEIRMSAKDKRALIKQVADSLHDCIIYDGGHDIYSADRLPGIGKVPTEAEMKIVDPLGRDNLVLKYHLMEVQTVSTDDVQQYVENPKATSLNIPQESIRLLDCILRTVSKQSLISLGRSALFYDKPVKVIADKLFSIHRGFIASIRPQWKVRVNLDMTYKAFFRAGNLADVMYEKYGDNIARCSSQMAHDLRRIRVETDKFYKNENGDVYSRRFTVHGISSVPADKLMIEERKQSVAAYFDEHHHIKLKYPDLPCVKVDQKREVYMPMEQLNILPFQAPNASKADVASEVIRCAAVRPQERFRELVNFTNTISKEHRLFQLFQAKIANQPVDVKSRVLQPPKAIFNRPDKIQLKAGSWNTPDFHEPARHGVAIPWGILCVPNNPRSKGDVEKVTNELPKAANRFGVFLSNKPLISQCYVNQLEKKFEEFHRQGCNFIMLILYDDLAYGTIKRLSDLKMGIRTQCVRGSTLRKPNVFPNLLLKLNGKLGGVNWIVPDLTEYSKDLIMVFGADVTHPAPTQTHQVLKSVAAVVGSVSPELMRYGAIVRQQATTERGNKTTREIIDNLHLSVGELLTLYLRNTKGRFPKRIIFYRDGVSEGQFENVLVEELSAIQKACSDIRPGEEPAITFIVVQKRHHIRLKPQDPRARNVEPGTVVDTDITHRREFDFYICSHEGIQGTSKPSHYHVLYDDSNFTSDSLQMFTYHLCYAYMRCSRSVSYPAPVYYSHLAAFRARDWLSNTNEASVLLDDYDRFKVHISQTDGMFFL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.2	Very low	27	Very low	249 Å²	249	149.4 Å²	149.4	100%	1.227	83%	0.831	S	S	*	*				0	139.7	0	-82.3	175.5	178.5	0	0	107.6
2	E	27.7	Very low	26.6	Very low	187 Å²	187	143.7 Å²	143.7	87%	0.874	83%	0.831	S	S	*	*			trans	-69.5	177.6	-160.7	-69.2	168.6	130.5	0	0	115.3
3	E	30.4	Very low	26.3	Very low	197 Å²	197	138.8 Å²	138.8	92%	0.921	83%	0.831	S	S	*	*			trans	112.1	118.3	157.4	-63.7	-173.4	176.4	0	0	113.1
4	G	26	Very low	26	Very low	63 Å²	63	145.6 Å²	145.6	65%	0.649	84%	0.835	S	S	*	*			cis	150.4	135.8	4.6	0	0	0	0	0	109.5
5	S	25.5	Very low	26	Very low	124 Å²	124	150.3 Å²	150.3	87%	0.867	83%	0.834	S	S	*	*			trans	72	144.1	158.1	84.2	0	0	0	0	117.1
6	S	26.9	Very low	25.8	Very low	97 Å²	97	151.4 Å²	151.4	68%	0.678	83%	0.827	S	S	*	*			cis	-164.6	140.7	12	38.8	0	0	0	0	111.7
7	N	24.7	Very low	25.6	Very low	146 Å²	146	153.5 Å²	153.5	78%	0.781	82%	0.82	S	S	*	*			trans	51.5	119.4	131.8	-62.6	-15.7	0	0	0	123
8	T	28.3	Very low	25.6	Very low	127 Å²	127	152.7 Å²	152.7	78%	0.779	81%	0.81	S	S	*	*				166.2	103.3	97.8	36.8	0	0	0	0	109.1
9	S	22.6	Very low	25.4	Very low	100 Å²	100	153.5 Å²	153.5	70%	0.699	81%	0.809	S	S	*	*				66.2	108.4	94.4	72.7	0	0	0	0	116
10	S	23.5	Very low	25.4	Very low	104 Å²	104	155.7 Å²	155.7	73%	0.727	81%	0.811	S	S	*	*				149.2	141.3	97.7	63.7	0	0	0	0	114.8
11	R	26.9	Very low	25.3	Very low	249 Å²	249	153 Å²	153	94%	0.94	81%	0.806	S	S	*	*			trans	71.1	126.2	160.5	-64.1	174.1	172.6	-176.3	-1.9	117
12	G	22.8	Very low	24.8	Very low	81 Å²	81	152 Å²	152	84%	0.835	79%	0.788	S	S	*	*			cis	146.5	147	7.3	0	0	0	0	0	109.6
13	G	23	Very low	24.5	Very low	80 Å²	80	149 Å²	149	83%	0.825	78%	0.783	S	S	*	*			trans	98.1	93.3	164.9	0	0	0	0	0	115.9
14	R	22.2	Very low	24.2	Very low	235 Å²	235	144.6 Å²	144.6	89%	0.887	77%	0.774	S	S	*	*				90	114.1	51.2	-162.8	-170.5	-154.3	-174.9	6.7	113.5
15	R	25.2	Very low	24	Very low	216 Å²	216	151.5 Å²	151.5	82%	0.815	79%	0.786	S	S	*	*			trans	136.2	108.6	147	-79.5	-178.6	169.5	179.3	-3.4	111.3
16	K	23.2	Very low	23.8	Very low	168 Å²	168	154.3 Å²	154.3	73%	0.73	79%	0.786	S	S	*	*				69.5	137.2	82.1	-78.9	-169.9	177.3	-177	0	111.2
17	R	21.9	Very low	23.9	Very low	186 Å²	186	154.6 Å²	154.6	70%	0.702	79%	0.785	S	S	*	*			cis	-178.6	168.8	3.9	-123	-179.5	177.9	-176.5	-3.5	107.4
18	H	26.2	Very low	23.7	Very low	140 Å²	140	155 Å²	155	65%	0.648	79%	0.785	S	S	*	*			trans	91.5	107.3	159.9	-65.8	-60.3	0	0	0	117.2
19	Q	21.2	Very low	23.3	Very low	168 Å²	168	152.9 Å²	152.9	79%	0.785	78%	0.776	S	S	*	*				74.4	116.1	63.2	-80.4	-174	-26.2	0	0	114.5
20	K	26.2	Very low	23.2	Very low	197 Å²	197	156.8 Å²	156.8	86%	0.857	78%	0.783	S	S	*	*				178.1	112.2	127.2	-99.1	171.2	-177.2	-176.7	0	108.5
21	S	22.9	Very low	23.2	Very low	100 Å²	100	157.9 Å²	157.9	70%	0.699	79%	0.791	S	S	*	*				73.9	131.8	97.8	74.4	0	0	0	0	112.3
22	R	24.7	Very low	22.8	Very low	226 Å²	226	154.2 Å²	154.2	85%	0.853	78%	0.784	S	S	*	*			cis	-168.9	132.4	28	-109.1	161.7	169	-175.6	-3.9	105.6
23	T	20.6	Very low	22.7	Very low	125 Å²	125	158.1 Å²	158.1	77%	0.767	78%	0.781	S	S	*	*				29.6	126.5	107.8	58.5	0	0	0	0	114.7
24	S	23.2	Very low	22.6	Very low	104 Å²	104	159.7 Å²	159.7	73%	0.727	78%	0.775	S	S	*	*				177.4	145.7	61.7	48.5	0	0	0	0	113.4
25	K	22.9	Very low	22.5	Very low	208 Å²	208	157 Å²	157	90%	0.904	77%	0.772	S	S	*	*			trans	66.8	119.5	138.7	-68.1	-178.1	177.1	-175.2	0	122.5
26	Q	21.1	Very low	22.4	Very low	184 Å²	184	156 Å²	156	86%	0.86	78%	0.777	S	S	*	*			trans	-31.6	166.2	143.4	-72.8	179.4	-31.8	0	0	115.2
27	P	28.9	Very low	22.3	Very low	102 Å²	102	153.8 Å²	153.8	66%	0.662	78%	0.782	S	S	*	*			cis	-155.8	179.5	36.6	46	-24.9	0	0	0	119.5
28	I	20.9	Very low	22.3	Very low	154 Å²	154	147.9 Å²	147.9	79%	0.79	78%	0.78	S	S	*	*			trans	64.7	143.9	143.2	-70.5	156.6	0	0	0	117.9
29	S	19.8	Very low	22.2	Very low	83 Å²	83	149 Å²	149	58%	0.58	79%	0.79	S	S	*	*			cis	-176.6	153.3	-16	55.5	0	0	0	0	105.8
30	E	19.6	Very low	22.4	Very low	182 Å²	182	149.1 Å²	149.1	85%	0.85	79%	0.791	S	S	*	*			trans	49.7	114.9	147.7	-65.6	177.9	175.2	0	0	121.2
31	S	23.6	Very low	22.2	Very low	127 Å²	127	149.1 Å²	149.1	89%	0.888	79%	0.793	S	S	*	*				-176	145.4	114.4	36.3	0	0	0	0	112.2
32	Q	19.1	Very low	22.3	Very low	172 Å²	172	150.5 Å²	150.5	80%	0.804	79%	0.789	S	S	*	*			trans	-72.7	146.9	-178.3	-58.9	161	-3.9	0	0	111
33	Q	21.3	Very low	22.3	Very low	164 Å²	164	144.2 Å²	144.2	77%	0.766	78%	0.78	S	S	*	*				165.2	139.6	111.6	-91.1	-177.6	0.9	0	0	113.6
34	T	20.9	Very low	22.5	Very low	113 Å²	113	141.6 Å²	141.6	69%	0.693	77%	0.766	S	S	*	*			trans	72.1	106.4	146.1	47.8	0	0	0	0	121.6
35	Q	19.9	Very low	22.5	Very low	179 Å²	179	143.3 Å²	143.3	84%	0.836	77%	0.766	S	S	*	*				47.8	106.8	122.5	-65.2	-179.5	4.2	0	0	117.7
36	Q	23	Very low	22.7	Very low	195 Å²	195	136.1 Å²	136.1	91%	0.911	74%	0.741	S	S	*	*			trans	-152.1	126.7	132.9	-109	168.8	30.7	0	0	110.5	G38	Q36-G38 PolarHBondContact O-N 3.12Å
37	S	20.4	Very low	23.1	Very low	120 Å²	120	131.1 Å²	131.1	84%	0.839	72%	0.724	S	S	*	*			trans	-53.2	116.2	173.3	45.6	0	0	0	0	112.5
38	G	22.7	Very low	23	Very low	63 Å²	63	129.1 Å²	129.1	65%	0.649	71%	0.712	S	S	*	*			trans	-119.4	102.2	162.2	0	0	0	0	0	108.5	Q36 H40	Q36-G38 PolarHBondContact O-N 3.12Å; G38-H40 PolarHBondContact O-N 3.2Å
39	D	23.9	Very low	23.2	Very low	163 Å²	163	128 Å²	128	87%	0.872	71%	0.712	S	S	*	*			trans	-54.8	120.4	178.1	-81.8	-40.7	0	0	0	111	E41	D39-E41 PolarHBondContact O-N 3.04Å
40	H	25	Very low	23.6	Very low	171 Å²	171	127.9 Å²	127.9	79%	0.792	70%	0.703	S	S	*	*			trans	-67.7	111.9	175.2	-79.7	-67.7	0	0	0	110.8	G38 Q42	G38-H40 PolarHBondContact O-N 3.2Å; H40-Q42 VanDerWaalsContact C-N 3.29Å; H40-Q42 PolarHBondContact O-N 3.28Å
41	E	22.6	Very low	23.8	Very low	196 Å²	196	125.9 Å²	125.9	92%	0.916	69%	0.693	S	S	*	*			trans	-61.3	86.2	163.3	-74.7	-171.5	145.4	0	0	110.7	D39 S43	D39-E41 PolarHBondContact O-N 3.04Å; E41-S43 PolarHBondContact O-N 2.97Å
42	Q	24.6	Very low	23.8	Very low	129 Å²	129	122.4 Å²	122.4	60%	0.603	67%	0.672	S	S	*	*			trans	-83.5	94.4	167.6	-72.4	-173.9	4.7	0	0	109.7	H40 S44	H40-Q42 VanDerWaalsContact C-N 3.29Å; H40-Q42 PolarHBondContact O-N 3.28Å; Q42-S44 PolarHBondContact O-N 2.93Å
43	S	24.1	Very low	24	Very low	95 Å²	95	120 Å²	120	66%	0.664	67%	0.672	S	S	*	*			trans	-70.2	74.4	169	61	0	0	0	0	111.6	E41	E41-S43 PolarHBondContact O-N 2.97Å
44	S	24.8	Very low	24.1	Very low	69 Å²	69	116 Å²	116	48%	0.483	66%	0.659	S	S	.	*			trans	-79	112.6	155.9	55.8	0	0	0	0	107.5	Q42 P46	Q42-S44 PolarHBondContact O-N 2.93Å; S44-P46 WeakPolarHBondContact O-CD 3.02Å
45	I	24	Very low	24.2	Very low	140 Å²	140	115.6 Å²	115.6	72%	0.718	66%	0.656	S	S	*	*			trans	-60.5	119.6	171.9	-62.4	170.9	0	0	0	106.2
46	P	26.9	Very low	24.4	Very low	58 Å²	58	111.2 Å²	111.2	38%	0.377	65%	0.645	S	S	.	*			trans	-63.5	148.7	-179.6	24.5	-31.2	0	0	0	109.7	S44 S48	S44-P46 WeakPolarHBondContact O-CD 3.02Å; P46-S48 PolarHBondContact O-N 3Å
47	P	29.7	Very low	24.4	Very low	78 Å²	78	105.7 Å²	105.7	51%	0.506	63%	0.628	S	S	.	*	S	Bend	trans	-71.5	68.8	169.8	30.6	-32.4	0	0	0	109.8
48	S	27.3	Very low	24.7	Very low	60 Å²	60	106.9 Å²	106.9	42%	0.42	62%	0.624	S	S	.	*			trans	-131.5	56.8	168.1	63.4	0	0	0	0	109.7	P46 Q50	P46-S48 PolarHBondContact O-N 3Å; S48-Q50 PolarHBondContact O-N 3.5Å
49	V	24	Very low	24.7	Very low	131 Å²	131	107.5 Å²	107.5	79%	0.794	63%	0.63	S	S	*	*			trans	-74.3	73.4	157.2	-172.9	0	0	0	0	106.6
50	Q	27.5	Very low	24.5	Very low	80 Å²	80	107.1 Å²	107.1	37%	0.374	63%	0.628	S	S	.	*			trans	-92.3	112.1	165.3	-74.8	-178.2	-9.8	0	0	106.5	S48	S48-Q50 PolarHBondContact O-N 3.5Å
51	E	24.8	Very low	24.4	Very low	140 Å²	140	107.9 Å²	107.9	65%	0.654	63%	0.632	S	S	*	*			trans	-56	138.6	173.2	-71.3	-172.7	150.2	0	0	110.5
52	A	23.9	Very low	24.4	Very low	54 Å²	54	104 Å²	104	45%	0.446	62%	0.624	S	S	.	*			trans	-61	148.7	167.7	0	0	0	0	0	109.9	V54	A52-V54 PolarHBondContact O-N 2.94Å
53	P	22.6	Very low	24.2	Very low	123 Å²	123	103 Å²	103	80%	0.799	63%	0.632	S	S	*	*			trans	-59.6	106.6	-178	22	-31.4	0	0	0	111.2	T55	P53-T55 PolarHBondContact O-N 3.31Å
54	V	22.8	Very low	24.1	Very low	80 Å²	80	104.3 Å²	104.3	49%	0.485	64%	0.635	S	S	.	*			trans	-76.9	107.4	174.8	-179.5	0	0	0	0	107.9	A52	A52-V54 PolarHBondContact O-N 2.94Å
55	T	24.6	Very low	23.8	Very low	104 Å²	104	107.6 Å²	107.6	64%	0.638	65%	0.646	S	S	*	*			trans	-83.1	135.4	168.3	29.9	0	0	0	0	109.7	P53	P53-T55 PolarHBondContact O-N 3.31Å
56	S	23.3	Very low	23.8	Very low	87 Å²	87	108.3 Å²	108.3	61%	0.608	65%	0.651	S	S	*	*			trans	-51.2	135.4	-167.3	57.2	0	0	0	0	116.7
57	S	23.5	Very low	23.4	Very low	79 Å²	79	110.3 Å²	110.3	55%	0.552	66%	0.662	S	S	*	*			trans	-123.3	98	152.1	56.7	0	0	0	0	107.8
58	L	25.3	Very low	23	Very low	144 Å²	144	115.6 Å²	115.6	75%	0.754	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-88.5	122.6	168.3	-72.8	168.1	0	0	0	107.4
59	G	23.6	Very low	23.1	Very low	76 Å²	76	117.6 Å²	117.6	78%	0.784	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-87.2	145.5	177	0	0	0	0	0	111.2
60	D	20.4	Very low	22.9	Very low	155 Å²	155	116.5 Å²	116.5	83%	0.829	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-75.2	132	172.6	-61.9	-52.7	0	0	0	110.3
61	E	22.1	Very low	22.7	Very low	188 Å²	188	119.1 Å²	119.1	88%	0.879	71%	0.709	S	S	*	*			trans	-126.6	144.1	148.5	-90.6	-162.7	165.5	0	0	109.7
62	P	22.1	Very low	22.6	Very low	113 Å²	113	117.4 Å²	117.4	73%	0.734	71%	0.713	S	S	*	*			trans	-84.4	135	-166.4	17.3	-3.2	0	0	0	112.2	V64	P62-V64 PolarHBondContact O-N 2.89Å
63	S	20.3	Very low	22.4	Very low	110 Å²	110	124.6 Å²	124.6	77%	0.769	73%	0.734	S	S	*	*			trans	-57.5	112.1	164.4	50.4	0	0	0	0	110.6
64	V	22.3	Very low	22.6	Very low	122 Å²	122	127.3 Å²	127.3	74%	0.739	74%	0.74	S	S	*	*			trans	-95.1	113.6	161.2	-178.8	0	0	0	0	107.1	P62	P62-V64 PolarHBondContact O-N 2.89Å
65	I	18.9	Very low	22.4	Very low	137 Å²	137	129 Å²	129	70%	0.703	75%	0.751	S	S	*	*			trans	-83.2	113.4	170.5	-65.2	165.8	0	0	0	105.5	V67	I65-V67 HydrophobicContact CG2-CG2 3.9Å
66	D	23.2	Very low	22.4	Very low	155 Å²	155	129.5 Å²	129.5	83%	0.829	76%	0.759	S	S	*	*			trans	-118.2	116.8	159.9	-85.7	-36.6	0	0	0	108.9
67	V	18.4	Very low	22.6	Very low	101 Å²	101	131 Å²	131	61%	0.612	77%	0.766	S	S	*	*			trans	-104.8	150.9	173.1	174.6	0	0	0	0	106.9	I65	I65-V67 HydrophobicContact CG2-CG2 3.9Å
68	F	22.1	Very low	22.7	Very low	188 Å²	188	133.1 Å²	133.1	83%	0.825	78%	0.778	S	S	*	*			trans	107	148.8	165.8	-64.8	-72.1	0	0	0	116.6
69	P	30	Very low	22.7	Very low	103 Å²	103	132.2 Å²	132.2	67%	0.669	78%	0.784	S	S	*	*				-133.3	172	-69.8	31.7	-11.2	0	0	0	112.9
70	S	19.5	Very low	22.6	Very low	108 Å²	108	138.1 Å²	138.1	76%	0.755	79%	0.788	S	S	*	*			trans	-24.1	136.8	159.8	48.6	0	0	0	0	117.7
71	T	22.4	Very low	22.6	Very low	134 Å²	134	135.3 Å²	135.3	82%	0.822	79%	0.787	S	S	*	*			trans	-164	142.9	137.3	13.4	0	0	0	0	113.5
72	S	22.4	Very low	22.8	Very low	105 Å²	105	131.3 Å²	131.3	73%	0.734	79%	0.786	S	S	*	*			trans	59.2	103	157.3	55	0	0	0	0	118.7
73	K	21.2	Very low	22.7	Very low	204 Å²	204	136 Å²	136	89%	0.887	80%	0.795	S	S	*	*				44.3	96.8	73.3	-72	-172.3	177.9	178.2	0	113.7
74	L	25.4	Very low	22.9	Very low	180 Å²	180	139.9 Å²	139.9	94%	0.942	80%	0.801	S	S	*	*			trans	-111	131.7	155.3	-100.6	150.8	0	0	0	108.8
75	T	19.9	Very low	22.8	Very low	116 Å²	116	143.9 Å²	143.9	71%	0.712	81%	0.808	S	S	*	*			trans	-104	160.9	-169.3	37.5	0	0	0	0	112.2
76	S	24	Very low	23.1	Very low	114 Å²	114	146.8 Å²	146.8	80%	0.797	82%	0.816	S	S	*	*			trans	102.6	153.4	154.7	80.6	0	0	0	0	117.7
77	P	27.9	Very low	23.2	Very low	118 Å²	118	148.6 Å²	148.6	77%	0.766	82%	0.816	S	S	*	*			cis	-132.7	-179.6	-42.9	36.3	-18.8	0	0	0	112.1
78	P	26	Very low	23.5	Very low	124 Å²	124	153.1 Å²	153.1	81%	0.805	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-97.3	142.5	-162.8	35.7	-28.7	0	0	0	113.9
79	S	25.1	Very low	23.7	Very low	125 Å²	125	151.8 Å²	151.8	87%	0.874	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-100.3	127.8	165.3	64.6	0	0	0	0	110.7
80	K	21	Very low	23.5	Very low	200 Å²	200	156.3 Å²	156.3	87%	0.87	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-90.6	139.7	179.1	-80.7	178.1	175.1	174.8	0	111
81	A	20.6	Very low	23.9	Very low	97 Å²	97	157.4 Å²	157.4	80%	0.802	84%	0.842	S	S	*	*			trans	67.6	107.8	140.8	0	0	0	0	0	120
82	A	25.2	Very low	24.2	Very low	104 Å²	104	157.2 Å²	157.2	86%	0.86	84%	0.84	S	S	*	*			trans	-136	110	136	0	0	0	0	0	109.1
83	K	21	Very low	24.5	Very low	210 Å²	210	160.4 Å²	160.4	91%	0.913	84%	0.844	S	S	*	*			trans	-76.9	117.4	173.4	-73.5	172.9	175	173.2	0	108.8
84	Q	25.1	Very low	25	Very low	193 Å²	193	156.5 Å²	156.5	90%	0.902	84%	0.837	S	S	*	*			trans	-131.2	112.8	155.9	-80	-169.2	-3.1	0	0	110.3
85	K	19.9	Very low	25.3	Very low	205 Å²	205	152.5 Å²	152.5	89%	0.891	82%	0.82	S	S	*	*			trans	-67.5	131.1	163.8	-73.5	175.6	171.6	178.9	0	108.4
86	K	25.5	Very low	26	Very low	199 Å²	199	153 Å²	153	87%	0.865	81%	0.813	S	S	*	*			trans	-175.2	117.6	135.9	-103.8	164.1	-175.1	-178.7	0	112.6
87	K	25.1	Very low	26.6	Very low	192 Å²	192	154 Å²	154	84%	0.835	81%	0.809	S	S	*	*			trans	56.7	116.7	148.9	-67.7	-175.1	173.9	-176	0	119.2	L89	K87-L89 PolarHBondContact O-N 3.05Å; K87-L89 VanDerWaalsContact O-N 3.12Å
88	H	23.8	Very low	27.3	Very low	196 Å²	196	152.1 Å²	152.1	91%	0.907	80%	0.799	S	S	*	*			trans	-38.6	108.9	159.3	-82	-85.5	0	0	0	112
89	L	25.9	Very low	27.9	Very low	160 Å²	160	151.9 Å²	151.9	84%	0.838	79%	0.787	S	S	*	*			trans	-76.8	127.5	152.4	-87	103.6	0	0	0	107.4	K87 V91	K87-L89 PolarHBondContact O-N 3.05Å; K87-L89 VanDerWaalsContact O-N 3.12Å; L89-V91 PolarHBondContact O-N 3.5Å
90	K	26.1	Very low	28.5	Very low	199 Å²	199	149.7 Å²	149.7	87%	0.865	77%	0.766	S	S	*	*			trans	-54.5	121.5	167.8	-76.2	-179.4	173.9	-177.8	0	107.7	V92	K90-V92 PolarHBondContact O-N 3.37Å
91	V	28.2	Very low	29.3	Very low	131 Å²	131	145.6 Å²	145.6	79%	0.794	75%	0.753	S	S	*	*			trans	-58	110.4	168.4	176.4	0	0	0	0	106.2	L89 E93	L89-V91 PolarHBondContact O-N 3.5Å; V91-E93 PolarHBondContact O-N 3.47Å
92	V	28.6	Very low	30.1	Very low	130 Å²	130	145.4 Å²	145.4	79%	0.788	75%	0.746	S	S	*	*			trans	-63.2	117.7	163.2	175.4	0	0	0	0	104.8	K90 T94	K90-V92 PolarHBondContact O-N 3.37Å; V92-T94 PolarHBondContact O-N 2.86Å
93	E	28.6	Very low	30.4	Very low	172 Å²	172	147.6 Å²	147.6	80%	0.804	74%	0.736	S	S	*	*			trans	-52.5	111.8	174.8	-78.2	176.2	154.8	0	0	108.5	V91 V95	V91-E93 PolarHBondContact O-N 3.47Å; E93-V95 VanDerWaalsContact C-N 3.33Å; E93-V95 PolarHBondContact O-N 2.7Å
94	T	32.7	Very low	31.1	Very low	121 Å²	121	144 Å²	144	74%	0.742	72%	0.724	S	S	*	*			trans	-61.1	100	166.4	19.7	0	0	0	0	107.2	V92 H96	V92-T94 PolarHBondContact O-N 2.86Å; T94-H96 PolarHBondContact O-N 3.47Å
95	V	32	Very low	31.7	Very low	96 Å²	96	140 Å²	140	58%	0.582	72%	0.717	S	S	*	*			trans	-54.8	110	171	-176.8	0	0	0	0	107.3	E93 L97 D100	E93-V95 VanDerWaalsContact C-N 3.33Å; E93-V95 PolarHBondContact O-N 2.7Å; V95-L97 PolarHBondContact O-N 3.47Å; V95-D100 WeakPolarHBondContact CG1-OD2 3.34Å
96	H	34.2	Very low	32.7	Very low	126 Å²	126	135.1 Å²	135.1	58%	0.583	70%	0.7	S	S	*	*			trans	-65.9	96.5	173.8	-99.9	-92.1	0	0	0	107.8	T94 S98 E99	T94-H96 PolarHBondContact O-N 3.47Å; H96-S98 PolarHBondContact O-N 2.91Å; H96-E99 HydrophobicContact CB-CG 4.46Å; H96-E99 PolarHBondContact O-N 2.89Å
97	L	36.7	Very low	33.7	Very low	136 Å²	136	136.2 Å²	136.2	71%	0.712	70%	0.698	S	S	*	*	H	α-helix	trans	-48.4	-26.4	175.8	-110.4	94.9	0	0	0	113	V95 L101	V95-L97 PolarHBondContact O-N 3.47Å; L97-L101 WeakPolarHBondContact O-CD1 3.41Å; L97-L101 WeakPolarHBondContact O-CG 3.31Å; L97-L101 PolarHBondContact O-N 3.37Å
98	S	42.6	Very low	35.1	Very low	79 Å²	79	138.5 Å²	138.5	55%	0.552	70%	0.702	S	S	*	*	H	α-helix	trans	-67.2	-33.8	177	55.9	0	0	0	0	113.8	H96	H96-S98 PolarHBondContact O-N 2.91Å
99	E	38.4	Very low	37.3	Very low	118 Å²	118	132.1 Å²	132.1	55%	0.551	67%	0.672	S	S	*	*	H	α-helix	trans	-79.7	-37.5	179.6	-74	-169.4	165	0	0	111.8	H96 L101 S102 K103	H96-E99 HydrophobicContact CB-CG 4.46Å; H96-E99 PolarHBondContact O-N 2.89Å; E99-L101 VanDerWaalsContact C-N 3.33Å; E99-L101 PolarHBondContact O-N 3.18Å; E99-S102 PolarHBondContact O-N 3.25Å; E99-S102 VanDerWaalsContact O-N 3.16Å; E99-S102 PolarHBondContact O-OG 3.16Å; E99-K103 PolarHBondContact O-N 3.46Å
100	D	37.2	Very low	39.9	Very low	80 Å²	80	128.9 Å²	128.9	43%	0.428	66%	0.662	S	S	.	*	H	α-helix	trans	-68	-33.2	178.2	-74.9	-19.7	0	0	0	112.5	V95 S102 K103 M104	V95-D100 WeakPolarHBondContact CG1-OD2 3.34Å; D100-S102 VanDerWaalsContact C-N 3.29Å; D100-S102 PolarHBondContact O-N 2.7Å; D100-K103 PolarHBondContact O-N 3.48Å; D100-M104 PolarHBondContact O-N 2.68Å
101	L	38.7	Very low	43	Very low	114 Å²	114	120 Å²	120	60%	0.597	62%	0.624	S	S	*	*	H	α-helix	trans	-65.8	-30.4	172.7	-76.5	166.7	0	0	0	112.8	L97 E99	L97-L101 WeakPolarHBondContact O-CD1 3.41Å; L97-L101 WeakPolarHBondContact O-CG 3.31Å; L97-L101 PolarHBondContact O-N 3.37Å; E99-L101 VanDerWaalsContact C-N 3.33Å; E99-L101 PolarHBondContact O-N 3.18Å
102	S	36.9	Very low	46.1	Very low	93 Å²	93	115.2 Å²	115.2	65%	0.65	60%	0.596	S	S	*	*	H	α-helix	trans	-76.3	-24.1	176.1	74.7	0	0	0	0	113.4	E99 D100	E99-S102 PolarHBondContact O-N 3.25Å; E99-S102 VanDerWaalsContact O-N 3.16Å; E99-S102 PolarHBondContact O-OG 3.16Å; D100-S102 VanDerWaalsContact C-N 3.29Å; D100-S102 PolarHBondContact O-N 2.7Å
103	K	32.4	Very low	49.2	Very low	149 Å²	149	113 Å²	113	65%	0.648	58%	0.579	S	S	*	*	H	α-helix	trans	-85.5	-17.2	178.2	-71.3	177.2	-174.3	164.6	0	113.5	E99 D100 S105	E99-K103 PolarHBondContact O-N 3.46Å; D100-K103 PolarHBondContact O-N 3.48Å; K103-S105 PolarHBondContact O-N 2.83Å
104	M	35.6	Very low	52.3	Low	135 Å²	135	106 Å²	106	67%	0.665	55%	0.545	S	S	*	.	S	Bend	trans	-64.7	95.1	160.6	-86	179	158.9	0	0	107.1	D100 I106	D100-M104 PolarHBondContact O-N 2.68Å; M104-I106 PolarHBondContact O-N 2.95Å
105	S	36.6	Very low	55.3	Low	109 Å²	109	103.4 Å²	103.4	76%	0.762	53%	0.531	S	S	*	.			trans	-56	86	160.4	174.8	0	0	0	0	107	K103 R107	K103-S105 PolarHBondContact O-N 2.83Å; S105-R107 VanDerWaalsContact C-N 3.29Å; S105-R107 PolarHBondContact O-N 3.5Å
106	I	41.9	Very low	58.2	Low	102 Å²	102	101.4 Å²	101.4	52%	0.523	52%	0.517	S	S	.	.			trans	-61.3	101.8	172.3	-64	168.3	0	0	0	103.8	M104 R108 F109	M104-I106 PolarHBondContact O-N 2.95Å; I106-R108 PolarHBondContact O-N 3.05Å; I106-F109 HydrophobicContact CG2-CD2 3.68Å; I106-F109 HydrophobicContact CG2-CE2 3.46Å; I106-F109 VanDerWaalsContact CG2-CE2 3.46Å
107	R	45.8	Very low	60.8	Low	222 Å²	222	99.1 Å²	99.1	84%	0.838	53%	0.527	S	S	*	.			trans	-45.3	118.3	167.9	-68.8	-179.9	176.1	-174.8	-0.2	105.3	S105 F109	S105-R107 VanDerWaalsContact C-N 3.29Å; S105-R107 PolarHBondContact O-N 3.5Å; R107-F109 PolarHBondContact O-N 3.27Å
108	R	55.1	Low	63.4	Low	241 Å²	241	93 Å²	93	91%	0.909	50%	0.497	S	S	*	.			trans	-43	111.7	177.5	-80.2	-179.5	176.9	164.7	-1.2	107.8	I106 S110	I106-R108 PolarHBondContact O-N 3.05Å; R108-S110 PolarHBondContact O-N 3.46Å
109	F	68.6	Low	65.8	Low	62 Å²	62	89.7 Å²	89.7	27%	0.272	48%	0.476	S	S	.	.			trans	-62.4	123.2	-179.1	-81.2	-84.6	0	0	0	107.5	I106 R107 L763 V764 L767	I106-F109 HydrophobicContact CG2-CD2 3.68Å; I106-F109 HydrophobicContact CG2-CE2 3.46Å; I106-F109 VanDerWaalsContact CG2-CE2 3.46Å; R107-F109 PolarHBondContact O-N 3.27Å; F109-L763 HydrophobicContact CB-CD2 4.47Å; F109-L763 HydrophobicContact CD1-CD2 4.18Å; F109-V764 HydrophobicContact CD2-CG2 3.59Å; F109-V764 HydrophobicContact CE2-CB 4.5Å; F109-V764 HydrophobicContact CE2-CG1 4.49Å; F109-V764 HydrophobicContact CE2-CG2 3.77Å; F109-V764 HydrophobicContact CG-CG2 4.4Å; F109-L767 HydrophobicContact CE1-CD2 3.97Å
110	S	81.9	Confident	68.6	Low	92 Å²	92	92.8 Å²	92.8	64%	0.643	49%	0.487	S	S	*	.			trans	-106.7	126	172.3	61.1	0	0	0	0	108.4	R108	R108-S110 PolarHBondContact O-N 3.46Å
111	I	90.4	Very high	71.4	Confident	11 Å²	11	93.5 Å²	93.5	6%	0.056	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-54.9	130.9	170.1	-61.2	176.8	0	0	0	107.9	L250 E823 L846	I111-L250 HydrophobicContact CD1-CD2 4.01Å; I111-L250 HydrophobicContact CD1-CG 3.91Å; I111-L250 HydrophobicContact CG1-CD1 4.49Å; I111-L250 HydrophobicContact CG1-CG 4.37Å; I111-E823 HydrophobicContact CB-CG 4.19Å; I111-E823 HydrophobicContact CG2-CB 4.04Å; I111-E823 HydrophobicContact CG2-CG 3.73Å; I111-L846 HydrophobicContact CD1-CD2 4.37Å
112	P	93	Very high	74.1	Confident	31 Å²	31	89.9 Å²	89.9	20%	0.201	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-61.7	141.7	-174.8	23.9	-34.1	0	0	0	111.2	E823 F824 V845 L846	P112-E823 WeakPolarHBondContact O-CA 3.49Å; P112-F824 PolarHBondContact O-N 3.29Å; P112-V845 WeakPolarHBondContact CD-O 3.36Å; P112-V845 HydrophobicContact CG-CB 4.42Å; P112-V845 HydrophobicContact CG-CG1 4.05Å; P112-V845 VanDerWaalsContact CG-O 3.27Å; P112-V845 WeakPolarHBondContact CG-O 3.42Å; P112-L846 VanDerWaalsContact CD-C 3.44Å; P112-L846 WeakPolarHBondContact CD-O 3.44Å
113	N	94.1	Very high	77	Confident	83 Å²	83	91.3 Å²	91.3	44%	0.444	48%	0.475	S	S	.	.	B	Isolated β-bridge	trans	-67.1	152	167.8	-61.1	-22.8	0	0	0	109	R822	N113-R822 CarbonylContact C-O 3.45Å; N113-R822 WeakPolarHBondContact CA-O 3.42Å; N113-R822 HydrophobicContact CB-CG 4.11Å; N113-R822 WeakPolarHBondContact OD1-CD 3.49Å; N113-R822 WeakPolarHBondContact OD1-CG 3.45Å; N113-R822 PolarHBondContact OD1-NE 3.28Å; N113-R822 PolarHBondContact OD1-NH1 3.49Å
114	R	94.5	Very high	80.1	Confident	25 Å²	25	89 Å²	89	9%	0.094	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-51	128.8	163.2	-172.5	-172.1	-58.6	-99.5	-13.7	109	D116 D815 T819 R822 F824 D825	R114-D116 WeakPolarHBondContact CD-O 3.34Å; R114-D116 VanDerWaalsContact CG-O 3.25Å; R114-D116 WeakPolarHBondContact CG-O 3.38Å; R114-D116 PolarHBondContact O-N 3.31Å; R114-D815 PolarHBondContact NH1-O 2.79Å; R114-D815 IonicContact NH1-OD2 2.61Å; R114-D815 PolarHBondContact NH2-O 2.77Å; R114-T819 PolarHBondContact NH2-OG1 2.83Å; R114-R822 PolarHBondContact N-O 3.41Å; R114-F824 HydrophobicContact CG-CD2 4.42Å; R114-D825 PolarHBondContact NH2-O 2.98Å; R114-D825 IonicContact NH2-OD1 3.86Å
115	P	94.5	Very high	83	Confident	68 Å²	68	84.4 Å²	84.4	44%	0.442	45%	0.445	S	S	.	.	S	Bend	trans	-69.2	-18.6	-172.6	27.6	-37.3	0	0	0	113.2	F824 F852	P115-F824 HydrophobicContact CG-CD1 4.18Å; P115-F824 HydrophobicContact CG-CE1 3.93Å; P115-F824 HydrophobicContact CG-CZ 4.26Å; P115-F852 WeakPolarHBondContact CB-O 3.44Å; P115-F852 VanDerWaalsContact CG-O 3.23Å; P115-F852 WeakPolarHBondContact CG-O 3.26Å
116	D	92.6	Very high	85.9	Confident	54 Å²	54	85 Å²	85	29%	0.289	43%	0.431	S	S	.	.	S	Bend	trans	-148.2	-170.5	-173.5	53	40.8	0	0	0	110.9	R114 G118 S854	R114-D116 WeakPolarHBondContact CD-O 3.34Å; R114-D116 VanDerWaalsContact CG-O 3.25Å; R114-D116 WeakPolarHBondContact CG-O 3.38Å; R114-D116 PolarHBondContact O-N 3.31Å; D116-G118 PolarHBondContact O-N 3.44Å; D116-G118 WeakPolarHBondContact OD1-CA 3.25Å; D116-G118 PolarHBondContact OD1-N 3.3Å; D116-S854 WeakPolarHBondContact OD1-CB 3.31Å; D116-S854 PolarHBondContact OD1-OG 2.89Å; D116-S854 WeakPolarHBondContact OD2-CB 3.47Å; D116-S854 PolarHBondContact OD2-N 2.92Å; D116-S854 PolarHBondContact OD2-OG 3.36Å
117	G	88.8	Confident	88.6	Confident	77 Å²	77	80.1 Å²	80.1	79%	0.794	41%	0.406	S	S	*	.	S	Bend	trans	-77.5	12.5	177.6	0	0	0	0	0	115.2
118	G	91.7	Very high	91.1	Very high	7 Å²	7	69.7 Å²	69.7	7%	0.072	37%	0.367	C	S	.	.	S	Bend	trans	102.7	154.1	-164.7	0	0	0	0	0	111.3	D116	D116-G118 PolarHBondContact O-N 3.44Å; D116-G118 WeakPolarHBondContact OD1-CA 3.25Å; D116-G118 PolarHBondContact OD1-N 3.3Å
119	G	94	Very high	93.2	Very high	11 Å²	11	58.2 Å²	58.2	11%	0.113	32%	0.324	C	S	.	.			trans	-69.3	157.2	-178.4	0	0	0	0	0	112.5	R495 D815 D855	G119-R495 PolarHBondContact O-NE 3.4Å; G119-R495 PolarHBondContact O-NH2 2.66Å; G119-D815 PolarHBondContact N-OD2 3.39Å; G119-D855 WeakPolarHBondContact CA-OD1 3.47Å
120	K	96.3	Very high	94.6	Very high	182 Å²	182	55.3 Å²	55.3	79%	0.791	31%	0.311	S	S	*	.			trans	-122.7	-16.3	-176.2	-59.7	178.7	-175.9	176	0	113.1	D855	K120-D855 PolarHBondContact N-OD1 2.84Å; K120-D855 PolarHBondContact N-OD2 2.96Å
121	L	95.6	Very high	95.4	Very high	96 Å²	96	50.9 Å²	50.9	50%	0.503	28%	0.28	S	S	.	.			trans	-73.8	145.4	-177.2	-69.9	-175.1	0	0	0	113.1	R495 L497 D855	L121-R495 WeakPolarHBondContact O-CD 3.43Å; L121-R495 PolarHBondContact O-NH1 3.38Å; L121-L497 WeakPolarHBondContact O-CD2 3.31Å; L121-D855 HydrophobicContact CB-CB 4.24Å; L121-D855 HydrophobicContact CD1-CB 3.81Å; L121-D855 HydrophobicContact CG-CB 3.88Å; L121-D855 VanDerWaalsContact N-CG 3.34Å; L121-D855 PolarHBondContact N-OD1 3.06Å; L121-D855 PolarHBondContact N-OD2 2.79Å
122	G	96.7	Very high	95.7	Very high	37 Å²	37	50.4 Å²	50.4	38%	0.381	28%	0.277	S	S	.	.	S	Bend	trans	96.5	175.7	-179.9	0	0	0	0	0	113.4	E124 V496	G122-E124 PolarHBondContact O-N 2.82Å; G122-V496 CarbonylContact C-O 3.54Å; G122-V496 VanDerWaalsContact CA-O 3.24Å; G122-V496 WeakPolarHBondContact CA-O 3.43Å
123	K	97.3	Very high	95.9	Very high	123 Å²	123	51 Å²	51	54%	0.535	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	117.2	-175.7	179.4	-173.2	172	-170.1	0	109.9	I125 R495 V496	K123-I125 HydrophobicContact CD-CG2 4.43Å; K123-I125 HydrophobicContact CG-CG2 4.34Å; K123-I125 PolarHBondContact O-N 3.04Å; K123-R495 CarbonylContact O-C 3.56Å; K123-R495 VanDerWaalsContact O-CA 3.24Å; K123-R495 WeakPolarHBondContact O-CA 3.41Å; K123-V496 HydrophobicContact CB-CB 4.47Å; K123-V496 PolarHBondContact N-O 3.19Å; K123-V496 PolarHBondContact O-N 2.82Å
124	E	97.2	Very high	96	Very high	102 Å²	102	47.7 Å²	47.7	48%	0.477	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	130.8	174.3	-175.8	168.4	147.2	0	0	111.3	G122 K493	G122-E124 PolarHBondContact O-N 2.82Å; E124-K493 WeakPolarHBondContact OE1-CE 3.4Å; E124-K493 IonicContact OE1-NZ 2.67Å; E124-K493 PolarHBondContact OE1-NZ 2.84Å; E124-K493 WeakPolarHBondContact OE2-CE 3.44Å; E124-K493 IonicContact OE2-NZ 3.77Å; E124-K493 PolarHBondContact OE2-NZ 2.8Å
125	I	97	Very high	96.1	Very high	38 Å²	38	49.4 Å²	49.4	20%	0.195	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	164	177.2	55.5	153.4	0	0	0	109.8	K123 V127 S494 V496 T812	K123-I125 HydrophobicContact CD-CG2 4.43Å; K123-I125 HydrophobicContact CG-CG2 4.34Å; K123-I125 PolarHBondContact O-N 3.04Å; I125-V127 HydrophobicContact CD1-CG1 3.99Å; I125-S494 WeakPolarHBondContact CG1-OG 3.21Å; I125-S494 PolarHBondContact N-O 3.19Å; I125-S494 CarbonylContact O-C 3.57Å; I125-S494 WeakPolarHBondContact O-CA 3.48Å; I125-S494 PolarHBondContact O-N 3Å; I125-S494 PolarHBondContact O-OG 2.85Å; I125-V496 HydrophobicContact CD1-CG2 3.46Å; I125-V496 VanDerWaalsContact CD1-CG2 3.46Å; I125-V496 HydrophobicContact CG1-CG2 3.89Å; I125-V496 HydrophobicContact CG2-CG2 4.37Å; I125-T812 HydrophobicContact CD1-CG2 4.33Å
126	Y	97.7	Very high	96.1	Very high	120 Å²	120	47.5 Å²	47.5	47%	0.471	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	144.1	168.7	-75.2	-100.1	0	0	0	110	V492 K493 Q801	Y126-V492 WeakPolarHBondContact CA-O 3.36Å; Y126-V492 WeakPolarHBondContact CD1-O 3.28Å; Y126-K493 HydrophobicContact CE1-CB 3.96Å; Y126-Q801 VanDerWaalsContact O-CG 3.3Å; Y126-Q801 WeakPolarHBondContact O-CG 3.28Å
127	V	98.2	Very high	96.2	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	143.2	173.3	-64.5	0	0	0	0	109.6	I125 D491 V492 L798 K799 V808 T812 V814	I125-V127 HydrophobicContact CD1-CG1 3.99Å; V127-D491 WeakPolarHBondContact O-CA 3.36Å; V127-V492 HydrophobicContact CG2-CG2 3.61Å; V127-V492 PolarHBondContact N-O 3.37Å; V127-V492 VanDerWaalsContact N-O 3.1Å; V127-V492 PolarHBondContact O-N 3.19Å; V127-L798 HydrophobicContact CG2-CD2 4.17Å; V127-K799 WeakPolarHBondContact CA-O 3.42Å; V127-V808 HydrophobicContact CG1-CG1 3.89Å; V127-T812 HydrophobicContact CG1-CG2 4.16Å; V127-V814 HydrophobicContact CG2-CG2 3.98Å
128	T	98.4	Very high	96.6	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.018	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	132.4	169.7	-48.3	0	0	0	0	108.8	F461 P489 V490 D491 K799 Q801	T128-F461 HydrophobicContact CG2-CD1 3.95Å; T128-F461 HydrophobicContact CG2-CE1 3.7Å; T128-F461 WeakPolarHBondContact O-CZ 3.25Å; T128-P489 HydrophobicContact CG2-CB 3.66Å; T128-P489 HydrophobicContact CG2-CG 3.46Å; T128-P489 VanDerWaalsContact CG2-CG 3.46Å; T128-V490 WeakPolarHBondContact CA-O 3.46Å; T128-D491 VanDerWaalsContact CA-OD1 3.27Å; T128-D491 WeakPolarHBondContact CA-OD1 3.44Å; T128-D491 WeakPolarHBondContact CB-OD1 3.44Å; T128-D491 WeakPolarHBondContact CG2-OD1 3.36Å; T128-D491 PolarHBondContact OG1-OD1 3.36Å; T128-K799 PolarHBondContact N-O 2.84Å; T128-K799 PolarHBondContact O-N 2.82Å; T128-K799 WeakPolarHBondContact OG1-CE 3.25Å; T128-K799 PolarHBondContact OG1-NZ 3.38Å; T128-Q801 PolarHBondContact OG1-NE2 3.21Å
129	V	98.5	Very high	96.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	145.2	176.7	-170.5	0	0	0	0	108.8	C131 P489 V490 V492 I796 L798 I818	V129-C131 HydrophobicContact CG1-CB 4.34Å; V129-C131 PolarHBondContact O-N 2.89Å; V129-P489 VanDerWaalsContact O-CB 3.24Å; V129-P489 WeakPolarHBondContact O-CB 3.43Å; V129-V490 HydrophobicContact CB-CG2 4.22Å; V129-V490 PolarHBondContact N-O 2.74Å; V129-V492 HydrophobicContact CG2-CB 4.24Å; V129-V492 HydrophobicContact CG2-CG1 3.76Å; V129-V492 HydrophobicContact CG2-CG2 3.42Å; V129-V492 VanDerWaalsContact CG2-CG2 3.42Å; V129-I796 HydrophobicContact CG1-CD1 4.32Å; V129-I796 HydrophobicContact CG1-CG2 4.05Å; V129-L798 HydrophobicContact CG1-CD2 4.35Å; V129-L798 HydrophobicContact CG2-CD2 3.86Å; V129-I818 HydrophobicContact CB-CG2 4.37Å; V129-I818 HydrophobicContact CG1-CD1 4.07Å; V129-I818 HydrophobicContact CG1-CG2 4.19Å; V129-I818 HydrophobicContact CG2-CD1 4.14Å; V129-I818 HydrophobicContact CG2-CG2 4.24Å
130	N	97.9	Very high	96.9	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-72.7	48.3	175.5	67.2	-29.6	0	0	0	113.2	W132 N313 L314 F461 L464 H795 I796 R797	N130-W132 HydrophobicContact CB-CZ3 4.16Å; N130-W132 WeakPolarHBondContact O-CZ3 3.49Å; N130-N313 VanDerWaalsContact CG-ND2 3.27Å; N130-N313 PolarHBondContact ND2-ND2 3.14Å; N130-N313 WeakPolarHBondContact O-CA 3.31Å; N130-N313 PolarHBondContact O-ND2 3.39Å; N130-N313 PolarHBondContact OD1-ND2 2.97Å; N130-N313 VanDerWaalsContact OD1-ND2 3.11Å; N130-L314 WeakPolarHBondContact CB-O 3.09Å; N130-L314 PolarHBondContact ND2-O 2.78Å; N130-L314 PolarHBondContact O-N 3.17Å; N130-F461 HydrophobicContact CB-CE1 4.02Å; N130-F461 HydrophobicContact CB-CZ 3.87Å; N130-L464 HydrophobicContact CB-CD1 3.78Å; N130-H795 PolarHBondContact ND2-O 3.23Å; N130-I796 WeakPolarHBondContact OD1-CA 3.44Å; N130-R797 HydrophobicContact CB-CB 4.48Å; N130-R797 PolarHBondContact N-O 3.09Å; N130-R797 PolarHBondContact OD1-N 2.77Å; N130-R797 PolarHBondContact OD1-O 2.96Å
131	C	98.3	Very high	96.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	140.5	176.3	-65.2	0	0	0	0	109.3	V129 R311 V312 P489 V490 I796	V129-C131 HydrophobicContact CG1-CB 4.34Å; V129-C131 PolarHBondContact O-N 2.89Å; C131-R311 HydrophobicContact CB-CB 4.28Å; C131-V312 CarbonylContact C-O 3.58Å; C131-V312 VanDerWaalsContact CA-O 3.27Å; C131-V312 WeakPolarHBondContact CA-O 3.17Å; C131-P489 CarbonylContact O-C 3.03Å; C131-P489 VanDerWaalsContact O-CA 3.27Å; C131-P489 WeakPolarHBondContact O-CA 3.48Å; C131-V490 HydrophobicContact CB-CG2 3.95Å; C131-V490 WeakPolarHBondContact O-CG2 3.45Å; C131-V490 PolarHBondContact O-N 3.29Å; C131-I796 VanDerWaalsContact SG-CD1 3.56Å
132	W	97.4	Very high	97	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.8	176.2	-74.3	-105.7	0	0	0	109	N130 F134 R311 V312 L314 L464 V465 T468 I485 Q488 P489	N130-W132 HydrophobicContact CB-CZ3 4.16Å; N130-W132 WeakPolarHBondContact O-CZ3 3.49Å; W132-F134 PolarHBondContact O-N 3.31Å; W132-R311 CarbonylContact O-C 3.55Å; W132-R311 WeakPolarHBondContact O-CA 3.46Å; W132-R311 WeakPolarHBondContact O-CB 3.4Å; W132-V312 PolarHBondContact N-O 2.78Å; W132-V312 PolarHBondContact O-N 3.02Å; W132-L314 HydrophobicContact CD2-CD1 4.14Å; W132-L314 HydrophobicContact CE3-CB 4.15Å; W132-L314 HydrophobicContact CE3-CD1 3.71Å; W132-L314 HydrophobicContact CE3-CG 3.95Å; W132-L314 HydrophobicContact CH2-CB 4.46Å; W132-L314 HydrophobicContact CH2-CD1 4.39Å; W132-L314 HydrophobicContact CZ3-CB 3.71Å; W132-L314 HydrophobicContact CZ3-CD1 3.87Å; W132-L314 HydrophobicContact CZ3-CG 4.02Å; W132-L464 HydrophobicContact CH2-CB 3.69Å; W132-L464 HydrophobicContact CH2-CD1 4.24Å; W132-L464 HydrophobicContact CZ2-CB 4.3Å; W132-V465 HydrophobicContact CZ2-CG2 4.19Å; W132-T468 HydrophobicContact CD2-CG2 4.14Å; W132-T468 HydrophobicContact CZ2-CG2 4.14Å; W132-I485 HydrophobicContact CB-CG2 3.65Å; W132-I485 HydrophobicContact CG-CG2 4.09Å; W132-Q488 VanDerWaalsContact NE1-C 3.27Å; W132-P489 HydrophobicContact CD2-CB 4.21Å; W132-P489 HydrophobicContact CH2-CB 3.96Å; W132-P489 HydrophobicContact CH2-CG 4.47Å; W132-P489 HydrophobicContact CZ2-CB 3.68Å; W132-P489 HydrophobicContact CZ2-CG 3.93Å; W132-P489 HydrophobicContact CZ3-CB 4.37Å
133	D	97.2	Very high	97	Very high	45 Å²	45	43.7 Å²	43.7	24%	0.241	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	132.7	171.9	-78.9	-0.1	0	0	0	109.4	K309 R311 A486 V490	D133-K309 WeakPolarHBondContact OD2-CD 3.45Å; D133-K309 IonicContact OD2-NZ 3.43Å; D133-K309 PolarHBondContact OD2-NZ 3.01Å; D133-R311 WeakPolarHBondContact OD1-CD 3.35Å; D133-R311 IonicContact OD1-CZ 3.57Å; D133-R311 IonicContact OD1-NE 3.73Å; D133-R311 PolarHBondContact OD1-NE 2.86Å; D133-R311 IonicContact OD1-NH2 3.04Å; D133-A486 HydrophobicContact CB-CB 4.2Å; D133-A486 PolarHBondContact O-N 3.19Å; D133-V490 WeakPolarHBondContact OD1-CG1 3.42Å
134	F	96.5	Very high	97	Very high	12 Å²	12	37.8 Å²	37.8	5%	0.053	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.9	-177	-178.2	-109.2	0	0	0	110	W132 I136 L260 L264 I304 V310 V312 A483 K484 I485	W132-F134 PolarHBondContact O-N 3.31Å; F134-I136 HydrophobicContact CE1-CB 3.86Å; F134-I136 HydrophobicContact CE1-CD1 4.49Å; F134-I136 HydrophobicContact CE1-CG2 4.04Å; F134-I136 HydrophobicContact CZ-CB 4.07Å; F134-I136 HydrophobicContact CZ-CD1 4.3Å; F134-L260 HydrophobicContact CE1-CD1 4.27Å; F134-L260 HydrophobicContact CE1-CD2 4.44Å; F134-L264 HydrophobicContact CE2-CD2 4.34Å; F134-I304 HydrophobicContact CD1-CD1 3.77Å; F134-I304 HydrophobicContact CE1-CD1 3.98Å; F134-I304 HydrophobicContact CG-CD1 4.11Å; F134-I304 HydrophobicContact CZ-CD1 4.49Å; F134-V310 HydrophobicContact CB-CG1 4.41Å; F134-V310 HydrophobicContact CD1-CG1 3.85Å; F134-V310 PolarHBondContact N-O 3.34Å; F134-V312 HydrophobicContact CB-CG2 3.8Å; F134-V312 HydrophobicContact CD2-CG2 3.74Å; F134-V312 HydrophobicContact CG-CG2 3.89Å; F134-A483 HydrophobicContact CE2-CB 4.15Å; F134-A483 HydrophobicContact CZ-CB 4.14Å; F134-K484 WeakPolarHBondContact CA-O 3.32Å; F134-K484 VanDerWaalsContact CD2-O 3.29Å; F134-K484 WeakPolarHBondContact CD2-O 3.49Å; F134-I485 HydrophobicContact CD2-CG1 3.77Å; F134-I485 HydrophobicContact CE2-CG1 4.13Å
135	S	95.6	Very high	96.9	Very high	61 Å²	61	38.6 Å²	38.6	43%	0.427	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	149.5	169.6	63.1	0	0	0	0	110.9	A483 K484	S135-A483 CarbonylContact O-C 3.47Å; S135-A483 VanDerWaalsContact O-CA 3.31Å; S135-A483 WeakPolarHBondContact O-CA 3.26Å; S135-K484 PolarHBondContact N-O 3.03Å; S135-K484 PolarHBondContact O-N 3.44Å
136	I	95.4	Very high	96.8	Very high	29 Å²	29	36.8 Å²	36.8	15%	0.149	18%	0.176	C	C	.	.			trans	-146.3	144.6	179.4	-166.4	169.4	0	0	0	108.7	F134 T235 L260 I263 F481 A483	F134-I136 HydrophobicContact CE1-CB 3.86Å; F134-I136 HydrophobicContact CE1-CD1 4.49Å; F134-I136 HydrophobicContact CE1-CG2 4.04Å; F134-I136 HydrophobicContact CZ-CB 4.07Å; F134-I136 HydrophobicContact CZ-CD1 4.3Å; I136-T235 HydrophobicContact CD1-CG2 4.01Å; I136-L260 HydrophobicContact CD1-CD2 3.38Å; I136-L260 HydrophobicContact CG2-CD2 4.35Å; I136-I263 HydrophobicContact CD1-CD1 4.32Å; I136-F481 HydrophobicContact CD1-CB 3.75Å; I136-F481 HydrophobicContact CD1-CD1 4.24Å; I136-F481 HydrophobicContact CD1-CG 4.13Å; I136-F481 HydrophobicContact CG1-CB 3.73Å; I136-F481 WeakPolarHBondContact CG1-O 3.33Å; I136-A483 HydrophobicContact CD1-CB 4.4Å; I136-A483 HydrophobicContact CG1-CB 4.13Å
137	K	95.4	Very high	96.7	Very high	108 Å²	108	36.3 Å²	36.3	47%	0.47	18%	0.178	S	C	.	.			trans	-70.6	137.5	176.5	-177.8	176.3	176.9	178.1	0	109.9	K139 T235 F481 Q482	K137-K139 PolarHBondContact O-N 3.45Å; K137-T235 PolarHBondContact O-OG1 3.1Å; K137-F481 VanDerWaalsContact CB-O 3.3Å; K137-F481 WeakPolarHBondContact CB-O 3.47Å; K137-F481 PolarHBondContact N-O 2.9Å; K137-Q482 HydrophobicContact CB-CB 4.08Å; K137-Q482 HydrophobicContact CB-CG 4.47Å; K137-Q482 HydrophobicContact CD-CG 4.26Å
138	P	96	Very high	96.4	Very high	78 Å²	78	37 Å²	37	51%	0.506	18%	0.183	S	C	.	.			trans	-55	123.6	171	-27.1	35.3	0	0	0	111.3	D236	P138-D236 HydrophobicContact CB-CB 3.86Å; P138-D236 HydrophobicContact CG-CB 4.16Å
139	K	95.3	Very high	96.2	Very high	59 Å²	59	39.1 Å²	39.1	26%	0.257	19%	0.194	S	C	.	.			trans	-154	138.5	176.9	-168.7	164.6	-174.1	173.2	0	109.8	K137 T235 F481	K137-K139 PolarHBondContact O-N 3.45Å; K139-T235 PolarHBondContact N-OG1 2.98Å; K139-T235 PolarHBondContact O-N 3.15Å; K139-T235 PolarHBondContact O-OG1 3.05Å; K139-F481 HydrophobicContact CB-CD1 4.18Å; K139-F481 HydrophobicContact CB-CE1 4.15Å; K139-F481 HydrophobicContact CD-CD1 4.19Å; K139-F481 HydrophobicContact CD-CE1 3.96Å; K139-F481 HydrophobicContact CG-CE1 4.28Å
140	I	96.9	Very high	95.9	Very high	83 Å²	83	39.4 Å²	39.4	43%	0.426	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	132.1	169.4	-57.2	-56.5	0	0	0	108.8	T232	I140-T232 HydrophobicContact CG2-CG2 3.94Å
141	V	97.1	Very high	95.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	139	179.3	-177.5	0	0	0	0	108.5	Y193 S194 T232 V233 T235 L259 F481	V141-Y193 HydrophobicContact CG1-CD1 4.47Å; V141-S194 VanDerWaalsContact CG1-O 3.31Å; V141-S194 WeakPolarHBondContact CG1-O 3.36Å; V141-T232 CarbonylContact O-C 3.44Å; V141-T232 WeakPolarHBondContact O-CA 2.99Å; V141-V233 PolarHBondContact N-O 3.4Å; V141-V233 PolarHBondContact O-N 3.25Å; V141-T235 HydrophobicContact CG2-CG2 4.03Å; V141-L259 HydrophobicContact CB-CD2 3.82Å; V141-L259 HydrophobicContact CG1-CD1 3.99Å; V141-L259 HydrophobicContact CG1-CD2 4.15Å; V141-L259 HydrophobicContact CG2-CD2 3.83Å; V141-F481 HydrophobicContact CG2-CE1 3.51Å; V141-F481 HydrophobicContact CG2-CZ 3.73Å
142	Y	97	Very high	95.4	Very high	47 Å²	47	41.7 Å²	41.7	18%	0.184	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	124.2	-179.8	-57.1	-83.3	0	0	0	109.5	Y144 Y193 S194 R197 T232	Y142-Y144 WeakPolarHBondContact O-CD2 3.47Å; Y142-Y144 WeakPolarHBondContact O-CE2 3.06Å; Y142-Y193 WeakPolarHBondContact O-CA 3.31Å; Y142-S194 PolarHBondContact N-O 3.42Å; Y142-S194 PolarHBondContact O-N 3.45Å; Y142-R197 HydrophobicContact CD1-CG 3.87Å; Y142-R197 HydrophobicContact CD2-CG 4.05Å; Y142-R197 HydrophobicContact CE1-CG 3.67Å; Y142-R197 HydrophobicContact CE2-CG 3.83Å; Y142-R197 HydrophobicContact CG-CG 4.06Å; Y142-T232 HydrophobicContact CD1-CG2 3.7Å; Y142-T232 HydrophobicContact CE1-CG2 3.77Å
143	M	97.1	Very high	94.9	Very high	8 Å²	8	46.1 Å²	46.1	4%	0.039	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	128.5	177.2	-179.9	-171.1	176.4	0	0	109.7	D191 Y193 V230 Q231 V233	M143-D191 HydrophobicContact CE-CB 3.89Å; M143-D191 VanDerWaalsContact CE-OD1 3.31Å; M143-D191 WeakPolarHBondContact CE-OD1 3.4Å; M143-Y193 HydrophobicContact CB-CD1 3.9Å; M143-Y193 HydrophobicContact CB-CE1 3.91Å; M143-Y193 HydrophobicContact CG-CD1 4.03Å; M143-Y193 HydrophobicContact CG-CE1 3.64Å; M143-Y193 HydrophobicContact SD-CE1 4.11Å; M143-V230 PolarHBondContact O-N 2.98Å; M143-Q231 HydrophobicContact CB-CG 4.12Å; M143-Q231 WeakPolarHBondContact CB-O 3.26Å; M143-Q231 PolarHBondContact N-O 2.85Å; M143-Q231 HydrophobicContact SD-CG 3.71Å; M143-Q231 PolarHBondContact SD-NE2 2.82Å; M143-V233 HydrophobicContact CB-CG2 4.33Å
144	Y	96.9	Very high	94.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	146.6	176.9	-56.4	-95.2	0	0	0	110.4	Y142 D191 I192 R197 L198 I201 M228 E229	Y142-Y144 WeakPolarHBondContact O-CD2 3.47Å; Y142-Y144 WeakPolarHBondContact O-CE2 3.06Å; Y144-D191 WeakPolarHBondContact O-CA 3.23Å; Y144-I192 PolarHBondContact N-O 3.25Å; Y144-I192 PolarHBondContact O-N 2.77Å; Y144-R197 WeakPolarHBondContact OH-CA 3.5Å; Y144-L198 HydrophobicContact CD1-CD1 4.05Å; Y144-L198 HydrophobicContact CD2-CD1 3.86Å; Y144-L198 HydrophobicContact CD2-CG 4.35Å; Y144-L198 HydrophobicContact CE1-CB 4.09Å; Y144-L198 HydrophobicContact CE1-CD1 4.05Å; Y144-L198 HydrophobicContact CE1-CG 4.19Å; Y144-L198 HydrophobicContact CE2-CD1 3.86Å; Y144-L198 HydrophobicContact CE2-CG 3.84Å; Y144-L198 HydrophobicContact CG-CD1 3.97Å; Y144-L198 PolarHBondContact OH-N 3.19Å; Y144-I201 HydrophobicContact CD1-CB 4.47Å; Y144-I201 HydrophobicContact CD1-CG2 3.65Å; Y144-I201 HydrophobicContact CE1-CB 4.16Å; Y144-I201 HydrophobicContact CE1-CG2 3.77Å; Y144-M228 CarbonylContact C-O 3.45Å; Y144-M228 WeakPolarHBondContact CA-O 3.4Å; Y144-M228 WeakPolarHBondContact CB-O 3.39Å; Y144-E229 HydrophobicContact CD1-CB 3.91Å; Y144-E229 HydrophobicContact CE1-CB 3.76Å; Y144-E229 HydrophobicContact CE1-CG 4.19Å
145	R	95.6	Very high	93.1	Very high	119 Å²	119	47.9 Å²	47.9	45%	0.449	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	127	169.8	-173.8	82.7	74.7	105.8	3.6	108.7	D191 L227 M228 V230	R145-D191 IonicContact NE-OD1 4Å; R145-L227 WeakPolarHBondContact O-CA 3.25Å; R145-M228 HydrophobicContact CB-CG 3.95Å; R145-M228 PolarHBondContact N-O 3.13Å; R145-M228 PolarHBondContact O-N 2.86Å; R145-M228 VanDerWaalsContact O-N 3.12Å; R145-V230 HydrophobicContact CB-CG2 3.59Å
146	A	94.8	Very high	91.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129.6	172.6	0	0	0	0	0	111	I173 H190 I192 H226 L227	A146-I173 HydrophobicContact CB-CD1 4.19Å; A146-I173 HydrophobicContact CB-CG2 3.64Å; A146-H190 PolarHBondContact N-O 3.18Å; A146-H190 PolarHBondContact O-ND1 3.04Å; A146-I192 HydrophobicContact CB-CD1 3.81Å; A146-I192 HydrophobicContact CB-CG1 4.41Å; A146-H226 WeakPolarHBondContact CA-O 3.17Å; A146-L227 HydrophobicContact CB-CD2 3.64Å
147	E	94.3	Very high	90.4	Very high	109 Å²	109	55 Å²	55	51%	0.509	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	128.1	178	-174.6	168.3	-176.9	0	0	111.3	L149 Y225 H226	E147-L149 HydrophobicContact CG-CD2 4.45Å; E147-Y225 CarbonylContact O-C 3.5Å; E147-Y225 WeakPolarHBondContact O-CA 3.13Å; E147-Y225 VanDerWaalsContact O-CB 3.29Å; E147-Y225 WeakPolarHBondContact O-CB 3.25Å; E147-H226 PolarHBondContact N-O 2.84Å; E147-H226 PolarHBondContact O-N 2.98Å
148	A	93.2	Very high	89.5	Confident	15 Å²	15	57.1 Å²	57.1	12%	0.124	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	114.9	177.3	0	0	0	0	0	109.2	K169 I173 L223	A148-K169 HydrophobicContact CB-CB 3.98Å; A148-K169 WeakPolarHBondContact CB-O 3.4Å; A148-I173 HydrophobicContact CB-CD1 3.82Å; A148-I173 HydrophobicContact CB-CG1 4.04Å; A148-L223 HydrophobicContact CB-CD1 3.97Å
149	L	93.4	Very high	88.9	Confident	48 Å²	48	56.3 Å²	56.3	25%	0.251	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-61.8	-177.5	-57	179.4	0	0	0	110.8	E147 K169 E207 K224 H226	E147-L149 HydrophobicContact CG-CD2 4.45Å; L149-K169 PolarHBondContact O-NZ 3.44Å; L149-E207 HydrophobicContact CD1-CG 4.45Å; L149-K224 HydrophobicContact CB-CG 4.31Å; L149-K224 WeakPolarHBondContact CB-O 3.22Å; L149-K224 HydrophobicContact CD1-CG 3.99Å; L149-K224 PolarHBondContact N-O 2.7Å; L149-H226 WeakPolarHBondContact CD1-CD2 3.35Å; L149-H226 WeakPolarHBondContact CD1-NE2 3.36Å
150	A	93.1	Very high	88.6	Confident	7 Å²	7	57.3 Å²	57.3	6%	0.058	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	155.1	-171.6	0	0	0	0	0	110.9	Y152 E161 K224	A150-Y152 HydrophobicContact CB-CE2 4Å; A150-E161 HydrophobicContact CB-CG 4.33Å; A150-K224 HydrophobicContact CB-CB 4.45Å; A150-K224 PolarHBondContact N-O 3.07Å; A150-K224 PolarHBondContact O-N 2.95Å
151	V	92.3	Very high	88.3	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	129	173.6	-179.3	0	0	0	0	107.5	E161 I162 M164 L172 I212 L221 V222 L223	V151-E161 CarbonylContact O-C 3.59Å; V151-E161 WeakPolarHBondContact O-CA 3.26Å; V151-I162 HydrophobicContact CG1-CD1 4.26Å; V151-I162 PolarHBondContact O-N 3.44Å; V151-M164 HydrophobicContact CB-CE 3.62Å; V151-M164 HydrophobicContact CB-SD 4.24Å; V151-M164 HydrophobicContact CG1-CE 3.73Å; V151-M164 HydrophobicContact CG2-CE 3.62Å; V151-M164 HydrophobicContact CG2-SD 3.65Å; V151-L172 HydrophobicContact CG2-CD1 3.58Å; V151-I212 HydrophobicContact CG1-CD1 4.31Å; V151-L221 HydrophobicContact CG1-CD2 4.47Å; V151-V222 CarbonylContact C-O 3.59Å; V151-V222 WeakPolarHBondContact CA-O 3.42Å; V151-L223 HydrophobicContact CG2-CD1 3.77Å
152	Y	92.4	Very high	87.8	Confident	48 Å²	48	60.5 Å²	60.5	19%	0.188	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	144.6	179.3	-59.2	-78.5	0	0	0	110.8	A150 R159 T160 E161 L221 V222 K224	A150-Y152 HydrophobicContact CB-CE2 4Å; Y152-R159 HydrophobicContact CD1-CB 4.25Å; Y152-R159 HydrophobicContact CG-CB 4.37Å; Y152-T160 CarbonylContact C-O 3.55Å; Y152-T160 WeakPolarHBondContact CA-O 3.37Å; Y152-E161 HydrophobicContact CD1-CB 3.99Å; Y152-E161 HydrophobicContact CD1-CG 4.41Å; Y152-E161 HydrophobicContact CE1-CB 3.92Å; Y152-E161 HydrophobicContact CE1-CG 4.18Å; Y152-L221 CarbonylContact O-C 3.58Å; Y152-L221 WeakPolarHBondContact O-CA 3.47Å; Y152-V222 PolarHBondContact N-O 3.43Å; Y152-V222 PolarHBondContact O-N 3.19Å; Y152-K224 HydrophobicContact CE2-CB 3.9Å; Y152-K224 HydrophobicContact CE2-CD 4.06Å
153	R	88	Confident	87.2	Confident	93 Å²	93	69.8 Å²	69.8	35%	0.351	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.7	165	179.3	-176.9	-68.2	153.9	-3.3	109	R159 T160 I162 D219 L221	R153-R159 WeakPolarHBondContact O-CA 3.5Å; R153-T160 PolarHBondContact N-O 2.93Å; R153-T160 PolarHBondContact O-N 3.28Å; R153-I162 HydrophobicContact CB-CD1 4.05Å; R153-I162 HydrophobicContact CB-CG1 4.1Å; R153-D219 HydrophobicContact CG-CB 4.15Å; R153-D219 IonicContact CZ-OD1 3.94Å; R153-D219 IonicContact CZ-OD2 3.99Å; R153-D219 IonicContact NE-OD1 3.19Å; R153-D219 PolarHBondContact NE-OD1 3.19Å; R153-D219 VanDerWaalsContact NE-OD1 3.15Å; R153-D219 IonicContact NE-OD2 3.66Å; R153-D219 PolarHBondContact NE-OD2 2.95Å; R153-D219 IonicContact NH2-OD2 3.82Å; R153-D219 PolarHBondContact NH2-OD2 3.09Å; R153-L221 HydrophobicContact CB-CD2 4.49Å
154	G	82.1	Confident	86.6	Confident	18 Å²	18	72.1 Å²	72.1	19%	0.186	36%	0.357	C	S	.	.	S	Bend	trans	104.1	169.3	174.7	0	0	0	0	0	114.7	R159 N220	G154-R159 WeakPolarHBondContact O-CG 3.42Å; G154-R159 PolarHBondContact O-NE 3.08Å; G154-N220 PolarHBondContact N-O 2.69Å
155	D	72.7	Confident	86	Confident	76 Å²	76	74.3 Å²	74.3	41%	0.406	37%	0.372	S	S	.	.			trans	-85.1	165.9	177.2	-65.6	-63.3	0	0	0	111.9	G157 N158 R159 K211	D155-G157 PolarHBondContact O-N 3.22Å; D155-N158 PolarHBondContact O-N 3.41Å; D155-N158 VanDerWaalsContact O-N 3.11Å; D155-R159 WeakPolarHBondContact O-CG 3.4Å; D155-K211 IonicContact OD1-NZ 2.71Å; D155-K211 PolarHBondContact OD1-NZ 2.8Å
156	E	67.4	Low	85.5	Confident	166 Å²	166	72.1 Å²	72.1	78%	0.776	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.2	-27.9	-162.2	-72.3	176.5	177.9	0	0	117.1	R159	E156-R159 IonicContact OE1-NH2 3.39Å
157	G	67.6	Low	85	Confident	72 Å²	72	78.7 Å²	78.7	74%	0.742	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-21.4	-176.5	0	0	0	0	0	117	D155	D155-G157 PolarHBondContact O-N 3.22Å
158	N	77.4	Confident	84.5	Confident	154 Å²	154	76.3 Å²	76.3	82%	0.824	40%	0.399	S	S	*	.	S	Bend	trans	-143.3	66.8	-175.2	-91.3	-23.9	0	0	0	110.8	D155	D155-N158 PolarHBondContact O-N 3.41Å; D155-N158 VanDerWaalsContact O-N 3.11Å
159	R	83.3	Confident	84.3	Confident	60 Å²	60	77.9 Å²	77.9	23%	0.226	40%	0.403	C	S	.	.			trans	-97.2	136.3	-176.1	-67.9	-170.2	175	163.3	0.4	112.4	Y152 R153 G154 D155 E156 E209	Y152-R159 HydrophobicContact CD1-CB 4.25Å; Y152-R159 HydrophobicContact CG-CB 4.37Å; R153-R159 WeakPolarHBondContact O-CA 3.5Å; G154-R159 WeakPolarHBondContact O-CG 3.42Å; G154-R159 PolarHBondContact O-NE 3.08Å; D155-R159 WeakPolarHBondContact O-CG 3.4Å; E156-R159 IonicContact OE1-NH2 3.39Å; R159-E209 IonicContact CZ-OE2 2.6Å; R159-E209 IonicContact NH1-OE1 3.67Å; R159-E209 IonicContact NH1-OE2 3.69Å; R159-E209 PolarHBondContact NH1-OE2 3.05Å
160	T	87.5	Confident	84	Confident	80 Å²	80	79.3 Å²	79.3	49%	0.491	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.8	171.2	50	0	0	0	0	110.1	Y152 R153 I162	Y152-T160 CarbonylContact C-O 3.55Å; Y152-T160 WeakPolarHBondContact CA-O 3.37Å; R153-T160 PolarHBondContact N-O 2.93Å; R153-T160 PolarHBondContact O-N 3.28Å; T160-I162 PolarHBondContact O-N 3.17Å
161	E	90.7	Very high	83.7	Confident	113 Å²	113	82.1 Å²	82.1	53%	0.528	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	126.7	177.4	-168.8	-173.7	165.8	0	0	110.6	A150 V151 Y152	A150-E161 HydrophobicContact CB-CG 4.33Å; V151-E161 CarbonylContact O-C 3.59Å; V151-E161 WeakPolarHBondContact O-CA 3.26Å; Y152-E161 HydrophobicContact CD1-CB 3.99Å; Y152-E161 HydrophobicContact CD1-CG 4.41Å; Y152-E161 HydrophobicContact CE1-CB 3.92Å; Y152-E161 HydrophobicContact CE1-CG 4.18Å
162	I	86.6	Confident	83.6	Confident	37 Å²	37	83.1 Å²	83.1	19%	0.19	43%	0.433	C	S	.	.			trans	-85.8	113.8	173.5	-55.6	-178.1	0	0	0	108.7	V151 R153 T160 M164 L221	V151-I162 HydrophobicContact CG1-CD1 4.26Å; V151-I162 PolarHBondContact O-N 3.44Å; R153-I162 HydrophobicContact CB-CD1 4.05Å; R153-I162 HydrophobicContact CB-CG1 4.1Å; T160-I162 PolarHBondContact O-N 3.17Å; I162-M164 HydrophobicContact CB-CE 4.23Å; I162-M164 HydrophobicContact CG2-CE 3.86Å; I162-M164 PolarHBondContact O-N 3.26Å; I162-L221 HydrophobicContact CD1-CD2 3.33Å
163	R	85.7	Confident	83.5	Confident	243 Å²	243	80.9 Å²	80.9	92%	0.917	42%	0.424	S	S	*	.			trans	-70.3	120	168.2	-70.1	-173.8	176.5	179.1	-0.2	110.2
164	M	84.7	Confident	83.6	Confident	56 Å²	56	81.7 Å²	81.7	28%	0.276	43%	0.431	S	S	.	.			trans	-143.8	159.1	175.8	50.1	167.5	80.8	0	0	110.7	V151 I162 K169 L172	V151-M164 HydrophobicContact CB-CE 3.62Å; V151-M164 HydrophobicContact CB-SD 4.24Å; V151-M164 HydrophobicContact CG1-CE 3.73Å; V151-M164 HydrophobicContact CG2-CE 3.62Å; V151-M164 HydrophobicContact CG2-SD 3.65Å; I162-M164 HydrophobicContact CB-CE 4.23Å; I162-M164 HydrophobicContact CG2-CE 3.86Å; I162-M164 PolarHBondContact O-N 3.26Å; M164-K169 HydrophobicContact CG-CD 4.01Å; M164-K169 HydrophobicContact CG-CG 3.37Å; M164-K169 HydrophobicContact SD-CB 4.29Å; M164-K169 HydrophobicContact SD-CD 4.44Å; M164-K169 HydrophobicContact SD-CG 3.42Å; M164-K169 WeakPolarHBondContact SD-CG 3.37Å; M164-L172 HydrophobicContact CE-CD1 4.25Å; M164-L172 HydrophobicContact SD-CD1 3.93Å
165	S	83.8	Confident	84	Confident	46 Å²	46	83 Å²	83	32%	0.322	43%	0.432	S	S	.	.			trans	-62.3	150.9	-179.3	79.1	0	0	0	0	111.3	K167 D168 K169	S165-K167 PolarHBondContact O-N 2.89Å; S165-K167 VanDerWaalsContact O-N 3.13Å; S165-D168 PolarHBondContact O-N 3.44Å; S165-D168 VanDerWaalsContact O-N 3.09Å; S165-D168 PolarHBondContact OG-N 3.05Å; S165-D168 VanDerWaalsContact OG-N 3.11Å; S165-D168 PolarHBondContact OG-OD2 3.42Å; S165-K169 PolarHBondContact O-N 3.26Å
166	A	85	Confident	85	Confident	73 Å²	73	79.4 Å²	79.4	60%	0.603	41%	0.413	S	S	*	.	H	α-helix	trans	-57.5	-29.3	176.2	0	0	0	0	0	112.6	R170	A166-R170 VanDerWaalsContact O-CB 3.3Å; A166-R170 WeakPolarHBondContact O-CB 3.43Å; A166-R170 PolarHBondContact O-N 2.83Å
167	K	83.3	Confident	86.1	Confident	139 Å²	139	71.6 Å²	71.6	60%	0.604	38%	0.376	S	S	*	.	H	α-helix	trans	-69.4	-45.6	176.1	-179.5	-178.3	175.9	-175	0	112	S165 R170 A171	S165-K167 PolarHBondContact O-N 2.89Å; S165-K167 VanDerWaalsContact O-N 3.13Å; K167-R170 PolarHBondContact O-N 2.93Å; K167-A171 PolarHBondContact O-N 3.25Å; K167-A171 VanDerWaalsContact O-N 3.12Å
168	D	84.3	Confident	87.1	Confident	58 Å²	58	73.1 Å²	73.1	31%	0.31	37%	0.367	S	S	.	.	H	α-helix	trans	-69.6	-39.2	179.4	-61.6	-44.4	0	0	0	110.3	S165 R170 A171 R354	S165-D168 PolarHBondContact O-N 3.44Å; S165-D168 VanDerWaalsContact O-N 3.09Å; S165-D168 PolarHBondContact OG-N 3.05Å; S165-D168 VanDerWaalsContact OG-N 3.11Å; S165-D168 PolarHBondContact OG-OD2 3.42Å; D168-R170 PolarHBondContact O-N 2.82Å; D168-A171 WeakPolarHBondContact O-CB 3.32Å; D168-A171 PolarHBondContact O-N 2.88Å; D168-R354 IonicContact OD1-NH1 3.15Å
169	K	88.6	Confident	87.8	Confident	48 Å²	48	69.1 Å²	69.1	21%	0.209	35%	0.351	C	S	.	.	H	α-helix	trans	-55.2	-51.5	170.3	-73	-161.3	-90.1	-178.6	0	112	A148 L149 M164 S165 A171 L172	A148-K169 HydrophobicContact CB-CB 3.98Å; A148-K169 WeakPolarHBondContact CB-O 3.4Å; L149-K169 PolarHBondContact O-NZ 3.44Å; M164-K169 HydrophobicContact CG-CD 4.01Å; M164-K169 HydrophobicContact CG-CG 3.37Å; M164-K169 HydrophobicContact SD-CB 4.29Å; M164-K169 HydrophobicContact SD-CD 4.44Å; M164-K169 HydrophobicContact SD-CG 3.42Å; M164-K169 WeakPolarHBondContact SD-CG 3.37Å; S165-K169 PolarHBondContact O-N 3.26Å; K169-A171 PolarHBondContact O-N 3.5Å; K169-L172 VanDerWaalsContact O-CB 3.31Å; K169-L172 WeakPolarHBondContact O-CB 3.49Å; K169-L172 PolarHBondContact O-N 3.16Å
170	R	87.4	Confident	88.1	Confident	79 Å²	79	68.8 Å²	68.8	30%	0.298	35%	0.354	S	S	.	.	H	α-helix	trans	-60.9	-32.6	-179.9	-177.5	177.3	58.8	-125.1	-8.9	112.6	A166 K167 D168 L172 I173 G189 H190	A166-R170 VanDerWaalsContact O-CB 3.3Å; A166-R170 WeakPolarHBondContact O-CB 3.43Å; A166-R170 PolarHBondContact O-N 2.83Å; K167-R170 PolarHBondContact O-N 2.93Å; D168-R170 PolarHBondContact O-N 2.82Å; R170-L172 PolarHBondContact O-N 2.93Å; R170-I173 WeakPolarHBondContact O-CB 3.34Å; R170-I173 PolarHBondContact O-N 2.95Å; R170-I173 VanDerWaalsContact O-N 3.17Å; R170-G189 VanDerWaalsContact CG-O 3.3Å; R170-G189 WeakPolarHBondContact CG-O 3.44Å; R170-H190 WeakPolarHBondContact CD-CE1 3.34Å; R170-H190 WeakPolarHBondContact CD-NE2 3.5Å
171	A	86.2	Confident	87.9	Confident	65 Å²	65	68.1 Å²	68.1	54%	0.537	35%	0.345	S	S	.	.	H	α-helix	trans	-62.2	-25.3	177.2	0	0	0	0	0	112.6	K167 D168 K169 I173 K174	K167-A171 PolarHBondContact O-N 3.25Å; K167-A171 VanDerWaalsContact O-N 3.12Å; D168-A171 WeakPolarHBondContact O-CB 3.32Å; D168-A171 PolarHBondContact O-N 2.88Å; K169-A171 PolarHBondContact O-N 3.5Å; A171-I173 VanDerWaalsContact C-N 3.35Å; A171-K174 WeakPolarHBondContact O-CB 3.34Å; A171-K174 PolarHBondContact O-N 3.08Å
172	L	89.9	Confident	87.5	Confident	22 Å²	22	69 Å²	69	12%	0.115	35%	0.353	C	S	.	.	H	α-helix	trans	-75.5	-19.7	178.6	-57.2	171.3	0	0	0	113.5	V151 M164 K169 R170 K174 Q175 I212 L223	V151-L172 HydrophobicContact CG2-CD1 3.58Å; M164-L172 HydrophobicContact CE-CD1 4.25Å; M164-L172 HydrophobicContact SD-CD1 3.93Å; K169-L172 VanDerWaalsContact O-CB 3.31Å; K169-L172 WeakPolarHBondContact O-CB 3.49Å; K169-L172 PolarHBondContact O-N 3.16Å; R170-L172 PolarHBondContact O-N 2.93Å; L172-K174 PolarHBondContact O-N 3.4Å; L172-Q175 WeakPolarHBondContact O-CB 3.47Å; L172-Q175 PolarHBondContact O-N 3.14Å; L172-I212 HydrophobicContact CD1-CD1 3.78Å; L172-I212 HydrophobicContact CD2-CD1 4Å; L172-I212 HydrophobicContact CG-CD1 4.32Å; L172-L223 HydrophobicContact CB-CD1 4.42Å; L172-L223 HydrophobicContact CB-CD2 4.03Å; L172-L223 HydrophobicContact CD1-CD1 4.42Å
173	I	91.7	Very high	87.4	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-57	-24.3	173.3	-67.4	-57.8	0	0	0	111.9	A146 A148 R170 A171 Q175 V176 A177 Y186	A146-I173 HydrophobicContact CB-CD1 4.19Å; A146-I173 HydrophobicContact CB-CG2 3.64Å; A148-I173 HydrophobicContact CB-CD1 3.82Å; A148-I173 HydrophobicContact CB-CG1 4.04Å; R170-I173 WeakPolarHBondContact O-CB 3.34Å; R170-I173 PolarHBondContact O-N 2.95Å; R170-I173 VanDerWaalsContact O-N 3.17Å; A171-I173 VanDerWaalsContact C-N 3.35Å; I173-Q175 VanDerWaalsContact C-N 3.25Å; I173-Q175 PolarHBondContact O-N 3.36Å; I173-V176 HydrophobicContact CD1-CG2 4.11Å; I173-V176 WeakPolarHBondContact O-CB 3.29Å; I173-V176 PolarHBondContact O-N 3.27Å; I173-V176 VanDerWaalsContact O-N 3.13Å; I173-A177 PolarHBondContact O-N 2.82Å; I173-Y186 HydrophobicContact CG2-CE2 3.85Å
174	K	89.3	Confident	87.7	Confident	111 Å²	111	56.9 Å²	56.9	48%	0.483	31%	0.307	S	S	.	.	H	α-helix	trans	-55.3	-42.1	172.1	-169	-168.4	169.7	-157.4	0	111.9	A171 L172 V176 A177 D178 Y186	A171-K174 WeakPolarHBondContact O-CB 3.34Å; A171-K174 PolarHBondContact O-N 3.08Å; L172-K174 PolarHBondContact O-N 3.4Å; K174-V176 VanDerWaalsContact C-N 3.33Å; K174-V176 PolarHBondContact O-N 3.35Å; K174-A177 PolarHBondContact O-N 3Å; K174-D178 WeakPolarHBondContact CE-OD2 3.46Å; K174-D178 WeakPolarHBondContact O-CB 3.07Å; K174-D178 PolarHBondContact O-N 3.32Å; K174-Y186 HydrophobicContact CB-CE1 3.96Å; K174-Y186 HydrophobicContact CG-CD1 4.36Å; K174-Y186 HydrophobicContact CG-CE1 4.24Å
175	Q	91.9	Very high	88.1	Confident	46 Å²	46	54.2 Å²	54.2	22%	0.215	29%	0.294	C	S	.	.	H	α-helix	trans	-66.8	-36.6	178.8	-59.6	-166.7	45.1	0	0	111.6	L172 I173 D178 S179 M210 I212 V213	L172-Q175 WeakPolarHBondContact O-CB 3.47Å; L172-Q175 PolarHBondContact O-N 3.14Å; I173-Q175 VanDerWaalsContact C-N 3.25Å; I173-Q175 PolarHBondContact O-N 3.36Å; Q175-D178 PolarHBondContact O-N 3.12Å; Q175-S179 WeakPolarHBondContact O-CB 3.3Å; Q175-S179 PolarHBondContact O-N 2.97Å; Q175-S179 PolarHBondContact O-OG 2.59Å; Q175-M210 HydrophobicContact CB-CE 4.47Å; Q175-I212 HydrophobicContact CB-CG2 4.28Å; Q175-V213 PolarHBondContact NE2-O 3.48Å
176	V	92.6	Very high	88.4	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.6	-54.4	171.8	-176.6	0	0	0	0	109.5	I173 K174 D178 S179 L180 M210 L223 Y225 L227	I173-V176 HydrophobicContact CD1-CG2 4.11Å; I173-V176 WeakPolarHBondContact O-CB 3.29Å; I173-V176 PolarHBondContact O-N 3.27Å; I173-V176 VanDerWaalsContact O-N 3.13Å; K174-V176 VanDerWaalsContact C-N 3.33Å; K174-V176 PolarHBondContact O-N 3.35Å; V176-D178 VanDerWaalsContact C-N 3.33Å; V176-D178 PolarHBondContact O-N 2.7Å; V176-S179 PolarHBondContact O-N 3.44Å; V176-S179 PolarHBondContact O-OG 2.95Å; V176-L180 PolarHBondContact O-N 3.41Å; V176-M210 VanDerWaalsContact CA-SD 3.52Å; V176-M210 HydrophobicContact CB-SD 3.92Å; V176-M210 HydrophobicContact CG1-SD 4.47Å; V176-M210 HydrophobicContact CG2-SD 3.39Å; V176-M210 WeakPolarHBondContact CG2-SD 3.3Å; V176-L223 HydrophobicContact CG2-CD2 3.55Å; V176-Y225 HydrophobicContact CG1-CD2 3.9Å; V176-Y225 HydrophobicContact CG1-CE1 4.3Å; V176-Y225 HydrophobicContact CG1-CE2 3.48Å; V176-Y225 VanDerWaalsContact CG1-CE2 3.48Å; V176-Y225 HydrophobicContact CG1-CG 4.47Å; V176-Y225 HydrophobicContact CG2-CD1 3.85Å; V176-Y225 HydrophobicContact CG2-CD2 4.2Å; V176-Y225 HydrophobicContact CG2-CE1 4.01Å; V176-Y225 HydrophobicContact CG2-CE2 4.35Å; V176-Y225 HydrophobicContact CG2-CG 3.94Å; V176-L227 HydrophobicContact CG1-CD1 4.28Å
177	A	91.1	Very high	88.6	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-59.5	-42.9	-178.4	0	0	0	0	0	112.5	I173 K174 S179 L180 I184 Y186 I192	I173-A177 PolarHBondContact O-N 2.82Å; K174-A177 PolarHBondContact O-N 3Å; A177-S179 PolarHBondContact O-N 3.42Å; A177-L180 PolarHBondContact O-N 3.4Å; A177-I184 HydrophobicContact CB-CG2 4.15Å; A177-Y186 HydrophobicContact CB-CD1 4.21Å; A177-Y186 HydrophobicContact CB-CD2 4.27Å; A177-Y186 HydrophobicContact CB-CG 3.88Å; A177-I192 HydrophobicContact CB-CD1 3.85Å; A177-I192 HydrophobicContact CB-CG1 4.23Å
178	D	88.8	Confident	88.6	Confident	105 Å²	105	45 Å²	45	56%	0.561	25%	0.248	S	C	*	.	H	α-helix	trans	-68.1	-23	178.8	-65.3	-15.8	0	0	0	111.9	K174 Q175 V176	K174-D178 WeakPolarHBondContact CE-OD2 3.46Å; K174-D178 WeakPolarHBondContact O-CB 3.07Å; K174-D178 PolarHBondContact O-N 3.32Å; Q175-D178 PolarHBondContact O-N 3.12Å; V176-D178 VanDerWaalsContact C-N 3.33Å; V176-D178 PolarHBondContact O-N 2.7Å
179	S	90.6	Very high	88.7	Confident	69 Å²	69	42.3 Å²	42.3	48%	0.483	23%	0.233	S	C	.	.	H	α-helix	trans	-85.4	-15.3	-180	73.4	0	0	0	0	115.5	Q175 V176 A177 M210	Q175-S179 WeakPolarHBondContact O-CB 3.3Å; Q175-S179 PolarHBondContact O-N 2.97Å; Q175-S179 PolarHBondContact O-OG 2.59Å; V176-S179 PolarHBondContact O-N 3.44Å; V176-S179 PolarHBondContact O-OG 2.95Å; A177-S179 PolarHBondContact O-N 3.42Å; S179-M210 WeakPolarHBondContact OG-CE 3.42Å
180	L	89.8	Confident	88.6	Confident	54 Å²	54	42.6 Å²	42.6	28%	0.283	24%	0.235	S	C	.	.	H	α-helix	trans	-72.1	-68.7	-173.5	-73.7	172	0	0	0	112.3	V176 A177 I184 I192 L198 L227	V176-L180 PolarHBondContact O-N 3.41Å; A177-L180 PolarHBondContact O-N 3.4Å; L180-I184 HydrophobicContact CB-CD1 4.35Å; L180-I184 HydrophobicContact CB-CG1 3.75Å; L180-I184 HydrophobicContact CD1-CD1 4.09Å; L180-I184 HydrophobicContact CD1-CG1 4.14Å; L180-I192 HydrophobicContact CD1-CD1 4.17Å; L180-I192 HydrophobicContact CD1-CG2 4.03Å; L180-L198 HydrophobicContact CD1-CD1 3.96Å; L180-L198 HydrophobicContact CD1-CD2 4.47Å; L180-L198 HydrophobicContact CD2-CD1 4.36Å; L180-L198 HydrophobicContact CD2-CD2 4.41Å; L180-L227 HydrophobicContact CD2-CD1 4.4Å
181	H	84.6	Confident	88.9	Confident	65 Å²	65	39.2 Å²	39.2	30%	0.301	22%	0.223	S	C	.	.			trans	-165.8	162.4	172.3	62.7	90.9	0	0	0	111.7	C183 I184 S194	H181-C183 PolarHBondContact ND1-N 3.28Å; H181-C183 PolarHBondContact O-N 2.82Å; H181-I184 WeakPolarHBondContact NE2-CD1 3.01Å; H181-I184 WeakPolarHBondContact NE2-CG1 3.4Å; H181-I184 PolarHBondContact O-N 3Å; H181-I184 VanDerWaalsContact O-N 3.11Å; H181-S194 PolarHBondContact CE1-OG 3.37Å; H181-S194 PolarHBondContact NE2-OG 3.44Å
182	D	80.8	Confident	89.4	Confident	132 Å²	132	36.1 Å²	36.1	71%	0.706	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-18.1	-171.4	-55.2	-23.6	0	0	0	116.4	R476	D182-R476 IonicContact OD2-NH1 3.74Å; D182-R476 PolarHBondContact OD2-NH1 3.48Å
183	C	86.2	Confident	89.7	Confident	8 Å²	8	35.1 Å²	35.1	5%	0.054	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	16.2	-177.4	-69.1	0	0	0	0	113.6	H181 R476 L477 L480	H181-C183 PolarHBondContact ND1-N 3.28Å; H181-C183 PolarHBondContact O-N 2.82Å; C183-R476 WeakPolarHBondContact SG-CD 3.43Å; C183-R476 WeakPolarHBondContact SG-CG 3.06Å; C183-R476 PolarHBondContact SG-NE 2.81Å; C183-L477 HydrophobicContact CB-CD2 4.06Å; C183-L477 WeakPolarHBondContact O-CD2 3.37Å; C183-L480 HydrophobicContact CB-CD2 4.04Å
184	I	91.9	Very high	89.8	Confident	17 Å²	17	35.1 Å²	35.1	9%	0.087	19%	0.192	C	C	.	.			trans	-67.4	138.1	172.6	-77.6	-60.6	0	0	0	111.2	A177 L180 H181 I192 L198	A177-I184 HydrophobicContact CB-CG2 4.15Å; L180-I184 HydrophobicContact CB-CD1 4.35Å; L180-I184 HydrophobicContact CB-CG1 3.75Å; L180-I184 HydrophobicContact CD1-CD1 4.09Å; L180-I184 HydrophobicContact CD1-CG1 4.14Å; H181-I184 WeakPolarHBondContact NE2-CD1 3.01Å; H181-I184 WeakPolarHBondContact NE2-CG1 3.4Å; H181-I184 PolarHBondContact O-N 3Å; H181-I184 VanDerWaalsContact O-N 3.11Å; I184-I192 HydrophobicContact CD1-CG2 3.8Å; I184-I192 HydrophobicContact CG2-CG2 3.81Å; I184-L198 HydrophobicContact CD1-CD2 4.31Å
185	I	92.8	Very high	90	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	116.8	171.8	-58.8	148.8	0	0	0	107.4	I192 Y193 L259 C262 I263 L477 F481	I185-I192 CarbonylContact O-C 3.56Å; I185-Y193 HydrophobicContact CB-CD2 4.44Å; I185-Y193 HydrophobicContact CG2-CD2 4.16Å; I185-Y193 PolarHBondContact N-O 2.72Å; I185-Y193 PolarHBondContact O-N 3.06Å; I185-L259 HydrophobicContact CD1-CD1 4Å; I185-C262 HydrophobicContact CG2-CB 3.37Å; I185-I263 HydrophobicContact CD1-CD1 3.97Å; I185-I263 HydrophobicContact CD1-CG1 3.46Å; I185-I263 VanDerWaalsContact CD1-CG1 3.46Å; I185-I263 HydrophobicContact CG1-CG1 4.01Å; I185-I263 HydrophobicContact CG2-CG1 4.39Å; I185-L477 HydrophobicContact CD1-CD2 4.2Å; I185-L477 HydrophobicContact CG1-CD1 3.86Å; I185-L477 HydrophobicContact CG1-CD2 3.88Å; I185-F481 HydrophobicContact CD1-CE2 3.96Å; I185-F481 HydrophobicContact CD1-CZ 4.25Å
186	Y	90.3	Very high	90.1	Very high	14 Å²	14	32.8 Å²	32.8	6%	0.055	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.8	179.2	176.9	-136.2	0	0	0	111.6	I173 K174 A177 G188 G189 D191 I192 R265	I173-Y186 HydrophobicContact CG2-CE2 3.85Å; K174-Y186 HydrophobicContact CB-CE1 3.96Å; K174-Y186 HydrophobicContact CG-CD1 4.36Å; K174-Y186 HydrophobicContact CG-CE1 4.24Å; A177-Y186 HydrophobicContact CB-CD1 4.21Å; A177-Y186 HydrophobicContact CB-CD2 4.27Å; A177-Y186 HydrophobicContact CB-CG 3.88Å; Y186-G188 VanDerWaalsContact CE1-CA 3.47Å; Y186-G188 PolarHBondContact O-N 3.32Å; Y186-G189 PolarHBondContact OH-N 2.86Å; Y186-G189 PolarHBondContact OH-O 3.37Å; Y186-G189 VanDerWaalsContact OH-O 3.06Å; Y186-D191 WeakPolarHBondContact CD2-O 3.38Å; Y186-I192 HydrophobicContact CD2-CG1 3.9Å; Y186-R265 PolarHBondContact O-NH2 3.14Å
187	D	88.1	Confident	90.2	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.032	21%	0.213	C	C	.	.			trans	-74	-13.3	-177.9	94.6	-42.3	0	0	0	113.9	G189 H190 D191 Y193 R258 R265	D187-G189 VanDerWaalsContact OD1-CA 3.24Å; D187-G189 WeakPolarHBondContact OD1-CA 3.46Å; D187-G189 PolarHBondContact OD1-N 2.89Å; D187-H190 PolarHBondContact OD1-N 3.26Å; D187-D191 HydrophobicContact CB-CB 4.09Å; D187-D191 WeakPolarHBondContact CB-O 3.23Å; D187-D191 PolarHBondContact N-O 3.41Å; D187-D191 PolarHBondContact OD1-N 3.22Å; D187-Y193 HydrophobicContact CB-CE2 4.37Å; D187-R258 IonicContact OD2-CZ 3.75Å; D187-R258 IonicContact OD2-NH2 3.93Å; D187-R258 PolarHBondContact OD2-NH2 3.34Å; D187-R265 VanDerWaalsContact C-NH2 3.27Å; D187-R265 PolarHBondContact O-NH1 3Å; D187-R265 PolarHBondContact O-NH2 3.26Å; D187-R265 VanDerWaalsContact O-NH2 3.14Å
188	G	84	Confident	90.3	Very high	45 Å²	45	40 Å²	40	46%	0.464	22%	0.215	S	C	.	.	S	Bend	trans	84.9	7.3	-174.2	0	0	0	0	0	114	Y186	Y186-G188 VanDerWaalsContact CE1-CA 3.47Å; Y186-G188 PolarHBondContact O-N 3.32Å
189	G	86	Confident	90.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-131.5	-83.6	-179.3	0	0	0	0	0	112.8	R170 Y186 D187	R170-G189 VanDerWaalsContact CG-O 3.3Å; R170-G189 WeakPolarHBondContact CG-O 3.44Å; Y186-G189 PolarHBondContact OH-N 2.86Å; Y186-G189 PolarHBondContact OH-O 3.37Å; Y186-G189 VanDerWaalsContact OH-O 3.06Å; D187-G189 VanDerWaalsContact OD1-CA 3.24Å; D187-G189 WeakPolarHBondContact OD1-CA 3.46Å; D187-G189 PolarHBondContact OD1-N 2.89Å
190	H	87.8	Confident	90.5	Very high	54 Å²	54	41 Å²	41	25%	0.25	24%	0.239	C	C	.	.	S	Bend	trans	-135.3	-21.1	-173.5	-63.7	-71.6	0	0	0	113.2	A146 R170 D187	A146-H190 PolarHBondContact N-O 3.18Å; A146-H190 PolarHBondContact O-ND1 3.04Å; R170-H190 WeakPolarHBondContact CD-CE1 3.34Å; R170-H190 WeakPolarHBondContact CD-NE2 3.5Å; D187-H190 PolarHBondContact OD1-N 3.26Å
191	D	93.5	Very high	90.6	Very high	9 Å²	9	39.8 Å²	39.8	5%	0.048	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.3	-167.2	-56.3	-39.5	0	0	0	109.1	M143 Y144 R145 Y186 D187 Y193 R258	M143-D191 HydrophobicContact CE-CB 3.89Å; M143-D191 VanDerWaalsContact CE-OD1 3.31Å; M143-D191 WeakPolarHBondContact CE-OD1 3.4Å; Y144-D191 WeakPolarHBondContact O-CA 3.23Å; R145-D191 IonicContact NE-OD1 4Å; Y186-D191 WeakPolarHBondContact CD2-O 3.38Å; D187-D191 HydrophobicContact CB-CB 4.09Å; D187-D191 WeakPolarHBondContact CB-O 3.23Å; D187-D191 PolarHBondContact N-O 3.41Å; D187-D191 PolarHBondContact OD1-N 3.22Å; D191-Y193 HydrophobicContact CB-CE2 4Å; D191-R258 IonicContact OD2-CZ 2.74Å; D191-R258 VanDerWaalsContact OD2-CZ 3.29Å; D191-R258 IonicContact OD2-NH1 2.95Å; D191-R258 PolarHBondContact OD2-NH1 2.96Å; D191-R258 IonicContact OD2-NH2 3.73Å; D191-R258 PolarHBondContact OD2-NH2 2.98Å
192	I	95.2	Very high	91.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131.7	177.2	-66.9	177.9	0	0	0	107.1	Y144 A146 A177 L180 I184 I185 Y186 L227	Y144-I192 PolarHBondContact N-O 3.25Å; Y144-I192 PolarHBondContact O-N 2.77Å; A146-I192 HydrophobicContact CB-CD1 3.81Å; A146-I192 HydrophobicContact CB-CG1 4.41Å; A177-I192 HydrophobicContact CB-CD1 3.85Å; A177-I192 HydrophobicContact CB-CG1 4.23Å; L180-I192 HydrophobicContact CD1-CD1 4.17Å; L180-I192 HydrophobicContact CD1-CG2 4.03Å; I184-I192 HydrophobicContact CD1-CG2 3.8Å; I184-I192 HydrophobicContact CG2-CG2 3.81Å; I185-I192 CarbonylContact O-C 3.56Å; Y186-I192 HydrophobicContact CD2-CG1 3.9Å; I192-L227 HydrophobicContact CD1-CD2 4.12Å
193	Y	96	Very high	91.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	135.8	176.9	-49.5	-99.2	0	0	0	110.2	V141 Y142 M143 I185 D187 D191 L259	V141-Y193 HydrophobicContact CG1-CD1 4.47Å; Y142-Y193 WeakPolarHBondContact O-CA 3.31Å; M143-Y193 HydrophobicContact CB-CD1 3.9Å; M143-Y193 HydrophobicContact CB-CE1 3.91Å; M143-Y193 HydrophobicContact CG-CD1 4.03Å; M143-Y193 HydrophobicContact CG-CE1 3.64Å; M143-Y193 HydrophobicContact SD-CE1 4.11Å; I185-Y193 HydrophobicContact CB-CD2 4.44Å; I185-Y193 HydrophobicContact CG2-CD2 4.16Å; I185-Y193 PolarHBondContact N-O 2.72Å; I185-Y193 PolarHBondContact O-N 3.06Å; D187-Y193 HydrophobicContact CB-CE2 4.37Å; D191-Y193 HydrophobicContact CB-CE2 4Å; Y193-L259 HydrophobicContact CD1-CB 4.41Å; Y193-L259 HydrophobicContact CD1-CD1 3.77Å; Y193-L259 HydrophobicContact CD2-CD1 4.27Å; Y193-L259 HydrophobicContact CE1-CB 4.26Å; Y193-L259 HydrophobicContact CE1-CD1 4.41Å; Y193-L259 HydrophobicContact CG-CD1 3.69Å
194	S	95.4	Very high	92.1	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.007	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140.5	175.4	-178.4	0	0	0	0	110.8	V141 Y142 H181 D196	V141-S194 VanDerWaalsContact CG1-O 3.31Å; V141-S194 WeakPolarHBondContact CG1-O 3.36Å; Y142-S194 PolarHBondContact N-O 3.42Å; Y142-S194 PolarHBondContact O-N 3.45Å; H181-S194 PolarHBondContact CE1-OG 3.37Å; H181-S194 PolarHBondContact NE2-OG 3.44Å; S194-D196 VanDerWaalsContact C-N 3.28Å; S194-D196 VanDerWaalsContact CB-O 3.23Å; S194-D196 WeakPolarHBondContact CB-O 3.47Å; S194-D196 PolarHBondContact OG-N 2.83Å; S194-D196 PolarHBondContact OG-O 2.89Å
195	A	93.6	Very high	92.1	Very high	5 Å²	5	46.5 Å²	46.5	4%	0.041	28%	0.278	C	S	.	.	S	Bend	trans	-69.9	-27.2	174.5	0	0	0	0	0	112.9	L480 F481	A195-L480 HydrophobicContact CB-CD2 3.75Å; A195-L480 HydrophobicContact CB-CG 4.47Å; A195-F481 HydrophobicContact CB-CZ 4.29Å
196	D	93	Very high	92.2	Very high	103 Å²	103	48.8 Å²	48.8	55%	0.551	29%	0.292	S	S	*	.	S	Bend	trans	-119.3	153.9	179.4	-56.1	-56.6	0	0	0	109.5	S194 L198	S194-D196 VanDerWaalsContact C-N 3.28Å; S194-D196 VanDerWaalsContact CB-O 3.23Å; S194-D196 WeakPolarHBondContact CB-O 3.47Å; S194-D196 PolarHBondContact OG-N 2.83Å; S194-D196 PolarHBondContact OG-O 2.89Å; D196-L198 PolarHBondContact O-N 2.91Å
197	R	94.4	Very high	92.4	Very high	141 Å²	141	52.8 Å²	52.8	53%	0.532	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-64	135.2	178.7	-72.5	-176.4	-178.6	-90.3	-2	110.4	Y142 Y144 E229	Y142-R197 HydrophobicContact CD1-CG 3.87Å; Y142-R197 HydrophobicContact CD2-CG 4.05Å; Y142-R197 HydrophobicContact CE1-CG 3.67Å; Y142-R197 HydrophobicContact CE2-CG 3.83Å; Y142-R197 HydrophobicContact CG-CG 4.06Å; Y144-R197 WeakPolarHBondContact OH-CA 3.5Å; R197-E229 IonicContact CZ-OE1 3.94Å; R197-E229 IonicContact CZ-OE2 2.65Å; R197-E229 IonicContact NH1-OE1 3.53Å; R197-E229 PolarHBondContact NH1-OE1 3.19Å; R197-E229 IonicContact NH1-OE2 3.89Å; R197-E229 PolarHBondContact NH1-OE2 2.85Å; R197-E229 IonicContact NH2-OE1 3.85Å
198	L	93.5	Very high	92.6	Very high	10 Å²	10	54 Å²	54	5%	0.052	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-71	127.6	175.7	-69.3	179.3	0	0	0	109.1	Y144 L180 I184 D196 G200 I201	Y144-L198 HydrophobicContact CD1-CD1 4.05Å; Y144-L198 HydrophobicContact CD2-CD1 3.86Å; Y144-L198 HydrophobicContact CD2-CG 4.35Å; Y144-L198 HydrophobicContact CE1-CB 4.09Å; Y144-L198 HydrophobicContact CE1-CD1 4.05Å; Y144-L198 HydrophobicContact CE1-CG 4.19Å; Y144-L198 HydrophobicContact CE2-CD1 3.86Å; Y144-L198 HydrophobicContact CE2-CG 3.84Å; Y144-L198 HydrophobicContact CG-CD1 3.97Å; Y144-L198 PolarHBondContact OH-N 3.19Å; L180-L198 HydrophobicContact CD1-CD1 3.96Å; L180-L198 HydrophobicContact CD1-CD2 4.47Å; L180-L198 HydrophobicContact CD2-CD1 4.36Å; L180-L198 HydrophobicContact CD2-CD2 4.41Å; I184-L198 HydrophobicContact CD1-CD2 4.31Å; D196-L198 PolarHBondContact O-N 2.91Å; L198-G200 PolarHBondContact O-N 3.38Å; L198-I201 HydrophobicContact CB-CB 4.01Å; L198-I201 HydrophobicContact CB-CG1 3.96Å; L198-I201 PolarHBondContact O-N 3.09Å
199	P	91.5	Very high	93.1	Very high	124 Å²	124	55.8 Å²	55.8	81%	0.805	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	128.7	-179.1	-24.7	33.5	0	0	0	111.7	I201	P199-I201 PolarHBondContact O-N 2.96Å
200	G	91.7	Very high	93.3	Very high	73 Å²	73	57.2 Å²	57.2	75%	0.753	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	0.9	176.7	0	0	0	0	0	116.1	L198 T206	L198-G200 PolarHBondContact O-N 3.38Å; G200-T206 PolarHBondContact O-OG1 3.49Å
201	I	93.5	Very high	93.5	Very high	27 Å²	27	61.6 Å²	61.6	14%	0.138	34%	0.344	C	S	.	.			trans	-104.9	118.6	177.3	-50.9	-58.4	0	0	0	109.3	Y144 L198 P199 T206 L227	Y144-I201 HydrophobicContact CD1-CB 4.47Å; Y144-I201 HydrophobicContact CD1-CG2 3.65Å; Y144-I201 HydrophobicContact CE1-CB 4.16Å; Y144-I201 HydrophobicContact CE1-CG2 3.77Å; L198-I201 HydrophobicContact CB-CB 4.01Å; L198-I201 HydrophobicContact CB-CG1 3.96Å; L198-I201 PolarHBondContact O-N 3.09Å; P199-I201 PolarHBondContact O-N 2.96Å; I201-T206 HydrophobicContact CD1-CG2 3.93Å; I201-L227 HydrophobicContact CD1-CB 4.14Å; I201-L227 HydrophobicContact CG2-CB 4.1Å
202	G	93.7	Very high	93.3	Very high	32 Å²	32	61.7 Å²	61.7	33%	0.33	34%	0.344	S	S	.	.			trans	-120	-160.1	176.7	0	0	0	0	0	112.1	V204 E229	G202-V204 VanDerWaalsContact C-N 3.27Å; G202-V204 PolarHBondContact O-N 3.4Å; G202-E229 WeakPolarHBondContact O-CB 3.27Å; G202-E229 PolarHBondContact O-N 2.83Å
203	K	93.8	Very high	92.9	Very high	154 Å²	154	66.9 Å²	66.9	67%	0.67	38%	0.375	S	S	*	.	S	Bend	trans	-71.9	-19.6	177.7	-65.1	-174.6	177.8	-176.6	0	114
204	V	94.3	Very high	92.1	Very high	111 Å²	111	67.8 Å²	67.8	67%	0.673	38%	0.38	S	S	*	.	S	Bend	trans	-81.5	134	172.7	-178.7	0	0	0	0	108	G202 T206	G202-V204 VanDerWaalsContact C-N 3.27Å; G202-V204 PolarHBondContact O-N 3.4Å; V204-T206 PolarHBondContact O-N 2.97Å; V204-T206 VanDerWaalsContact O-N 3.16Å
205	P	92.6	Very high	91.1	Very high	67 Å²	67	71 Å²	71	44%	0.435	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-55.7	119	174	-24.2	33.7	0	0	0	112	M228	P205-M228 HydrophobicContact CB-CB 4.49Å; P205-M228 HydrophobicContact CG-CB 4.39Å; P205-M228 HydrophobicContact CG-CE 4.31Å; P205-M228 HydrophobicContact CG-SD 3.99Å
206	T	93.9	Very high	90.1	Very high	48 Å²	48	72.4 Å²	72.4	29%	0.294	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	123.8	170.9	-57.1	0	0	0	0	108.4	G200 I201 V204 H226 L227	G200-T206 PolarHBondContact O-OG1 3.49Å; I201-T206 HydrophobicContact CD1-CG2 3.93Å; V204-T206 PolarHBondContact O-N 2.97Å; V204-T206 VanDerWaalsContact O-N 3.16Å; T206-H226 WeakPolarHBondContact O-CA 3.28Å; T206-L227 PolarHBondContact N-O 3.37Å; T206-L227 PolarHBondContact O-N 3.18Å
207	E	94.8	Very high	89.2	Confident	98 Å²	98	69.7 Å²	69.7	46%	0.458	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	133.2	172	-171.3	171.4	116.6	0	0	110.7	L149 K224 H226	L149-E207 HydrophobicContact CD1-CG 4.45Å; E207-K224 HydrophobicContact CG-CG 4.28Å; E207-K224 WeakPolarHBondContact OE1-CE 3.33Å; E207-K224 IonicContact OE1-NZ 3.96Å; E207-K224 PolarHBondContact OE1-NZ 2.71Å; E207-K224 WeakPolarHBondContact OE2-CE 3.32Å; E207-K224 IonicContact OE2-NZ 3.91Å; E207-H226 IonicContact OE2-CD2 3.81Å; E207-H226 IonicContact OE2-CE1 2.76Å; E207-H226 IonicContact OE2-NE2 2.78Å; E207-H226 PolarHBondContact OE2-NE2 2.74Å
208	A	93	Very high	88.2	Confident	31 Å²	31	67.4 Å²	67.4	26%	0.256	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	158.6	177.3	0	0	0	0	0	110.5	Y225	A208-Y225 HydrophobicContact CB-CE1 4.06Å; A208-Y225 HydrophobicContact CB-CE2 3.88Å; A208-Y225 PolarHBondContact N-O 2.9Å; A208-Y225 PolarHBondContact O-N 2.86Å
209	E	93	Very high	87.6	Confident	84 Å²	84	68.6 Å²	68.6	39%	0.393	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141.5	172.3	-62.5	-167.4	157.8	0	0	109.4	R159 V222 L223 K224	R159-E209 IonicContact CZ-OE2 2.6Å; R159-E209 IonicContact NH1-OE1 3.67Å; R159-E209 IonicContact NH1-OE2 3.69Å; R159-E209 PolarHBondContact NH1-OE2 3.05Å; E209-V222 HydrophobicContact CB-CG1 3.92Å; E209-L223 CarbonylContact C-O 3.51Å; E209-L223 VanDerWaalsContact CA-O 3.3Å; E209-L223 WeakPolarHBondContact CA-O 3.47Å; E209-K224 HydrophobicContact CG-CB 4.08Å; E209-K224 HydrophobicContact CG-CG 4.25Å
210	M	91.8	Very high	87.2	Confident	29 Å²	29	67.9 Å²	67.9	14%	0.143	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	143.2	173.6	72	178.4	-56.8	0	0	111	Q175 V176 S179 I212 V222 L223 Y225	Q175-M210 HydrophobicContact CB-CE 4.47Å; V176-M210 VanDerWaalsContact CA-SD 3.52Å; V176-M210 HydrophobicContact CB-SD 3.92Å; V176-M210 HydrophobicContact CG1-SD 4.47Å; V176-M210 HydrophobicContact CG2-SD 3.39Å; V176-M210 WeakPolarHBondContact CG2-SD 3.3Å; S179-M210 WeakPolarHBondContact OG-CE 3.42Å; M210-I212 HydrophobicContact CE-CG2 4.36Å; M210-I212 HydrophobicContact CG-CG2 3.69Å; M210-I212 PolarHBondContact O-N 2.81Å; M210-I212 HydrophobicContact SD-CG2 3.98Å; M210-V222 CarbonylContact O-C 3.45Å; M210-V222 WeakPolarHBondContact O-CA 3.4Å; M210-L223 HydrophobicContact CG-CB 4.17Å; M210-L223 PolarHBondContact N-O 3.18Å; M210-L223 PolarHBondContact O-N 3.25Å; M210-Y225 HydrophobicContact CB-CE1 3.92Å; M210-Y225 HydrophobicContact CG-CD1 4.26Å; M210-Y225 HydrophobicContact CG-CE1 3.7Å; M210-Y225 HydrophobicContact SD-CE1 3.96Å
211	K	91.4	Very high	87.1	Confident	147 Å²	147	65.1 Å²	65.1	64%	0.639	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	127.5	165	-61.5	-163.5	-175.8	-157.3	0	108.2	D155 L221 V222	D155-K211 IonicContact OD1-NZ 2.71Å; D155-K211 PolarHBondContact OD1-NZ 2.8Å; K211-L221 CarbonylContact C-O 3.55Å; K211-L221 WeakPolarHBondContact CA-O 3.36Å; K211-V222 HydrophobicContact CG-CG2 4.38Å
212	I	90.2	Very high	87	Confident	10 Å²	10	64 Å²	64	5%	0.051	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	147.1	177.9	57.5	165.5	0	0	0	109.9	V151 L172 Q175 M210 D214 L221 L223	V151-I212 HydrophobicContact CG1-CD1 4.31Å; L172-I212 HydrophobicContact CD1-CD1 3.78Å; L172-I212 HydrophobicContact CD2-CD1 4Å; L172-I212 HydrophobicContact CG-CD1 4.32Å; Q175-I212 HydrophobicContact CB-CG2 4.28Å; M210-I212 HydrophobicContact CE-CG2 4.36Å; M210-I212 HydrophobicContact CG-CG2 3.69Å; M210-I212 PolarHBondContact O-N 2.81Å; M210-I212 HydrophobicContact SD-CG2 3.98Å; I212-D214 PolarHBondContact O-N 2.79Å; I212-L221 HydrophobicContact CD1-CB 3.93Å; I212-L221 HydrophobicContact CD1-CD1 4.24Å; I212-L221 HydrophobicContact CG1-CB 3.47Å; I212-L221 VanDerWaalsContact CG1-CB 3.47Å; I212-L221 HydrophobicContact CG1-CD1 4.49Å; I212-L221 PolarHBondContact N-O 2.84Å; I212-L223 HydrophobicContact CD1-CB 4.1Å; I212-L223 HydrophobicContact CG1-CB 4.33Å; I212-L223 HydrophobicContact CG2-CB 3.61Å; I212-L223 HydrophobicContact CG2-CD2 4.22Å
213	V	85.1	Confident	87	Confident	109 Å²	109	62.5 Å²	62.5	66%	0.661	34%	0.338	S	S	*	.			trans	-70.9	122.4	172.7	-178.5	0	0	0	0	107.9	Q175 P215	Q175-V213 PolarHBondContact NE2-O 3.48Å; V213-P215 VanDerWaalsContact O-CD 3.3Å; V213-P215 WeakPolarHBondContact O-CD 3.25Å
214	D	80.6	Confident	87	Confident	19 Å²	19	57.3 Å²	57.3	10%	0.102	32%	0.316	C	S	.	.			trans	-68.9	119.1	168.3	-179.2	4.8	0	0	0	109.2	I212 L216 G217 R218 D219 L221	I212-D214 PolarHBondContact O-N 2.79Å; D214-L216 PolarHBondContact O-N 3.08Å; D214-L216 WeakPolarHBondContact OD1-CB 3.47Å; D214-L216 PolarHBondContact OD1-N 3.09Å; D214-G217 PolarHBondContact O-N 3.24Å; D214-R218 WeakPolarHBondContact OD2-CA 3.22Å; D214-R218 VanDerWaalsContact OD2-CB 3.23Å; D214-R218 WeakPolarHBondContact OD2-CB 3.49Å; D214-R218 PolarHBondContact OD2-N 3.38Å; D214-D219 WeakPolarHBondContact CB-O 3.5Å; D214-D219 PolarHBondContact OD2-N 3.44Å; D214-L221 HydrophobicContact CB-CD1 3.72Å; D214-L221 HydrophobicContact CB-CG 4.07Å
215	P	72.9	Confident	87	Confident	70 Å²	70	53 Å²	53	46%	0.455	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-19.3	175.1	-24.4	35.2	0	0	0	114.2	V213	V213-P215 VanDerWaalsContact O-CD 3.3Å; V213-P215 WeakPolarHBondContact O-CD 3.25Å
216	L	74.4	Confident	87.1	Confident	33 Å²	33	52.2 Å²	52.2	17%	0.173	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-12.7	177.1	-59.5	-179.7	0	0	0	113.4	D214 R218 S370 R372	D214-L216 PolarHBondContact O-N 3.08Å; D214-L216 WeakPolarHBondContact OD1-CB 3.47Å; D214-L216 PolarHBondContact OD1-N 3.09Å; L216-R218 HydrophobicContact CB-CB 4.17Å; L216-R218 PolarHBondContact O-N 2.75Å; L216-S370 PolarHBondContact O-N 3.02Å; L216-S370 PolarHBondContact O-OG 3.49Å; L216-R372 HydrophobicContact CD2-CB 3.96Å; L216-R372 HydrophobicContact CD2-CG 3.51Å
217	G	73.5	Confident	87.2	Confident	46 Å²	46	50.1 Å²	50.1	47%	0.474	27%	0.265	S	S	.	.	S	Bend	trans	60.9	25.6	-172.2	0	0	0	0	0	113.7	D214 Y369	D214-G217 PolarHBondContact O-N 3.24Å; G217-Y369 WeakPolarHBondContact O-CB 3.36Å
218	R	73.7	Confident	87.3	Confident	93 Å²	93	48.4 Å²	48.4	35%	0.351	26%	0.258	S	S	.	.			trans	-91.7	-46.8	-173.9	-179.4	-174	-172	-177.9	1.9	112.2	D214 L216 Y369	D214-R218 WeakPolarHBondContact OD2-CA 3.22Å; D214-R218 VanDerWaalsContact OD2-CB 3.23Å; D214-R218 WeakPolarHBondContact OD2-CB 3.49Å; D214-R218 PolarHBondContact OD2-N 3.38Å; L216-R218 HydrophobicContact CB-CB 4.17Å; L216-R218 PolarHBondContact O-N 2.75Å; R218-Y369 HydrophobicContact CB-CD2 3.62Å; R218-Y369 HydrophobicContact CB-CE2 4.08Å; R218-Y369 HydrophobicContact CB-CG 4.08Å; R218-Y369 HydrophobicContact CG-CD2 3.62Å; R218-Y369 HydrophobicContact CG-CE2 3.54Å; R218-Y369 HydrophobicContact CG-CG 4.19Å
219	D	79.3	Confident	87.5	Confident	36 Å²	36	47.4 Å²	47.4	19%	0.193	25%	0.247	C	C	.	.	S	Bend	trans	-123.8	147.2	-165.7	-66.3	-43.2	0	0	0	111.6	R153 D214 L221	R153-D219 HydrophobicContact CG-CB 4.15Å; R153-D219 IonicContact CZ-OD1 3.94Å; R153-D219 IonicContact CZ-OD2 3.99Å; R153-D219 IonicContact NE-OD1 3.19Å; R153-D219 PolarHBondContact NE-OD1 3.19Å; R153-D219 VanDerWaalsContact NE-OD1 3.15Å; R153-D219 IonicContact NE-OD2 3.66Å; R153-D219 PolarHBondContact NE-OD2 2.95Å; R153-D219 IonicContact NH2-OD2 3.82Å; R153-D219 PolarHBondContact NH2-OD2 3.09Å; D214-D219 WeakPolarHBondContact CB-O 3.5Å; D214-D219 PolarHBondContact OD2-N 3.44Å; D219-L221 HydrophobicContact CB-CD2 3.65Å; D219-L221 HydrophobicContact CB-CG 4.04Å; D219-L221 PolarHBondContact O-N 3.26Å
220	N	83.9	Confident	87.6	Confident	109 Å²	109	46.1 Å²	46.1	58%	0.583	25%	0.245	S	C	*	.			trans	-74.2	111.2	160.4	-72.8	-20.6	0	0	0	108.1	G154	G154-N220 PolarHBondContact N-O 2.69Å
221	L	89.3	Confident	87.8	Confident	14 Å²	14	48.3 Å²	48.3	7%	0.073	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	139.2	-174.8	-65.2	-174.5	0	0	0	111.5	V151 Y152 R153 I162 K211 I212 D214 D219	V151-L221 HydrophobicContact CG1-CD2 4.47Å; Y152-L221 CarbonylContact O-C 3.58Å; Y152-L221 WeakPolarHBondContact O-CA 3.47Å; R153-L221 HydrophobicContact CB-CD2 4.49Å; I162-L221 HydrophobicContact CD1-CD2 3.33Å; K211-L221 CarbonylContact C-O 3.55Å; K211-L221 WeakPolarHBondContact CA-O 3.36Å; I212-L221 HydrophobicContact CD1-CB 3.93Å; I212-L221 HydrophobicContact CD1-CD1 4.24Å; I212-L221 HydrophobicContact CG1-CB 3.47Å; I212-L221 VanDerWaalsContact CG1-CB 3.47Å; I212-L221 HydrophobicContact CG1-CD1 4.49Å; I212-L221 PolarHBondContact N-O 2.84Å; D214-L221 HydrophobicContact CB-CD1 3.72Å; D214-L221 HydrophobicContact CB-CG 4.07Å; D219-L221 HydrophobicContact CB-CD2 3.65Å; D219-L221 HydrophobicContact CB-CG 4.04Å; D219-L221 PolarHBondContact O-N 3.26Å
222	V	91.5	Very high	88.1	Confident	4 Å²	4	44.8 Å²	44.8	2%	0.024	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	121.6	174.4	-178.7	0	0	0	0	109.1	V151 Y152 E209 M210 K211	V151-V222 CarbonylContact C-O 3.59Å; V151-V222 WeakPolarHBondContact CA-O 3.42Å; Y152-V222 PolarHBondContact N-O 3.43Å; Y152-V222 PolarHBondContact O-N 3.19Å; E209-V222 HydrophobicContact CB-CG1 3.92Å; M210-V222 CarbonylContact O-C 3.45Å; M210-V222 WeakPolarHBondContact O-CA 3.4Å; K211-V222 HydrophobicContact CG-CG2 4.38Å
223	L	93.5	Very high	88.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	123.7	174.4	175.7	67	0	0	0	109.1	A148 V151 L172 V176 E209 M210 I212 Y225	A148-L223 HydrophobicContact CB-CD1 3.97Å; V151-L223 HydrophobicContact CG2-CD1 3.77Å; L172-L223 HydrophobicContact CB-CD1 4.42Å; L172-L223 HydrophobicContact CB-CD2 4.03Å; L172-L223 HydrophobicContact CD1-CD1 4.42Å; V176-L223 HydrophobicContact CG2-CD2 3.55Å; E209-L223 CarbonylContact C-O 3.51Å; E209-L223 VanDerWaalsContact CA-O 3.3Å; E209-L223 WeakPolarHBondContact CA-O 3.47Å; M210-L223 HydrophobicContact CG-CB 4.17Å; M210-L223 PolarHBondContact N-O 3.18Å; M210-L223 PolarHBondContact O-N 3.25Å; I212-L223 HydrophobicContact CD1-CB 4.1Å; I212-L223 HydrophobicContact CG1-CB 4.33Å; I212-L223 HydrophobicContact CG2-CB 3.61Å; I212-L223 HydrophobicContact CG2-CD2 4.22Å; L223-Y225 HydrophobicContact CD2-CD1 4.27Å; L223-Y225 HydrophobicContact CG-CD1 4.13Å
224	K	94.7	Very high	89	Confident	45 Å²	45	40 Å²	40	20%	0.196	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.9	167.1	176.2	165.4	155.2	149.5	0	109.3	L149 A150 Y152 E207 E209	L149-K224 HydrophobicContact CB-CG 4.31Å; L149-K224 WeakPolarHBondContact CB-O 3.22Å; L149-K224 HydrophobicContact CD1-CG 3.99Å; L149-K224 PolarHBondContact N-O 2.7Å; A150-K224 HydrophobicContact CB-CB 4.45Å; A150-K224 PolarHBondContact N-O 3.07Å; A150-K224 PolarHBondContact O-N 2.95Å; Y152-K224 HydrophobicContact CE2-CB 3.9Å; Y152-K224 HydrophobicContact CE2-CD 4.06Å; E207-K224 HydrophobicContact CG-CG 4.28Å; E207-K224 WeakPolarHBondContact OE1-CE 3.33Å; E207-K224 IonicContact OE1-NZ 3.96Å; E207-K224 PolarHBondContact OE1-NZ 2.71Å; E207-K224 WeakPolarHBondContact OE2-CE 3.32Å; E207-K224 IonicContact OE2-NZ 3.91Å; E209-K224 HydrophobicContact CG-CB 4.08Å; E209-K224 HydrophobicContact CG-CG 4.25Å
225	Y	95	Very high	89.8	Confident	20 Å²	20	39.1 Å²	39.1	8%	0.078	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	159	-173.5	65.2	-86.6	0	0	0	111.9	E147 V176 A208 M210 L223 L227	E147-Y225 CarbonylContact O-C 3.5Å; E147-Y225 WeakPolarHBondContact O-CA 3.13Å; E147-Y225 VanDerWaalsContact O-CB 3.29Å; E147-Y225 WeakPolarHBondContact O-CB 3.25Å; V176-Y225 HydrophobicContact CG1-CD2 3.9Å; V176-Y225 HydrophobicContact CG1-CE1 4.3Å; V176-Y225 HydrophobicContact CG1-CE2 3.48Å; V176-Y225 VanDerWaalsContact CG1-CE2 3.48Å; V176-Y225 HydrophobicContact CG1-CG 4.47Å; V176-Y225 HydrophobicContact CG2-CD1 3.85Å; V176-Y225 HydrophobicContact CG2-CD2 4.2Å; V176-Y225 HydrophobicContact CG2-CE1 4.01Å; V176-Y225 HydrophobicContact CG2-CE2 4.35Å; V176-Y225 HydrophobicContact CG2-CG 3.94Å; A208-Y225 HydrophobicContact CB-CE1 4.06Å; A208-Y225 HydrophobicContact CB-CE2 3.88Å; A208-Y225 PolarHBondContact N-O 2.9Å; A208-Y225 PolarHBondContact O-N 2.86Å; M210-Y225 HydrophobicContact CB-CE1 3.92Å; M210-Y225 HydrophobicContact CG-CD1 4.26Å; M210-Y225 HydrophobicContact CG-CE1 3.7Å; M210-Y225 HydrophobicContact SD-CE1 3.96Å; L223-Y225 HydrophobicContact CD2-CD1 4.27Å; L223-Y225 HydrophobicContact CG-CD1 4.13Å; Y225-L227 HydrophobicContact CD2-CD1 4.28Å; Y225-L227 HydrophobicContact CD2-CG 4Å; Y225-L227 HydrophobicContact CE2-CD1 3.59Å; Y225-L227 HydrophobicContact CE2-CG 3.83Å
226	H	94.5	Very high	90.9	Very high	51 Å²	51	37.4 Å²	37.4	24%	0.236	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	140.1	171.9	-76.1	178.9	0	0	0	110.4	A146 E147 L149 T206 E207	A146-H226 WeakPolarHBondContact CA-O 3.17Å; E147-H226 PolarHBondContact N-O 2.84Å; E147-H226 PolarHBondContact O-N 2.98Å; L149-H226 WeakPolarHBondContact CD1-CD2 3.35Å; L149-H226 WeakPolarHBondContact CD1-NE2 3.36Å; T206-H226 WeakPolarHBondContact O-CA 3.28Å; E207-H226 IonicContact OE2-CD2 3.81Å; E207-H226 IonicContact OE2-CE1 2.76Å; E207-H226 IonicContact OE2-NE2 2.78Å; E207-H226 PolarHBondContact OE2-NE2 2.74Å
227	L	95.1	Very high	92	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	133.8	168.1	-82.3	171.7	0	0	0	109.6	R145 A146 V176 L180 I192 I201 T206 Y225	R145-L227 WeakPolarHBondContact O-CA 3.25Å; A146-L227 HydrophobicContact CB-CD2 3.64Å; V176-L227 HydrophobicContact CG1-CD1 4.28Å; L180-L227 HydrophobicContact CD2-CD1 4.4Å; I192-L227 HydrophobicContact CD1-CD2 4.12Å; I201-L227 HydrophobicContact CD1-CB 4.14Å; I201-L227 HydrophobicContact CG2-CB 4.1Å; T206-L227 PolarHBondContact N-O 3.37Å; T206-L227 PolarHBondContact O-N 3.18Å; Y225-L227 HydrophobicContact CD2-CD1 4.28Å; Y225-L227 HydrophobicContact CD2-CG 4Å; Y225-L227 HydrophobicContact CE2-CD1 3.59Å; Y225-L227 HydrophobicContact CE2-CG 3.83Å
228	M	96.2	Very high	93.1	Very high	63 Å²	63	36.3 Å²	36.3	31%	0.31	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	142.3	173.7	63.5	-175.9	-63.3	0	0	111.1	Y144 R145 P205	Y144-M228 CarbonylContact C-O 3.45Å; Y144-M228 WeakPolarHBondContact CA-O 3.4Å; Y144-M228 WeakPolarHBondContact CB-O 3.39Å; R145-M228 HydrophobicContact CB-CG 3.95Å; R145-M228 PolarHBondContact N-O 3.13Å; R145-M228 PolarHBondContact O-N 2.86Å; R145-M228 VanDerWaalsContact O-N 3.12Å; P205-M228 HydrophobicContact CB-CB 4.49Å; P205-M228 HydrophobicContact CG-CB 4.39Å; P205-M228 HydrophobicContact CG-CE 4.31Å; P205-M228 HydrophobicContact CG-SD 3.99Å
229	E	97	Very high	94.2	Very high	9 Å²	9	34.8 Å²	34.8	4%	0.042	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	125.2	167.3	-174	179.2	139.3	0	0	109.6	Y144 R197 G202	Y144-E229 HydrophobicContact CD1-CB 3.91Å; Y144-E229 HydrophobicContact CE1-CB 3.76Å; Y144-E229 HydrophobicContact CE1-CG 4.19Å; R197-E229 IonicContact CZ-OE1 3.94Å; R197-E229 IonicContact CZ-OE2 2.65Å; R197-E229 IonicContact NH1-OE1 3.53Å; R197-E229 PolarHBondContact NH1-OE1 3.19Å; R197-E229 IonicContact NH1-OE2 3.89Å; R197-E229 PolarHBondContact NH1-OE2 2.85Å; R197-E229 IonicContact NH2-OE1 3.85Å; G202-E229 WeakPolarHBondContact O-CB 3.27Å; G202-E229 PolarHBondContact O-N 2.83Å
230	V	95.9	Very high	95	Very high	57 Å²	57	38 Å²	38	35%	0.345	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-55.9	-179.1	-178.8	0	0	0	0	110.2	M143 R145	M143-V230 PolarHBondContact O-N 2.98Å; R145-V230 HydrophobicContact CB-CG2 3.59Å
231	Q	96.3	Very high	95.6	Very high	75 Å²	75	33.6 Å²	33.6	35%	0.35	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	169.7	-174.1	62.3	-177.1	-7.8	0	0	111.4	M143 V233 E255	M143-Q231 HydrophobicContact CB-CG 4.12Å; M143-Q231 WeakPolarHBondContact CB-O 3.26Å; M143-Q231 PolarHBondContact N-O 2.85Å; M143-Q231 HydrophobicContact SD-CG 3.71Å; M143-Q231 PolarHBondContact SD-NE2 2.82Å; Q231-V233 HydrophobicContact CG-CG2 4.26Å; Q231-E255 PolarHBondContact NE2-OE2 3.4Å
232	T	97.3	Very high	95.9	Very high	73 Å²	73	33.5 Å²	33.5	45%	0.448	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	140.6	166.9	52.2	0	0	0	0	109.8	I140 V141 Y142	I140-T232 HydrophobicContact CG2-CG2 3.94Å; V141-T232 CarbonylContact O-C 3.44Å; V141-T232 WeakPolarHBondContact O-CA 2.99Å; Y142-T232 HydrophobicContact CD1-CG2 3.7Å; Y142-T232 HydrophobicContact CE1-CG2 3.77Å
233	V	97.1	Very high	96.1	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.018	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132.9	177.3	-176.7	0	0	0	0	108.1	V141 M143 Q231 E255 L259	V141-V233 PolarHBondContact N-O 3.4Å; V141-V233 PolarHBondContact O-N 3.25Å; M143-V233 HydrophobicContact CB-CG2 4.33Å; Q231-V233 HydrophobicContact CG-CG2 4.26Å; V233-E255 HydrophobicContact CG1-CB 4.24Å; V233-E255 HydrophobicContact CG2-CB 4.21Å; V233-L259 HydrophobicContact CB-CD2 4.23Å; V233-L259 HydrophobicContact CG1-CB 4.33Å; V233-L259 HydrophobicContact CG1-CD2 3.92Å
234	S	97.5	Very high	96.2	Very high	16 Å²	16	42.8 Å²	42.8	11%	0.112	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	135.2	176.7	172.4	0	0	0	0	110.2	D236 D237 S256	S234-D236 PolarHBondContact O-N 2.94Å; S234-D236 WeakPolarHBondContact OG-CB 3.35Å; S234-D236 PolarHBondContact OG-N 3.35Å; S234-D236 VanDerWaalsContact OG-N 3.14Å; S234-D237 VanDerWaalsContact CB-OD1 3.3Å; S234-D237 WeakPolarHBondContact CB-OD1 3.43Å; S234-D237 PolarHBondContact N-OD2 3.5Å; S234-S256 WeakPolarHBondContact O-CB 3.3Å; S234-S256 PolarHBondContact O-OG 2.61Å
235	T	96.3	Very high	95.9	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-15.1	171.7	56.3	0	0	0	0	113	I136 K137 K139 V141 L259 L260 F481	I136-T235 HydrophobicContact CD1-CG2 4.01Å; K137-T235 PolarHBondContact O-OG1 3.1Å; K139-T235 PolarHBondContact N-OG1 2.98Å; K139-T235 PolarHBondContact O-N 3.15Å; K139-T235 PolarHBondContact O-OG1 3.05Å; V141-T235 HydrophobicContact CG2-CG2 4.03Å; T235-L259 HydrophobicContact CG2-CD2 4Å; T235-L260 HydrophobicContact CG2-CD2 4.24Å; T235-F481 HydrophobicContact CG2-CD1 3.89Å; T235-F481 HydrophobicContact CG2-CE1 3.82Å
236	D	96.6	Very high	95.7	Very high	34 Å²	34	52.4 Å²	52.4	18%	0.182	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-15.6	-177	-163	47.2	0	0	0	113.1	P138 S234 V238 Q239 Q240	P138-D236 HydrophobicContact CB-CB 3.86Å; P138-D236 HydrophobicContact CG-CB 4.16Å; S234-D236 PolarHBondContact O-N 2.94Å; S234-D236 WeakPolarHBondContact OG-CB 3.35Å; S234-D236 PolarHBondContact OG-N 3.35Å; S234-D236 VanDerWaalsContact OG-N 3.14Å; D236-V238 PolarHBondContact O-N 2.87Å; D236-V238 VanDerWaalsContact O-N 3.11Å; D236-Q239 WeakPolarHBondContact O-CA 3.5Å; D236-Q239 WeakPolarHBondContact O-CB 3.08Å; D236-Q239 PolarHBondContact O-N 3.46Å; D236-Q240 PolarHBondContact O-N 2.98Å; D236-Q240 WeakPolarHBondContact OD2-CG 3.16Å; D236-Q240 PolarHBondContact OD2-NE2 2.83Å
237	D	97.5	Very high	95.6	Very high	54 Å²	54	50.2 Å²	50.2	29%	0.289	26%	0.259	S	S	.	.	H	α-helix	trans	-57.5	-34.7	-174.4	-64.5	-25.5	0	0	0	112.3	S234 Y241 P253	S234-D237 VanDerWaalsContact CB-OD1 3.3Å; S234-D237 WeakPolarHBondContact CB-OD1 3.43Å; S234-D237 PolarHBondContact N-OD2 3.5Å; D237-Y241 VanDerWaalsContact O-CB 3.26Å; D237-Y241 WeakPolarHBondContact O-CB 3.42Å; D237-Y241 PolarHBondContact O-N 3.21Å; D237-P253 HydrophobicContact CB-CB 3.77Å; D237-P253 HydrophobicContact CB-CG 4.4Å
238	V	96.9	Very high	95.4	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-68.8	-39.2	176.3	-164.8	0	0	0	0	111.5	D236 Y241 V242 P253 S256 I257 L260 I304 P306 V310	D236-V238 PolarHBondContact O-N 2.87Å; D236-V238 VanDerWaalsContact O-N 3.11Å; V238-Y241 PolarHBondContact O-N 2.91Å; V238-V242 WeakPolarHBondContact O-CG2 3.19Å; V238-V242 PolarHBondContact O-N 3.14Å; V238-V242 VanDerWaalsContact O-N 3.09Å; V238-P253 HydrophobicContact CB-CG 4.47Å; V238-P253 HydrophobicContact CG2-CG 4.19Å; V238-S256 WeakPolarHBondContact CG2-OG 3.42Å; V238-I257 HydrophobicContact CG1-CG1 4.46Å; V238-I257 HydrophobicContact CG2-CG1 3.9Å; V238-L260 HydrophobicContact CB-CD1 4.49Å; V238-L260 HydrophobicContact CG2-CD1 3.81Å; V238-I304 HydrophobicContact CG1-CG2 4.1Å; V238-P306 HydrophobicContact CG1-CB 3.96Å; V238-V310 HydrophobicContact CB-CG2 4.3Å; V238-V310 HydrophobicContact CG1-CG1 3.97Å; V238-V310 HydrophobicContact CG1-CG2 3.93Å
239	Q	97	Very high	95	Very high	62 Å²	62	48.9 Å²	48.9	29%	0.29	26%	0.255	S	S	.	.	H	α-helix	trans	-67.9	-46.5	176.7	-175.6	64.6	32.1	0	0	110.4	D236 Y241 V242 E243 V310	D236-Q239 WeakPolarHBondContact O-CA 3.5Å; D236-Q239 WeakPolarHBondContact O-CB 3.08Å; D236-Q239 PolarHBondContact O-N 3.46Å; Q239-Y241 VanDerWaalsContact C-N 3.29Å; Q239-Y241 PolarHBondContact O-N 2.83Å; Q239-V242 PolarHBondContact O-N 3.33Å; Q239-V242 VanDerWaalsContact O-N 3.13Å; Q239-E243 PolarHBondContact NE2-OE1 2.8Å; Q239-E243 WeakPolarHBondContact O-CG 3.37Å; Q239-E243 PolarHBondContact O-N 2.92Å; Q239-V310 HydrophobicContact CB-CG2 4.36Å; Q239-V310 VanDerWaalsContact OE1-CG2 3.31Å
240	Q	96.7	Very high	94.6	Very high	103 Å²	103	51.6 Å²	51.6	48%	0.481	27%	0.269	S	S	.	.	H	α-helix	trans	-59.1	-39.7	175.2	-67.3	-177.5	13.3	0	0	112	D236 E243 N244	D236-Q240 PolarHBondContact O-N 2.98Å; D236-Q240 WeakPolarHBondContact OD2-CG 3.16Å; D236-Q240 PolarHBondContact OD2-NE2 2.83Å; Q240-E243 PolarHBondContact O-N 2.95Å; Q240-N244 WeakPolarHBondContact O-CB 3.39Å; Q240-N244 PolarHBondContact O-N 2.91Å
241	Y	96.4	Very high	94.2	Very high	17 Å²	17	52.8 Å²	52.8	7%	0.067	27%	0.274	C	S	.	.	H	α-helix	trans	-60.2	-47.8	174.1	174	-85.4	0	0	0	111.7	D237 V238 Q239 E243 N244 A247 T248 S249 I252 P253 P306 H820	D237-Y241 VanDerWaalsContact O-CB 3.26Å; D237-Y241 WeakPolarHBondContact O-CB 3.42Å; D237-Y241 PolarHBondContact O-N 3.21Å; V238-Y241 PolarHBondContact O-N 2.91Å; Q239-Y241 VanDerWaalsContact C-N 3.29Å; Q239-Y241 PolarHBondContact O-N 2.83Å; Y241-E243 VanDerWaalsContact C-N 3.33Å; Y241-E243 PolarHBondContact O-N 2.88Å; Y241-N244 PolarHBondContact O-N 2.94Å; Y241-A247 HydrophobicContact CD1-CB 4.5Å; Y241-A247 HydrophobicContact CD2-CB 3.89Å; Y241-A247 HydrophobicContact CE1-CB 4.35Å; Y241-A247 HydrophobicContact CE2-CB 3.76Å; Y241-A247 HydrophobicContact CG-CB 4.27Å; Y241-A247 WeakPolarHBondContact O-CB 3.47Å; Y241-T248 WeakPolarHBondContact CE2-O 3.41Å; Y241-T248 PolarHBondContact OH-O 2.56Å; Y241-S249 PolarHBondContact OH-N 2.98Å; Y241-I252 HydrophobicContact CE2-CB 4.46Å; Y241-I252 HydrophobicContact CE2-CG1 4.02Å; Y241-P253 VanDerWaalsContact CD2-CD 3.46Å; Y241-P253 HydrophobicContact CD2-CG 4.45Å; Y241-P253 HydrophobicContact CG-CG 4.2Å; Y241-P306 HydrophobicContact CD1-CB 3.61Å; Y241-P306 HydrophobicContact CD1-CG 4.31Å; Y241-P306 HydrophobicContact CE1-CB 3.75Å; Y241-P306 HydrophobicContact CE1-CG 4.12Å; Y241-H820 AromaticContact CZ-NE2 3.86Å; Y241-H820 PolarHBondContact OH-NE2 3.19Å
242	V	95.8	Very high	94	Very high	11 Å²	11	50.9 Å²	50.9	7%	0.067	27%	0.265	C	S	.	.	H	α-helix	trans	-65.6	-36.1	-179.1	169.5	0	0	0	0	112	V238 Q239 P306 W308 V310	V238-V242 WeakPolarHBondContact O-CG2 3.19Å; V238-V242 PolarHBondContact O-N 3.14Å; V238-V242 VanDerWaalsContact O-N 3.09Å; Q239-V242 PolarHBondContact O-N 3.33Å; Q239-V242 VanDerWaalsContact O-N 3.13Å; V242-P306 HydrophobicContact CG2-CB 3.84Å; V242-W308 VanDerWaalsContact CG1-O 3.22Å; V242-W308 WeakPolarHBondContact CG1-O 3.5Å; V242-V310 HydrophobicContact CG2-CG2 4.11Å
243	E	95	Very high	93.9	Very high	132 Å²	132	48.6 Å²	48.6	62%	0.617	25%	0.252	S	S	*	.	H	α-helix	trans	-79.2	-22.6	178.9	-70.4	177.5	175.8	0	0	113.3	Q239 Q240 Y241 P245	Q239-E243 PolarHBondContact NE2-OE1 2.8Å; Q239-E243 WeakPolarHBondContact O-CG 3.37Å; Q239-E243 PolarHBondContact O-N 2.92Å; Q240-E243 PolarHBondContact O-N 2.95Å; Y241-E243 VanDerWaalsContact C-N 3.33Å; Y241-E243 PolarHBondContact O-N 2.88Å; E243-P245 VanDerWaalsContact O-CD 3.25Å; E243-P245 WeakPolarHBondContact O-CD 3.34Å
244	N	94.8	Very high	93.7	Very high	68 Å²	68	53.6 Å²	53.6	36%	0.364	28%	0.275	S	S	.	.			trans	-72.6	113.6	-177.9	178.5	1.7	0	0	0	111.2	Q240 Y241 K246 A247	Q240-N244 WeakPolarHBondContact O-CB 3.39Å; Q240-N244 PolarHBondContact O-N 2.91Å; Y241-N244 PolarHBondContact O-N 2.94Å; N244-K246 PolarHBondContact O-N 3.39Å; N244-K246 VanDerWaalsContact O-N 3.07Å; N244-K246 WeakPolarHBondContact OD1-CA 3.37Å; N244-K246 WeakPolarHBondContact OD1-CB 3.32Å; N244-K246 PolarHBondContact OD1-N 3.26Å; N244-A247 HydrophobicContact CB-CB 4.17Å; N244-A247 VanDerWaalsContact O-CB 3.29Å; N244-A247 WeakPolarHBondContact O-CB 3.37Å; N244-A247 PolarHBondContact O-N 2.9Å
245	P	89.8	Confident	93.6	Very high	99 Å²	99	56 Å²	56	64%	0.643	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-14.9	-179.7	28.3	-35.5	0	0	0	113.6	E243	E243-P245 VanDerWaalsContact O-CD 3.25Å; E243-P245 WeakPolarHBondContact O-CD 3.34Å
246	K	90.3	Very high	93.6	Very high	168 Å²	168	56 Å²	56	73%	0.73	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	1.1	177.5	-59.6	-178.5	-179.7	178.1	0	113.3	N244 R822	N244-K246 PolarHBondContact O-N 3.39Å; N244-K246 VanDerWaalsContact O-N 3.07Å; N244-K246 WeakPolarHBondContact OD1-CA 3.37Å; N244-K246 WeakPolarHBondContact OD1-CB 3.32Å; N244-K246 PolarHBondContact OD1-N 3.26Å; K246-R822 PolarHBondContact O-NH2 3.5Å
247	A	91.8	Very high	93.6	Very high	5 Å²	5	55 Å²	55	4%	0.041	28%	0.279	C	S	.	.			trans	-58.5	150.3	177.1	0	0	0	0	0	112	Y241 N244 R822	Y241-A247 HydrophobicContact CD1-CB 4.5Å; Y241-A247 HydrophobicContact CD2-CB 3.89Å; Y241-A247 HydrophobicContact CE1-CB 4.35Å; Y241-A247 HydrophobicContact CE2-CB 3.76Å; Y241-A247 HydrophobicContact CG-CB 4.27Å; Y241-A247 WeakPolarHBondContact O-CB 3.47Å; N244-A247 HydrophobicContact CB-CB 4.17Å; N244-A247 VanDerWaalsContact O-CB 3.29Å; N244-A247 WeakPolarHBondContact O-CB 3.37Å; N244-A247 PolarHBondContact O-N 2.9Å; A247-R822 PolarHBondContact O-NH2 2.89Å
248	T	90.7	Very high	93.4	Very high	26 Å²	26	56.2 Å²	56.2	16%	0.16	28%	0.279	C	S	.	.			trans	-141.8	154.3	179.9	59.1	0	0	0	0	110.3	Y241 L250 N251 E823	Y241-T248 WeakPolarHBondContact CE2-O 3.41Å; Y241-T248 PolarHBondContact OH-O 2.56Å; T248-L250 PolarHBondContact O-N 2.63Å; T248-N251 PolarHBondContact N-OD1 3.19Å; T248-N251 PolarHBondContact O-N 3.42Å; T248-N251 PolarHBondContact O-OD1 2.86Å; T248-N251 PolarHBondContact OG1-OD1 2.95Å; T248-E823 WeakPolarHBondContact CA-OE1 3.22Å; T248-E823 WeakPolarHBondContact CB-OE1 3.49Å
249	S	88.8	Confident	93.4	Very high	13 Å²	13	56.1 Å²	56.1	9%	0.091	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-59.6	-16.2	173.9	-62.6	0	0	0	0	113.3	Y241 I252 E823	Y241-S249 PolarHBondContact OH-N 2.98Å; S249-I252 VanDerWaalsContact O-CD1 3.31Å; S249-I252 WeakPolarHBondContact O-CD1 3.31Å; S249-I252 WeakPolarHBondContact O-CG1 3.3Å; S249-E823 VanDerWaalsContact CB-OE2 3.26Å; S249-E823 WeakPolarHBondContact CB-OE2 3.45Å; S249-E823 PolarHBondContact N-OE1 3.4Å; S249-E823 PolarHBondContact OG-OE2 3.47Å
250	L	87.3	Confident	93.3	Very high	65 Å²	65	53.3 Å²	53.3	34%	0.34	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-75.9	-18.7	175.8	-57.2	-178.6	0	0	0	114.1	I111 T248 E760	I111-L250 HydrophobicContact CD1-CD2 4.01Å; I111-L250 HydrophobicContact CD1-CG 3.91Å; I111-L250 HydrophobicContact CG1-CD1 4.49Å; I111-L250 HydrophobicContact CG1-CG 4.37Å; T248-L250 PolarHBondContact O-N 2.63Å; L250-E760 HydrophobicContact CD2-CB 3.94Å
251	N	88.7	Confident	93.1	Very high	83 Å²	83	50.4 Å²	50.4	44%	0.444	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-124.2	32.8	-177.6	72.4	-25.8	0	0	0	113.3	T248	T248-N251 PolarHBondContact N-OD1 3.19Å; T248-N251 PolarHBondContact O-N 3.42Å; T248-N251 PolarHBondContact O-OD1 2.86Å; T248-N251 PolarHBondContact OG1-OD1 2.95Å
252	I	91.7	Very high	92.9	Very high	34 Å²	34	49.7 Å²	49.7	17%	0.174	25%	0.251	C	S	.	.			trans	-59.1	132	175.2	-65.8	169.6	0	0	0	110	Y241 S249 Q254 I257 P306	Y241-I252 HydrophobicContact CE2-CB 4.46Å; Y241-I252 HydrophobicContact CE2-CG1 4.02Å; S249-I252 VanDerWaalsContact O-CD1 3.31Å; S249-I252 WeakPolarHBondContact O-CD1 3.31Å; S249-I252 WeakPolarHBondContact O-CG1 3.3Å; I252-Q254 VanDerWaalsContact C-N 3.25Å; I252-Q254 PolarHBondContact O-N 3.43Å; I252-I257 HydrophobicContact CG2-CD1 3.38Å; I252-P306 HydrophobicContact CG2-CG 4.27Å
253	P	95.2	Very high	92.8	Very high	25 Å²	25	49.2 Å²	49.2	16%	0.162	25%	0.248	C	C	.	.			trans	-74.6	73.5	-179	31.2	-37.5	0	0	0	111.9	D237 V238 Y241 E255 S256 I257	D237-P253 HydrophobicContact CB-CB 3.77Å; D237-P253 HydrophobicContact CB-CG 4.4Å; V238-P253 HydrophobicContact CB-CG 4.47Å; V238-P253 HydrophobicContact CG2-CG 4.19Å; Y241-P253 VanDerWaalsContact CD2-CD 3.46Å; Y241-P253 HydrophobicContact CD2-CG 4.45Å; Y241-P253 HydrophobicContact CG-CG 4.2Å; P253-E255 VanDerWaalsContact C-N 3.34Å; P253-E255 PolarHBondContact O-N 2.99Å; P253-S256 PolarHBondContact O-N 3.17Å; P253-I257 WeakPolarHBondContact O-CG1 3.48Å; P253-I257 PolarHBondContact O-N 2.89Å; P253-I257 VanDerWaalsContact O-N 3.07Å
254	Q	93.3	Very high	92.6	Very high	109 Å²	109	43 Å²	43	51%	0.509	22%	0.219	S	C	.	.	H	α-helix	trans	-61.1	-36.6	-169.7	-173.1	57.4	68.3	0	0	114	I252 R258	I252-Q254 VanDerWaalsContact C-N 3.25Å; I252-Q254 PolarHBondContact O-N 3.43Å; Q254-R258 WeakPolarHBondContact O-CB 3.35Å; Q254-R258 PolarHBondContact O-N 3.43Å
255	E	94.8	Very high	92.2	Very high	66 Å²	66	41 Å²	41	31%	0.308	21%	0.207	S	C	.	.	H	α-helix	trans	-67.9	-41	178.8	-64.9	-56.7	124.7	0	0	111.7	Q231 V233 P253 R258 L259	Q231-E255 PolarHBondContact NE2-OE2 3.4Å; V233-E255 HydrophobicContact CG1-CB 4.24Å; V233-E255 HydrophobicContact CG2-CB 4.21Å; P253-E255 VanDerWaalsContact C-N 3.34Å; P253-E255 PolarHBondContact O-N 2.99Å; E255-R258 PolarHBondContact O-N 2.96Å; E255-L259 PolarHBondContact O-N 2.87Å
256	S	96.7	Very high	92.1	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.007	18%	0.182	C	C	.	.	H	α-helix	trans	-65.8	-44.7	175.6	-169.8	0	0	0	0	111.3	S234 V238 P253 R258 L259 L260	S234-S256 WeakPolarHBondContact O-CB 3.3Å; S234-S256 PolarHBondContact O-OG 2.61Å; V238-S256 WeakPolarHBondContact CG2-OG 3.42Å; P253-S256 PolarHBondContact O-N 3.17Å; S256-R258 VanDerWaalsContact C-N 3.3Å; S256-R258 PolarHBondContact O-N 2.82Å; S256-L259 WeakPolarHBondContact O-CB 3.33Å; S256-L259 PolarHBondContact O-N 3.4Å; S256-L260 VanDerWaalsContact O-CG 3.29Å; S256-L260 WeakPolarHBondContact O-CG 3.42Å; S256-L260 PolarHBondContact O-N 3.47Å
257	I	96	Very high	91.9	Very high	12 Å²	12	29.3 Å²	29.3	6%	0.062	15%	0.147	C	C	.	.	H	α-helix	trans	-56	-46	173.5	-67.8	172.4	0	0	0	110.9	V238 I252 P253 L259 L260 D261 I304 P306	V238-I257 HydrophobicContact CG1-CG1 4.46Å; V238-I257 HydrophobicContact CG2-CG1 3.9Å; I252-I257 HydrophobicContact CG2-CD1 3.38Å; P253-I257 WeakPolarHBondContact O-CG1 3.48Å; P253-I257 PolarHBondContact O-N 2.89Å; P253-I257 VanDerWaalsContact O-N 3.07Å; I257-L259 PolarHBondContact O-N 3.28Å; I257-L260 PolarHBondContact O-N 2.92Å; I257-D261 WeakPolarHBondContact O-CB 3.45Å; I257-D261 PolarHBondContact O-N 3.42Å; I257-I304 HydrophobicContact CG1-CG2 4.45Å; I257-I304 HydrophobicContact CG2-CB 4.32Å; I257-P306 HydrophobicContact CD1-CG 4.07Å
258	R	94.2	Very high	91.5	Very high	80 Å²	80	29.4 Å²	29.4	30%	0.302	15%	0.148	S	C	.	.	H	α-helix	trans	-64.9	-40.1	-178.9	-166.8	174.1	177	-157.2	-13.6	112.2	D187 D191 Q254 E255 S256 C262	D187-R258 IonicContact OD2-CZ 3.75Å; D187-R258 IonicContact OD2-NH2 3.93Å; D187-R258 PolarHBondContact OD2-NH2 3.34Å; D191-R258 IonicContact OD2-CZ 2.74Å; D191-R258 VanDerWaalsContact OD2-CZ 3.29Å; D191-R258 IonicContact OD2-NH1 2.95Å; D191-R258 PolarHBondContact OD2-NH1 2.96Å; D191-R258 IonicContact OD2-NH2 3.73Å; D191-R258 PolarHBondContact OD2-NH2 2.98Å; Q254-R258 WeakPolarHBondContact O-CB 3.35Å; Q254-R258 PolarHBondContact O-N 3.43Å; E255-R258 PolarHBondContact O-N 2.96Å; S256-R258 VanDerWaalsContact C-N 3.3Å; S256-R258 PolarHBondContact O-N 2.82Å; R258-C262 PolarHBondContact O-N 3.34Å; R258-C262 VanDerWaalsContact O-N 3.07Å; R258-C262 PolarHBondContact O-SG 3.34Å
259	L	95.6	Very high	90.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-58	-51.2	172	164.9	62.7	0	0	0	111	V141 I185 Y193 V233 T235 E255 S256 I257 D261 C262 I263	V141-L259 HydrophobicContact CB-CD2 3.82Å; V141-L259 HydrophobicContact CG1-CD1 3.99Å; V141-L259 HydrophobicContact CG1-CD2 4.15Å; V141-L259 HydrophobicContact CG2-CD2 3.83Å; I185-L259 HydrophobicContact CD1-CD1 4Å; Y193-L259 HydrophobicContact CD1-CB 4.41Å; Y193-L259 HydrophobicContact CD1-CD1 3.77Å; Y193-L259 HydrophobicContact CD2-CD1 4.27Å; Y193-L259 HydrophobicContact CE1-CB 4.26Å; Y193-L259 HydrophobicContact CE1-CD1 4.41Å; Y193-L259 HydrophobicContact CG-CD1 3.69Å; V233-L259 HydrophobicContact CB-CD2 4.23Å; V233-L259 HydrophobicContact CG1-CB 4.33Å; V233-L259 HydrophobicContact CG1-CD2 3.92Å; T235-L259 HydrophobicContact CG2-CD2 4Å; E255-L259 PolarHBondContact O-N 2.87Å; S256-L259 WeakPolarHBondContact O-CB 3.33Å; S256-L259 PolarHBondContact O-N 3.4Å; I257-L259 PolarHBondContact O-N 3.28Å; L259-D261 PolarHBondContact O-N 2.89Å; L259-C262 WeakPolarHBondContact O-CB 3.33Å; L259-C262 PolarHBondContact O-N 2.91Å; L259-C262 VanDerWaalsContact O-N 3.1Å; L259-I263 HydrophobicContact CD1-CD1 4.21Å; L259-I263 HydrophobicContact CD1-CG1 4.39Å; L259-I263 HydrophobicContact CG-CD1 4.34Å; L259-I263 PolarHBondContact O-N 2.9Å
260	L	95.6	Very high	90	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-65.3	-39	-177.8	-62	179.3	0	0	0	112.3	F134 I136 T235 V238 S256 I257 C262 I263 L264 I304	F134-L260 HydrophobicContact CE1-CD1 4.27Å; F134-L260 HydrophobicContact CE1-CD2 4.44Å; I136-L260 HydrophobicContact CD1-CD2 3.38Å; I136-L260 HydrophobicContact CG2-CD2 4.35Å; T235-L260 HydrophobicContact CG2-CD2 4.24Å; V238-L260 HydrophobicContact CB-CD1 4.49Å; V238-L260 HydrophobicContact CG2-CD1 3.81Å; S256-L260 VanDerWaalsContact O-CG 3.29Å; S256-L260 WeakPolarHBondContact O-CG 3.42Å; S256-L260 PolarHBondContact O-N 3.47Å; I257-L260 PolarHBondContact O-N 2.92Å; L260-C262 VanDerWaalsContact C-N 3.27Å; L260-C262 PolarHBondContact O-N 3.11Å; L260-I263 HydrophobicContact CD2-CD1 4.2Å; L260-I263 WeakPolarHBondContact O-CB 3.4Å; L260-I263 PolarHBondContact O-N 2.87Å; L260-I263 VanDerWaalsContact O-N 3.15Å; L260-L264 WeakPolarHBondContact O-CG 3.47Å; L260-L264 PolarHBondContact O-N 3.38Å; L260-I304 HydrophobicContact CB-CB 4.44Å; L260-I304 HydrophobicContact CB-CD1 4.38Å; L260-I304 HydrophobicContact CB-CG1 3.49Å; L260-I304 VanDerWaalsContact CB-CG1 3.49Å; L260-I304 HydrophobicContact CD1-CG1 4.08Å; L260-I304 HydrophobicContact CD1-CG2 4.15Å; L260-I304 HydrophobicContact CG-CG1 4.45Å
261	D	93.5	Very high	89.2	Confident	42 Å²	42	37.6 Å²	37.6	23%	0.225	19%	0.188	C	C	.	.	H	α-helix	trans	-58.6	-40.2	171.8	-76.6	-6.8	0	0	0	111.5	I257 L259 L264 R265 S303 I304	I257-D261 WeakPolarHBondContact O-CB 3.45Å; I257-D261 PolarHBondContact O-N 3.42Å; L259-D261 PolarHBondContact O-N 2.89Å; D261-L264 PolarHBondContact O-N 3.33Å; D261-R265 WeakPolarHBondContact O-CB 3.38Å; D261-R265 PolarHBondContact O-N 3.43Å; D261-S303 VanDerWaalsContact OD1-CA 3.25Å; D261-S303 WeakPolarHBondContact OD1-CA 3.49Å; D261-I304 PolarHBondContact OD1-N 3.17Å
262	C	92	Very high	88.9	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.02	17%	0.17	C	C	.	.	H	α-helix	trans	-68.4	-34.9	176.4	-65.8	0	0	0	0	112.6	I185 R258 L259 L260 R265 T266	I185-C262 HydrophobicContact CG2-CB 3.37Å; R258-C262 PolarHBondContact O-N 3.34Å; R258-C262 VanDerWaalsContact O-N 3.07Å; R258-C262 PolarHBondContact O-SG 3.34Å; L259-C262 WeakPolarHBondContact O-CB 3.33Å; L259-C262 PolarHBondContact O-N 2.91Å; L259-C262 VanDerWaalsContact O-N 3.1Å; L260-C262 VanDerWaalsContact C-N 3.27Å; L260-C262 PolarHBondContact O-N 3.11Å; C262-R265 PolarHBondContact SG-NH2 3.41Å; C262-T266 WeakPolarHBondContact O-CB 3.41Å; C262-T266 PolarHBondContact O-N 2.96Å; C262-T266 PolarHBondContact O-OG1 3.32Å
263	I	92.2	Very high	88.5	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.4	-53.3	172.4	-68.2	171.5	0	0	0	109.8	I136 I185 L259 L260 R265 T266 V267 L477 F478 F481	I136-I263 HydrophobicContact CD1-CD1 4.32Å; I185-I263 HydrophobicContact CD1-CD1 3.97Å; I185-I263 HydrophobicContact CD1-CG1 3.46Å; I185-I263 VanDerWaalsContact CD1-CG1 3.46Å; I185-I263 HydrophobicContact CG1-CG1 4.01Å; I185-I263 HydrophobicContact CG2-CG1 4.39Å; L259-I263 HydrophobicContact CD1-CD1 4.21Å; L259-I263 HydrophobicContact CD1-CG1 4.39Å; L259-I263 HydrophobicContact CG-CD1 4.34Å; L259-I263 PolarHBondContact O-N 2.9Å; L260-I263 HydrophobicContact CD2-CD1 4.2Å; L260-I263 WeakPolarHBondContact O-CB 3.4Å; L260-I263 PolarHBondContact O-N 2.87Å; L260-I263 VanDerWaalsContact O-N 3.15Å; I263-R265 PolarHBondContact O-N 3.2Å; I263-T266 PolarHBondContact O-N 2.9Å; I263-T266 VanDerWaalsContact O-N 3.1Å; I263-V267 HydrophobicContact CG2-CG2 4.27Å; I263-V267 VanDerWaalsContact O-CG2 3.29Å; I263-V267 WeakPolarHBondContact O-CG2 3.31Å; I263-V267 PolarHBondContact O-N 3.22Å; I263-L477 HydrophobicContact CG2-CB 4.48Å; I263-F478 HydrophobicContact CG2-CD2 4.35Å; I263-F478 HydrophobicContact CG2-CE2 4.21Å; I263-F481 HydrophobicContact CD1-CD2 3.97Å; I263-F481 HydrophobicContact CD1-CE2 3.93Å; I263-F481 HydrophobicContact CD1-CG 4.39Å; I263-F481 HydrophobicContact CD1-CZ 4.28Å
264	L	90.6	Very high	87.7	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-55.2	-42.9	178.5	-70.4	176.5	0	0	0	111.4	F134 L260 D261 S268 A302 I304 V312 F478 I485	F134-L264 HydrophobicContact CE2-CD2 4.34Å; L260-L264 WeakPolarHBondContact O-CG 3.47Å; L260-L264 PolarHBondContact O-N 3.38Å; D261-L264 PolarHBondContact O-N 3.33Å; L264-S268 WeakPolarHBondContact O-CB 3.48Å; L264-S268 PolarHBondContact O-N 2.98Å; L264-S268 PolarHBondContact O-OG 2.96Å; L264-A302 HydrophobicContact CD1-CB 4.41Å; L264-I304 HydrophobicContact CD1-CD1 3.65Å; L264-I304 HydrophobicContact CD1-CG1 4.08Å; L264-V312 HydrophobicContact CD1-CB 4.47Å; L264-V312 HydrophobicContact CD1-CG1 3.62Å; L264-V312 HydrophobicContact CD1-CG2 4.04Å; L264-V312 HydrophobicContact CD2-CG2 4.36Å; L264-F478 HydrophobicContact CD2-CE2 4.35Å; L264-F478 HydrophobicContact CD2-CZ 4.12Å; L264-I485 HydrophobicContact CD2-CD1 3.83Å
265	R	87.7	Confident	86.8	Confident	27 Å²	27	32.9 Å²	32.9	10%	0.102	17%	0.168	C	C	.	.	H	α-helix	trans	-65.3	-44.8	178.3	-173	-179.2	59.2	-134.4	-15.3	111.7	Y186 D187 D261 C262 I263 S268 K269 R277 L280	Y186-R265 PolarHBondContact O-NH2 3.14Å; D187-R265 VanDerWaalsContact C-NH2 3.27Å; D187-R265 PolarHBondContact O-NH1 3Å; D187-R265 PolarHBondContact O-NH2 3.26Å; D187-R265 VanDerWaalsContact O-NH2 3.14Å; D261-R265 WeakPolarHBondContact O-CB 3.38Å; D261-R265 PolarHBondContact O-N 3.43Å; C262-R265 PolarHBondContact SG-NH2 3.41Å; I263-R265 PolarHBondContact O-N 3.2Å; R265-S268 PolarHBondContact O-N 2.81Å; R265-K269 WeakPolarHBondContact O-CG 3.42Å; R265-K269 PolarHBondContact O-N 3.31Å; R265-R277 PolarHBondContact NH1-O 3.48Å; R265-L280 HydrophobicContact CG-CD1 4.22Å; R265-L280 HydrophobicContact CG-CD2 3.8Å; R265-L280 HydrophobicContact CG-CG 4.14Å
266	T	87	Confident	85.5	Confident	19 Å²	19	32.3 Å²	32.3	12%	0.117	18%	0.18	C	C	.	.	H	α-helix	trans	-64.3	-45	-177.2	-59	0	0	0	0	111.4	C262 I263 S268 K269 L477	C262-T266 WeakPolarHBondContact O-CB 3.41Å; C262-T266 PolarHBondContact O-N 2.96Å; C262-T266 PolarHBondContact O-OG1 3.32Å; I263-T266 PolarHBondContact O-N 2.9Å; I263-T266 VanDerWaalsContact O-N 3.1Å; T266-S268 PolarHBondContact O-N 2.85Å; T266-K269 WeakPolarHBondContact O-CB 3.17Å; T266-K269 PolarHBondContact O-N 2.85Å; T266-L477 HydrophobicContact CG2-CD1 3.61Å
267	V	86.1	Confident	84.3	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.006	21%	0.205	C	C	.	.	H	α-helix	trans	-62.2	-30.6	176.8	174.8	0	0	0	0	111.9	I263 I471 S472 H475 L477 F478	I263-V267 HydrophobicContact CG2-CG2 4.27Å; I263-V267 VanDerWaalsContact O-CG2 3.29Å; I263-V267 WeakPolarHBondContact O-CG2 3.31Å; I263-V267 PolarHBondContact O-N 3.22Å; V267-I471 HydrophobicContact CG1-CG2 3.64Å; V267-S472 WeakPolarHBondContact CG1-O 3.5Å; V267-H475 HydrophobicContact CB-CB 4.4Å; V267-H475 HydrophobicContact CG1-CB 3.73Å; V267-H475 HydrophobicContact CG2-CB 4.15Å; V267-L477 HydrophobicContact CG2-CB 4.02Å; V267-L477 HydrophobicContact CG2-CD1 4.28Å; V267-F478 HydrophobicContact CB-CD2 4.35Å; V267-F478 HydrophobicContact CB-CE2 4.13Å; V267-F478 HydrophobicContact CG1-CD2 4.14Å; V267-F478 HydrophobicContact CG1-CE2 4.02Å; V267-F478 HydrophobicContact CG1-CG 4.46Å; V267-F478 HydrophobicContact CG1-CZ 4.21Å; V267-F478 HydrophobicContact CG2-CD2 3.56Å; V267-F478 HydrophobicContact CG2-CE2 3.69Å; V267-F478 HydrophobicContact CG2-CG 4.45Å
268	S	84	Confident	83.2	Confident	8 Å²	8	42.6 Å²	42.6	6%	0.056	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-84.7	-3.9	-178.3	-54.4	0	0	0	0	114.1	L264 R265 T266 Q270	L264-S268 WeakPolarHBondContact O-CB 3.48Å; L264-S268 PolarHBondContact O-N 2.98Å; L264-S268 PolarHBondContact O-OG 2.96Å; R265-S268 PolarHBondContact O-N 2.81Å; T266-S268 PolarHBondContact O-N 2.85Å; S268-Q270 VanDerWaalsContact C-N 3.29Å; S268-Q270 PolarHBondContact O-N 2.91Å
269	K	77.5	Confident	82.9	Confident	75 Å²	75	39.1 Å²	39.1	33%	0.326	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-72.4	-15.5	-178.5	-76.7	174	-176.7	170.5	0	114.3	R265 T266 S271	R265-K269 WeakPolarHBondContact O-CG 3.42Å; R265-K269 PolarHBondContact O-N 3.31Å; T266-K269 WeakPolarHBondContact O-CB 3.17Å; T266-K269 PolarHBondContact O-N 2.85Å; K269-S271 PolarHBondContact O-N 3.39Å
270	Q	70.2	Confident	82.5	Confident	128 Å²	128	39.6 Å²	39.6	60%	0.598	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-60.7	-30.1	-178.6	-70	-173.3	-19.3	0	0	112.8	S268 S472	S268-Q270 VanDerWaalsContact C-N 3.29Å; S268-Q270 PolarHBondContact O-N 2.91Å; Q270-S472 PolarHBondContact OE1-OG 2.89Å
271	S	70.1	Confident	82.3	Confident	73 Å²	73	39.7 Å²	39.7	51%	0.51	22%	0.222	S	C	.	.	S	Bend	trans	-119.1	-3.7	-176.1	-52.7	0	0	0	0	114.1	K269	K269-S271 PolarHBondContact O-N 3.39Å
272	L	83.8	Confident	82.2	Confident	11 Å²	11	40.6 Å²	40.6	6%	0.058	22%	0.222	C	C	.	.	S	Bend	trans	-140.1	148	-169.7	-64.9	169.5	0	0	0	112.3	L280 Y282 F300 F467	L272-L280 HydrophobicContact CB-CB 3.89Å; L272-L280 HydrophobicContact CD1-CB 3.75Å; L272-L280 HydrophobicContact CD1-CD1 4.23Å; L272-L280 HydrophobicContact CG-CB 4.41Å; L272-Y282 HydrophobicContact CD2-CD1 3.4Å; L272-Y282 HydrophobicContact CD2-CD2 4.08Å; L272-Y282 HydrophobicContact CD2-CE1 3.54Å; L272-Y282 HydrophobicContact CD2-CE2 4.23Å; L272-Y282 HydrophobicContact CD2-CG 3.69Å; L272-F300 HydrophobicContact CD1-CD2 4.15Å; L272-F467 HydrophobicContact CD1-CD2 4.14Å; L272-F467 HydrophobicContact CD1-CE2 3.4Å; L272-F467 HydrophobicContact CD1-CZ 4.14Å
273	I	82.7	Confident	82	Confident	59 Å²	59	45.2 Å²	45.2	30%	0.303	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.2	177.8	-57.3	172.4	0	0	0	109.3	L275 F281 D283 F435	I273-L275 HydrophobicContact CG2-CD2 3.84Å; I273-L275 HydrophobicContact CG2-CG 4.05Å; I273-F281 PolarHBondContact N-O 2.82Å; I273-F281 PolarHBondContact O-N 2.83Å; I273-D283 HydrophobicContact CD1-CB 3.66Å; I273-F435 HydrophobicContact CD1-CE2 3.77Å; I273-F435 HydrophobicContact CD1-CZ 3.59Å; I273-F435 HydrophobicContact CG2-CE2 4.21Å
274	S	78.4	Confident	81.9	Confident	45 Å²	45	53.4 Å²	53.4	32%	0.315	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	116.1	175.1	-174.7	0	0	0	0	110.8	G276	S274-G276 PolarHBondContact OG-O 3.23Å
275	L	73.2	Confident	82.1	Confident	36 Å²	36	56.1 Å²	56.1	19%	0.188	30%	0.3	C	S	.	.			trans	-119.2	82.1	-179.7	-59.5	172.3	0	0	0	109.7	I273 F281 F321 F435	I273-L275 HydrophobicContact CG2-CD2 3.84Å; I273-L275 HydrophobicContact CG2-CG 4.05Å; L275-F281 HydrophobicContact CB-CD2 3.81Å; L275-F281 HydrophobicContact CB-CE2 4.08Å; L275-F281 HydrophobicContact CD1-CB 4.07Å; L275-F281 HydrophobicContact CD1-CD2 3.8Å; L275-F281 HydrophobicContact CD1-CG 4.11Å; L275-F281 HydrophobicContact CG-CD2 4.09Å; L275-F321 HydrophobicContact CB-CZ 4.43Å; L275-F321 HydrophobicContact CD1-CE1 4.01Å; L275-F321 HydrophobicContact CD1-CE2 3.78Å; L275-F321 HydrophobicContact CD1-CZ 3.31Å; L275-F321 HydrophobicContact CG-CZ 4.46Å; L275-F435 HydrophobicContact CD1-CB 3.88Å; L275-F435 HydrophobicContact CD1-CD1 3.31Å; L275-F435 HydrophobicContact CD1-CD2 4.17Å; L275-F435 HydrophobicContact CD1-CE1 3.85Å; L275-F435 HydrophobicContact CD1-CG 3.5Å; L275-F435 VanDerWaalsContact CD1-CG 3.5Å; L275-F435 HydrophobicContact CD1-CZ 4.48Å; L275-F435 HydrophobicContact CD2-CB 3.72Å; L275-F435 HydrophobicContact CD2-CD1 4.31Å; L275-F435 HydrophobicContact CD2-CD2 3.67Å; L275-F435 HydrophobicContact CD2-CE2 4.39Å; L275-F435 HydrophobicContact CD2-CG 3.61Å; L275-F435 HydrophobicContact CG-CB 4.45Å; L275-F435 HydrophobicContact CG-CD1 4.44Å; L275-F435 HydrophobicContact CG-CG 4.22Å
276	G	69.2	Low	82.5	Confident	54 Å²	54	58.4 Å²	58.4	56%	0.557	32%	0.317	S	S	*	.	S	Bend	trans	97.9	-165.6	-174.6	0	0	0	0	0	112.7	S274	S274-G276 PolarHBondContact OG-O 3.23Å
277	R	70.1	Confident	82.9	Confident	144 Å²	144	61.3 Å²	61.3	54%	0.543	33%	0.328	S	S	.	.	S	Bend	trans	-82.7	-30.8	-168.8	-67.4	-176.1	179.6	174.5	-2	114.6	R265	R265-R277 PolarHBondContact NH1-O 3.48Å
278	S	73.1	Confident	83.4	Confident	85 Å²	85	64.2 Å²	64.2	59%	0.594	35%	0.346	S	S	*	.	S	Bend	trans	-112.7	-13.6	-163.2	54.4	0	0	0	0	116.5
279	A	87.3	Confident	84	Confident	7 Å²	7	64.3 Å²	64.3	6%	0.058	35%	0.345	C	S	.	.			trans	-137.2	149.7	-171.4	0	0	0	0	0	113.2	F281 F300 I301 T317	A279-F281 HydrophobicContact CB-CD2 4.4Å; A279-F281 HydrophobicContact CB-CE2 3.54Å; A279-F281 HydrophobicContact CB-CZ 3.77Å; A279-F300 WeakPolarHBondContact CA-O 3.29Å; A279-I301 HydrophobicContact CB-CG1 3.94Å; A279-T317 HydrophobicContact CB-CG2 3.9Å
280	L	88.7	Confident	84.8	Confident	10 Å²	10	62 Å²	62	5%	0.052	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	135.6	176.2	-66.2	172.8	0	0	0	109.1	R265 L272 G299 F300	R265-L280 HydrophobicContact CG-CD1 4.22Å; R265-L280 HydrophobicContact CG-CD2 3.8Å; R265-L280 HydrophobicContact CG-CG 4.14Å; L272-L280 HydrophobicContact CB-CB 3.89Å; L272-L280 HydrophobicContact CD1-CB 3.75Å; L272-L280 HydrophobicContact CD1-CD1 4.23Å; L272-L280 HydrophobicContact CG-CB 4.41Å; L280-G299 CarbonylContact O-C 3.56Å; L280-G299 WeakPolarHBondContact O-CA 3.44Å; L280-F300 PolarHBondContact N-O 3.31Å; L280-F300 PolarHBondContact O-N 2.83Å
281	F	91.2	Very high	85.9	Confident	5 Å²	5	60.6 Å²	60.6	2%	0.022	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	146.6	-173.4	-65.4	-89.9	0	0	0	112.1	I273 L275 A279 H297 T317 K319	I273-F281 PolarHBondContact N-O 2.82Å; I273-F281 PolarHBondContact O-N 2.83Å; L275-F281 HydrophobicContact CB-CD2 3.81Å; L275-F281 HydrophobicContact CB-CE2 4.08Å; L275-F281 HydrophobicContact CD1-CB 4.07Å; L275-F281 HydrophobicContact CD1-CD2 3.8Å; L275-F281 HydrophobicContact CD1-CG 4.11Å; L275-F281 HydrophobicContact CG-CD2 4.09Å; A279-F281 HydrophobicContact CB-CD2 4.4Å; A279-F281 HydrophobicContact CB-CE2 3.54Å; A279-F281 HydrophobicContact CB-CZ 3.77Å; F281-H297 HydrophobicContact CD1-CB 4.39Å; F281-T317 HydrophobicContact CE1-CG2 3.9Å; F281-T317 HydrophobicContact CZ-CG2 3.98Å; F281-K319 HydrophobicContact CD1-CB 4.34Å; F281-K319 HydrophobicContact CE1-CB 3.46Å; F281-K319 VanDerWaalsContact CE1-CB 3.46Å; F281-K319 HydrophobicContact CE2-CD 4.47Å; F281-K319 HydrophobicContact CZ-CB 3.66Å; F281-K319 HydrophobicContact CZ-CD 4.01Å; F281-K319 HydrophobicContact CZ-CG 4.5Å
282	Y	90.4	Very high	87	Confident	60 Å²	60	59.7 Å²	59.7	24%	0.235	32%	0.324	C	S	.	.			trans	-69.3	140.5	165.1	-69.3	-70.5	0	0	0	110	L272 K284 H297 R298 F300	L272-Y282 HydrophobicContact CD2-CD1 3.4Å; L272-Y282 HydrophobicContact CD2-CD2 4.08Å; L272-Y282 HydrophobicContact CD2-CE1 3.54Å; L272-Y282 HydrophobicContact CD2-CE2 4.23Å; L272-Y282 HydrophobicContact CD2-CG 3.69Å; Y282-K284 VanDerWaalsContact C-N 3.34Å; Y282-H297 PolarHBondContact O-ND1 2.84Å; Y282-R298 HydrophobicContact CD2-CB 4.44Å; Y282-R298 HydrophobicContact CD2-CG 4.48Å; Y282-R298 WeakPolarHBondContact CD2-O 3.26Å; Y282-R298 PolarHBondContact N-O 3.11Å; Y282-F300 HydrophobicContact CD2-CE2 4.36Å; Y282-F300 HydrophobicContact CE2-CD2 4.34Å; Y282-F300 AromaticContact CE2-CE2 3.37Å; Y282-F300 HydrophobicContact CE2-CE2 3.37Å; Y282-F300 AromaticContact CE2-CZ 3.98Å; Y282-F300 HydrophobicContact CE2-CZ 3.98Å; Y282-F300 AromaticContact CZ-CE2 3.69Å; Y282-F300 WeakPolarHBondContact OH-CE2 3.27Å
283	D	88	Confident	87.6	Confident	100 Å²	100	59.2 Å²	59.2	54%	0.535	32%	0.322	S	S	.	.	S	Bend	trans	-63.3	-41.5	175.4	-173.2	33.9	0	0	0	111.6	I273 H297 F435	I273-D283 HydrophobicContact CD1-CB 3.66Å; D283-H297 PolarHBondContact O-CE1 3.29Å; D283-H297 PolarHBondContact O-ND1 2.68Å; D283-F435 WeakPolarHBondContact OD1-CZ 3.41Å
284	K	91.6	Very high	88.3	Confident	173 Å²	173	56.4 Å²	56.4	75%	0.752	31%	0.307	S	S	*	.	S	Bend	trans	-73.5	131.4	178.8	-64.6	-175	-179.5	-178.9	0	111.7	Y282	Y282-K284 VanDerWaalsContact C-N 3.34Å
285	P	94.3	Very high	89.1	Confident	58 Å²	58	54.7 Å²	54.7	38%	0.377	30%	0.295	S	S	.	.			trans	-70.1	146.5	174.9	28.9	-34	0	0	0	111.4	V288 I296	P285-V288 HydrophobicContact CB-CG2 4.15Å; P285-V288 HydrophobicContact CG-CG2 3.8Å; P285-I296 CarbonylContact C-O 3.59Å; P285-I296 WeakPolarHBondContact CA-O 3.43Å
286	V	95.1	Very high	90.3	Very high	75 Å²	75	53 Å²	53	46%	0.455	29%	0.286	S	S	.	.	S	Bend	trans	-79.3	-33.6	170.4	175.4	0	0	0	0	111.1	I296 R298	V286-I296 PolarHBondContact N-O 3.24Å; V286-R298 HydrophobicContact CG2-CB 3.47Å; V286-R298 VanDerWaalsContact CG2-CB 3.47Å
287	K	96	Very high	91.5	Very high	80 Å²	80	51 Å²	51	35%	0.348	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	140	179.4	-168.8	178.5	-179.3	-173.1	0	110.1	I289 S295 I296 E448	K287-I289 HydrophobicContact CB-CD1 4.35Å; K287-I289 HydrophobicContact CD-CD1 4.33Å; K287-I289 HydrophobicContact CG-CD1 4.06Å; K287-S295 CarbonylContact O-C 3.52Å; K287-S295 WeakPolarHBondContact O-CA 3.3Å; K287-I296 PolarHBondContact N-O 2.91Å; K287-I296 PolarHBondContact O-N 2.67Å; K287-E448 IonicContact NZ-OE2 2.84Å; K287-E448 PolarHBondContact NZ-OE2 3.21Å
288	V	96.3	Very high	92.6	Very high	63 Å²	63	47.1 Å²	47.1	38%	0.382	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.4	174.3	-179.4	0	0	0	0	108.6	P285	P285-V288 HydrophobicContact CB-CG2 4.15Å; P285-V288 HydrophobicContact CG-CG2 3.8Å
289	I	95.9	Very high	93.6	Very high	9 Å²	9	43 Å²	43	5%	0.046	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	80.5	-177.7	-54.4	78.2	0	0	0	106.9	K287 D291 K292 L293 F294 I296 E448	K287-I289 HydrophobicContact CB-CD1 4.35Å; K287-I289 HydrophobicContact CD-CD1 4.33Å; K287-I289 HydrophobicContact CG-CD1 4.06Å; I289-D291 WeakPolarHBondContact CG2-OD1 3.15Å; I289-D291 PolarHBondContact O-N 2.79Å; I289-K292 HydrophobicContact CG2-CB 3.92Å; I289-K292 HydrophobicContact CG2-CD 4.21Å; I289-K292 HydrophobicContact CG2-CG 4.06Å; I289-K292 CarbonylContact O-C 3.53Å; I289-K292 PolarHBondContact O-N 2.91Å; I289-L293 PolarHBondContact O-N 3.07Å; I289-F294 WeakPolarHBondContact CA-O 3.41Å; I289-F294 HydrophobicContact CB-CD2 4.27Å; I289-F294 HydrophobicContact CB-CE1 4.3Å; I289-F294 HydrophobicContact CB-CE2 4.01Å; I289-F294 HydrophobicContact CB-CZ 4.02Å; I289-F294 WeakPolarHBondContact CB-O 3.39Å; I289-F294 HydrophobicContact CD1-CD2 3.76Å; I289-F294 HydrophobicContact CD1-CE2 3.46Å; I289-F294 VanDerWaalsContact CD1-CE2 3.46Å; I289-F294 HydrophobicContact CD1-CZ 4.24Å; I289-F294 HydrophobicContact CG1-CD2 4.28Å; I289-F294 HydrophobicContact CG1-CE2 3.73Å; I289-F294 HydrophobicContact CG1-CZ 3.98Å; I289-F294 HydrophobicContact CG2-CE1 4.19Å; I289-F294 HydrophobicContact CG2-CZ 4.09Å; I289-F294 PolarHBondContact N-O 2.83Å; I289-F294 PolarHBondContact O-N 3.28Å; I289-I296 HydrophobicContact CD1-CD1 3.81Å; I289-I296 HydrophobicContact CD1-CG1 3.84Å; I289-E448 HydrophobicContact CG1-CB 4.45Å; I289-E448 HydrophobicContact CG1-CG 4.23Å
290	A	94.3	Very high	93.9	Very high	27 Å²	27	42.9 Å²	42.9	22%	0.223	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-62.1	-42.6	-170.4	0	0	0	0	0	112.7	K292 L293 E333	A290-K292 PolarHBondContact O-N 2.87Å; A290-L293 PolarHBondContact O-N 3.48Å; A290-E333 HydrophobicContact CB-CB 4.39Å
291	D	93.4	Very high	94	Very high	98 Å²	98	43.3 Å²	43.3	52%	0.524	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-60.6	-21.2	179.6	64.2	-53.9	0	0	0	113.4	I289 K334	I289-D291 WeakPolarHBondContact CG2-OD1 3.15Å; I289-D291 PolarHBondContact O-N 2.79Å; D291-K334 WeakPolarHBondContact O-CD 3.43Å; D291-K334 WeakPolarHBondContact O-CE 3.2Å; D291-K334 PolarHBondContact O-NZ 3.45Å
292	K	94.2	Very high	94.1	Very high	54 Å²	54	44.3 Å²	44.3	24%	0.235	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-115.7	6.2	178.3	-55.9	-174.8	-174	176.5	0	113.9	I289 A290 F294 A440 D444	I289-K292 HydrophobicContact CG2-CB 3.92Å; I289-K292 HydrophobicContact CG2-CD 4.21Å; I289-K292 HydrophobicContact CG2-CG 4.06Å; I289-K292 CarbonylContact O-C 3.53Å; I289-K292 PolarHBondContact O-N 2.91Å; A290-K292 PolarHBondContact O-N 2.87Å; K292-F294 VanDerWaalsContact C-N 3.33Å; K292-F294 HydrophobicContact CB-CD1 3.6Å; K292-F294 HydrophobicContact CB-CE1 3.39Å; K292-F294 HydrophobicContact CB-CZ 4.48Å; K292-F294 HydrophobicContact CD-CE1 3.91Å; K292-F294 HydrophobicContact CG-CE1 4.25Å; K292-F294 WeakPolarHBondContact O-CD1 3.41Å; K292-F294 PolarHBondContact O-N 2.8Å; K292-A440 HydrophobicContact CB-CB 4.3Å; K292-D444 HydrophobicContact CD-CB 3.84Å; K292-D444 VanDerWaalsContact NZ-CG 3.31Å; K292-D444 IonicContact NZ-OD1 2.79Å; K292-D444 PolarHBondContact NZ-OD1 2.86Å
293	L	96.2	Very high	94.2	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	34.9	175.5	-56.1	171.5	0	0	0	115.2	I289 A290 F322 R323 V330 M331 K334 D349	I289-L293 PolarHBondContact O-N 3.07Å; A290-L293 PolarHBondContact O-N 3.48Å; L293-F322 HydrophobicContact CB-CE1 4.49Å; L293-F322 HydrophobicContact CB-CE2 3.93Å; L293-F322 HydrophobicContact CB-CZ 3.87Å; L293-F322 HydrophobicContact CD1-CE2 4.32Å; L293-F322 HydrophobicContact CD1-CZ 4Å; L293-F322 HydrophobicContact CG-CZ 4.49Å; L293-R323 PolarHBondContact O-N 3.04Å; L293-R323 VanDerWaalsContact O-N 3.09Å; L293-V330 HydrophobicContact CD2-CG1 4.03Å; L293-M331 HydrophobicContact CD1-CE 4.34Å; L293-M331 HydrophobicContact CD1-SD 3.88Å; L293-M331 HydrophobicContact CD2-SD 4.12Å; L293-K334 HydrophobicContact CD1-CD 3.83Å; L293-K334 HydrophobicContact CD2-CB 3.76Å; L293-K334 HydrophobicContact CD2-CD 3.86Å; L293-K334 HydrophobicContact CD2-CG 4.45Å; L293-K334 HydrophobicContact CG-CB 4.45Å; L293-K334 HydrophobicContact CG-CD 3.6Å; L293-D349 HydrophobicContact CD1-CB 3.61Å
294	F	96.8	Very high	94.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	154	174	70.6	-97.4	0	0	0	112.9	I289 K292 I296 A320 F321 P438 A440 V445 E448	I289-F294 WeakPolarHBondContact CA-O 3.41Å; I289-F294 HydrophobicContact CB-CD2 4.27Å; I289-F294 HydrophobicContact CB-CE1 4.3Å; I289-F294 HydrophobicContact CB-CE2 4.01Å; I289-F294 HydrophobicContact CB-CZ 4.02Å; I289-F294 WeakPolarHBondContact CB-O 3.39Å; I289-F294 HydrophobicContact CD1-CD2 3.76Å; I289-F294 HydrophobicContact CD1-CE2 3.46Å; I289-F294 VanDerWaalsContact CD1-CE2 3.46Å; I289-F294 HydrophobicContact CD1-CZ 4.24Å; I289-F294 HydrophobicContact CG1-CD2 4.28Å; I289-F294 HydrophobicContact CG1-CE2 3.73Å; I289-F294 HydrophobicContact CG1-CZ 3.98Å; I289-F294 HydrophobicContact CG2-CE1 4.19Å; I289-F294 HydrophobicContact CG2-CZ 4.09Å; I289-F294 PolarHBondContact N-O 2.83Å; I289-F294 PolarHBondContact O-N 3.28Å; K292-F294 VanDerWaalsContact C-N 3.33Å; K292-F294 HydrophobicContact CB-CD1 3.6Å; K292-F294 HydrophobicContact CB-CE1 3.39Å; K292-F294 HydrophobicContact CB-CZ 4.48Å; K292-F294 HydrophobicContact CD-CE1 3.91Å; K292-F294 HydrophobicContact CG-CE1 4.25Å; K292-F294 WeakPolarHBondContact O-CD1 3.41Å; K292-F294 PolarHBondContact O-N 2.8Å; F294-I296 HydrophobicContact CD2-CG1 4.2Å; F294-I296 HydrophobicContact CE2-CD1 4.14Å; F294-I296 HydrophobicContact CE2-CG1 4.03Å; F294-A320 HydrophobicContact CD2-CB 3.84Å; F294-A320 HydrophobicContact CE2-CB 4.32Å; F294-F321 CarbonylContact C-O 3.46Å; F294-F321 WeakPolarHBondContact CA-O 3.31Å; F294-F321 VanDerWaalsContact CB-O 3.22Å; F294-F321 WeakPolarHBondContact CB-O 3.48Å; F294-P438 HydrophobicContact CB-CB 3.79Å; F294-P438 HydrophobicContact CG-CB 4.4Å; F294-A440 HydrophobicContact CD1-CB 3.76Å; F294-A440 HydrophobicContact CE1-CB 3.95Å; F294-V445 HydrophobicContact CD1-CG2 4.3Å; F294-V445 HydrophobicContact CE1-CG2 4.13Å; F294-V445 HydrophobicContact CZ-CG2 4.36Å; F294-E448 HydrophobicContact CE2-CB 4.03Å; F294-E448 HydrophobicContact CE2-CG 4.45Å; F294-E448 HydrophobicContact CZ-CB 3.97Å; F294-E448 HydrophobicContact CZ-CG 3.96Å
295	S	96.6	Very high	94.8	Very high	9 Å²	9	33.2 Å²	33.2	6%	0.063	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	147.2	172.7	57.8	0	0	0	0	109.9	K287 H297 A320 F321	K287-S295 CarbonylContact O-C 3.52Å; K287-S295 WeakPolarHBondContact O-CA 3.3Å; S295-H297 PolarHBondContact OG-NE2 3.37Å; S295-A320 CarbonylContact O-C 3.55Å; S295-A320 VanDerWaalsContact O-CA 3.26Å; S295-A320 WeakPolarHBondContact O-CA 3.3Å; S295-F321 PolarHBondContact N-O 2.87Å; S295-F321 PolarHBondContact O-N 3.31Å
296	I	96.8	Very high	94.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.9	178	-62.1	172.1	0	0	0	108.3	P285 V286 K287 I289 F294 Y318 A320 E448 V449 C452	P285-I296 CarbonylContact C-O 3.59Å; P285-I296 WeakPolarHBondContact CA-O 3.43Å; V286-I296 PolarHBondContact N-O 3.24Å; K287-I296 PolarHBondContact N-O 2.91Å; K287-I296 PolarHBondContact O-N 2.67Å; I289-I296 HydrophobicContact CD1-CD1 3.81Å; I289-I296 HydrophobicContact CD1-CG1 3.84Å; F294-I296 HydrophobicContact CD2-CG1 4.2Å; F294-I296 HydrophobicContact CE2-CD1 4.14Å; F294-I296 HydrophobicContact CE2-CG1 4.03Å; I296-Y318 HydrophobicContact CG2-CD1 4.01Å; I296-A320 HydrophobicContact CG1-CB 4.3Å; I296-E448 VanDerWaalsContact CD1-C 3.49Å; I296-E448 HydrophobicContact CD1-CB 3.72Å; I296-V449 HydrophobicContact CD1-CG2 4.03Å; I296-V449 HydrophobicContact CG1-CG2 4.17Å; I296-V449 HydrophobicContact CG2-CG2 4.49Å; I296-C452 HydrophobicContact CD1-CB 4.44Å; I296-C452 HydrophobicContact CG2-CB 4.13Å
297	H	94.9	Very high	94.9	Very high	12 Å²	12	28.5 Å²	28.5	6%	0.056	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	139.4	177.8	-64.8	-116.5	0	0	0	109.4	F281 Y282 D283 S295 Y318 K319 F321	F281-H297 HydrophobicContact CD1-CB 4.39Å; Y282-H297 PolarHBondContact O-ND1 2.84Å; D283-H297 PolarHBondContact O-CE1 3.29Å; D283-H297 PolarHBondContact O-ND1 2.68Å; S295-H297 PolarHBondContact OG-NE2 3.37Å; H297-Y318 WeakPolarHBondContact O-CA 3.37Å; H297-K319 PolarHBondContact N-O 2.87Å; H297-K319 PolarHBondContact O-N 3.33Å; H297-F321 HydrophobicContact CB-CD2 4.19Å; H297-F321 HydrophobicContact CB-CE2 4.07Å; H297-F321 AromaticContact CD2-CD2 3.6Å; H297-F321 AromaticContact CG-CD2 3.97Å
298	R	94.2	Very high	94.8	Very high	62 Å²	62	28.6 Å²	28.6	23%	0.234	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	145.6	173.3	176.2	-179.2	66.2	-166.6	-0	109.4	Y282 V286 M316 Y318 E463	Y282-R298 HydrophobicContact CD2-CB 4.44Å; Y282-R298 HydrophobicContact CD2-CG 4.48Å; Y282-R298 WeakPolarHBondContact CD2-O 3.26Å; Y282-R298 PolarHBondContact N-O 3.11Å; V286-R298 HydrophobicContact CG2-CB 3.47Å; V286-R298 VanDerWaalsContact CG2-CB 3.47Å; R298-M316 HydrophobicContact CG-CE 4.25Å; R298-Y318 HydrophobicContact CB-CD1 4.17Å; R298-Y318 HydrophobicContact CB-CE1 3.89Å; R298-Y318 HydrophobicContact CG-CE1 4.08Å; R298-E463 IonicContact CZ-OE2 2.92Å; R298-E463 IonicContact NE-OE2 2.85Å; R298-E463 IonicContact NH1-OE2 3.97Å; R298-E463 PolarHBondContact NH1-OE2 3.07Å; R298-E463 IonicContact NH2-OE2 3.24Å; R298-E463 PolarHBondContact NH2-OE2 2.91Å
299	G	93.2	Very high	94.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	-173.7	176.3	0	0	0	0	0	112.3	L280 T317	L280-G299 CarbonylContact O-C 3.56Å; L280-G299 WeakPolarHBondContact O-CA 3.44Å; G299-T317 PolarHBondContact N-O 3.15Å; G299-T317 PolarHBondContact O-N 2.96Å
300	F	93	Very high	94.9	Very high	3 Å²	3	30.6 Å²	30.6	1%	0.013	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	150.7	178.2	-57.3	-83	0	0	0	111.3	L272 A279 L280 Y282 D315 M316 L464 F467	L272-F300 HydrophobicContact CD1-CD2 4.15Å; A279-F300 WeakPolarHBondContact CA-O 3.29Å; L280-F300 PolarHBondContact N-O 3.31Å; L280-F300 PolarHBondContact O-N 2.83Å; Y282-F300 HydrophobicContact CD2-CE2 4.36Å; Y282-F300 HydrophobicContact CE2-CD2 4.34Å; Y282-F300 AromaticContact CE2-CE2 3.37Å; Y282-F300 HydrophobicContact CE2-CE2 3.37Å; Y282-F300 AromaticContact CE2-CZ 3.98Å; Y282-F300 HydrophobicContact CE2-CZ 3.98Å; Y282-F300 AromaticContact CZ-CE2 3.69Å; Y282-F300 WeakPolarHBondContact OH-CE2 3.27Å; F300-D315 WeakPolarHBondContact CA-O 3.36Å; F300-M316 HydrophobicContact CD1-CG 4.28Å; F300-M316 HydrophobicContact CE1-CG 3.97Å; F300-L464 HydrophobicContact CD1-CD2 3.91Å; F300-L464 HydrophobicContact CE1-CD2 4.07Å; F300-F467 HydrophobicContact CB-CD1 4.02Å; F300-F467 HydrophobicContact CB-CE1 3.79Å; F300-F467 HydrophobicContact CB-CE2 4.5Å; F300-F467 HydrophobicContact CB-CG 4.46Å; F300-F467 HydrophobicContact CB-CZ 4.05Å; F300-F467 HydrophobicContact CD1-CB 4.16Å; F300-F467 AromaticContact CD1-CD1 3.89Å; F300-F467 HydrophobicContact CD1-CD1 3.89Å; F300-F467 AromaticContact CD1-CG 3.96Å; F300-F467 HydrophobicContact CD1-CG 3.96Å; F300-F467 HydrophobicContact CD2-CB 4.25Å; F300-F467 HydrophobicContact CD2-CD1 4.07Å; F300-F467 AromaticContact CD2-CD2 3.51Å; F300-F467 HydrophobicContact CD2-CD2 3.51Å; F300-F467 HydrophobicContact CD2-CE1 4.34Å; F300-F467 AromaticContact CD2-CE2 3.86Å; F300-F467 HydrophobicContact CD2-CE2 3.86Å; F300-F467 AromaticContact CD2-CG 3.64Å; F300-F467 HydrophobicContact CD2-CG 3.64Å; F300-F467 HydrophobicContact CD2-CZ 4.25Å; F300-F467 HydrophobicContact CE1-CB 3.77Å; F300-F467 HydrophobicContact CE1-CD1 4.38Å; F300-F467 HydrophobicContact CE1-CG 4.05Å; F300-F467 HydrophobicContact CE2-CB 3.85Å; F300-F467 AromaticContact CE2-CD2 3.64Å; F300-F467 HydrophobicContact CE2-CD2 3.64Å; F300-F467 HydrophobicContact CE2-CE2 4.39Å; F300-F467 AromaticContact CE2-CG 3.72Å; F300-F467 HydrophobicContact CE2-CG 3.72Å; F300-F467 HydrophobicContact CG-CB 4.39Å; F300-F467 AromaticContact CG-CD1 3.72Å; F300-F467 HydrophobicContact CG-CD1 3.72Å; F300-F467 HydrophobicContact CG-CD2 4.04Å; F300-F467 AromaticContact CG-CE1 3.98Å; F300-F467 HydrophobicContact CG-CE1 3.98Å; F300-F467 HydrophobicContact CG-CE2 4.32Å; F300-F467 AromaticContact CG-CG 3.75Å; F300-F467 HydrophobicContact CG-CG 3.75Å; F300-F467 HydrophobicContact CG-CZ 4.28Å; F300-F467 HydrophobicContact CZ-CB 3.61Å; F300-F467 HydrophobicContact CZ-CD2 4.3Å; F300-F467 AromaticContact CZ-CG 3.94Å; F300-F467 HydrophobicContact CZ-CG 3.94Å
301	I	92.3	Very high	95.1	Very high	20 Å²	20	29.8 Å²	29.8	10%	0.103	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.6	169.5	-63.5	168.9	0	0	0	106.3	A279 L314 D315 T317 H795	A279-I301 HydrophobicContact CB-CG1 3.94Å; I301-L314 WeakPolarHBondContact O-CA 3.28Å; I301-D315 PolarHBondContact N-O 3.24Å; I301-D315 PolarHBondContact O-N 3.08Å; I301-T317 HydrophobicContact CD1-CG2 4.14Å; I301-T317 HydrophobicContact CG1-CG2 3.9Å; I301-H795 WeakPolarHBondContact CD1-CE1 3.25Å
302	A	91.9	Very high	95.2	Very high	26 Å²	26	25.1 Å²	25.1	22%	0.215	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130.4	175.2	0	0	0	0	0	108.7	L264 V312 N313 L314	L264-A302 HydrophobicContact CD1-CB 4.41Å; A302-V312 HydrophobicContact CB-CG1 4.34Å; A302-N313 WeakPolarHBondContact CA-O 3.39Å; A302-L314 HydrophobicContact CB-CD2 3.3Å
303	S	94	Very high	95.3	Very high	8 Å²	8	22.6 Å²	22.6	6%	0.056	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	140	175.4	60.4	0	0	0	0	111.6	D261 R305 N313	D261-S303 VanDerWaalsContact OD1-CA 3.25Å; D261-S303 WeakPolarHBondContact OD1-CA 3.49Å; S303-R305 PolarHBondContact OG-NE 3.19Å; S303-R305 VanDerWaalsContact OG-NE 3.14Å; S303-R305 PolarHBondContact OG-NH2 3.41Å; S303-N313 PolarHBondContact N-O 3.46Å; S303-N313 PolarHBondContact O-N 3.24Å
304	I	96.5	Very high	95.3	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	135.9	168.7	-64.8	-54.3	0	0	0	109.8	F134 V238 I257 L260 D261 L264 V310 R311 V312	F134-I304 HydrophobicContact CD1-CD1 3.77Å; F134-I304 HydrophobicContact CE1-CD1 3.98Å; F134-I304 HydrophobicContact CG-CD1 4.11Å; F134-I304 HydrophobicContact CZ-CD1 4.49Å; V238-I304 HydrophobicContact CG1-CG2 4.1Å; I257-I304 HydrophobicContact CG1-CG2 4.45Å; I257-I304 HydrophobicContact CG2-CB 4.32Å; L260-I304 HydrophobicContact CB-CB 4.44Å; L260-I304 HydrophobicContact CB-CD1 4.38Å; L260-I304 HydrophobicContact CB-CG1 3.49Å; L260-I304 VanDerWaalsContact CB-CG1 3.49Å; L260-I304 HydrophobicContact CD1-CG1 4.08Å; L260-I304 HydrophobicContact CD1-CG2 4.15Å; L260-I304 HydrophobicContact CG-CG1 4.45Å; D261-I304 PolarHBondContact OD1-N 3.17Å; L264-I304 HydrophobicContact CD1-CD1 3.65Å; L264-I304 HydrophobicContact CD1-CG1 4.08Å; I304-V310 HydrophobicContact CG2-CG1 3.89Å; I304-R311 CarbonylContact C-O 3.53Å; I304-R311 WeakPolarHBondContact CA-O 3.45Å; I304-V312 HydrophobicContact CD1-CG2 3.86Å
305	R	95.6	Very high	95.3	Very high	90 Å²	90	22.7 Å²	22.7	34%	0.34	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	120.8	178	-62.4	-64.5	169.3	177.3	-5.8	110.3	S303 Q307 R311 N313	S303-R305 PolarHBondContact OG-NE 3.19Å; S303-R305 VanDerWaalsContact OG-NE 3.14Å; S303-R305 PolarHBondContact OG-NH2 3.41Å; R305-Q307 HydrophobicContact CB-CG 4.05Å; R305-Q307 PolarHBondContact O-N 2.94Å; R305-Q307 VanDerWaalsContact O-N 3.13Å; R305-R311 PolarHBondContact N-O 3.43Å; R305-R311 PolarHBondContact O-N 3.14Å; R305-R311 VanDerWaalsContact O-N 3.07Å; R305-N313 HydrophobicContact CG-CB 3.84Å
306	P	95.5	Very high	95.2	Very high	23 Å²	23	22.7 Å²	22.7	15%	0.149	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	90.4	169.3	31.3	-31.4	0	0	0	109.2	V238 Y241 V242 I252 I257	V238-P306 HydrophobicContact CG1-CB 3.96Å; Y241-P306 HydrophobicContact CD1-CB 3.61Å; Y241-P306 HydrophobicContact CD1-CG 4.31Å; Y241-P306 HydrophobicContact CE1-CB 3.75Å; Y241-P306 HydrophobicContact CE1-CG 4.12Å; V242-P306 HydrophobicContact CG2-CB 3.84Å; I252-P306 HydrophobicContact CG2-CG 4.27Å; I257-P306 HydrophobicContact CD1-CG 4.07Å
307	Q	94.7	Very high	95	Very high	11 Å²	11	24 Å²	24	5%	0.051	11%	0.111	C	C	.	.	S	Bend	trans	-98.7	-139.4	174.7	-62.7	175.5	-26.5	0	0	108.5	R305 K309 R311 D817 I818	R305-Q307 HydrophobicContact CB-CG 4.05Å; R305-Q307 PolarHBondContact O-N 2.94Å; R305-Q307 VanDerWaalsContact O-N 3.13Å; Q307-K309 PolarHBondContact N-O 3.24Å; Q307-K309 VanDerWaalsContact N-O 3.09Å; Q307-K309 PolarHBondContact O-N 3.41Å; Q307-R311 VanDerWaalsContact OE1-CD 3.28Å; Q307-D817 WeakPolarHBondContact CB-O 3.38Å; Q307-I818 VanDerWaalsContact CD-CA 3.45Å; Q307-I818 PolarHBondContact NE2-O 2.91Å; Q307-I818 VanDerWaalsContact NE2-O 3.14Å
308	W	95	Very high	95	Very high	82 Å²	82	24.7 Å²	24.7	31%	0.311	11%	0.113	S	C	.	.	S	Bend	trans	-72.1	-17.2	169.3	-68.3	26.5	0	0	0	112.6	V242 T816 D817 H820	V242-W308 VanDerWaalsContact CG1-O 3.22Å; V242-W308 WeakPolarHBondContact CG1-O 3.5Å; W308-T816 HydrophobicContact CH2-CG2 4.01Å; W308-T816 HydrophobicContact CZ2-CG2 4.05Å; W308-D817 WeakPolarHBondContact CB-O 3.4Å; W308-D817 VanDerWaalsContact CE2-N 3.29Å; W308-D817 PolarHBondContact N-O 2.92Å; W308-H820 PolarHBondContact NE1-O 3.42Å
309	K	96.5	Very high	95	Very high	107 Å²	107	25.1 Å²	25.1	47%	0.465	12%	0.116	S	C	.	.	S	Bend	trans	-134.7	163	168.5	-63.9	-173.7	-172.8	179.5	0	108	D133 Q307 R311	D133-K309 WeakPolarHBondContact OD2-CD 3.45Å; D133-K309 IonicContact OD2-NZ 3.43Å; D133-K309 PolarHBondContact OD2-NZ 3.01Å; Q307-K309 PolarHBondContact N-O 3.24Å; Q307-K309 VanDerWaalsContact N-O 3.09Å; Q307-K309 PolarHBondContact O-N 3.41Å; K309-R311 HydrophobicContact CB-CG 4.32Å; K309-R311 PolarHBondContact O-N 2.83Å
310	V	97.4	Very high	95.1	Very high	7 Å²	7	25.5 Å²	25.5	4%	0.042	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	121.1	165.7	-171.5	0	0	0	0	108.1	F134 V238 Q239 V242 I304	F134-V310 HydrophobicContact CB-CG1 4.41Å; F134-V310 HydrophobicContact CD1-CG1 3.85Å; F134-V310 PolarHBondContact N-O 3.34Å; V238-V310 HydrophobicContact CB-CG2 4.3Å; V238-V310 HydrophobicContact CG1-CG1 3.97Å; V238-V310 HydrophobicContact CG1-CG2 3.93Å; Q239-V310 HydrophobicContact CB-CG2 4.36Å; Q239-V310 VanDerWaalsContact OE1-CG2 3.31Å; V242-V310 HydrophobicContact CG2-CG2 4.11Å; I304-V310 HydrophobicContact CG2-CG1 3.89Å
311	R	97.4	Very high	95.3	Very high	10 Å²	10	25.6 Å²	25.6	4%	0.038	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	152.4	-179.5	-60.7	-155.2	-178.5	115.9	-7.5	112.2	C131 W132 D133 I304 R305 Q307 K309 D817 I818	C131-R311 HydrophobicContact CB-CB 4.28Å; W132-R311 CarbonylContact O-C 3.55Å; W132-R311 WeakPolarHBondContact O-CA 3.46Å; W132-R311 WeakPolarHBondContact O-CB 3.4Å; D133-R311 WeakPolarHBondContact OD1-CD 3.35Å; D133-R311 IonicContact OD1-CZ 3.57Å; D133-R311 IonicContact OD1-NE 3.73Å; D133-R311 PolarHBondContact OD1-NE 2.86Å; D133-R311 IonicContact OD1-NH2 3.04Å; I304-R311 CarbonylContact C-O 3.53Å; I304-R311 WeakPolarHBondContact CA-O 3.45Å; R305-R311 PolarHBondContact N-O 3.43Å; R305-R311 PolarHBondContact O-N 3.14Å; R305-R311 VanDerWaalsContact O-N 3.07Å; Q307-R311 VanDerWaalsContact OE1-CD 3.28Å; K309-R311 HydrophobicContact CB-CG 4.32Å; K309-R311 PolarHBondContact O-N 2.83Å; R311-D817 PolarHBondContact NH1-O 3.42Å; R311-I818 VanDerWaalsContact NH1-CG2 3.34Å
312	V	96.6	Very high	95.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	118.5	164.6	-166.8	0	0	0	0	108.8	C131 W132 F134 L264 A302 I304 L314 I485	C131-V312 CarbonylContact C-O 3.58Å; C131-V312 VanDerWaalsContact CA-O 3.27Å; C131-V312 WeakPolarHBondContact CA-O 3.17Å; W132-V312 PolarHBondContact N-O 2.78Å; W132-V312 PolarHBondContact O-N 3.02Å; F134-V312 HydrophobicContact CB-CG2 3.8Å; F134-V312 HydrophobicContact CD2-CG2 3.74Å; F134-V312 HydrophobicContact CG-CG2 3.89Å; L264-V312 HydrophobicContact CD1-CB 4.47Å; L264-V312 HydrophobicContact CD1-CG1 3.62Å; L264-V312 HydrophobicContact CD1-CG2 4.04Å; L264-V312 HydrophobicContact CD2-CG2 4.36Å; A302-V312 HydrophobicContact CB-CG1 4.34Å; I304-V312 HydrophobicContact CD1-CG2 3.86Å; V312-L314 HydrophobicContact CG1-CD2 3.49Å; V312-L314 VanDerWaalsContact CG1-CD2 3.49Å; V312-L314 HydrophobicContact CG1-CG 3.88Å; V312-I485 HydrophobicContact CG2-CD1 4.37Å; V312-I485 HydrophobicContact CG2-CG1 4.16Å
313	N	97.1	Very high	95.6	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.011	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	122.3	166.6	178.5	-137.7	0	0	0	109.9	N130 A302 S303 R305 H795	N130-N313 VanDerWaalsContact CG-ND2 3.27Å; N130-N313 PolarHBondContact ND2-ND2 3.14Å; N130-N313 WeakPolarHBondContact O-CA 3.31Å; N130-N313 PolarHBondContact O-ND2 3.39Å; N130-N313 PolarHBondContact OD1-ND2 2.97Å; N130-N313 VanDerWaalsContact OD1-ND2 3.11Å; A302-N313 WeakPolarHBondContact CA-O 3.39Å; S303-N313 PolarHBondContact N-O 3.46Å; S303-N313 PolarHBondContact O-N 3.24Å; R305-N313 HydrophobicContact CG-CB 3.84Å; N313-H795 WeakPolarHBondContact OD1-CB 3.4Å
314	L	95.4	Very high	95.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128.3	-178.4	-58.3	175.8	0	0	0	110.7	N130 W132 I301 A302 V312 L464 F467 T468	N130-L314 WeakPolarHBondContact CB-O 3.09Å; N130-L314 PolarHBondContact ND2-O 2.78Å; N130-L314 PolarHBondContact O-N 3.17Å; W132-L314 HydrophobicContact CD2-CD1 4.14Å; W132-L314 HydrophobicContact CE3-CB 4.15Å; W132-L314 HydrophobicContact CE3-CD1 3.71Å; W132-L314 HydrophobicContact CE3-CG 3.95Å; W132-L314 HydrophobicContact CH2-CB 4.46Å; W132-L314 HydrophobicContact CH2-CD1 4.39Å; W132-L314 HydrophobicContact CZ3-CB 3.71Å; W132-L314 HydrophobicContact CZ3-CD1 3.87Å; W132-L314 HydrophobicContact CZ3-CG 4.02Å; I301-L314 WeakPolarHBondContact O-CA 3.28Å; A302-L314 HydrophobicContact CB-CD2 3.3Å; V312-L314 HydrophobicContact CG1-CD2 3.49Å; V312-L314 VanDerWaalsContact CG1-CD2 3.49Å; V312-L314 HydrophobicContact CG1-CG 3.88Å; L314-L464 HydrophobicContact CB-CD2 4.18Å; L314-L464 WeakPolarHBondContact O-CD1 3.49Å; L314-F467 HydrophobicContact CD1-CD1 4.45Å; L314-F467 HydrophobicContact CD2-CE1 4.23Å; L314-T468 HydrophobicContact CD1-CG2 3.06Å
315	D	95.8	Very high	95.6	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.016	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	154	175.2	-164.4	21.5	0	0	0	111.7	F300 I301 R460 H795 R797	F300-D315 WeakPolarHBondContact CA-O 3.36Å; I301-D315 PolarHBondContact N-O 3.24Å; I301-D315 PolarHBondContact O-N 3.08Å; D315-R460 IonicContact OD1-CZ 3.2Å; D315-R460 IonicContact OD1-NH1 3.91Å; D315-R460 PolarHBondContact OD1-NH1 2.83Å; D315-R460 IonicContact OD2-NH1 2.78Å; D315-H795 HydrophobicContact CB-CB 3.96Å; D315-H795 IonicContact OD2-ND1 3.85Å; D315-R797 IonicContact OD1-NE 3.88Å; D315-R797 IonicContact OD2-CZ 3.92Å; D315-R797 VanDerWaalsContact OD2-CZ 3.27Å; D315-R797 IonicContact OD2-NE 3.64Å; D315-R797 PolarHBondContact OD2-NE 3.3Å; D315-R797 IonicContact OD2-NH2 3.97Å; D315-R797 PolarHBondContact OD2-NH2 3.11Å
316	M	94.7	Very high	95.7	Very high	10 Å²	10	26 Å²	26	5%	0.049	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	142.6	174.3	-60.8	174	79.4	0	0	110	R298 F300 Y318 R460 E463 L464	R298-M316 HydrophobicContact CG-CE 4.25Å; F300-M316 HydrophobicContact CD1-CG 4.28Å; F300-M316 HydrophobicContact CE1-CG 3.97Å; M316-Y318 HydrophobicContact CB-CE2 4.27Å; M316-Y318 HydrophobicContact CE-CE2 4.42Å; M316-Y318 VanDerWaalsContact CE-OH 3.22Å; M316-Y318 WeakPolarHBondContact CE-OH 3.4Å; M316-R460 HydrophobicContact CG-CG 4.33Å; M316-R460 HydrophobicContact SD-CB 4.06Å; M316-R460 HydrophobicContact SD-CG 3.72Å; M316-E463 HydrophobicContact CE-CB 3.91Å; M316-E463 HydrophobicContact CE-CG 3.96Å; M316-E463 HydrophobicContact SD-CB 3.99Å; M316-E463 HydrophobicContact SD-CG 4.44Å; M316-L464 HydrophobicContact CG-CD2 4.01Å; M316-L464 HydrophobicContact CG-CG 4.41Å
317	T	93.8	Very high	95.8	Very high	28 Å²	28	25 Å²	25	17%	0.172	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	156.4	172.4	-169.7	0	0	0	0	111.1	A279 F281 G299 I301	A279-T317 HydrophobicContact CB-CG2 3.9Å; F281-T317 HydrophobicContact CE1-CG2 3.9Å; F281-T317 HydrophobicContact CZ-CG2 3.98Å; G299-T317 PolarHBondContact N-O 3.15Å; G299-T317 PolarHBondContact O-N 2.96Å; I301-T317 HydrophobicContact CD1-CG2 4.14Å; I301-T317 HydrophobicContact CG1-CG2 3.9Å
318	Y	94.8	Very high	95.9	Very high	26 Å²	26	24.6 Å²	24.6	10%	0.102	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	135.5	-178.8	-66.9	-99.2	0	0	0	108.7	I296 H297 R298 M316 C452 A453 V455	I296-Y318 HydrophobicContact CG2-CD1 4.01Å; H297-Y318 WeakPolarHBondContact O-CA 3.37Å; R298-Y318 HydrophobicContact CB-CD1 4.17Å; R298-Y318 HydrophobicContact CB-CE1 3.89Å; R298-Y318 HydrophobicContact CG-CE1 4.08Å; M316-Y318 HydrophobicContact CB-CE2 4.27Å; M316-Y318 HydrophobicContact CE-CE2 4.42Å; M316-Y318 VanDerWaalsContact CE-OH 3.22Å; M316-Y318 WeakPolarHBondContact CE-OH 3.4Å; Y318-C452 HydrophobicContact CD1-CB 3.9Å; Y318-C452 HydrophobicContact CE1-CB 4.05Å; Y318-C452 WeakPolarHBondContact CE1-O 3.31Å; Y318-C452 PolarHBondContact OH-O 3.2Å; Y318-A453 HydrophobicContact CD2-CB 3.59Å; Y318-A453 HydrophobicContact CE2-CB 3.92Å; Y318-A453 HydrophobicContact CG-CB 4.22Å; Y318-V455 WeakPolarHBondContact OH-CG2 3.46Å
319	K	94.1	Very high	96	Very high	71 Å²	71	24.8 Å²	24.8	31%	0.309	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	134.9	177.7	-170.8	163.4	174.7	-179.1	0	110	F281 H297 F321	F281-K319 HydrophobicContact CD1-CB 4.34Å; F281-K319 HydrophobicContact CE1-CB 3.46Å; F281-K319 VanDerWaalsContact CE1-CB 3.46Å; F281-K319 HydrophobicContact CE2-CD 4.47Å; F281-K319 HydrophobicContact CZ-CB 3.66Å; F281-K319 HydrophobicContact CZ-CD 4.01Å; F281-K319 HydrophobicContact CZ-CG 4.5Å; H297-K319 PolarHBondContact N-O 2.87Å; H297-K319 PolarHBondContact O-N 3.33Å; K319-F321 HydrophobicContact CB-CE2 3.86Å; K319-F321 HydrophobicContact CB-CZ 3.87Å; K319-F321 HydrophobicContact CD-CE1 3.74Å; K319-F321 HydrophobicContact CD-CE2 4.33Å; K319-F321 HydrophobicContact CD-CZ 3.49Å; K319-F321 VanDerWaalsContact CD-CZ 3.49Å; K319-F321 HydrophobicContact CG-CD1 4.49Å; K319-F321 HydrophobicContact CG-CE1 3.87Å; K319-F321 HydrophobicContact CG-CE2 3.94Å; K319-F321 HydrophobicContact CG-CZ 3.55Å
320	A	95.8	Very high	96	Very high	8 Å²	8	20 Å²	20	7%	0.066	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	139.3	173	0	0	0	0	0	109.9	F294 S295 I296 P438 V445 V449	F294-A320 HydrophobicContact CD2-CB 3.84Å; F294-A320 HydrophobicContact CE2-CB 4.32Å; S295-A320 CarbonylContact O-C 3.55Å; S295-A320 VanDerWaalsContact O-CA 3.26Å; S295-A320 WeakPolarHBondContact O-CA 3.3Å; I296-A320 HydrophobicContact CG1-CB 4.3Å; A320-P438 HydrophobicContact CB-CG 4.27Å; A320-V445 HydrophobicContact CB-CG1 3.54Å; A320-V449 HydrophobicContact CB-CG2 4.12Å
321	F	95.5	Very high	95.9	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.018	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	149.9	174.9	-60.7	-73.9	0	0	0	109.7	L275 F294 S295 H297 K319 F435 Q436	L275-F321 HydrophobicContact CB-CZ 4.43Å; L275-F321 HydrophobicContact CD1-CE1 4.01Å; L275-F321 HydrophobicContact CD1-CE2 3.78Å; L275-F321 HydrophobicContact CD1-CZ 3.31Å; L275-F321 HydrophobicContact CG-CZ 4.46Å; F294-F321 CarbonylContact C-O 3.46Å; F294-F321 WeakPolarHBondContact CA-O 3.31Å; F294-F321 VanDerWaalsContact CB-O 3.22Å; F294-F321 WeakPolarHBondContact CB-O 3.48Å; S295-F321 PolarHBondContact N-O 2.87Å; S295-F321 PolarHBondContact O-N 3.31Å; H297-F321 HydrophobicContact CB-CD2 4.19Å; H297-F321 HydrophobicContact CB-CE2 4.07Å; H297-F321 AromaticContact CD2-CD2 3.6Å; H297-F321 AromaticContact CG-CD2 3.97Å; K319-F321 HydrophobicContact CB-CE2 3.86Å; K319-F321 HydrophobicContact CB-CZ 3.87Å; K319-F321 HydrophobicContact CD-CE1 3.74Å; K319-F321 HydrophobicContact CD-CE2 4.33Å; K319-F321 HydrophobicContact CD-CZ 3.49Å; K319-F321 VanDerWaalsContact CD-CZ 3.49Å; K319-F321 HydrophobicContact CG-CD1 4.49Å; K319-F321 HydrophobicContact CG-CE1 3.87Å; K319-F321 HydrophobicContact CG-CE2 3.94Å; K319-F321 HydrophobicContact CG-CZ 3.55Å; F321-F435 HydrophobicContact CD1-CB 3.89Å; F321-F435 HydrophobicContact CD1-CD1 4.41Å; F321-F435 VanDerWaalsContact CD1-O 3.31Å; F321-F435 WeakPolarHBondContact CD1-O 3.24Å; F321-F435 AromaticContact CD2-CD1 3.88Å; F321-F435 HydrophobicContact CD2-CD1 3.88Å; F321-F435 HydrophobicContact CE1-CB 3.93Å; F321-F435 HydrophobicContact CE1-CD1 4.44Å; F321-F435 AromaticContact CE2-CD1 3.94Å; F321-F435 HydrophobicContact CE2-CD1 3.94Å; F321-F435 HydrophobicContact CG-CB 4.32Å; F321-F435 HydrophobicContact CG-CD1 4.11Å; F321-F435 HydrophobicContact CZ-CB 4.44Å; F321-F435 HydrophobicContact CZ-CD1 4.21Å; F321-Q436 CarbonylContact C-O 3.57Å; F321-Q436 WeakPolarHBondContact CA-O 3.32Å
322	F	96.4	Very high	95.8	Very high	3 Å²	3	25 Å²	25	1%	0.013	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	140.8	168.8	-162.2	-80.6	0	0	0	109	L293 A324 D349 L350 I353 I432 Q436 N439	L293-F322 HydrophobicContact CB-CE1 4.49Å; L293-F322 HydrophobicContact CB-CE2 3.93Å; L293-F322 HydrophobicContact CB-CZ 3.87Å; L293-F322 HydrophobicContact CD1-CE2 4.32Å; L293-F322 HydrophobicContact CD1-CZ 4Å; L293-F322 HydrophobicContact CG-CZ 4.49Å; F322-A324 PolarHBondContact O-N 3.3Å; F322-D349 WeakPolarHBondContact CE2-O 3.47Å; F322-L350 HydrophobicContact CZ-CD2 4.04Å; F322-I353 HydrophobicContact CB-CD1 4.24Å; F322-I353 HydrophobicContact CD1-CD1 4.21Å; F322-I353 HydrophobicContact CD1-CG2 4.42Å; F322-I353 HydrophobicContact CD2-CD1 3.43Å; F322-I353 VanDerWaalsContact CD2-CD1 3.43Å; F322-I353 HydrophobicContact CD2-CG1 4.11Å; F322-I353 HydrophobicContact CE1-CD1 4.49Å; F322-I353 HydrophobicContact CE1-CG1 4.36Å; F322-I353 HydrophobicContact CE1-CG2 4.42Å; F322-I353 HydrophobicContact CE2-CD1 3.76Å; F322-I353 HydrophobicContact CE2-CG1 3.91Å; F322-I353 HydrophobicContact CG-CD1 3.69Å; F322-I353 HydrophobicContact CG-CG1 4.42Å; F322-I353 HydrophobicContact CZ-CD1 4.28Å; F322-I353 HydrophobicContact CZ-CG1 4.05Å; F322-I432 HydrophobicContact CD1-CD1 4.46Å; F322-I432 HydrophobicContact CD1-CG2 3.82Å; F322-I432 HydrophobicContact CE1-CD1 3.88Å; F322-I432 HydrophobicContact CE1-CG2 4.23Å; F322-Q436 HydrophobicContact CB-CB 4.12Å; F322-Q436 PolarHBondContact N-O 2.94Å; F322-N439 HydrophobicContact CE2-CB 4.44Å
323	R	95.7	Very high	95.7	Very high	42 Å²	42	29.6 Å²	29.6	16%	0.158	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-62	123.7	-175.8	-172.5	174.7	-169.6	147.3	1.4	111.5	L293 V330 E333 I432	L293-R323 PolarHBondContact O-N 3.04Å; L293-R323 VanDerWaalsContact O-N 3.09Å; R323-V330 HydrophobicContact CB-CG1 4.01Å; R323-V330 HydrophobicContact CG-CG1 4.16Å; R323-V330 HydrophobicContact CG-CG2 3.89Å; R323-E333 IonicContact CZ-OE1 3.17Å; R323-E333 IonicContact CZ-OE2 2.9Å; R323-E333 IonicContact NE-OE1 2.74Å; R323-E333 IonicContact NE-OE2 3.34Å; R323-E333 IonicContact NH1-OE1 3.69Å; R323-E333 IonicContact NH1-OE2 2.6Å; R323-E333 PolarHBondContact NH1-OE2 3.38Å; R323-E333 IonicContact NH2-OE1 2.71Å; R323-E333 PolarHBondContact NH2-OE1 3.27Å; R323-E333 IonicContact NH2-OE2 2.71Å; R323-E333 PolarHBondContact NH2-OE2 3Å; R323-I432 WeakPolarHBondContact O-CD1 3.4Å; R323-I432 VanDerWaalsContact O-CG2 3.28Å; R323-I432 WeakPolarHBondContact O-CG2 3.45Å
324	A	94.5	Very high	95.6	Very high	46 Å²	46	32.3 Å²	32.3	38%	0.38	17%	0.167	S	C	.	.	P	Polyproline II helix	trans	-82.7	158.3	174.2	0	0	0	0	0	111.2	F322 P434	F322-A324 PolarHBondContact O-N 3.3Å; A324-P434 HydrophobicContact CB-CB 3.83Å
325	G	95.8	Very high	95.6	Very high	32 Å²	32	34 Å²	34	33%	0.33	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	127	-174.5	177.6	0	0	0	0	0	113	L327 N431 I432	G325-L327 PolarHBondContact O-N 3.5Å; G325-N431 CarbonylContact O-C 3.6Å; G325-N431 WeakPolarHBondContact O-CA 3.42Å; G325-I432 PolarHBondContact N-O 3.42Å; G325-I432 PolarHBondContact O-N 3.32Å
326	N	97.8	Very high	95.5	Very high	32 Å²	32	35 Å²	35	17%	0.171	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	131.8	176	-174	-79.7	0	0	0	110.1	A328 D329 V330 E428 N431	N326-A328 PolarHBondContact O-N 3.39Å; N326-A328 WeakPolarHBondContact OD1-CB 3.46Å; N326-A328 PolarHBondContact OD1-N 3.39Å; N326-D329 HydrophobicContact CB-CB 4.17Å; N326-D329 WeakPolarHBondContact CB-OD2 3.47Å; N326-D329 PolarHBondContact O-N 3.33Å; N326-D329 PolarHBondContact OD1-N 2.79Å; N326-V330 WeakPolarHBondContact O-CB 3.41Å; N326-V330 WeakPolarHBondContact O-CG2 3.18Å; N326-V330 PolarHBondContact O-N 2.76Å; N326-E428 PolarHBondContact ND2-O 3.45Å; N326-N431 WeakPolarHBondContact CA-OD1 3.31Å
327	L	97.2	Very high	95.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.3	-37.3	-173.3	175.6	62.2	0	0	0	111.9	G325 M331 L350 V355 V415 M427 L430 I432	G325-L327 PolarHBondContact O-N 3.5Å; L327-M331 HydrophobicContact CD1-CG 3.79Å; L327-M331 HydrophobicContact CG-CG 4.44Å; L327-M331 WeakPolarHBondContact O-CB 3.17Å; L327-M331 WeakPolarHBondContact O-CG 3.31Å; L327-M331 PolarHBondContact O-N 2.75Å; L327-M331 VanDerWaalsContact O-N 3.07Å; L327-L350 HydrophobicContact CD1-CD1 3.87Å; L327-L350 HydrophobicContact CD1-CD2 3.48Å; L327-L350 VanDerWaalsContact CD1-CD2 3.48Å; L327-L350 HydrophobicContact CD1-CG 4.34Å; L327-L350 HydrophobicContact CD2-CD1 4.46Å; L327-V355 HydrophobicContact CD2-CG1 4.4Å; L327-V415 HydrophobicContact CD2-CG2 3.54Å; L327-M427 WeakPolarHBondContact CB-O 3.33Å; L327-M427 HydrophobicContact CD2-CB 4.47Å; L327-M427 HydrophobicContact CD2-CG 4.27Å; L327-M427 HydrophobicContact CG-CB 4.38Å; L327-M427 HydrophobicContact CG-CG 4.4Å; L327-L430 HydrophobicContact CB-CB 4.07Å; L327-L430 VanDerWaalsContact CB-O 3.22Å; L327-L430 WeakPolarHBondContact CB-O 3.45Å; L327-L430 HydrophobicContact CD2-CB 3.99Å; L327-L430 HydrophobicContact CD2-CD1 3.84Å; L327-L430 PolarHBondContact N-O 3.24Å; L327-I432 HydrophobicContact CB-CD1 4.35Å; L327-I432 HydrophobicContact CB-CG1 4.22Å; L327-I432 HydrophobicContact CD1-CD1 3.68Å; L327-I432 HydrophobicContact CD1-CG1 3.87Å
328	A	96.3	Very high	95.3	Very high	4 Å²	4	43.5 Å²	43.5	3%	0.033	23%	0.229	C	C	.	.	H	α-helix	trans	-63.9	-47.2	175.9	0	0	0	0	0	110.9	N326 V330 M331 Y332 L412 M427 E428	N326-A328 PolarHBondContact O-N 3.39Å; N326-A328 WeakPolarHBondContact OD1-CB 3.46Å; N326-A328 PolarHBondContact OD1-N 3.39Å; A328-V330 PolarHBondContact O-N 3.22Å; A328-M331 PolarHBondContact O-N 3.16Å; A328-Y332 VanDerWaalsContact O-CB 3.3Å; A328-Y332 WeakPolarHBondContact O-CB 3.45Å; A328-Y332 PolarHBondContact O-N 2.97Å; A328-L412 HydrophobicContact CB-CD1 4.21Å; A328-M427 HydrophobicContact CB-CB 4.08Å; A328-E428 HydrophobicContact CB-CB 4.09Å
329	D	96.6	Very high	95.2	Very high	86 Å²	86	42.6 Å²	42.6	46%	0.46	23%	0.226	S	C	.	.	H	α-helix	trans	-60.4	-49.2	179	-64.8	-22.4	0	0	0	111.7	N326 M331 Y332 E333	N326-D329 HydrophobicContact CB-CB 4.17Å; N326-D329 WeakPolarHBondContact CB-OD2 3.47Å; N326-D329 PolarHBondContact O-N 3.33Å; N326-D329 PolarHBondContact OD1-N 2.79Å; D329-M331 VanDerWaalsContact C-N 3.28Å; D329-M331 PolarHBondContact O-N 3.12Å; D329-Y332 PolarHBondContact O-N 3.43Å; D329-E333 WeakPolarHBondContact O-CG 3.42Å; D329-E333 PolarHBondContact O-N 3.04Å
330	V	96.6	Very high	95	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.03	23%	0.23	C	C	.	.	H	α-helix	trans	-60.1	-39.4	-179.9	165.7	0	0	0	0	111.7	L293 R323 N326 A328 I432	L293-V330 HydrophobicContact CD2-CG1 4.03Å; R323-V330 HydrophobicContact CB-CG1 4.01Å; R323-V330 HydrophobicContact CG-CG1 4.16Å; R323-V330 HydrophobicContact CG-CG2 3.89Å; N326-V330 WeakPolarHBondContact O-CB 3.41Å; N326-V330 WeakPolarHBondContact O-CG2 3.18Å; N326-V330 PolarHBondContact O-N 2.76Å; A328-V330 PolarHBondContact O-N 3.22Å; V330-I432 HydrophobicContact CB-CD1 3.78Å; V330-I432 HydrophobicContact CG1-CD1 3.67Å; V330-I432 HydrophobicContact CG2-CD1 3.94Å
331	M	96	Very high	94.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-77.5	-35.2	-180	-66.4	-55	-72.6	0	0	112.2	L293 L327 A328 D329 E333 K334 Y335 I339 M346 L350	L293-M331 HydrophobicContact CD1-CE 4.34Å; L293-M331 HydrophobicContact CD1-SD 3.88Å; L293-M331 HydrophobicContact CD2-SD 4.12Å; L327-M331 HydrophobicContact CD1-CG 3.79Å; L327-M331 HydrophobicContact CG-CG 4.44Å; L327-M331 WeakPolarHBondContact O-CB 3.17Å; L327-M331 WeakPolarHBondContact O-CG 3.31Å; L327-M331 PolarHBondContact O-N 2.75Å; L327-M331 VanDerWaalsContact O-N 3.07Å; A328-M331 PolarHBondContact O-N 3.16Å; D329-M331 VanDerWaalsContact C-N 3.28Å; D329-M331 PolarHBondContact O-N 3.12Å; M331-E333 VanDerWaalsContact C-N 3.3Å; M331-E333 PolarHBondContact O-N 2.83Å; M331-K334 PolarHBondContact O-N 3.17Å; M331-Y335 HydrophobicContact CE-CD2 3.85Å; M331-Y335 HydrophobicContact CE-CE2 3.45Å; M331-Y335 VanDerWaalsContact CE-CE2 3.45Å; M331-Y335 WeakPolarHBondContact O-CD2 3.37Å; M331-Y335 PolarHBondContact O-N 3.23Å; M331-I339 HydrophobicContact CB-CD1 3.69Å; M331-I339 HydrophobicContact CB-CG1 4.45Å; M331-M346 HydrophobicContact CE-CB 4.42Å; M331-M346 HydrophobicContact CE-CG 3.23Å; M331-M346 HydrophobicContact CE-SD 4.24Å; M331-L350 HydrophobicContact CE-CD1 3.96Å; M331-L350 HydrophobicContact CE-CD2 4.13Å; M331-L350 HydrophobicContact CE-CG 3.81Å; M331-L350 HydrophobicContact CG-CD1 4.22Å; M331-L350 HydrophobicContact CG-CD2 4.25Å; M331-L350 HydrophobicContact SD-CD1 4.2Å; M331-L350 HydrophobicContact SD-CD2 3.56Å; M331-L350 VanDerWaalsContact SD-CD2 3.56Å; M331-L350 HydrophobicContact SD-CG 3.93Å
332	Y	95.6	Very high	93.5	Very high	124 Å²	124	52.1 Å²	52.1	49%	0.486	27%	0.273	S	S	.	.	H	α-helix	trans	-62.6	-38.1	174.8	-178.9	-100.5	0	0	0	111.3	A328 D329 K334 Y335 G336 I339	A328-Y332 VanDerWaalsContact O-CB 3.3Å; A328-Y332 WeakPolarHBondContact O-CB 3.45Å; A328-Y332 PolarHBondContact O-N 2.97Å; D329-Y332 PolarHBondContact O-N 3.43Å; Y332-K334 PolarHBondContact O-N 3.45Å; Y332-Y335 PolarHBondContact O-N 3.47Å; Y332-G336 VanDerWaalsContact O-CA 3.27Å; Y332-G336 WeakPolarHBondContact O-CA 3.27Å; Y332-G336 PolarHBondContact O-N 3Å; Y332-I339 HydrophobicContact CD2-CG2 4.23Å
333	E	94.7	Very high	92.9	Very high	96 Å²	96	54 Å²	54	45%	0.449	29%	0.287	S	S	.	.	H	α-helix	trans	-60.2	-28.7	176	-75.3	-170.2	-131.7	0	0	114.3	A290 R323 D329 M331	A290-E333 HydrophobicContact CB-CB 4.39Å; R323-E333 IonicContact CZ-OE1 3.17Å; R323-E333 IonicContact CZ-OE2 2.9Å; R323-E333 IonicContact NE-OE1 2.74Å; R323-E333 IonicContact NE-OE2 3.34Å; R323-E333 IonicContact NH1-OE1 3.69Å; R323-E333 IonicContact NH1-OE2 2.6Å; R323-E333 PolarHBondContact NH1-OE2 3.38Å; R323-E333 IonicContact NH2-OE1 2.71Å; R323-E333 PolarHBondContact NH2-OE1 3.27Å; R323-E333 IonicContact NH2-OE2 2.71Å; R323-E333 PolarHBondContact NH2-OE2 3Å; D329-E333 WeakPolarHBondContact O-CG 3.42Å; D329-E333 PolarHBondContact O-N 3.04Å; M331-E333 VanDerWaalsContact C-N 3.3Å; M331-E333 PolarHBondContact O-N 2.83Å
334	K	94.9	Very high	92.5	Very high	59 Å²	59	57.3 Å²	57.3	26%	0.257	32%	0.316	S	S	.	.	H	α-helix	trans	-88.1	-44.5	175.7	174.6	167.9	176.9	173	0	112.7	D291 L293 M331 Y332 D349	D291-K334 WeakPolarHBondContact O-CD 3.43Å; D291-K334 WeakPolarHBondContact O-CE 3.2Å; D291-K334 PolarHBondContact O-NZ 3.45Å; L293-K334 HydrophobicContact CD1-CD 3.83Å; L293-K334 HydrophobicContact CD2-CB 3.76Å; L293-K334 HydrophobicContact CD2-CD 3.86Å; L293-K334 HydrophobicContact CD2-CG 4.45Å; L293-K334 HydrophobicContact CG-CB 4.45Å; L293-K334 HydrophobicContact CG-CD 3.6Å; M331-K334 PolarHBondContact O-N 3.17Å; Y332-K334 PolarHBondContact O-N 3.45Å; K334-D349 VanDerWaalsContact CE-OD2 3.26Å; K334-D349 WeakPolarHBondContact CE-OD2 3.39Å; K334-D349 VanDerWaalsContact NZ-CG 3.31Å; K334-D349 IonicContact NZ-OD1 2.85Å; K334-D349 PolarHBondContact NZ-OD1 3.48Å; K334-D349 IonicContact NZ-OD2 3.28Å; K334-D349 PolarHBondContact NZ-OD2 3.22Å
335	Y	95.2	Very high	92.3	Very high	35 Å²	35	59.8 Å²	59.8	14%	0.137	32%	0.319	C	S	.	.	H	α-helix	trans	-98.7	-17.4	-167.8	-72.7	-82.1	0	0	0	113.8	M331 Y332 N338 Q345 M346 D349	M331-Y335 HydrophobicContact CE-CD2 3.85Å; M331-Y335 HydrophobicContact CE-CE2 3.45Å; M331-Y335 VanDerWaalsContact CE-CE2 3.45Å; M331-Y335 WeakPolarHBondContact O-CD2 3.37Å; M331-Y335 PolarHBondContact O-N 3.23Å; Y332-Y335 PolarHBondContact O-N 3.47Å; Y335-N338 WeakPolarHBondContact O-CB 3.45Å; Y335-N338 PolarHBondContact O-N 3.38Å; Y335-Q345 WeakPolarHBondContact OH-CG 3.36Å; Y335-M346 HydrophobicContact CD1-CE 4Å; Y335-M346 HydrophobicContact CD2-CE 3.91Å; Y335-M346 HydrophobicContact CD2-CG 4.33Å; Y335-M346 HydrophobicContact CE1-CB 4.41Å; Y335-M346 HydrophobicContact CE1-CE 4.3Å; Y335-M346 HydrophobicContact CE2-CB 4.2Å; Y335-M346 HydrophobicContact CE2-CE 4.25Å; Y335-M346 HydrophobicContact CE2-CG 3.87Å; Y335-M346 HydrophobicContact CG-CE 3.79Å; Y335-M346 WeakPolarHBondContact OH-CA 3.41Å; Y335-M346 PolarHBondContact OH-N 3.47Å; Y335-D349 PolarHBondContact OH-OD2 3.14Å
336	G	93.8	Very high	92.2	Very high	25 Å²	25	58.2 Å²	58.2	26%	0.258	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	51.3	-143.2	-167.2	0	0	0	0	0	110.9	Y332 N338 I339	Y332-G336 VanDerWaalsContact O-CA 3.27Å; Y332-G336 WeakPolarHBondContact O-CA 3.27Å; Y332-G336 PolarHBondContact O-N 3Å; G336-N338 PolarHBondContact O-N 3.45Å; G336-I339 WeakPolarHBondContact O-CB 3.26Å; G336-I339 WeakPolarHBondContact O-CG2 3.48Å; G336-I339 PolarHBondContact O-N 2.87Å
337	D	91.6	Very high	91.9	Very high	131 Å²	131	58.1 Å²	58.1	70%	0.701	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-60.3	-16.6	178.2	-56.5	-29.1	0	0	0	114.1	I339	D337-I339 PolarHBondContact O-N 3.07Å
338	N	91.5	Very high	91.7	Very high	84 Å²	84	62.9 Å²	62.9	45%	0.449	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-71.4	-4.1	174.2	-64.5	-60.9	0	0	0	113.1	Y335 G336 A340 R341	Y335-N338 WeakPolarHBondContact O-CB 3.45Å; Y335-N338 PolarHBondContact O-N 3.38Å; G336-N338 PolarHBondContact O-N 3.45Å; N338-A340 PolarHBondContact O-N 3.25Å; N338-R341 PolarHBondContact O-N 3.41Å; N338-R341 VanDerWaalsContact O-N 3.16Å; N338-R341 PolarHBondContact OD1-NH1 3.29Å
339	I	93	Very high	91.6	Very high	7 Å²	7	63.3 Å²	63.3	4%	0.036	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-56.1	-35.6	174.2	-169.8	173.5	0	0	0	112.1	M331 Y332 G336 D337 R341 M346 L412 M427	M331-I339 HydrophobicContact CB-CD1 3.69Å; M331-I339 HydrophobicContact CB-CG1 4.45Å; Y332-I339 HydrophobicContact CD2-CG2 4.23Å; G336-I339 WeakPolarHBondContact O-CB 3.26Å; G336-I339 WeakPolarHBondContact O-CG2 3.48Å; G336-I339 PolarHBondContact O-N 2.87Å; D337-I339 PolarHBondContact O-N 3.07Å; I339-R341 VanDerWaalsContact C-N 3.26Å; I339-R341 PolarHBondContact O-N 2.89Å; I339-M346 HydrophobicContact CB-CE 4.34Å; I339-M346 HydrophobicContact CG1-CE 3.99Å; I339-M346 HydrophobicContact CG1-SD 4.44Å; I339-M346 WeakPolarHBondContact O-CE 3.17Å; I339-L412 HydrophobicContact CB-CD2 4.43Å; I339-L412 HydrophobicContact CD1-CD1 4.41Å; I339-L412 HydrophobicContact CD1-CD2 4.36Å; I339-L412 HydrophobicContact CG1-CD2 4.23Å; I339-L412 HydrophobicContact CG2-CD2 3.52Å; I339-M427 HydrophobicContact CD1-SD 4.3Å
340	A	89.7	Confident	91.5	Very high	48 Å²	48	59.2 Å²	59.2	40%	0.397	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-68.8	-21.2	-179.2	0	0	0	0	0	113.7	N338 C342	N338-A340 PolarHBondContact O-N 3.25Å; A340-C342 VanDerWaalsContact C-N 3.32Å; A340-C342 PolarHBondContact O-N 3.15Å
341	R	85	Confident	91.4	Very high	204 Å²	204	65.9 Å²	65.9	77%	0.77	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-79.4	-8.7	-175.1	-68.5	-177.4	176.1	175.4	-1.3	114.5	N338 I339	N338-R341 PolarHBondContact O-N 3.41Å; N338-R341 VanDerWaalsContact O-N 3.16Å; N338-R341 PolarHBondContact OD1-NH1 3.29Å; I339-R341 VanDerWaalsContact C-N 3.26Å; I339-R341 PolarHBondContact O-N 2.89Å
342	C	76.2	Confident	91.3	Very high	32 Å²	32	74.4 Å²	74.4	22%	0.216	37%	0.366	C	S	.	.			trans	45.9	85.6	-177.8	-178.7	0	0	0	0	113.9	A340 I378 S379 P413	A340-C342 VanDerWaalsContact C-N 3.32Å; A340-C342 PolarHBondContact O-N 3.15Å; C342-I378 HydrophobicContact CB-CG2 4.5Å; C342-I378 VanDerWaalsContact SG-CG2 3.57Å; C342-S379 PolarHBondContact SG-O 2.85Å; C342-P413 HydrophobicContact CB-CB 4.25Å; C342-P413 HydrophobicContact CB-CG 4.25Å
343	S	82.7	Confident	91.3	Very high	43 Å²	43	68.7 Å²	68.7	30%	0.301	34%	0.344	S	S	.	.			trans	-85.4	152.9	176.4	72.3	0	0	0	0	112.8	Q345 M346 A347	S343-Q345 PolarHBondContact O-N 3.2Å; S343-M346 WeakPolarHBondContact O-CB 3.23Å; S343-M346 PolarHBondContact O-N 2.93Å; S343-M346 PolarHBondContact OG-N 3.38Å; S343-M346 VanDerWaalsContact OG-N 3.1Å; S343-A347 PolarHBondContact O-N 3.02Å
344	S	87.5	Confident	91.4	Very high	111 Å²	111	70 Å²	70	78%	0.776	34%	0.344	S	S	*	.	H	α-helix	trans	-58	-32.5	169.4	53.8	0	0	0	0	112.5	M346 A347 H348	S344-M346 VanDerWaalsContact C-N 3.34Å; S344-A347 PolarHBondContact O-N 3.29Å; S344-H348 PolarHBondContact O-N 3.18Å; S344-H348 VanDerWaalsContact O-N 3.1Å
345	Q	90.3	Very high	91.5	Very high	97 Å²	97	67.1 Å²	67.1	45%	0.453	33%	0.332	S	S	.	.	H	α-helix	trans	-63.6	-38.9	174.5	-175.9	59.8	51.4	0	0	112	Y335 S343 H348 D349	Y335-Q345 WeakPolarHBondContact OH-CG 3.36Å; S343-Q345 PolarHBondContact O-N 3.2Å; Q345-H348 WeakPolarHBondContact O-CB 3.13Å; Q345-H348 PolarHBondContact O-N 2.78Å; Q345-D349 PolarHBondContact NE2-OD1 3.47Å; Q345-D349 WeakPolarHBondContact O-CB 3.22Å; Q345-D349 PolarHBondContact O-N 3.03Å
346	M	93.2	Very high	91.5	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-64.2	-42.2	178.3	-163.8	-171	-72	0	0	111.5	M331 Y335 I339 S343 S344 H348 D349 L350 I378 M427	M331-M346 HydrophobicContact CE-CB 4.42Å; M331-M346 HydrophobicContact CE-CG 3.23Å; M331-M346 HydrophobicContact CE-SD 4.24Å; Y335-M346 HydrophobicContact CD1-CE 4Å; Y335-M346 HydrophobicContact CD2-CE 3.91Å; Y335-M346 HydrophobicContact CD2-CG 4.33Å; Y335-M346 HydrophobicContact CE1-CB 4.41Å; Y335-M346 HydrophobicContact CE1-CE 4.3Å; Y335-M346 HydrophobicContact CE2-CB 4.2Å; Y335-M346 HydrophobicContact CE2-CE 4.25Å; Y335-M346 HydrophobicContact CE2-CG 3.87Å; Y335-M346 HydrophobicContact CG-CE 3.79Å; Y335-M346 WeakPolarHBondContact OH-CA 3.41Å; Y335-M346 PolarHBondContact OH-N 3.47Å; I339-M346 HydrophobicContact CB-CE 4.34Å; I339-M346 HydrophobicContact CG1-CE 3.99Å; I339-M346 HydrophobicContact CG1-SD 4.44Å; I339-M346 WeakPolarHBondContact O-CE 3.17Å; S343-M346 WeakPolarHBondContact O-CB 3.23Å; S343-M346 PolarHBondContact O-N 2.93Å; S343-M346 PolarHBondContact OG-N 3.38Å; S343-M346 VanDerWaalsContact OG-N 3.1Å; S344-M346 VanDerWaalsContact C-N 3.34Å; M346-H348 VanDerWaalsContact C-N 3.31Å; M346-H348 PolarHBondContact O-N 2.92Å; M346-D349 WeakPolarHBondContact O-CB 3.39Å; M346-D349 PolarHBondContact O-N 3.23Å; M346-L350 PolarHBondContact O-N 3.1Å; M346-L350 VanDerWaalsContact O-N 3.11Å; M346-I378 VanDerWaalsContact C-CD1 3.43Å; M346-I378 HydrophobicContact CB-CD1 3.74Å; M346-I378 HydrophobicContact CG-CD1 3.39Å; M346-I378 HydrophobicContact SD-CD1 3.65Å; M346-M427 HydrophobicContact SD-CE 4.15Å
347	A	92.5	Very high	91.5	Very high	30 Å²	30	66.3 Å²	66.3	25%	0.248	32%	0.323	C	S	.	.	H	α-helix	trans	-63.8	-38	174.9	0	0	0	0	0	111.8	S343 S344 R351 I378	S343-A347 PolarHBondContact O-N 3.02Å; S344-A347 PolarHBondContact O-N 3.29Å; A347-R351 PolarHBondContact O-N 3.14Å; A347-I378 HydrophobicContact CB-CD1 4.26Å; A347-I378 HydrophobicContact CB-CG1 4.25Å
348	H	92.1	Very high	91.5	Very high	100 Å²	100	63.8 Å²	63.8	46%	0.463	31%	0.31	S	S	.	.	H	α-helix	trans	-65.9	-43.9	173.8	-178.2	-79.7	0	0	0	112.1	S344 Q345 M346 L350 R351	S344-H348 PolarHBondContact O-N 3.18Å; S344-H348 VanDerWaalsContact O-N 3.1Å; Q345-H348 WeakPolarHBondContact O-CB 3.13Å; Q345-H348 PolarHBondContact O-N 2.78Å; M346-H348 VanDerWaalsContact C-N 3.31Å; M346-H348 PolarHBondContact O-N 2.92Å; H348-L350 VanDerWaalsContact C-N 3.3Å; H348-L350 PolarHBondContact O-N 3.49Å; H348-R351 VanDerWaalsContact O-CB 3.27Å; H348-R351 WeakPolarHBondContact O-CB 3.25Å; H348-R351 PolarHBondContact O-N 2.95Å
349	D	94.6	Very high	91.4	Very high	12 Å²	12	66.2 Å²	66.2	6%	0.064	32%	0.316	C	S	.	.	H	α-helix	trans	-59.2	-38.7	179.2	-77.3	-11	0	0	0	112.9	L293 F322 K334 Y335 Q345 M346 N439	L293-D349 HydrophobicContact CD1-CB 3.61Å; F322-D349 WeakPolarHBondContact CE2-O 3.47Å; K334-D349 VanDerWaalsContact CE-OD2 3.26Å; K334-D349 WeakPolarHBondContact CE-OD2 3.39Å; K334-D349 VanDerWaalsContact NZ-CG 3.31Å; K334-D349 IonicContact NZ-OD1 2.85Å; K334-D349 PolarHBondContact NZ-OD1 3.48Å; K334-D349 IonicContact NZ-OD2 3.28Å; K334-D349 PolarHBondContact NZ-OD2 3.22Å; Y335-D349 PolarHBondContact OH-OD2 3.14Å; Q345-D349 PolarHBondContact NE2-OD1 3.47Å; Q345-D349 WeakPolarHBondContact O-CB 3.22Å; Q345-D349 PolarHBondContact O-N 3.03Å; M346-D349 WeakPolarHBondContact O-CB 3.39Å; M346-D349 PolarHBondContact O-N 3.23Å; D349-N439 PolarHBondContact O-ND2 3.02Å
350	L	95.2	Very high	91.3	Very high	0 Å²	0	67 Å²	67	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-90.2	-4.1	-179.7	-67.5	-178	0	0	0	114.2	F322 L327 M331 M346 H348 R352 I353 V375 I378	F322-L350 HydrophobicContact CZ-CD2 4.04Å; L327-L350 HydrophobicContact CD1-CD1 3.87Å; L327-L350 HydrophobicContact CD1-CD2 3.48Å; L327-L350 VanDerWaalsContact CD1-CD2 3.48Å; L327-L350 HydrophobicContact CD1-CG 4.34Å; L327-L350 HydrophobicContact CD2-CD1 4.46Å; M331-L350 HydrophobicContact CE-CD1 3.96Å; M331-L350 HydrophobicContact CE-CD2 4.13Å; M331-L350 HydrophobicContact CE-CG 3.81Å; M331-L350 HydrophobicContact CG-CD1 4.22Å; M331-L350 HydrophobicContact CG-CD2 4.25Å; M331-L350 HydrophobicContact SD-CD1 4.2Å; M331-L350 HydrophobicContact SD-CD2 3.56Å; M331-L350 VanDerWaalsContact SD-CD2 3.56Å; M331-L350 HydrophobicContact SD-CG 3.93Å; M346-L350 PolarHBondContact O-N 3.1Å; M346-L350 VanDerWaalsContact O-N 3.11Å; H348-L350 VanDerWaalsContact C-N 3.3Å; H348-L350 PolarHBondContact O-N 3.49Å; L350-R352 PolarHBondContact O-N 3.42Å; L350-I353 WeakPolarHBondContact O-CB 3.09Å; L350-I353 WeakPolarHBondContact O-CG1 3.3Å; L350-I353 PolarHBondContact O-N 3.28Å; L350-I353 VanDerWaalsContact O-N 3.09Å; L350-V375 HydrophobicContact CB-CG1 3.77Å; L350-V375 VanDerWaalsContact O-CB 3.31Å; L350-V375 WeakPolarHBondContact O-CB 3.37Å; L350-V375 WeakPolarHBondContact O-CG1 3.48Å; L350-I378 HydrophobicContact CD1-CD1 3.9Å; L350-I378 HydrophobicContact CD1-CG1 4.38Å
351	R	93.7	Very high	91.2	Very high	145 Å²	145	65.6 Å²	65.6	55%	0.547	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	126.5	-173.8	-170.4	177.7	-174.3	-152.9	3	111.5	A347 H348 I353 N439	A347-R351 PolarHBondContact O-N 3.14Å; H348-R351 VanDerWaalsContact O-CB 3.27Å; H348-R351 WeakPolarHBondContact O-CB 3.25Å; H348-R351 PolarHBondContact O-N 2.95Å; R351-I353 PolarHBondContact O-N 3.14Å; R351-N439 PolarHBondContact O-ND2 3.46Å
352	R	94.2	Very high	91.3	Very high	180 Å²	180	62.5 Å²	62.5	68%	0.679	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	14.2	178.4	-64.4	179	175.1	-174.8	-2.2	115.5	L350 T374 V375	L350-R352 PolarHBondContact O-N 3.42Å; R352-T374 HydrophobicContact CB-CG2 4.32Å; R352-V375 WeakPolarHBondContact CA-O 3.39Å; R352-V375 PolarHBondContact N-O 3.26Å
353	I	96.3	Very high	91.6	Very high	4 Å²	4	63.2 Å²	63.2	2%	0.021	30%	0.298	C	S	.	.			trans	-69.7	133	171.7	-62	-56.6	0	0	0	109.1	F322 L350 R351 V355 V375 I432	F322-I353 HydrophobicContact CB-CD1 4.24Å; F322-I353 HydrophobicContact CD1-CD1 4.21Å; F322-I353 HydrophobicContact CD1-CG2 4.42Å; F322-I353 HydrophobicContact CD2-CD1 3.43Å; F322-I353 VanDerWaalsContact CD2-CD1 3.43Å; F322-I353 HydrophobicContact CD2-CG1 4.11Å; F322-I353 HydrophobicContact CE1-CD1 4.49Å; F322-I353 HydrophobicContact CE1-CG1 4.36Å; F322-I353 HydrophobicContact CE1-CG2 4.42Å; F322-I353 HydrophobicContact CE2-CD1 3.76Å; F322-I353 HydrophobicContact CE2-CG1 3.91Å; F322-I353 HydrophobicContact CG-CD1 3.69Å; F322-I353 HydrophobicContact CG-CG1 4.42Å; F322-I353 HydrophobicContact CZ-CD1 4.28Å; F322-I353 HydrophobicContact CZ-CG1 4.05Å; L350-I353 WeakPolarHBondContact O-CB 3.09Å; L350-I353 WeakPolarHBondContact O-CG1 3.3Å; L350-I353 PolarHBondContact O-N 3.28Å; L350-I353 VanDerWaalsContact O-N 3.09Å; R351-I353 PolarHBondContact O-N 3.14Å; I353-V355 HydrophobicContact CG2-CG1 4.3Å; I353-V375 WeakPolarHBondContact O-CG2 3.37Å; I353-V375 PolarHBondContact O-N 3.43Å; I353-I432 HydrophobicContact CG2-CG1 4.37Å; I353-I432 HydrophobicContact CG2-CG2 3.74Å
354	R	95.7	Very high	91.4	Very high	122 Å²	122	70.9 Å²	70.9	46%	0.46	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	130.5	173.7	-63.1	-175.2	171.2	-167.4	-3.4	109.6	D168 F373 L433 Q436	D168-R354 IonicContact OD1-NH1 3.15Å; R354-F373 WeakPolarHBondContact CA-O 3.28Å; R354-L433 HydrophobicContact CB-CD1 3.82Å; R354-L433 HydrophobicContact CB-CG 4.49Å; R354-L433 PolarHBondContact O-N 2.83Å; R354-Q436 VanDerWaalsContact CB-OE1 3.32Å; R354-Q436 PolarHBondContact O-NE2 3.43Å
355	V	96.8	Very high	91.1	Very high	0 Å²	0	72 Å²	72	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	155.2	-179.5	-66.3	0	0	0	0	109.4	L327 I353 R372 F373 V375 L430 N431 I432	L327-V355 HydrophobicContact CD2-CG1 4.4Å; I353-V355 HydrophobicContact CG2-CG1 4.3Å; V355-R372 CarbonylContact O-C 3.56Å; V355-R372 WeakPolarHBondContact O-CA 2.78Å; V355-F373 HydrophobicContact CG2-CB 3.93Å; V355-F373 PolarHBondContact N-O 2.87Å; V355-F373 PolarHBondContact O-N 3.29Å; V355-V375 HydrophobicContact CG1-CG2 3.94Å; V355-V375 HydrophobicContact CG2-CG2 4.02Å; V355-L430 HydrophobicContact CB-CB 4.21Å; V355-L430 HydrophobicContact CB-CD2 4.31Å; V355-L430 HydrophobicContact CG2-CB 4.46Å; V355-L430 HydrophobicContact CG2-CD1 4.19Å; V355-L430 HydrophobicContact CG2-CD2 3.84Å; V355-L430 HydrophobicContact CG2-CG 4.4Å; V355-N431 CarbonylContact C-O 3.57Å; V355-N431 WeakPolarHBondContact CA-O 3.43Å; V355-I432 HydrophobicContact CG1-CG1 4.16Å
356	E	95.5	Very high	90.7	Very high	38 Å²	38	69.4 Å²	69.4	18%	0.178	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.4	177.8	-176	170.4	161.4	0	0	109.3	S370 R371 R372 N431 L433	E356-S370 WeakPolarHBondContact OE1-CB 3.33Å; E356-S370 PolarHBondContact OE1-OG 2.97Å; E356-R371 CarbonylContact C-O 3.58Å; E356-R371 WeakPolarHBondContact CA-O 3.4Å; E356-R372 HydrophobicContact CB-CG 3.85Å; E356-R372 HydrophobicContact CG-CG 3.97Å; E356-R372 IonicContact OE2-CZ 2.66Å; E356-R372 VanDerWaalsContact OE2-CZ 3.28Å; E356-R372 IonicContact OE2-NE 3.08Å; E356-R372 PolarHBondContact OE2-NE 3.37Å; E356-R372 IonicContact OE2-NH2 2.93Å; E356-R372 PolarHBondContact OE2-NH2 2.92Å; E356-N431 PolarHBondContact N-O 3.22Å; E356-N431 PolarHBondContact O-N 3.43Å; E356-L433 HydrophobicContact CB-CD2 3.86Å; E356-L433 HydrophobicContact CB-CG 4.49Å; E356-L433 WeakPolarHBondContact OE2-CD2 3.39Å
357	T	94.9	Very high	90.2	Very high	4 Å²	4	73.8 Å²	73.8	3%	0.025	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	160.7	175.4	65.2	0	0	0	0	111.5	F360 Y361 S370 R371 F373 Q429 L430	T357-F360 HydrophobicContact CG2-CE1 4.21Å; T357-F360 HydrophobicContact CG2-CZ 4.03Å; T357-Y361 HydrophobicContact CG2-CE2 3.97Å; T357-Y361 WeakPolarHBondContact OG1-CE2 3.16Å; T357-S370 WeakPolarHBondContact O-CB 3.13Å; T357-R371 PolarHBondContact N-O 3.3Å; T357-R371 PolarHBondContact OG1-N 2.97Å; T357-F373 HydrophobicContact CG2-CD2 4.12Å; T357-F373 HydrophobicContact CG2-CE2 3.67Å; T357-Q429 WeakPolarHBondContact CA-O 3.36Å; T357-L430 HydrophobicContact CG2-CD2 3.8Å
358	D	90.7	Very high	90	Very high	78 Å²	78	75.9 Å²	75.9	42%	0.417	36%	0.358	S	S	.	.			trans	-60.7	163.1	159.1	-64.5	-33.4	0	0	0	110.7	F360 N431	D358-F360 HydrophobicContact CB-CD1 4.19Å; D358-F360 VanDerWaalsContact O-CD1 3.26Å; D358-F360 WeakPolarHBondContact O-CD1 3.32Å; D358-F360 PolarHBondContact O-N 3.47Å; D358-N431 PolarHBondContact OD1-ND2 2.93Å
359	K	89.3	Confident	89.9	Confident	136 Å²	136	71.9 Å²	71.9	59%	0.591	34%	0.339	S	S	*	.	S	Bend	trans	-78.7	84.9	-179.5	-66.9	-172.3	178.5	-172.8	0	110.9	V368	K359-V368 HydrophobicContact CB-CB 4.24Å; K359-V368 HydrophobicContact CB-CG2 4.18Å
360	F	90.2	Very high	89.7	Confident	24 Å²	24	71.3 Å²	71.3	11%	0.105	34%	0.336	C	S	.	.			trans	-127.7	-8.6	175.7	62	-105.1	0	0	0	114.2	T357 D358 F399 H403 I405 Q429	T357-F360 HydrophobicContact CG2-CE1 4.21Å; T357-F360 HydrophobicContact CG2-CZ 4.03Å; D358-F360 HydrophobicContact CB-CD1 4.19Å; D358-F360 VanDerWaalsContact O-CD1 3.26Å; D358-F360 WeakPolarHBondContact O-CD1 3.32Å; D358-F360 PolarHBondContact O-N 3.47Å; F360-F399 HydrophobicContact CE2-CE1 4.05Å; F360-F399 AromaticContact CZ-CE1 3.81Å; F360-F399 HydrophobicContact CZ-CE1 3.81Å; F360-F399 HydrophobicContact CZ-CZ 4.44Å; F360-H403 HydrophobicContact CD2-CB 4.32Å; F360-H403 AromaticContact CD2-CG 3.89Å; F360-H403 AromaticContact CD2-ND1 3.77Å; F360-I405 HydrophobicContact CB-CD1 3.89Å; F360-I405 HydrophobicContact CD1-CD1 3.82Å; F360-I405 HydrophobicContact CD2-CD1 4.18Å; F360-I405 HydrophobicContact CE1-CD1 4.38Å; F360-I405 HydrophobicContact CG-CD1 3.71Å; F360-Q429 HydrophobicContact CE1-CB 4.38Å
361	Y	88.9	Confident	89.5	Confident	17 Å²	17	74.9 Å²	74.9	7%	0.067	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	139.1	172.1	-67.4	-84.9	0	0	0	109.8	T357 V368 Y369 R371 M425	T357-Y361 HydrophobicContact CG2-CE2 3.97Å; T357-Y361 WeakPolarHBondContact OG1-CE2 3.16Å; Y361-V368 CarbonylContact O-C 3.58Å; Y361-V368 WeakPolarHBondContact O-CA 3.34Å; Y361-Y369 VanDerWaalsContact CB-CZ 3.41Å; Y361-Y369 HydrophobicContact CG-CE2 4.24Å; Y361-Y369 PolarHBondContact N-O 3.2Å; Y361-Y369 VanDerWaalsContact O-CD1 3.22Å; Y361-Y369 WeakPolarHBondContact O-CD1 3.46Å; Y361-Y369 PolarHBondContact O-N 3.24Å; Y361-R371 HydrophobicContact CD2-CB 4.14Å; Y361-R371 HydrophobicContact CD2-CG 3.67Å; Y361-R371 HydrophobicContact CE2-CB 3.8Å; Y361-R371 HydrophobicContact CE2-CG 3.71Å; Y361-R371 HydrophobicContact CG-CG 4.11Å; Y361-M425 WeakPolarHBondContact OH-CE 3.44Å
362	K	87	Confident	89.4	Confident	140 Å²	140	73.1 Å²	73.1	61%	0.609	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	135.9	177.2	-63.6	178.9	-177.8	176.2	0	110.9	D367 V368	K362-D367 WeakPolarHBondContact CA-O 3.4Å; K362-V368 HydrophobicContact CG-CG1 4.25Å
363	N	82.1	Confident	89.5	Confident	46 Å²	46	66.2 Å²	66.2	25%	0.246	32%	0.318	C	S	.	.			trans	-81.9	-178.3	169.7	71.7	4.7	0	0	0	110.4	N365 G366 D367 Y369	N363-N365 PolarHBondContact O-N 3.2Å; N363-N365 WeakPolarHBondContact OD1-CA 3.39Å; N363-N365 WeakPolarHBondContact OD1-CB 3.34Å; N363-N365 PolarHBondContact OD1-N 3.33Å; N363-G366 PolarHBondContact O-N 2.96Å; N363-G366 PolarHBondContact OD1-N 2.96Å; N363-D367 PolarHBondContact N-O 2.95Å; N363-D367 WeakPolarHBondContact ND2-CB 3.36Å; N363-D367 PolarHBondContact ND2-OD2 3.04Å; N363-D367 PolarHBondContact OD1-N 3.22Å; N363-Y369 HydrophobicContact CB-CD1 4.33Å; N363-Y369 HydrophobicContact CB-CE1 4.25Å
364	E	79.1	Confident	89.4	Confident	204 Å²	204	68.2 Å²	68.2	95%	0.953	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-27.9	178.1	-66	177.6	-179.5	0	0	113.1	G366	E364-G366 VanDerWaalsContact C-N 3.33Å
365	N	80	Confident	89.4	Confident	136 Å²	136	62.4 Å²	62.4	73%	0.727	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.9	178.2	-59.1	-19.5	0	0	0	113.1	N363	N363-N365 PolarHBondContact O-N 3.2Å; N363-N365 WeakPolarHBondContact OD1-CA 3.39Å; N363-N365 WeakPolarHBondContact OD1-CB 3.34Å; N363-N365 PolarHBondContact OD1-N 3.33Å
366	G	81.7	Confident	89.3	Confident	42 Å²	42	66 Å²	66	43%	0.433	33%	0.325	S	S	.	.			trans	87.3	0.2	-175.7	0	0	0	0	0	115.5	N363 E364	N363-G366 PolarHBondContact O-N 2.96Å; N363-G366 PolarHBondContact OD1-N 2.96Å; E364-G366 VanDerWaalsContact C-N 3.33Å
367	D	83.8	Confident	89.3	Confident	91 Å²	91	64.8 Å²	64.8	49%	0.487	32%	0.323	S	S	.	.			trans	-69.1	138.9	178.1	-52.5	-57	0	0	0	111.4	K362 N363	K362-D367 WeakPolarHBondContact CA-O 3.4Å; N363-D367 PolarHBondContact N-O 2.95Å; N363-D367 WeakPolarHBondContact ND2-CB 3.36Å; N363-D367 PolarHBondContact ND2-OD2 3.04Å; N363-D367 PolarHBondContact OD1-N 3.22Å
368	V	88.8	Confident	89.2	Confident	75 Å²	75	65.6 Å²	65.6	46%	0.455	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	132.1	179.3	-66.3	0	0	0	0	112.5	K359 Y361 K362	K359-V368 HydrophobicContact CB-CB 4.24Å; K359-V368 HydrophobicContact CB-CG2 4.18Å; Y361-V368 CarbonylContact O-C 3.58Å; Y361-V368 WeakPolarHBondContact O-CA 3.34Å; K362-V368 HydrophobicContact CG-CG1 4.25Å
369	Y	88.5	Confident	89.4	Confident	15 Å²	15	62 Å²	62	6%	0.059	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	161.7	179.8	71.2	-87.8	0	0	0	112.1	G217 R218 Y361 N363 R371	G217-Y369 WeakPolarHBondContact O-CB 3.36Å; R218-Y369 HydrophobicContact CB-CD2 3.62Å; R218-Y369 HydrophobicContact CB-CE2 4.08Å; R218-Y369 HydrophobicContact CB-CG 4.08Å; R218-Y369 HydrophobicContact CG-CD2 3.62Å; R218-Y369 HydrophobicContact CG-CE2 3.54Å; R218-Y369 HydrophobicContact CG-CG 4.19Å; Y361-Y369 VanDerWaalsContact CB-CZ 3.41Å; Y361-Y369 HydrophobicContact CG-CE2 4.24Å; Y361-Y369 PolarHBondContact N-O 3.2Å; Y361-Y369 VanDerWaalsContact O-CD1 3.22Å; Y361-Y369 WeakPolarHBondContact O-CD1 3.46Å; Y361-Y369 PolarHBondContact O-N 3.24Å; N363-Y369 HydrophobicContact CB-CD1 4.33Å; N363-Y369 HydrophobicContact CB-CE1 4.25Å; Y369-R371 HydrophobicContact CD2-CG 4.25Å; Y369-R371 HydrophobicContact CE2-CG 3.7Å; Y369-R371 PolarHBondContact OH-NE 3.04Å; Y369-R371 PolarHBondContact OH-NH2 3.34Å
370	S	90.6	Very high	89.4	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.007	32%	0.317	C	S	.	.			trans	-98.9	155.8	176.7	60.7	0	0	0	0	111	L216 E356 T357	L216-S370 PolarHBondContact O-N 3.02Å; L216-S370 PolarHBondContact O-OG 3.49Å; E356-S370 WeakPolarHBondContact OE1-CB 3.33Å; E356-S370 PolarHBondContact OE1-OG 2.97Å; T357-S370 WeakPolarHBondContact O-CB 3.13Å
371	R	91.3	Very high	89.5	Confident	74 Å²	74	62 Å²	62	28%	0.279	33%	0.326	S	S	.	.			trans	-118.5	135.3	171.3	-72.1	-171.7	178.6	-173.9	-2.3	110.3	E356 T357 Y361 Y369 F373	E356-R371 CarbonylContact C-O 3.58Å; E356-R371 WeakPolarHBondContact CA-O 3.4Å; T357-R371 PolarHBondContact N-O 3.3Å; T357-R371 PolarHBondContact OG1-N 2.97Å; Y361-R371 HydrophobicContact CD2-CB 4.14Å; Y361-R371 HydrophobicContact CD2-CG 3.67Å; Y361-R371 HydrophobicContact CE2-CB 3.8Å; Y361-R371 HydrophobicContact CE2-CG 3.71Å; Y361-R371 HydrophobicContact CG-CG 4.11Å; Y369-R371 HydrophobicContact CD2-CG 4.25Å; Y369-R371 HydrophobicContact CE2-CG 3.7Å; Y369-R371 PolarHBondContact OH-NE 3.04Å; Y369-R371 PolarHBondContact OH-NH2 3.34Å; R371-F373 HydrophobicContact CB-CD2 4.39Å; R371-F373 HydrophobicContact CB-CE1 4.48Å; R371-F373 HydrophobicContact CB-CE2 3.56Å; R371-F373 HydrophobicContact CB-CZ 3.62Å; R371-F373 HydrophobicContact CG-CZ 4.43Å
372	R	92.9	Very high	89.8	Confident	108 Å²	108	62.7 Å²	62.7	41%	0.408	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	137.8	169	-82.4	172.2	-167.8	161.4	7.6	111	L216 V355 E356 L433	L216-R372 HydrophobicContact CD2-CB 3.96Å; L216-R372 HydrophobicContact CD2-CG 3.51Å; V355-R372 CarbonylContact O-C 3.56Å; V355-R372 WeakPolarHBondContact O-CA 2.78Å; E356-R372 HydrophobicContact CB-CG 3.85Å; E356-R372 HydrophobicContact CG-CG 3.97Å; E356-R372 IonicContact OE2-CZ 2.66Å; E356-R372 VanDerWaalsContact OE2-CZ 3.28Å; E356-R372 IonicContact OE2-NE 3.08Å; E356-R372 PolarHBondContact OE2-NE 3.37Å; E356-R372 IonicContact OE2-NH2 2.93Å; E356-R372 PolarHBondContact OE2-NH2 2.92Å; R372-L433 HydrophobicContact CG-CD1 4.24Å
373	F	94.6	Very high	90.2	Very high	36 Å²	36	56 Å²	56	16%	0.158	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	162	176.3	-60.5	-74.4	0	0	0	110.6	R354 V355 T357 R371 V417 M425 L430	R354-F373 WeakPolarHBondContact CA-O 3.28Å; V355-F373 HydrophobicContact CG2-CB 3.93Å; V355-F373 PolarHBondContact N-O 2.87Å; V355-F373 PolarHBondContact O-N 3.29Å; T357-F373 HydrophobicContact CG2-CD2 4.12Å; T357-F373 HydrophobicContact CG2-CE2 3.67Å; R371-F373 HydrophobicContact CB-CD2 4.39Å; R371-F373 HydrophobicContact CB-CE1 4.48Å; R371-F373 HydrophobicContact CB-CE2 3.56Å; R371-F373 HydrophobicContact CB-CZ 3.62Å; R371-F373 HydrophobicContact CG-CZ 4.43Å; F373-V417 HydrophobicContact CB-CB 3.77Å; F373-V417 HydrophobicContact CB-CG1 3.7Å; F373-V417 HydrophobicContact CD1-CB 3.77Å; F373-V417 HydrophobicContact CD1-CG1 4.35Å; F373-V417 HydrophobicContact CD1-CG2 3.97Å; F373-V417 HydrophobicContact CD2-CG1 4.32Å; F373-V417 HydrophobicContact CE1-CG2 4.25Å; F373-V417 HydrophobicContact CG-CB 3.8Å; F373-V417 HydrophobicContact CG-CG1 3.88Å; F373-V417 HydrophobicContact CG-CG2 4.32Å; F373-M425 HydrophobicContact CE2-CE 4.32Å; F373-M425 HydrophobicContact CE2-CG 4.43Å; F373-M425 HydrophobicContact CZ-CE 4.02Å; F373-L430 HydrophobicContact CD2-CD2 4.28Å
374	T	95.3	Very high	90.9	Very high	45 Å²	45	57 Å²	57	28%	0.276	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.4	166.9	-61.3	0	0	0	0	107.9	R352 H376	R352-T374 HydrophobicContact CB-CG2 4.32Å; T374-H376 PolarHBondContact O-CD2 3.07Å; T374-H376 PolarHBondContact O-N 2.89Å
375	V	96.1	Very high	91.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.292	C	S	.	.			trans	-74.8	123.7	179.8	177.1	0	0	0	0	110.3	L350 R352 I353 V355 V415	L350-V375 HydrophobicContact CB-CG1 3.77Å; L350-V375 VanDerWaalsContact O-CB 3.31Å; L350-V375 WeakPolarHBondContact O-CB 3.37Å; L350-V375 WeakPolarHBondContact O-CG1 3.48Å; R352-V375 WeakPolarHBondContact CA-O 3.39Å; R352-V375 PolarHBondContact N-O 3.26Å; I353-V375 WeakPolarHBondContact O-CG2 3.37Å; I353-V375 PolarHBondContact O-N 3.43Å; V355-V375 HydrophobicContact CG1-CG2 3.94Å; V355-V375 HydrophobicContact CG2-CG2 4.02Å; V375-V415 HydrophobicContact CB-CG1 3.92Å; V375-V415 HydrophobicContact CG1-CG1 3.38Å; V375-V415 HydrophobicContact CG2-CG1 3.52Å
376	H	94.8	Very high	92.4	Very high	75 Å²	75	48.5 Å²	48.5	35%	0.347	26%	0.263	S	S	.	.			trans	-110.2	-15.8	179.8	-71.3	-75.5	0	0	0	113.6	T374 K416	T374-H376 PolarHBondContact O-CD2 3.07Å; T374-H376 PolarHBondContact O-N 2.89Å; H376-K416 PolarHBondContact N-O 3.18Å
377	G	94.2	Very high	93.1	Very high	13 Å²	13	50.8 Å²	50.8	13%	0.134	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.9	-171.9	179.9	0	0	0	0	0	112.3	K416	G377-K416 PolarHBondContact N-O 3.07Å; G377-K416 PolarHBondContact O-N 3.31Å
378	I	94	Very high	93.5	Very high	21 Å²	21	48.7 Å²	48.7	11%	0.108	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	141.6	179.5	-56.7	178.2	0	0	0	107.6	C342 M346 A347 L350 P413 C414 M427	C342-I378 HydrophobicContact CB-CG2 4.5Å; C342-I378 VanDerWaalsContact SG-CG2 3.57Å; M346-I378 VanDerWaalsContact C-CD1 3.43Å; M346-I378 HydrophobicContact CB-CD1 3.74Å; M346-I378 HydrophobicContact CG-CD1 3.39Å; M346-I378 HydrophobicContact SD-CD1 3.65Å; A347-I378 HydrophobicContact CB-CD1 4.26Å; A347-I378 HydrophobicContact CB-CG1 4.25Å; L350-I378 HydrophobicContact CD1-CD1 3.9Å; L350-I378 HydrophobicContact CD1-CG1 4.38Å; I378-P413 HydrophobicContact CG2-CB 3.64Å; I378-P413 HydrophobicContact CG2-CG 3.97Å; I378-C414 CarbonylContact C-O 3.6Å; I378-C414 WeakPolarHBondContact CA-O 3.23Å; I378-C414 WeakPolarHBondContact CG2-O 3.07Å; I378-M427 HydrophobicContact CD1-CE 4.11Å; I378-M427 HydrophobicContact CG1-CE 4.32Å; I378-M427 HydrophobicContact CG2-CE 3.65Å
379	S	94.3	Very high	93.5	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.014	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	143.6	176.3	66.9	0	0	0	0	111	C342 V381 P413 C414	C342-S379 PolarHBondContact SG-O 2.85Å; S379-V381 PolarHBondContact O-N 3.46Å; S379-V381 PolarHBondContact OG-O 3.4Å; S379-P413 VanDerWaalsContact O-CB 3.27Å; S379-P413 WeakPolarHBondContact O-CB 3.47Å; S379-C414 PolarHBondContact N-O 3.45Å; S379-C414 PolarHBondContact OG-N 3.01Å; S379-C414 PolarHBondContact OG-O 3.17Å
380	S	89.6	Confident	93.5	Very high	111 Å²	111	60.8 Å²	60.8	78%	0.776	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	-9.1	173.2	54.9	0	0	0	0	113.6
381	V	92.5	Very high	93.4	Very high	51 Å²	51	66.9 Å²	66.9	31%	0.309	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	140.2	-175.3	-176.8	0	0	0	0	108.8	S379 K385 L386	S379-V381 PolarHBondContact O-N 3.46Å; S379-V381 PolarHBondContact OG-O 3.4Å; V381-K385 HydrophobicContact CG1-CB 3.49Å; V381-K385 VanDerWaalsContact CG1-CB 3.49Å; V381-L386 HydrophobicContact CB-CB 4.46Å; V381-L386 HydrophobicContact CB-CD1 4.36Å; V381-L386 HydrophobicContact CG1-CB 4.42Å
382	P	95.3	Very high	93.5	Very high	30 Å²	30	72.1 Å²	72.1	20%	0.195	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	161.3	177.4	28.2	-38.2	0	0	0	113.7	D384 K385 L386 D411 L412	P382-D384 VanDerWaalsContact C-N 3.29Å; P382-D384 WeakPolarHBondContact CB-OD1 3.48Å; P382-D384 WeakPolarHBondContact CG-OD1 3.3Å; P382-D384 PolarHBondContact O-N 2.83Å; P382-K385 HydrophobicContact CG-CB 4.25Å; P382-K385 HydrophobicContact CG-CD 3.99Å; P382-K385 HydrophobicContact CG-CG 4.43Å; P382-K385 CarbonylContact O-C 3.39Å; P382-K385 PolarHBondContact O-N 3.35Å; P382-K385 VanDerWaalsContact O-N 3.08Å; P382-L386 VanDerWaalsContact O-CB 3.25Å; P382-L386 WeakPolarHBondContact O-CB 3.43Å; P382-L386 PolarHBondContact O-N 2.95Å; P382-D411 VanDerWaalsContact CB-C 3.46Å; P382-D411 VanDerWaalsContact CB-O 3.26Å; P382-D411 WeakPolarHBondContact CB-O 3.39Å; P382-L412 WeakPolarHBondContact CA-O 3.4Å
383	A	95.7	Very high	93.6	Very high	1 Å²	1	68.4 Å²	68.4	1%	0.008	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-33.5	-174.2	0	0	0	0	0	114.2	K385 V395 A396 L407 P410 L412 C414	A383-K385 VanDerWaalsContact C-N 3.26Å; A383-K385 PolarHBondContact O-N 3.29Å; A383-V395 PolarHBondContact O-N 3.32Å; A383-A396 HydrophobicContact CB-CB 4.37Å; A383-A396 PolarHBondContact O-N 3.04Å; A383-L407 HydrophobicContact CB-CD1 3.84Å; A383-P410 WeakPolarHBondContact CB-O 3.26Å; A383-P410 PolarHBondContact N-O 3.49Å; A383-P410 VanDerWaalsContact N-O 3.12Å; A383-L412 PolarHBondContact N-O 2.94Å; A383-C414 VanDerWaalsContact CB-SG 3.5Å
384	D	96.4	Very high	93.6	Very high	65 Å²	65	67.5 Å²	67.5	35%	0.348	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-23.1	176.9	65.9	-20.1	0	0	0	114.1	P382 S394 A396 P410	P382-D384 VanDerWaalsContact C-N 3.29Å; P382-D384 WeakPolarHBondContact CB-OD1 3.48Å; P382-D384 WeakPolarHBondContact CG-OD1 3.3Å; P382-D384 PolarHBondContact O-N 2.83Å; D384-S394 WeakPolarHBondContact O-CB 3.38Å; D384-S394 PolarHBondContact O-OG 2.87Å; D384-A396 HydrophobicContact CB-CB 4.47Å; D384-P410 HydrophobicContact CB-CB 4.21Å; D384-P410 PolarHBondContact N-O 2.82Å
385	K	95.7	Very high	93.7	Very high	139 Å²	139	65.6 Å²	65.6	60%	0.604	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.4	-13.7	-177	-66.9	168.4	-166.1	171.1	0	113.6	V381 P382 A383 M387	V381-K385 HydrophobicContact CG1-CB 3.49Å; V381-K385 VanDerWaalsContact CG1-CB 3.49Å; P382-K385 HydrophobicContact CG-CB 4.25Å; P382-K385 HydrophobicContact CG-CD 3.99Å; P382-K385 HydrophobicContact CG-CG 4.43Å; P382-K385 CarbonylContact O-C 3.39Å; P382-K385 PolarHBondContact O-N 3.35Å; P382-K385 VanDerWaalsContact O-N 3.08Å; A383-K385 VanDerWaalsContact C-N 3.26Å; A383-K385 PolarHBondContact O-N 3.29Å; K385-M387 PolarHBondContact O-N 2.8Å
386	L	95.4	Very high	93.7	Very high	24 Å²	24	66.4 Å²	66.4	13%	0.126	33%	0.332	C	S	.	.			trans	-74.5	106.6	179.4	-178.8	63.1	0	0	0	109.6	V381 P382 S394 V395 C414 Y424	V381-L386 HydrophobicContact CB-CB 4.46Å; V381-L386 HydrophobicContact CB-CD1 4.36Å; V381-L386 HydrophobicContact CG1-CB 4.42Å; P382-L386 VanDerWaalsContact O-CB 3.25Å; P382-L386 WeakPolarHBondContact O-CB 3.43Å; P382-L386 PolarHBondContact O-N 2.95Å; L386-S394 CarbonylContact O-C 3.56Å; L386-S394 VanDerWaalsContact O-CA 3.24Å; L386-S394 WeakPolarHBondContact O-CA 3.4Å; L386-V395 HydrophobicContact CB-CG2 4.24Å; L386-V395 HydrophobicContact CD2-CG2 3.9Å; L386-V395 HydrophobicContact CG-CG2 3.98Å; L386-V395 PolarHBondContact O-N 3.49Å; L386-C414 HydrophobicContact CD2-CB 3.77Å; L386-Y424 HydrophobicContact CD2-CD1 4.05Å; L386-Y424 HydrophobicContact CD2-CD2 4.03Å; L386-Y424 HydrophobicContact CD2-CG 3.69Å
387	M	95.4	Very high	93.8	Very high	90 Å²	90	64.8 Å²	64.8	44%	0.443	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	136.3	-175	-64.5	-60.6	-71.6	0	0	112.5	K385 K392	K385-M387 PolarHBondContact O-N 2.8Å; M387-K392 VanDerWaalsContact CE-C 3.44Å; M387-K392 WeakPolarHBondContact CE-O 3.32Å
388	I	92.8	Very high	93.9	Very high	46 Å²	46	66.7 Å²	66.7	24%	0.236	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	97.6	163.6	-54.6	174.2	0	0	0	106.7	E390 R391 K392 Q393 V395 Y398	I388-E390 VanDerWaalsContact C-N 3.26Å; I388-E390 PolarHBondContact O-N 3.43Å; I388-E390 VanDerWaalsContact O-N 3.16Å; I388-R391 HydrophobicContact CB-CB 4.46Å; I388-R391 HydrophobicContact CG2-CB 4.23Å; I388-R391 HydrophobicContact CG2-CG 4.29Å; I388-R391 CarbonylContact O-C 3.5Å; I388-R391 PolarHBondContact O-N 3.07Å; I388-K392 PolarHBondContact O-N 3.47Å; I388-Q393 PolarHBondContact N-O 3.2Å; I388-V395 HydrophobicContact CD1-CG2 4.3Å; I388-V395 HydrophobicContact CG1-CG2 4Å; I388-Y398 HydrophobicContact CD1-CD1 4.17Å; I388-Y398 HydrophobicContact CD1-CD2 3.92Å; I388-Y398 HydrophobicContact CD1-CG 3.61Å
389	E	88.5	Confident	94	Very high	154 Å²	154	65.8 Å²	65.8	72%	0.72	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-51.3	-42.4	-172.6	-64.8	-57.1	140.9	0	0	113.4	R391 K392	E389-R391 PolarHBondContact O-N 3.4Å; E389-K392 PolarHBondContact O-N 2.85Å
390	E	88	Confident	94.1	Very high	191 Å²	191	69.6 Å²	69.6	89%	0.893	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-62.9	-27.5	-179.9	-63.4	177.4	-177.2	0	0	113.4	I388	I388-E390 VanDerWaalsContact C-N 3.26Å; I388-E390 PolarHBondContact O-N 3.43Å; I388-E390 VanDerWaalsContact O-N 3.16Å
391	R	89.1	Confident	94.4	Very high	128 Å²	128	69.9 Å²	69.9	48%	0.483	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-110.6	-5.6	-176.8	-65.6	-173.6	172.5	-86.9	-0.1	113.8	I388 E389 Q393	I388-R391 HydrophobicContact CB-CB 4.46Å; I388-R391 HydrophobicContact CG2-CB 4.23Å; I388-R391 HydrophobicContact CG2-CG 4.29Å; I388-R391 CarbonylContact O-C 3.5Å; I388-R391 PolarHBondContact O-N 3.07Å; E389-R391 PolarHBondContact O-N 3.4Å; R391-Q393 HydrophobicContact CB-CG 3.76Å; R391-Q393 PolarHBondContact O-N 3.43Å; R391-Q393 VanDerWaalsContact O-N 3.15Å
392	K	92.1	Very high	94.3	Very high	184 Å²	184	70.8 Å²	70.8	80%	0.8	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	36.4	-176.5	-59.4	-176.3	178.9	-179.8	0	113.8	M387 I388 E389	M387-K392 VanDerWaalsContact CE-C 3.44Å; M387-K392 WeakPolarHBondContact CE-O 3.32Å; I388-K392 PolarHBondContact O-N 3.47Å; E389-K392 PolarHBondContact O-N 2.85Å
393	Q	94.9	Very high	94.2	Very high	30 Å²	30	71.1 Å²	71.1	14%	0.14	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	156.9	176.9	61.5	175.3	-61.7	0	0	110.6	I388 R391 A397 E401 H402	I388-Q393 PolarHBondContact N-O 3.2Å; R391-Q393 HydrophobicContact CB-CG 3.76Å; R391-Q393 PolarHBondContact O-N 3.43Å; R391-Q393 VanDerWaalsContact O-N 3.15Å; Q393-A397 HydrophobicContact CB-CB 4.3Å; Q393-A397 VanDerWaalsContact OE1-C 3.31Å; Q393-E401 PolarHBondContact NE2-OE2 2.88Å; Q393-E401 PolarHBondContact OE1-OE2 3.28Å; Q393-H402 PolarHBondContact NE2-NE2 3.28Å
394	S	96.5	Very high	94.1	Very high	18 Å²	18	78.2 Å²	78.2	13%	0.126	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	159.8	176.6	67.8	0	0	0	0	111.8	D384 L386 A396 A397 Y398	D384-S394 WeakPolarHBondContact O-CB 3.38Å; D384-S394 PolarHBondContact O-OG 2.87Å; L386-S394 CarbonylContact O-C 3.56Å; L386-S394 VanDerWaalsContact O-CA 3.24Å; L386-S394 WeakPolarHBondContact O-CA 3.4Å; S394-A396 PolarHBondContact O-N 2.81Å; S394-A397 PolarHBondContact O-N 2.93Å; S394-A397 PolarHBondContact OG-N 3.13Å; S394-Y398 WeakPolarHBondContact O-CB 3.34Å; S394-Y398 PolarHBondContact O-N 3.18Å
395	V	96.3	Very high	94	Very high	5 Å²	5	76.6 Å²	76.6	3%	0.03	36%	0.363	C	S	.	.	H	α-helix	trans	-57.4	-40.2	175.2	173.9	0	0	0	0	111	A383 L386 I388 Y398 F399 P426	A383-V395 PolarHBondContact O-N 3.32Å; L386-V395 HydrophobicContact CB-CG2 4.24Å; L386-V395 HydrophobicContact CD2-CG2 3.9Å; L386-V395 HydrophobicContact CG-CG2 3.98Å; L386-V395 PolarHBondContact O-N 3.49Å; I388-V395 HydrophobicContact CD1-CG2 4.3Å; I388-V395 HydrophobicContact CG1-CG2 4Å; V395-Y398 PolarHBondContact O-N 2.9Å; V395-F399 HydrophobicContact CG1-CD2 3.93Å; V395-F399 HydrophobicContact CG1-CE2 4.02Å; V395-F399 WeakPolarHBondContact O-CD2 3.3Å; V395-F399 PolarHBondContact O-N 2.94Å; V395-P426 HydrophobicContact CG1-CG 3.79Å
396	A	97	Very high	94	Very high	17 Å²	17	78.2 Å²	78.2	14%	0.14	37%	0.37	C	S	.	.	H	α-helix	trans	-62.1	-45.8	176.4	0	0	0	0	0	112.5	A383 D384 S394 Y398 F399 D400 L407 P410	A383-A396 HydrophobicContact CB-CB 4.37Å; A383-A396 PolarHBondContact O-N 3.04Å; D384-A396 HydrophobicContact CB-CB 4.47Å; S394-A396 PolarHBondContact O-N 2.81Å; A396-Y398 VanDerWaalsContact C-N 3.31Å; A396-Y398 PolarHBondContact O-N 3.44Å; A396-F399 PolarHBondContact O-N 2.91Å; A396-D400 PolarHBondContact O-N 3.44Å; A396-D400 VanDerWaalsContact O-N 3.16Å; A396-L407 HydrophobicContact CB-CD1 3.83Å; A396-P410 HydrophobicContact CB-CB 4.32Å
397	A	96.9	Very high	94.1	Very high	40 Å²	40	77.8 Å²	77.8	33%	0.331	37%	0.368	S	S	.	.	H	α-helix	trans	-62.8	-39.1	176.5	0	0	0	0	0	111.7	Q393 S394 F399 D400 E401	Q393-A397 HydrophobicContact CB-CB 4.3Å; Q393-A397 VanDerWaalsContact OE1-C 3.31Å; S394-A397 PolarHBondContact O-N 2.93Å; S394-A397 PolarHBondContact OG-N 3.13Å; A397-F399 PolarHBondContact O-N 3.43Å; A397-D400 PolarHBondContact O-N 2.82Å; A397-E401 WeakPolarHBondContact O-CB 3.15Å; A397-E401 PolarHBondContact O-N 3.24Å
398	Y	96.1	Very high	94.1	Very high	53 Å²	53	81.5 Å²	81.5	21%	0.208	38%	0.382	C	S	.	.	H	α-helix	trans	-62.7	-42.8	177.9	174.2	-89.7	0	0	0	112.6	I388 S394 V395 A396 H402 H403	I388-Y398 HydrophobicContact CD1-CD1 4.17Å; I388-Y398 HydrophobicContact CD1-CD2 3.92Å; I388-Y398 HydrophobicContact CD1-CG 3.61Å; S394-Y398 WeakPolarHBondContact O-CB 3.34Å; S394-Y398 PolarHBondContact O-N 3.18Å; V395-Y398 PolarHBondContact O-N 2.9Å; A396-Y398 VanDerWaalsContact C-N 3.31Å; A396-Y398 PolarHBondContact O-N 3.44Å; Y398-H402 HydrophobicContact CD2-CB 4.41Å; Y398-H402 AromaticContact CD2-CD2 3.3Å; Y398-H402 WeakPolarHBondContact CD2-CD2 3.45Å; Y398-H402 AromaticContact CD2-CG 3.9Å; Y398-H402 HydrophobicContact CE1-CB 4.45Å; Y398-H402 HydrophobicContact CE2-CB 4.06Å; Y398-H402 AromaticContact CE2-CD2 3.51Å; Y398-H402 AromaticContact CE2-CG 3.62Å; Y398-H402 WeakPolarHBondContact O-CB 3.43Å; Y398-H402 PolarHBondContact O-CD2 3.11Å; Y398-H402 PolarHBondContact O-N 3.14Å; Y398-H403 AromaticContact CE1-CD2 3.86Å; Y398-H403 AromaticContact CE1-NE2 3.67Å
399	F	96.2	Very high	94.2	Very high	3 Å²	3	84.6 Å²	84.6	1%	0.013	39%	0.391	C	S	.	.	H	α-helix	trans	-67	-36.5	177.2	-91.4	-101.5	0	0	0	112.4	F360 V395 A396 A397 H403 H404 I405 L407 M425 P426 Q429	F360-F399 HydrophobicContact CE2-CE1 4.05Å; F360-F399 AromaticContact CZ-CE1 3.81Å; F360-F399 HydrophobicContact CZ-CE1 3.81Å; F360-F399 HydrophobicContact CZ-CZ 4.44Å; V395-F399 HydrophobicContact CG1-CD2 3.93Å; V395-F399 HydrophobicContact CG1-CE2 4.02Å; V395-F399 WeakPolarHBondContact O-CD2 3.3Å; V395-F399 PolarHBondContact O-N 2.94Å; A396-F399 PolarHBondContact O-N 2.91Å; A397-F399 PolarHBondContact O-N 3.43Å; F399-H403 HydrophobicContact CD1-CB 4.49Å; F399-H403 CarbonylContact O-C 3.56Å; F399-H403 WeakPolarHBondContact O-CA 3.14Å; F399-H403 WeakPolarHBondContact O-CB 3.39Å; F399-H403 PolarHBondContact O-N 3.3Å; F399-H403 VanDerWaalsContact O-N 3.13Å; F399-H404 PolarHBondContact O-N 2.68Å; F399-H404 VanDerWaalsContact O-N 3.09Å; F399-I405 CarbonylContact C-O 3.33Å; F399-I405 HydrophobicContact CD1-CB 4.44Å; F399-I405 HydrophobicContact CD1-CD1 4.35Å; F399-I405 PolarHBondContact O-N 2.87Å; F399-L407 HydrophobicContact CB-CD2 4.17Å; F399-L407 HydrophobicContact CB-CG 4.48Å; F399-L407 HydrophobicContact CD1-CD2 4.4Å; F399-L407 HydrophobicContact CG-CD2 4.33Å; F399-M425 HydrophobicContact CE2-SD 4.38Å; F399-M425 HydrophobicContact CZ-SD 3.72Å; F399-P426 HydrophobicContact CD2-CG 3.91Å; F399-P426 HydrophobicContact CE1-CG 4.41Å; F399-P426 HydrophobicContact CE2-CG 3.79Å; F399-P426 HydrophobicContact CG-CG 4.29Å; F399-P426 HydrophobicContact CZ-CG 4.05Å; F399-Q429 HydrophobicContact CD1-CG 4.26Å; F399-Q429 HydrophobicContact CE1-CB 4.35Å; F399-Q429 HydrophobicContact CE1-CG 4.01Å
400	D	96.5	Very high	94.6	Very high	82 Å²	82	79.4 Å²	79.4	44%	0.439	37%	0.371	S	S	.	.	H	α-helix	trans	-68.3	-47.7	175.7	-163.6	18.2	0	0	0	111.3	A396 A397 H404 I405	A396-D400 PolarHBondContact O-N 3.44Å; A396-D400 VanDerWaalsContact O-N 3.16Å; A397-D400 PolarHBondContact O-N 2.82Å; D400-H404 WeakPolarHBondContact O-CA 3.4Å; D400-H404 PolarHBondContact O-N 3.29Å; D400-H404 VanDerWaalsContact O-N 3.16Å; D400-I405 WeakPolarHBondContact CA-O 3.28Å; D400-I405 PolarHBondContact N-O 3.32Å
401	E	94.4	Very high	94.9	Very high	116 Å²	116	74.5 Å²	74.5	54%	0.542	35%	0.351	S	S	.	.	H	α-helix	trans	-70.1	-50.8	-178	-172.8	-172.9	-161.1	0	0	112.9	Q393 A397	Q393-E401 PolarHBondContact NE2-OE2 2.88Å; Q393-E401 PolarHBondContact OE1-OE2 3.28Å; A397-E401 WeakPolarHBondContact O-CB 3.15Å; A397-E401 PolarHBondContact O-N 3.24Å
402	H	92	Very high	95.2	Very high	70 Å²	70	69.3 Å²	69.3	32%	0.324	33%	0.332	S	S	.	.	H	α-helix	trans	-93.5	-26.3	-169.2	-66.6	-83	0	0	0	113.9	Q393 Y398	Q393-H402 PolarHBondContact NE2-NE2 3.28Å; Y398-H402 HydrophobicContact CD2-CB 4.41Å; Y398-H402 AromaticContact CD2-CD2 3.3Å; Y398-H402 WeakPolarHBondContact CD2-CD2 3.45Å; Y398-H402 AromaticContact CD2-CG 3.9Å; Y398-H402 HydrophobicContact CE1-CB 4.45Å; Y398-H402 HydrophobicContact CE2-CB 4.06Å; Y398-H402 AromaticContact CE2-CD2 3.51Å; Y398-H402 AromaticContact CE2-CG 3.62Å; Y398-H402 WeakPolarHBondContact O-CB 3.43Å; Y398-H402 PolarHBondContact O-CD2 3.11Å; Y398-H402 PolarHBondContact O-N 3.14Å
403	H	91.6	Very high	95.4	Very high	38 Å²	38	60.6 Å²	60.6	18%	0.176	30%	0.295	C	S	.	.	H	α-helix	trans	-113.7	-6.5	-179.5	-63.7	-54.7	0	0	0	113.2	F360 Y398 F399 I405	F360-H403 HydrophobicContact CD2-CB 4.32Å; F360-H403 AromaticContact CD2-CG 3.89Å; F360-H403 AromaticContact CD2-ND1 3.77Å; Y398-H403 AromaticContact CE1-CD2 3.86Å; Y398-H403 AromaticContact CE1-NE2 3.67Å; F399-H403 HydrophobicContact CD1-CB 4.49Å; F399-H403 CarbonylContact O-C 3.56Å; F399-H403 WeakPolarHBondContact O-CA 3.14Å; F399-H403 WeakPolarHBondContact O-CB 3.39Å; F399-H403 PolarHBondContact O-N 3.3Å; F399-H403 VanDerWaalsContact O-N 3.13Å; H403-I405 HydrophobicContact CB-CD1 3.92Å; H403-I405 HydrophobicContact CB-CG1 4.06Å; H403-I405 PolarHBondContact O-N 2.87Å
404	H	93.4	Very high	95.4	Very high	149 Å²	149	59.2 Å²	59.2	69%	0.69	29%	0.288	S	S	*	.			trans	57.6	35	-174.1	-49.3	-52.1	0	0	0	112.7	F399 D400	F399-H404 PolarHBondContact O-N 2.68Å; F399-H404 VanDerWaalsContact O-N 3.09Å; D400-H404 WeakPolarHBondContact O-CA 3.4Å; D400-H404 PolarHBondContact O-N 3.29Å; D400-H404 VanDerWaalsContact O-N 3.16Å
405	I	95	Very high	95.4	Very high	32 Å²	32	58.3 Å²	58.3	16%	0.164	28%	0.282	C	S	.	.			trans	-114.7	104.7	-179.6	-60.3	173.2	0	0	0	108.9	F360 F399 D400 H403 L407	F360-I405 HydrophobicContact CB-CD1 3.89Å; F360-I405 HydrophobicContact CD1-CD1 3.82Å; F360-I405 HydrophobicContact CD2-CD1 4.18Å; F360-I405 HydrophobicContact CE1-CD1 4.38Å; F360-I405 HydrophobicContact CG-CD1 3.71Å; F399-I405 CarbonylContact C-O 3.33Å; F399-I405 HydrophobicContact CD1-CB 4.44Å; F399-I405 HydrophobicContact CD1-CD1 4.35Å; F399-I405 PolarHBondContact O-N 2.87Å; D400-I405 WeakPolarHBondContact CA-O 3.28Å; D400-I405 PolarHBondContact N-O 3.32Å; H403-I405 HydrophobicContact CB-CD1 3.92Å; H403-I405 HydrophobicContact CB-CG1 4.06Å; H403-I405 PolarHBondContact O-N 2.87Å; I405-L407 HydrophobicContact CG2-CD2 4.2Å; I405-L407 PolarHBondContact O-N 2.8Å
406	K	96.6	Very high	95.4	Very high	172 Å²	172	59.9 Å²	59.9	75%	0.748	29%	0.288	S	S	*	.			trans	-77.7	112.9	167.5	-172	172.7	-175.4	174	0	109.7
407	L	96.3	Very high	95.3	Very high	15 Å²	15	59.6 Å²	59.6	8%	0.079	29%	0.285	C	S	.	.			trans	-62.9	138.4	-178.2	-56.8	-178.4	0	0	0	111.4	A383 A396 F399 I405 P410 P426 E428 Q429	A383-L407 HydrophobicContact CB-CD1 3.84Å; A396-L407 HydrophobicContact CB-CD1 3.83Å; F399-L407 HydrophobicContact CB-CD2 4.17Å; F399-L407 HydrophobicContact CB-CG 4.48Å; F399-L407 HydrophobicContact CD1-CD2 4.4Å; F399-L407 HydrophobicContact CG-CD2 4.33Å; I405-L407 HydrophobicContact CG2-CD2 4.2Å; I405-L407 PolarHBondContact O-N 2.8Å; L407-P410 HydrophobicContact CB-CB 4.29Å; L407-P426 HydrophobicContact CD1-CB 3.96Å; L407-P426 HydrophobicContact CD1-CG 3.72Å; L407-P426 HydrophobicContact CD2-CB 3.98Å; L407-P426 HydrophobicContact CD2-CG 3.9Å; L407-P426 HydrophobicContact CG-CG 4.5Å; L407-E428 WeakPolarHBondContact CA-OE1 3.48Å; L407-E428 WeakPolarHBondContact CB-OE1 3.42Å; L407-E428 HydrophobicContact CD2-CG 4.44Å; L407-E428 WeakPolarHBondContact CD2-OE1 3.34Å; L407-Q429 HydrophobicContact CD2-CG 3.98Å
408	K	96.3	Very high	95.1	Very high	169 Å²	169	60.3 Å²	60.3	74%	0.735	28%	0.283	S	S	*	.	S	Bend	trans	-78.6	-34.7	177.3	-63.9	179	-178.5	173.7	0	111.6	P410 E428	K408-P410 WeakPolarHBondContact O-CD 3.37Å; K408-E428 WeakPolarHBondContact CA-OE2 3.2Å; K408-E428 WeakPolarHBondContact CB-OE2 3.23Å; K408-E428 PolarHBondContact N-OE1 2.92Å; K408-E428 PolarHBondContact N-OE2 3.21Å
409	Y	95.4	Very high	94.8	Very high	111 Å²	111	64.7 Å²	64.7	44%	0.435	31%	0.305	S	S	.	.			trans	-123.2	65.3	-178.3	-46.9	-70.3	0	0	0	111.1	D411 L412 E428	Y409-D411 PolarHBondContact O-N 2.81Å; Y409-L412 VanDerWaalsContact CB-CD1 3.46Å; Y409-L412 HydrophobicContact CD2-CD1 4.35Å; Y409-L412 HydrophobicContact CG-CD1 4.05Å; Y409-L412 WeakPolarHBondContact O-CB 3.45Å; Y409-L412 PolarHBondContact O-N 3.14Å; Y409-L412 VanDerWaalsContact O-N 3.17Å; Y409-E428 HydrophobicContact CD2-CB 4.18Å; Y409-E428 WeakPolarHBondContact CD2-OE2 3.2Å; Y409-E428 PolarHBondContact N-OE2 2.76Å
410	P	95.9	Very high	94.5	Very high	45 Å²	45	73.7 Å²	73.7	29%	0.292	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-15	-176.5	32.1	-38	0	0	0	113.2	A383 D384 A396 L407 K408 L412	A383-P410 WeakPolarHBondContact CB-O 3.26Å; A383-P410 PolarHBondContact N-O 3.49Å; A383-P410 VanDerWaalsContact N-O 3.12Å; D384-P410 HydrophobicContact CB-CB 4.21Å; D384-P410 PolarHBondContact N-O 2.82Å; A396-P410 HydrophobicContact CB-CB 4.32Å; L407-P410 HydrophobicContact CB-CB 4.29Å; K408-P410 WeakPolarHBondContact O-CD 3.37Å; P410-L412 VanDerWaalsContact C-N 3.31Å
411	D	94.3	Very high	94.2	Very high	88 Å²	88	78.5 Å²	78.5	47%	0.471	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-1.4	175.5	65.2	-44.3	0	0	0	113.7	P382 Y409	P382-D411 VanDerWaalsContact CB-C 3.46Å; P382-D411 VanDerWaalsContact CB-O 3.26Å; P382-D411 WeakPolarHBondContact CB-O 3.39Å; Y409-D411 PolarHBondContact O-N 2.81Å
412	L	95.6	Very high	94	Very high	18 Å²	18	78.8 Å²	78.8	9%	0.094	36%	0.358	C	S	.	.	S	Bend	trans	-84.5	148.6	174.1	-65.4	-176.1	0	0	0	112.3	A328 I339 P382 A383 Y409 P410	A328-L412 HydrophobicContact CB-CD1 4.21Å; I339-L412 HydrophobicContact CB-CD2 4.43Å; I339-L412 HydrophobicContact CD1-CD1 4.41Å; I339-L412 HydrophobicContact CD1-CD2 4.36Å; I339-L412 HydrophobicContact CG1-CD2 4.23Å; I339-L412 HydrophobicContact CG2-CD2 3.52Å; P382-L412 WeakPolarHBondContact CA-O 3.4Å; A383-L412 PolarHBondContact N-O 2.94Å; Y409-L412 VanDerWaalsContact CB-CD1 3.46Å; Y409-L412 HydrophobicContact CD2-CD1 4.35Å; Y409-L412 HydrophobicContact CG-CD1 4.05Å; Y409-L412 WeakPolarHBondContact O-CB 3.45Å; Y409-L412 PolarHBondContact O-N 3.14Å; Y409-L412 VanDerWaalsContact O-N 3.17Å; P410-L412 VanDerWaalsContact C-N 3.31Å
413	P	95.1	Very high	94.1	Very high	2 Å²	2	78 Å²	78	1%	0.013	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	151.3	169.8	27.4	-33.5	0	0	0	111.4	C342 I378 S379 M427	C342-P413 HydrophobicContact CB-CB 4.25Å; C342-P413 HydrophobicContact CB-CG 4.25Å; I378-P413 HydrophobicContact CG2-CB 3.64Å; I378-P413 HydrophobicContact CG2-CG 3.97Å; S379-P413 VanDerWaalsContact O-CB 3.27Å; S379-P413 WeakPolarHBondContact O-CB 3.47Å; P413-M427 HydrophobicContact CB-CE 4.31Å; P413-M427 HydrophobicContact CG-CE 3.74Å; P413-M427 HydrophobicContact CG-SD 4.46Å; P413-M427 WeakPolarHBondContact O-CE 3.27Å; P413-M427 WeakPolarHBondContact O-CG 3.42Å
414	C	96.3	Very high	94.2	Very high	0 Å²	0	78.5 Å²	78.5	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	162.6	174	-66.2	0	0	0	0	111.2	I378 S379 A383 L386 Y424 M425	I378-C414 CarbonylContact C-O 3.6Å; I378-C414 WeakPolarHBondContact CA-O 3.23Å; I378-C414 WeakPolarHBondContact CG2-O 3.07Å; S379-C414 PolarHBondContact N-O 3.45Å; S379-C414 PolarHBondContact OG-N 3.01Å; S379-C414 PolarHBondContact OG-O 3.17Å; A383-C414 VanDerWaalsContact CB-SG 3.5Å; L386-C414 HydrophobicContact CD2-CB 3.77Å; C414-Y424 HydrophobicContact CB-CD1 4.18Å; C414-Y424 HydrophobicContact CB-CG 4.41Å; C414-M425 CarbonylContact C-O 3.47Å; C414-M425 WeakPolarHBondContact CA-O 3.43Å
415	V	96.2	Very high	94.4	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129.1	179.5	-175.9	0	0	0	0	109.5	L327 V375 V417 Y424 M425 M427 L430	L327-V415 HydrophobicContact CD2-CG2 3.54Å; V375-V415 HydrophobicContact CB-CG1 3.92Å; V375-V415 HydrophobicContact CG1-CG1 3.38Å; V375-V415 HydrophobicContact CG2-CG1 3.52Å; V415-V417 HydrophobicContact CG1-CG1 4.39Å; V415-V417 PolarHBondContact O-N 2.92Å; V415-Y424 CarbonylContact O-C 3.37Å; V415-Y424 VanDerWaalsContact O-CA 3.29Å; V415-Y424 WeakPolarHBondContact O-CA 3.22Å; V415-M425 PolarHBondContact N-O 3.14Å; V415-M425 PolarHBondContact O-N 3.39Å; V415-M427 HydrophobicContact CG2-CB 4.49Å; V415-M427 HydrophobicContact CG2-CE 4.18Å; V415-M427 HydrophobicContact CG2-CG 3.5Å; V415-M427 VanDerWaalsContact CG2-CG 3.5Å; V415-L430 HydrophobicContact CB-CD1 3.85Å; V415-L430 HydrophobicContact CG1-CD1 4.31Å; V415-L430 HydrophobicContact CG2-CD1 3.86Å
416	K	95.9	Very high	94.5	Very high	37 Å²	37	71 Å²	71	16%	0.161	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	118.4	172.5	-167.2	-179.4	-173	169.3	0	109.3	H376 G377 D418 R421 E422 V423 Y424	H376-K416 PolarHBondContact N-O 3.18Å; G377-K416 PolarHBondContact N-O 3.07Å; G377-K416 PolarHBondContact O-N 3.31Å; K416-D418 WeakPolarHBondContact CE-O 3.32Å; K416-D418 WeakPolarHBondContact CG-O 3.11Å; K416-R421 WeakPolarHBondContact CE-O 3.45Å; K416-E422 WeakPolarHBondContact CE-OE1 3.2Å; K416-E422 IonicContact NZ-OE1 2.84Å; K416-E422 PolarHBondContact NZ-OE1 2.87Å; K416-E422 IonicContact NZ-OE2 3.1Å; K416-V423 WeakPolarHBondContact CA-O 3.41Å; K416-Y424 HydrophobicContact CB-CD1 4.07Å; K416-Y424 HydrophobicContact CB-CE1 3.71Å; K416-Y424 HydrophobicContact CG-CE1 4.11Å
417	V	95	Very high	94.4	Very high	11 Å²	11	62.9 Å²	62.9	7%	0.067	29%	0.289	C	S	.	.			trans	-107.3	-5.3	-173.5	-67.6	0	0	0	0	114.3	F373 V415 V423 M425	F373-V417 HydrophobicContact CB-CB 3.77Å; F373-V417 HydrophobicContact CB-CG1 3.7Å; F373-V417 HydrophobicContact CD1-CB 3.77Å; F373-V417 HydrophobicContact CD1-CG1 4.35Å; F373-V417 HydrophobicContact CD1-CG2 3.97Å; F373-V417 HydrophobicContact CD2-CG1 4.32Å; F373-V417 HydrophobicContact CE1-CG2 4.25Å; F373-V417 HydrophobicContact CG-CB 3.8Å; F373-V417 HydrophobicContact CG-CG1 3.88Å; F373-V417 HydrophobicContact CG-CG2 4.32Å; V415-V417 HydrophobicContact CG1-CG1 4.39Å; V415-V417 PolarHBondContact O-N 2.92Å; V417-V423 HydrophobicContact CG2-CB 4Å; V417-V423 HydrophobicContact CG2-CG1 3.57Å; V417-V423 WeakPolarHBondContact CG2-O 3.04Å; V417-V423 PolarHBondContact N-O 3.06Å; V417-M425 HydrophobicContact CB-CG 4.44Å; V417-M425 HydrophobicContact CG1-CB 4Å; V417-M425 HydrophobicContact CG1-CG 3.78Å; V417-M425 HydrophobicContact CG2-CG 3.81Å
418	D	92.9	Very high	94.4	Very high	55 Å²	55	62.9 Å²	62.9	29%	0.294	29%	0.288	S	S	.	.			trans	-122.5	143.4	173.1	-168.4	-71.4	0	0	0	110	K416 K420 R421 V423	K416-D418 WeakPolarHBondContact CE-O 3.32Å; K416-D418 WeakPolarHBondContact CG-O 3.11Å; D418-K420 PolarHBondContact OD1-N 2.95Å; D418-R421 HydrophobicContact CB-CB 4.15Å; D418-R421 PolarHBondContact OD1-N 2.81Å; D418-V423 HydrophobicContact CB-CB 3.97Å; D418-V423 HydrophobicContact CB-CG2 3.98Å
419	Q	88.8	Confident	94.4	Very high	145 Å²	145	55.8 Å²	55.8	68%	0.678	26%	0.258	S	S	*	.	S	Bend	trans	-77	-35.6	-178.1	-170.6	175.1	-0.3	0	0	112.8
420	K	90.7	Very high	94.5	Very high	193 Å²	193	50.5 Å²	50.5	84%	0.839	24%	0.237	S	C	*	.	S	Bend	trans	-101.7	-37.9	-172.6	-65.1	-177.1	179.4	-178	0	112	D418	D418-K420 PolarHBondContact OD1-N 2.95Å
421	R	90.1	Very high	94.6	Very high	183 Å²	183	50.7 Å²	50.7	69%	0.691	24%	0.235	S	C	*	.	S	Bend	trans	-95.2	150.9	-177.9	-60.7	179.5	-179.7	-174.6	-0.2	110.3	K416 D418 V423	K416-R421 WeakPolarHBondContact CE-O 3.45Å; D418-R421 HydrophobicContact CB-CB 4.15Å; D418-R421 PolarHBondContact OD1-N 2.81Å; R421-V423 HydrophobicContact CB-CG2 3.73Å; R421-V423 PolarHBondContact O-N 3.29Å
422	E	89.9	Confident	94.8	Very high	121 Å²	121	46.8 Å²	46.8	57%	0.565	21%	0.214	S	C	*	.			trans	-80.5	61.4	174.7	-65.7	-53.3	129.3	0	0	110.7	K416 Y424	K416-E422 WeakPolarHBondContact CE-OE1 3.2Å; K416-E422 IonicContact NZ-OE1 2.84Å; K416-E422 PolarHBondContact NZ-OE1 2.87Å; K416-E422 IonicContact NZ-OE2 3.1Å; E422-Y424 HydrophobicContact CB-CE2 3.93Å; E422-Y424 WeakPolarHBondContact O-CD2 3.46Å; E422-Y424 VanDerWaalsContact OE2-CE2 3.27Å; E422-Y424 WeakPolarHBondContact OE2-CE2 3.4Å; E422-Y424 VanDerWaalsContact OE2-CZ 3.25Å; E422-Y424 PolarHBondContact OE2-OH 2.93Å
423	V	94	Very high	94.6	Very high	53 Å²	53	47.4 Å²	47.4	32%	0.321	22%	0.218	S	C	.	.			trans	-98.7	119	178.8	-173.3	0	0	0	0	109.3	K416 V417 D418 R421	K416-V423 WeakPolarHBondContact CA-O 3.41Å; V417-V423 HydrophobicContact CG2-CB 4Å; V417-V423 HydrophobicContact CG2-CG1 3.57Å; V417-V423 WeakPolarHBondContact CG2-O 3.04Å; V417-V423 PolarHBondContact N-O 3.06Å; D418-V423 HydrophobicContact CB-CB 3.97Å; D418-V423 HydrophobicContact CB-CG2 3.98Å; R421-V423 HydrophobicContact CB-CG2 3.73Å; R421-V423 PolarHBondContact O-N 3.29Å
424	Y	95.4	Very high	94.5	Very high	50 Å²	50	50.6 Å²	50.6	20%	0.196	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144.4	-175.1	-69	-82.9	0	0	0	111.9	L386 C414 V415 K416 E422	L386-Y424 HydrophobicContact CD2-CD1 4.05Å; L386-Y424 HydrophobicContact CD2-CD2 4.03Å; L386-Y424 HydrophobicContact CD2-CG 3.69Å; C414-Y424 HydrophobicContact CB-CD1 4.18Å; C414-Y424 HydrophobicContact CB-CG 4.41Å; V415-Y424 CarbonylContact O-C 3.37Å; V415-Y424 VanDerWaalsContact O-CA 3.29Å; V415-Y424 WeakPolarHBondContact O-CA 3.22Å; K416-Y424 HydrophobicContact CB-CD1 4.07Å; K416-Y424 HydrophobicContact CB-CE1 3.71Å; K416-Y424 HydrophobicContact CG-CE1 4.11Å; E422-Y424 HydrophobicContact CB-CE2 3.93Å; E422-Y424 WeakPolarHBondContact O-CD2 3.46Å; E422-Y424 VanDerWaalsContact OE2-CE2 3.27Å; E422-Y424 WeakPolarHBondContact OE2-CE2 3.4Å; E422-Y424 VanDerWaalsContact OE2-CZ 3.25Å; E422-Y424 PolarHBondContact OE2-OH 2.93Å
425	M	96.4	Very high	94.2	Very high	19 Å²	19	52.6 Å²	52.6	9%	0.094	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.7	177.5	-71.5	-71.3	160.6	0	0	109.9	Y361 F373 F399 C414 V415 V417 M427 L430	Y361-M425 WeakPolarHBondContact OH-CE 3.44Å; F373-M425 HydrophobicContact CE2-CE 4.32Å; F373-M425 HydrophobicContact CE2-CG 4.43Å; F373-M425 HydrophobicContact CZ-CE 4.02Å; F399-M425 HydrophobicContact CE2-SD 4.38Å; F399-M425 HydrophobicContact CZ-SD 3.72Å; C414-M425 CarbonylContact C-O 3.47Å; C414-M425 WeakPolarHBondContact CA-O 3.43Å; V415-M425 PolarHBondContact N-O 3.14Å; V415-M425 PolarHBondContact O-N 3.39Å; V417-M425 HydrophobicContact CB-CG 4.44Å; V417-M425 HydrophobicContact CG1-CB 4Å; V417-M425 HydrophobicContact CG1-CG 3.78Å; V417-M425 HydrophobicContact CG2-CG 3.81Å; M425-M427 PolarHBondContact O-N 2.87Å; M425-L430 HydrophobicContact CB-CD1 3.86Å; M425-L430 HydrophobicContact CB-CD2 4.23Å; M425-L430 HydrophobicContact CB-CG 4.24Å
426	P	97	Very high	94	Very high	4 Å²	4	54 Å²	54	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	136.5	174.5	-23.3	33.5	0	0	0	111.6	V395 F399 L407 E428 Q429	V395-P426 HydrophobicContact CG1-CG 3.79Å; F399-P426 HydrophobicContact CD2-CG 3.91Å; F399-P426 HydrophobicContact CE1-CG 4.41Å; F399-P426 HydrophobicContact CE2-CG 3.79Å; F399-P426 HydrophobicContact CG-CG 4.29Å; F399-P426 HydrophobicContact CZ-CG 4.05Å; L407-P426 HydrophobicContact CD1-CB 3.96Å; L407-P426 HydrophobicContact CD1-CG 3.72Å; L407-P426 HydrophobicContact CD2-CB 3.98Å; L407-P426 HydrophobicContact CD2-CG 3.9Å; L407-P426 HydrophobicContact CG-CG 4.5Å; P426-E428 VanDerWaalsContact C-N 3.27Å; P426-E428 HydrophobicContact CB-CG 4.29Å; P426-E428 PolarHBondContact O-N 3.22Å; P426-Q429 HydrophobicContact CB-CG 4.07Å; P426-Q429 HydrophobicContact CG-CG 4.38Å; P426-Q429 PolarHBondContact O-N 2.92Å; P426-Q429 VanDerWaalsContact O-N 3.1Å
427	M	94.7	Very high	93.8	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-57.4	-39.9	-177.4	-74.6	-179.1	-174.3	0	0	112.7	L327 A328 I339 M346 I378 P413 V415 M425 Q429 L430	L327-M427 WeakPolarHBondContact CB-O 3.33Å; L327-M427 HydrophobicContact CD2-CB 4.47Å; L327-M427 HydrophobicContact CD2-CG 4.27Å; L327-M427 HydrophobicContact CG-CB 4.38Å; L327-M427 HydrophobicContact CG-CG 4.4Å; A328-M427 HydrophobicContact CB-CB 4.08Å; I339-M427 HydrophobicContact CD1-SD 4.3Å; M346-M427 HydrophobicContact SD-CE 4.15Å; I378-M427 HydrophobicContact CD1-CE 4.11Å; I378-M427 HydrophobicContact CG1-CE 4.32Å; I378-M427 HydrophobicContact CG2-CE 3.65Å; P413-M427 HydrophobicContact CB-CE 4.31Å; P413-M427 HydrophobicContact CG-CE 3.74Å; P413-M427 HydrophobicContact CG-SD 4.46Å; P413-M427 WeakPolarHBondContact O-CE 3.27Å; P413-M427 WeakPolarHBondContact O-CG 3.42Å; V415-M427 HydrophobicContact CG2-CB 4.49Å; V415-M427 HydrophobicContact CG2-CE 4.18Å; V415-M427 HydrophobicContact CG2-CG 3.5Å; V415-M427 VanDerWaalsContact CG2-CG 3.5Å; M425-M427 PolarHBondContact O-N 2.87Å; M427-Q429 PolarHBondContact O-N 2.78Å; M427-L430 PolarHBondContact O-N 2.87Å
428	E	96.3	Very high	93.8	Very high	15 Å²	15	56.8 Å²	56.8	7%	0.07	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-66.9	-15.4	-178.7	56.5	164.4	-131.2	0	0	114.1	N326 A328 L407 K408 Y409 P426 L430	N326-E428 PolarHBondContact ND2-O 3.45Å; A328-E428 HydrophobicContact CB-CB 4.09Å; L407-E428 WeakPolarHBondContact CA-OE1 3.48Å; L407-E428 WeakPolarHBondContact CB-OE1 3.42Å; L407-E428 HydrophobicContact CD2-CG 4.44Å; L407-E428 WeakPolarHBondContact CD2-OE1 3.34Å; K408-E428 WeakPolarHBondContact CA-OE2 3.2Å; K408-E428 WeakPolarHBondContact CB-OE2 3.23Å; K408-E428 PolarHBondContact N-OE1 2.92Å; K408-E428 PolarHBondContact N-OE2 3.21Å; Y409-E428 HydrophobicContact CD2-CB 4.18Å; Y409-E428 WeakPolarHBondContact CD2-OE2 3.2Å; Y409-E428 PolarHBondContact N-OE2 2.76Å; P426-E428 VanDerWaalsContact C-N 3.27Å; P426-E428 HydrophobicContact CB-CG 4.29Å; P426-E428 PolarHBondContact O-N 3.22Å; E428-L430 VanDerWaalsContact C-N 3.35Å
429	Q	96.8	Very high	93.8	Very high	20 Å²	20	57 Å²	57	9%	0.093	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-95.5	10	178.7	-57.6	-56.3	-45.9	0	0	112.5	T357 F360 F399 L407 P426 M427	T357-Q429 WeakPolarHBondContact CA-O 3.36Å; F360-Q429 HydrophobicContact CE1-CB 4.38Å; F399-Q429 HydrophobicContact CD1-CG 4.26Å; F399-Q429 HydrophobicContact CE1-CB 4.35Å; F399-Q429 HydrophobicContact CE1-CG 4.01Å; L407-Q429 HydrophobicContact CD2-CG 3.98Å; P426-Q429 HydrophobicContact CB-CG 4.07Å; P426-Q429 HydrophobicContact CG-CG 4.38Å; P426-Q429 PolarHBondContact O-N 2.92Å; P426-Q429 VanDerWaalsContact O-N 3.1Å; M427-Q429 PolarHBondContact O-N 2.78Å
430	L	97.9	Very high	94	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	129.7	-175.3	-65.2	173.1	0	0	0	110.9	L327 V355 T357 F373 V415 M425 M427 E428	L327-L430 HydrophobicContact CB-CB 4.07Å; L327-L430 VanDerWaalsContact CB-O 3.22Å; L327-L430 WeakPolarHBondContact CB-O 3.45Å; L327-L430 HydrophobicContact CD2-CB 3.99Å; L327-L430 HydrophobicContact CD2-CD1 3.84Å; L327-L430 PolarHBondContact N-O 3.24Å; V355-L430 HydrophobicContact CB-CB 4.21Å; V355-L430 HydrophobicContact CB-CD2 4.31Å; V355-L430 HydrophobicContact CG2-CB 4.46Å; V355-L430 HydrophobicContact CG2-CD1 4.19Å; V355-L430 HydrophobicContact CG2-CD2 3.84Å; V355-L430 HydrophobicContact CG2-CG 4.4Å; T357-L430 HydrophobicContact CG2-CD2 3.8Å; F373-L430 HydrophobicContact CD2-CD2 4.28Å; V415-L430 HydrophobicContact CB-CD1 3.85Å; V415-L430 HydrophobicContact CG1-CD1 4.31Å; V415-L430 HydrophobicContact CG2-CD1 3.86Å; M425-L430 HydrophobicContact CB-CD1 3.86Å; M425-L430 HydrophobicContact CB-CD2 4.23Å; M425-L430 HydrophobicContact CB-CG 4.24Å; M427-L430 PolarHBondContact O-N 2.87Å; E428-L430 VanDerWaalsContact C-N 3.35Å
431	N	97.8	Very high	94	Very high	49 Å²	49	44.9 Å²	44.9	26%	0.262	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	128	171.9	-66.9	-68.2	0	0	0	110.2	G325 N326 V355 E356 D358 L433	G325-N431 CarbonylContact O-C 3.6Å; G325-N431 WeakPolarHBondContact O-CA 3.42Å; N326-N431 WeakPolarHBondContact CA-OD1 3.31Å; V355-N431 CarbonylContact C-O 3.57Å; V355-N431 WeakPolarHBondContact CA-O 3.43Å; E356-N431 PolarHBondContact N-O 3.22Å; E356-N431 PolarHBondContact O-N 3.43Å; D358-N431 PolarHBondContact OD1-ND2 2.93Å; N431-L433 PolarHBondContact O-N 3.18Å
432	I	97.2	Very high	93.9	Very high	5 Å²	5	42 Å²	42	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	124.5	175.2	-61.2	153.4	0	0	0	109.2	F322 R323 G325 L327 V330 I353 V355	F322-I432 HydrophobicContact CD1-CD1 4.46Å; F322-I432 HydrophobicContact CD1-CG2 3.82Å; F322-I432 HydrophobicContact CE1-CD1 3.88Å; F322-I432 HydrophobicContact CE1-CG2 4.23Å; R323-I432 WeakPolarHBondContact O-CD1 3.4Å; R323-I432 VanDerWaalsContact O-CG2 3.28Å; R323-I432 WeakPolarHBondContact O-CG2 3.45Å; G325-I432 PolarHBondContact N-O 3.42Å; G325-I432 PolarHBondContact O-N 3.32Å; L327-I432 HydrophobicContact CB-CD1 4.35Å; L327-I432 HydrophobicContact CB-CG1 4.22Å; L327-I432 HydrophobicContact CD1-CD1 3.68Å; L327-I432 HydrophobicContact CD1-CG1 3.87Å; V330-I432 HydrophobicContact CB-CD1 3.78Å; V330-I432 HydrophobicContact CG1-CD1 3.67Å; V330-I432 HydrophobicContact CG2-CD1 3.94Å; I353-I432 HydrophobicContact CG2-CG1 4.37Å; I353-I432 HydrophobicContact CG2-CG2 3.74Å; V355-I432 HydrophobicContact CG1-CG1 4.16Å
433	L	93.3	Very high	93.9	Very high	32 Å²	32	39.6 Å²	39.6	17%	0.168	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-63.2	140.6	176.8	-65.9	178.4	0	0	0	110.8	R354 E356 R372 N431 Q436	R354-L433 HydrophobicContact CB-CD1 3.82Å; R354-L433 HydrophobicContact CB-CG 4.49Å; R354-L433 PolarHBondContact O-N 2.83Å; E356-L433 HydrophobicContact CB-CD2 3.86Å; E356-L433 HydrophobicContact CB-CG 4.49Å; E356-L433 WeakPolarHBondContact OE2-CD2 3.39Å; R372-L433 HydrophobicContact CG-CD1 4.24Å; N431-L433 PolarHBondContact O-N 3.18Å; L433-Q436 WeakPolarHBondContact O-CG 3.4Å; L433-Q436 PolarHBondContact O-NE2 2.97Å
434	P	91.6	Very high	93.7	Very high	68 Å²	68	39.8 Å²	39.8	44%	0.442	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	163.1	-179.3	31.2	-36.4	0	0	0	112.3	A324 Q436	A324-P434 HydrophobicContact CB-CB 3.83Å; P434-Q436 VanDerWaalsContact C-N 3.28Å; P434-Q436 PolarHBondContact O-N 2.81Å
435	F	90.1	Very high	93.7	Very high	43 Å²	43	38.5 Å²	38.5	19%	0.189	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	26	170.5	-45.4	-60.1	0	0	0	116.5	I273 L275 D283 F321	I273-F435 HydrophobicContact CD1-CE2 3.77Å; I273-F435 HydrophobicContact CD1-CZ 3.59Å; I273-F435 HydrophobicContact CG2-CE2 4.21Å; L275-F435 HydrophobicContact CD1-CB 3.88Å; L275-F435 HydrophobicContact CD1-CD1 3.31Å; L275-F435 HydrophobicContact CD1-CD2 4.17Å; L275-F435 HydrophobicContact CD1-CE1 3.85Å; L275-F435 HydrophobicContact CD1-CG 3.5Å; L275-F435 VanDerWaalsContact CD1-CG 3.5Å; L275-F435 HydrophobicContact CD1-CZ 4.48Å; L275-F435 HydrophobicContact CD2-CB 3.72Å; L275-F435 HydrophobicContact CD2-CD1 4.31Å; L275-F435 HydrophobicContact CD2-CD2 3.67Å; L275-F435 HydrophobicContact CD2-CE2 4.39Å; L275-F435 HydrophobicContact CD2-CG 3.61Å; L275-F435 HydrophobicContact CG-CB 4.45Å; L275-F435 HydrophobicContact CG-CD1 4.44Å; L275-F435 HydrophobicContact CG-CG 4.22Å; D283-F435 WeakPolarHBondContact OD1-CZ 3.41Å; F321-F435 HydrophobicContact CD1-CB 3.89Å; F321-F435 HydrophobicContact CD1-CD1 4.41Å; F321-F435 VanDerWaalsContact CD1-O 3.31Å; F321-F435 WeakPolarHBondContact CD1-O 3.24Å; F321-F435 AromaticContact CD2-CD1 3.88Å; F321-F435 HydrophobicContact CD2-CD1 3.88Å; F321-F435 HydrophobicContact CE1-CB 3.93Å; F321-F435 HydrophobicContact CE1-CD1 4.44Å; F321-F435 AromaticContact CE2-CD1 3.94Å; F321-F435 HydrophobicContact CE2-CD1 3.94Å; F321-F435 HydrophobicContact CG-CB 4.32Å; F321-F435 HydrophobicContact CG-CD1 4.11Å; F321-F435 HydrophobicContact CZ-CB 4.44Å; F321-F435 HydrophobicContact CZ-CD1 4.21Å
436	Q	92.5	Very high	93.6	Very high	28 Å²	28	39 Å²	39	13%	0.131	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-79.4	155.4	172.5	-64.1	-174.2	77.6	0	0	111.7	F321 F322 R354 L433 P434	F321-Q436 CarbonylContact C-O 3.57Å; F321-Q436 WeakPolarHBondContact CA-O 3.32Å; F322-Q436 HydrophobicContact CB-CB 4.12Å; F322-Q436 PolarHBondContact N-O 2.94Å; R354-Q436 VanDerWaalsContact CB-OE1 3.32Å; R354-Q436 PolarHBondContact O-NE2 3.43Å; L433-Q436 WeakPolarHBondContact O-CG 3.4Å; L433-Q436 PolarHBondContact O-NE2 2.97Å; P434-Q436 VanDerWaalsContact C-N 3.28Å; P434-Q436 PolarHBondContact O-N 2.81Å
437	A	92	Very high	93.4	Very high	78 Å²	78	40.9 Å²	40.9	65%	0.645	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-67.1	139.2	174.8	0	0	0	0	0	110.4
438	P	94.4	Very high	93.4	Very high	30 Å²	30	41.5 Å²	41.5	20%	0.195	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-70.5	145.1	178.2	29.8	-35.4	0	0	0	111.7	F294 A320 A440 V445	F294-P438 HydrophobicContact CB-CB 3.79Å; F294-P438 HydrophobicContact CG-CB 4.4Å; A320-P438 HydrophobicContact CB-CG 4.27Å; P438-A440 VanDerWaalsContact C-N 3.32Å; P438-V445 HydrophobicContact CB-CG2 4.23Å; P438-V445 HydrophobicContact CG-CG1 4.43Å; P438-V445 HydrophobicContact CG-CG2 3.74Å
439	N	94.1	Very high	93.3	Very high	58 Å²	58	41.6 Å²	41.6	31%	0.31	26%	0.256	S	S	.	.			trans	-85.2	-5.7	172.2	-77.5	-18.6	0	0	0	113.2	F322 D349 R351	F322-N439 HydrophobicContact CE2-CB 4.44Å; D349-N439 PolarHBondContact O-ND2 3.02Å; R351-N439 PolarHBondContact O-ND2 3.46Å
440	A	91.8	Very high	93.1	Very high	27 Å²	27	44.4 Å²	44.4	22%	0.223	27%	0.27	C	S	.	.	S	Bend	trans	-62.7	159.7	173.7	0	0	0	0	0	112	K292 F294 P438 V445	K292-A440 HydrophobicContact CB-CB 4.3Å; F294-A440 HydrophobicContact CD1-CB 3.76Å; F294-A440 HydrophobicContact CE1-CB 3.95Å; P438-A440 VanDerWaalsContact C-N 3.32Å; A440-V445 HydrophobicContact CB-CG2 4.02Å
441	S	90.3	Very high	92.9	Very high	58 Å²	58	51.6 Å²	51.6	41%	0.406	30%	0.298	S	S	.	.			trans	-60.2	143	178.7	86.8	0	0	0	0	111.1	A443 D444 V445	S441-A443 PolarHBondContact O-N 2.93Å; S441-D444 PolarHBondContact O-N 2.98Å; S441-D444 VanDerWaalsContact O-N 3.12Å; S441-D444 WeakPolarHBondContact OG-CB 3.31Å; S441-D444 PolarHBondContact OG-N 2.75Å; S441-D444 VanDerWaalsContact OG-N 3.1Å; S441-D444 PolarHBondContact OG-OD2 2.96Å; S441-V445 WeakPolarHBondContact O-CG2 3.18Å; S441-V445 PolarHBondContact O-N 2.78Å
442	K	89	Confident	92.7	Very high	121 Å²	121	50.3 Å²	50.3	53%	0.526	29%	0.292	S	S	.	.	H	α-helix	trans	-56.9	-34.7	177.7	-67.4	-177.7	-179.2	177.3	0	112.1	A446	K442-A446 VanDerWaalsContact O-CB 3.23Å; K442-A446 WeakPolarHBondContact O-CB 3.38Å; K442-A446 PolarHBondContact O-N 3.49Å
443	A	88.4	Confident	92.6	Very high	72 Å²	72	51.5 Å²	51.5	60%	0.595	30%	0.303	S	S	*	.	H	α-helix	trans	-66.8	-42.6	178.3	0	0	0	0	0	112.2	S441 A446 S447	S441-A443 PolarHBondContact O-N 2.93Å; A443-A446 PolarHBondContact O-N 2.97Å; A443-S447 WeakPolarHBondContact O-CB 3.45Å; A443-S447 PolarHBondContact O-N 2.67Å
444	D	91.5	Very high	92.6	Very high	56 Å²	56	51.7 Å²	51.7	30%	0.299	31%	0.309	S	S	.	.	H	α-helix	trans	-64.6	-46.9	176.6	-73.2	-51	0	0	0	111.8	K292 S441 S447 E448	K292-D444 HydrophobicContact CD-CB 3.84Å; K292-D444 VanDerWaalsContact NZ-CG 3.31Å; K292-D444 IonicContact NZ-OD1 2.79Å; K292-D444 PolarHBondContact NZ-OD1 2.86Å; S441-D444 PolarHBondContact O-N 2.98Å; S441-D444 VanDerWaalsContact O-N 3.12Å; S441-D444 WeakPolarHBondContact OG-CB 3.31Å; S441-D444 PolarHBondContact OG-N 2.75Å; S441-D444 VanDerWaalsContact OG-N 3.1Å; S441-D444 PolarHBondContact OG-OD2 2.96Å; D444-S447 PolarHBondContact O-N 2.56Å; D444-E448 PolarHBondContact O-N 3.17Å; D444-E448 VanDerWaalsContact O-N 3.08Å
445	V	94.7	Very high	92.8	Very high	24 Å²	24	49.4 Å²	49.4	15%	0.145	29%	0.294	C	S	.	.	H	α-helix	trans	-59	-49.4	177.2	172.3	0	0	0	0	110.2	F294 A320 P438 A440 S441 S447 E448 V449	F294-V445 HydrophobicContact CD1-CG2 4.3Å; F294-V445 HydrophobicContact CE1-CG2 4.13Å; F294-V445 HydrophobicContact CZ-CG2 4.36Å; A320-V445 HydrophobicContact CB-CG1 3.54Å; P438-V445 HydrophobicContact CB-CG2 4.23Å; P438-V445 HydrophobicContact CG-CG1 4.43Å; P438-V445 HydrophobicContact CG-CG2 3.74Å; A440-V445 HydrophobicContact CB-CG2 4.02Å; S441-V445 WeakPolarHBondContact O-CG2 3.18Å; S441-V445 PolarHBondContact O-N 2.78Å; V445-S447 PolarHBondContact O-N 2.87Å; V445-E448 PolarHBondContact O-N 3.3Å; V445-V449 HydrophobicContact CG1-CG2 4.24Å; V445-V449 WeakPolarHBondContact O-CB 3.22Å; V445-V449 VanDerWaalsContact O-CG2 3.22Å; V445-V449 WeakPolarHBondContact O-CG2 3.1Å; V445-V449 PolarHBondContact O-N 2.81Å
446	A	93.4	Very high	93	Very high	29 Å²	29	53.5 Å²	53.5	24%	0.24	31%	0.308	C	S	.	.	H	α-helix	trans	-59.6	-44.8	178.6	0	0	0	0	0	112	K442 A443 E448 V449 I450	K442-A446 VanDerWaalsContact O-CB 3.23Å; K442-A446 WeakPolarHBondContact O-CB 3.38Å; K442-A446 PolarHBondContact O-N 3.49Å; A443-A446 PolarHBondContact O-N 2.97Å; A446-E448 PolarHBondContact O-N 2.89Å; A446-V449 PolarHBondContact O-N 2.92Å; A446-I450 WeakPolarHBondContact O-CB 3.4Å; A446-I450 WeakPolarHBondContact O-CD1 3.26Å; A446-I450 WeakPolarHBondContact O-CG1 3.22Å; A446-I450 PolarHBondContact O-N 3.5Å
447	S	92.8	Very high	93.2	Very high	44 Å²	44	52.2 Å²	52.2	31%	0.308	30%	0.302	S	S	.	.	H	α-helix	trans	-58.8	-48.6	178.9	170.7	0	0	0	0	112.2	A443 D444 V445 I450 R451	A443-S447 WeakPolarHBondContact O-CB 3.45Å; A443-S447 PolarHBondContact O-N 2.67Å; D444-S447 PolarHBondContact O-N 2.56Å; V445-S447 PolarHBondContact O-N 2.87Å; S447-I450 PolarHBondContact O-N 3.05Å; S447-R451 WeakPolarHBondContact O-CG 3.37Å; S447-R451 PolarHBondContact O-N 3.02Å; S447-R451 PolarHBondContact OG-NH2 3.25Å
448	E	95.6	Very high	93.3	Very high	15 Å²	15	50.6 Å²	50.6	7%	0.07	28%	0.281	C	S	.	.	H	α-helix	trans	-71.3	-37.7	-179.3	-66.4	-58.6	138.6	0	0	112.2	K287 I289 F294 I296 D444 V445 A446 I450 R451 C452	K287-E448 IonicContact NZ-OE2 2.84Å; K287-E448 PolarHBondContact NZ-OE2 3.21Å; I289-E448 HydrophobicContact CG1-CB 4.45Å; I289-E448 HydrophobicContact CG1-CG 4.23Å; F294-E448 HydrophobicContact CE2-CB 4.03Å; F294-E448 HydrophobicContact CE2-CG 4.45Å; F294-E448 HydrophobicContact CZ-CB 3.97Å; F294-E448 HydrophobicContact CZ-CG 3.96Å; I296-E448 VanDerWaalsContact CD1-C 3.49Å; I296-E448 HydrophobicContact CD1-CB 3.72Å; D444-E448 PolarHBondContact O-N 3.17Å; D444-E448 VanDerWaalsContact O-N 3.08Å; V445-E448 PolarHBondContact O-N 3.3Å; A446-E448 PolarHBondContact O-N 2.89Å; E448-I450 PolarHBondContact O-N 3.31Å; E448-R451 PolarHBondContact O-N 2.56Å; E448-R451 IonicContact OE1-CZ 2.79Å; E448-R451 VanDerWaalsContact OE1-CZ 3.24Å; E448-R451 IonicContact OE1-NE 2.8Å; E448-R451 IonicContact OE1-NH1 3.01Å; E448-R451 PolarHBondContact OE1-NH1 2.94Å; E448-R451 IonicContact OE1-NH2 3.54Å; E448-R451 IonicContact OE2-NH1 3.7Å; E448-C452 PolarHBondContact O-N 2.93Å; E448-C452 VanDerWaalsContact O-N 3.08Å
449	V	95.2	Very high	93.4	Very high	16 Å²	16	53.4 Å²	53.4	10%	0.097	29%	0.292	C	S	.	.	H	α-helix	trans	-62	-42.9	174.3	169.8	0	0	0	0	111.3	I296 A320 V445 A446 R451 C452 A453	I296-V449 HydrophobicContact CD1-CG2 4.03Å; I296-V449 HydrophobicContact CG1-CG2 4.17Å; I296-V449 HydrophobicContact CG2-CG2 4.49Å; A320-V449 HydrophobicContact CB-CG2 4.12Å; V445-V449 HydrophobicContact CG1-CG2 4.24Å; V445-V449 WeakPolarHBondContact O-CB 3.22Å; V445-V449 VanDerWaalsContact O-CG2 3.22Å; V445-V449 WeakPolarHBondContact O-CG2 3.1Å; V445-V449 PolarHBondContact O-N 2.81Å; A446-V449 PolarHBondContact O-N 2.92Å; V449-R451 VanDerWaalsContact C-N 3.31Å; V449-R451 PolarHBondContact O-N 3.2Å; V449-C452 PolarHBondContact O-N 2.88Å; V449-A453 VanDerWaalsContact O-CB 3.28Å; V449-A453 WeakPolarHBondContact O-CB 3.34Å; V449-A453 PolarHBondContact O-N 3.26Å
450	I	92.5	Very high	93.5	Very high	79 Å²	79	51.3 Å²	51.3	41%	0.405	28%	0.279	S	S	.	.	H	α-helix	trans	-59.8	-42.7	176.7	-73.1	165.2	0	0	0	110.8	A446 S447 E448 C452 A453 A454	A446-I450 WeakPolarHBondContact O-CB 3.4Å; A446-I450 WeakPolarHBondContact O-CD1 3.26Å; A446-I450 WeakPolarHBondContact O-CG1 3.22Å; A446-I450 PolarHBondContact O-N 3.5Å; S447-I450 PolarHBondContact O-N 3.05Å; E448-I450 PolarHBondContact O-N 3.31Å; I450-C452 PolarHBondContact O-N 3.08Å; I450-A453 PolarHBondContact O-N 3.08Å; I450-A454 WeakPolarHBondContact O-CB 3.45Å; I450-A454 PolarHBondContact O-N 3.07Å
451	R	93	Very high	93.8	Very high	152 Å²	152	50.2 Å²	50.2	57%	0.574	27%	0.27	S	S	*	.	H	α-helix	trans	-62.6	-42.3	177	-69.8	-178.8	-160.6	158.8	12.3	112.2	S447 E448 V449	S447-R451 WeakPolarHBondContact O-CG 3.37Å; S447-R451 PolarHBondContact O-N 3.02Å; S447-R451 PolarHBondContact OG-NH2 3.25Å; E448-R451 PolarHBondContact O-N 2.56Å; E448-R451 IonicContact OE1-CZ 2.79Å; E448-R451 VanDerWaalsContact OE1-CZ 3.24Å; E448-R451 IonicContact OE1-NE 2.8Å; E448-R451 IonicContact OE1-NH1 3.01Å; E448-R451 PolarHBondContact OE1-NH1 2.94Å; E448-R451 IonicContact OE1-NH2 3.54Å; E448-R451 IonicContact OE2-NH1 3.7Å; V449-R451 VanDerWaalsContact C-N 3.31Å; V449-R451 PolarHBondContact O-N 3.2Å
452	C	94	Very high	94	Very high	21 Å²	21	54.9 Å²	54.9	14%	0.142	28%	0.278	C	S	.	.	H	α-helix	trans	-68.5	-33.6	175.9	-70.9	0	0	0	0	112.8	I296 Y318 E448 V449 I450	I296-C452 HydrophobicContact CD1-CB 4.44Å; I296-C452 HydrophobicContact CG2-CB 4.13Å; Y318-C452 HydrophobicContact CD1-CB 3.9Å; Y318-C452 HydrophobicContact CE1-CB 4.05Å; Y318-C452 WeakPolarHBondContact CE1-O 3.31Å; Y318-C452 PolarHBondContact OH-O 3.2Å; E448-C452 PolarHBondContact O-N 2.93Å; E448-C452 VanDerWaalsContact O-N 3.08Å; V449-C452 PolarHBondContact O-N 2.88Å; I450-C452 PolarHBondContact O-N 3.08Å
453	A	93.7	Very high	94.3	Very high	30 Å²	30	51.4 Å²	51.4	25%	0.248	26%	0.264	C	S	.	.	H	α-helix	trans	-82.8	-9.7	-178.8	0	0	0	0	0	114.2	Y318 V449 I450 V455 R460	Y318-A453 HydrophobicContact CD2-CB 3.59Å; Y318-A453 HydrophobicContact CE2-CB 3.92Å; Y318-A453 HydrophobicContact CG-CB 4.22Å; V449-A453 VanDerWaalsContact O-CB 3.28Å; V449-A453 WeakPolarHBondContact O-CB 3.34Å; V449-A453 PolarHBondContact O-N 3.26Å; I450-A453 PolarHBondContact O-N 3.08Å; A453-V455 PolarHBondContact O-N 3.04Å; A453-R460 PolarHBondContact O-NH2 2.69Å
454	A	93.7	Very high	94.7	Very high	37 Å²	37	48 Å²	48	31%	0.306	24%	0.236	S	C	.	.			trans	-73.8	50.5	179.7	0	0	0	0	0	112.9	I450 Q835	I450-A454 WeakPolarHBondContact O-CB 3.45Å; I450-A454 PolarHBondContact O-N 3.07Å; A454-Q835 HydrophobicContact CB-CB 4.42Å
455	V	95	Very high	94.8	Very high	20 Å²	20	46.5 Å²	46.5	12%	0.121	23%	0.229	C	C	.	.			trans	-87.5	132	179.9	-175.5	0	0	0	0	110.3	Y318 A453 E459 R460 G836 T837	Y318-V455 WeakPolarHBondContact OH-CG2 3.46Å; A453-V455 PolarHBondContact O-N 3.04Å; V455-E459 HydrophobicContact CG1-CB 3.52Å; V455-R460 HydrophobicContact CG1-CB 4.08Å; V455-G836 CarbonylContact O-C 3.54Å; V455-G836 VanDerWaalsContact O-C 3.29Å; V455-G836 VanDerWaalsContact O-CA 3.28Å; V455-G836 WeakPolarHBondContact O-CA 3.46Å; V455-T837 PolarHBondContact O-N 3.49Å; V455-T837 PolarHBondContact O-OG1 2.92Å
456	R	95.2	Very high	94.7	Very high	129 Å²	129	49.2 Å²	49.2	49%	0.487	24%	0.242	S	C	.	.			trans	-65.6	155.5	179.3	-71.6	-172.7	176.3	111.6	-1.4	111.7	Q458 E459 R460	R456-Q458 VanDerWaalsContact C-N 3.33Å; R456-Q458 PolarHBondContact O-N 2.72Å; R456-E459 PolarHBondContact O-N 3.18Å; R456-R460 WeakPolarHBondContact O-CB 3.19Å; R456-R460 PolarHBondContact O-N 3.5Å
457	P	96.4	Very high	94.5	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-54.6	-43.3	-178.2	-24.7	32.6	0	0	0	113.8	E459 R460 F461 K799 R806 T837	P457-E459 PolarHBondContact O-N 2.92Å; P457-R460 PolarHBondContact O-N 3.49Å; P457-F461 WeakPolarHBondContact O-CB 3Å; P457-F461 WeakPolarHBondContact O-CD2 3.09Å; P457-F461 PolarHBondContact O-N 3.16Å; P457-K799 HydrophobicContact CB-CB 4.06Å; P457-K799 HydrophobicContact CB-CG 3.91Å; P457-R806 WeakPolarHBondContact CD-O 3.45Å; P457-T837 WeakPolarHBondContact CA-OG1 2.86Å; P457-T837 HydrophobicContact CB-CG2 4.36Å; P457-T837 HydrophobicContact CG-CG2 4.07Å
458	Q	95.5	Very high	94.4	Very high	45 Å²	45	46.2 Å²	46.2	21%	0.21	22%	0.219	C	C	.	.	H	α-helix	trans	-62.3	-46.2	-179.6	-67.5	77	8.5	0	0	112	R456 R462 A805	R456-Q458 VanDerWaalsContact C-N 3.33Å; R456-Q458 PolarHBondContact O-N 2.72Å; Q458-R462 WeakPolarHBondContact O-CB 3.42Å; Q458-R462 PolarHBondContact O-N 2.8Å; Q458-A805 PolarHBondContact NE2-O 3.32Å
459	E	95.4	Very high	94	Very high	88 Å²	88	49.9 Å²	49.9	41%	0.411	24%	0.239	S	C	.	.	H	α-helix	trans	-67.3	-45.1	177.3	-69.6	166.5	-162.1	0	0	111	V455 R456 P457 F461 R462 E463	V455-E459 HydrophobicContact CG1-CB 3.52Å; R456-E459 PolarHBondContact O-N 3.18Å; P457-E459 PolarHBondContact O-N 2.92Å; E459-F461 PolarHBondContact O-N 3.22Å; E459-R462 WeakPolarHBondContact O-CB 3.48Å; E459-R462 PolarHBondContact O-N 3.01Å; E459-E463 WeakPolarHBondContact O-CG 3.45Å; E459-E463 PolarHBondContact O-N 2.9Å
460	R	96.8	Very high	93.3	Very high	14 Å²	14	52.4 Å²	52.4	5%	0.053	26%	0.255	C	S	.	.	H	α-helix	trans	-56.5	-50.3	177.6	174.7	176.3	-62.6	-125.9	-1.7	110.9	D315 M316 A453 V455 R456 P457 R462 E463 L464 T837	D315-R460 IonicContact OD1-CZ 3.2Å; D315-R460 IonicContact OD1-NH1 3.91Å; D315-R460 PolarHBondContact OD1-NH1 2.83Å; D315-R460 IonicContact OD2-NH1 2.78Å; M316-R460 HydrophobicContact CG-CG 4.33Å; M316-R460 HydrophobicContact SD-CB 4.06Å; M316-R460 HydrophobicContact SD-CG 3.72Å; A453-R460 PolarHBondContact O-NH2 2.69Å; V455-R460 HydrophobicContact CG1-CB 4.08Å; R456-R460 WeakPolarHBondContact O-CB 3.19Å; R456-R460 PolarHBondContact O-N 3.5Å; P457-R460 PolarHBondContact O-N 3.49Å; R460-R462 VanDerWaalsContact C-N 3.34Å; R460-R462 PolarHBondContact O-N 3.25Å; R460-E463 WeakPolarHBondContact O-CB 3.28Å; R460-E463 PolarHBondContact O-N 3.37Å; R460-L464 HydrophobicContact CG-CD1 4.16Å; R460-L464 VanDerWaalsContact O-CG 3.3Å; R460-L464 WeakPolarHBondContact O-CG 3.48Å; R460-L464 PolarHBondContact O-N 2.93Å; R460-T837 WeakPolarHBondContact CD-OG1 3.35Å; R460-T837 PolarHBondContact NE-OG1 3.37Å; R460-T837 VanDerWaalsContact NE-OG1 3.08Å
461	F	97.3	Very high	92.8	Very high	4 Å²	4	49 Å²	49	2%	0.018	24%	0.237	C	C	.	.	H	α-helix	trans	-70	-31.4	-178.7	-83.8	-108.5	0	0	0	112.5	T128 N130 P457 E459 L464 V465 P489 R797 K799	T128-F461 HydrophobicContact CG2-CD1 3.95Å; T128-F461 HydrophobicContact CG2-CE1 3.7Å; T128-F461 WeakPolarHBondContact O-CZ 3.25Å; N130-F461 HydrophobicContact CB-CE1 4.02Å; N130-F461 HydrophobicContact CB-CZ 3.87Å; P457-F461 WeakPolarHBondContact O-CB 3Å; P457-F461 WeakPolarHBondContact O-CD2 3.09Å; P457-F461 PolarHBondContact O-N 3.16Å; E459-F461 PolarHBondContact O-N 3.22Å; F461-L464 PolarHBondContact O-N 3.43Å; F461-V465 WeakPolarHBondContact O-CB 3.13Å; F461-V465 VanDerWaalsContact O-CG2 3.3Å; F461-V465 WeakPolarHBondContact O-CG2 3.4Å; F461-V465 PolarHBondContact O-N 3.48Å; F461-P489 HydrophobicContact CD1-CG 4.25Å; F461-P489 HydrophobicContact CE1-CB 4.5Å; F461-R797 HydrophobicContact CE2-CB 4.28Å; F461-K799 HydrophobicContact CB-CD 3.86Å; F461-K799 HydrophobicContact CD1-CB 4.25Å; F461-K799 HydrophobicContact CD1-CD 4.24Å; F461-K799 HydrophobicContact CD2-CB 3.67Å; F461-K799 HydrophobicContact CD2-CD 4.16Å; F461-K799 HydrophobicContact CD2-CG 4.24Å; F461-K799 HydrophobicContact CE1-CB 4.1Å; F461-K799 HydrophobicContact CE2-CB 3.49Å; F461-K799 VanDerWaalsContact CE2-CB 3.49Å; F461-K799 HydrophobicContact CG-CB 4.03Å; F461-K799 HydrophobicContact CG-CD 3.82Å; F461-K799 HydrophobicContact CG-CG 4.38Å; F461-K799 HydrophobicContact CZ-CB 3.7Å
462	R	95.8	Very high	91.9	Very high	157 Å²	157	43 Å²	43	59%	0.592	22%	0.218	S	C	*	.	H	α-helix	trans	-60.4	-46.5	170.4	-173	-171.9	-56.2	175.5	2.1	111.1	Q458 E459 R460 L464 V465 N466	Q458-R462 WeakPolarHBondContact O-CB 3.42Å; Q458-R462 PolarHBondContact O-N 2.8Å; E459-R462 WeakPolarHBondContact O-CB 3.48Å; E459-R462 PolarHBondContact O-N 3.01Å; R460-R462 VanDerWaalsContact C-N 3.34Å; R460-R462 PolarHBondContact O-N 3.25Å; R462-L464 VanDerWaalsContact C-N 3.34Å; R462-L464 PolarHBondContact O-N 2.72Å; R462-V465 PolarHBondContact O-N 2.82Å; R462-N466 WeakPolarHBondContact O-CB 3.25Å; R462-N466 PolarHBondContact O-N 3.27Å; R462-N466 PolarHBondContact O-ND2 3.38Å; R462-N466 PolarHBondContact O-OD1 3.39Å
463	E	94.7	Very high	90.8	Very high	47 Å²	47	47.1 Å²	47.1	22%	0.22	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-40	176.6	-67.9	-67.6	126.6	0	0	112.1	R298 M316 E459 R460 N466 F467	R298-E463 IonicContact CZ-OE2 2.92Å; R298-E463 IonicContact NE-OE2 2.85Å; R298-E463 IonicContact NH1-OE2 3.97Å; R298-E463 PolarHBondContact NH1-OE2 3.07Å; R298-E463 IonicContact NH2-OE2 3.24Å; R298-E463 PolarHBondContact NH2-OE2 2.91Å; M316-E463 HydrophobicContact CE-CB 3.91Å; M316-E463 HydrophobicContact CE-CG 3.96Å; M316-E463 HydrophobicContact SD-CB 3.99Å; M316-E463 HydrophobicContact SD-CG 4.44Å; E459-E463 WeakPolarHBondContact O-CG 3.45Å; E459-E463 PolarHBondContact O-N 2.9Å; R460-E463 WeakPolarHBondContact O-CB 3.28Å; R460-E463 PolarHBondContact O-N 3.37Å; E463-N466 PolarHBondContact O-N 3.34Å; E463-F467 WeakPolarHBondContact O-CB 3.43Å; E463-F467 PolarHBondContact O-N 3.01Å
464	L	95.7	Very high	90	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.4	-42.5	176.6	-65.9	173.5	0	0	0	112.3	N130 W132 F300 L314 M316 R460 F461 R462 F467 T468	N130-L464 HydrophobicContact CB-CD1 3.78Å; W132-L464 HydrophobicContact CH2-CB 3.69Å; W132-L464 HydrophobicContact CH2-CD1 4.24Å; W132-L464 HydrophobicContact CZ2-CB 4.3Å; F300-L464 HydrophobicContact CD1-CD2 3.91Å; F300-L464 HydrophobicContact CE1-CD2 4.07Å; L314-L464 HydrophobicContact CB-CD2 4.18Å; L314-L464 WeakPolarHBondContact O-CD1 3.49Å; M316-L464 HydrophobicContact CG-CD2 4.01Å; M316-L464 HydrophobicContact CG-CG 4.41Å; R460-L464 HydrophobicContact CG-CD1 4.16Å; R460-L464 VanDerWaalsContact O-CG 3.3Å; R460-L464 WeakPolarHBondContact O-CG 3.48Å; R460-L464 PolarHBondContact O-N 2.93Å; F461-L464 PolarHBondContact O-N 3.43Å; R462-L464 VanDerWaalsContact C-N 3.34Å; R462-L464 PolarHBondContact O-N 2.72Å; L464-F467 PolarHBondContact O-N 2.91Å; L464-T468 PolarHBondContact O-N 3.27Å; L464-T468 PolarHBondContact O-OG1 3.3Å
465	V	95.3	Very high	89.7	Confident	26 Å²	26	53 Å²	53	16%	0.158	25%	0.249	C	C	.	.	H	α-helix	trans	-63	-43.2	175	169.7	0	0	0	0	110.8	W132 F461 R462 F467 T468 N469 P489	W132-V465 HydrophobicContact CZ2-CG2 4.19Å; F461-V465 WeakPolarHBondContact O-CB 3.13Å; F461-V465 VanDerWaalsContact O-CG2 3.3Å; F461-V465 WeakPolarHBondContact O-CG2 3.4Å; F461-V465 PolarHBondContact O-N 3.48Å; R462-V465 PolarHBondContact O-N 2.82Å; V465-F467 VanDerWaalsContact C-N 3.33Å; V465-F467 PolarHBondContact O-N 2.69Å; V465-T468 VanDerWaalsContact CA-OG1 3.26Å; V465-T468 WeakPolarHBondContact CA-OG1 3.32Å; V465-T468 PolarHBondContact O-N 3.04Å; V465-T468 PolarHBondContact O-OG1 3.19Å; V465-N469 VanDerWaalsContact O-CG 3.25Å; V465-N469 PolarHBondContact O-N 3.4Å; V465-N469 PolarHBondContact O-ND2 3.47Å; V465-P489 HydrophobicContact CG2-CG 4.42Å
466	N	92.2	Very high	89.5	Confident	80 Å²	80	58.7 Å²	58.7	43%	0.428	27%	0.269	S	S	.	.	H	α-helix	trans	-58.9	-46.4	174.1	-71.1	-13.9	0	0	0	110.8	R462 E463 T468 N469 T470	R462-N466 WeakPolarHBondContact O-CB 3.25Å; R462-N466 PolarHBondContact O-N 3.27Å; R462-N466 PolarHBondContact O-ND2 3.38Å; R462-N466 PolarHBondContact O-OD1 3.39Å; E463-N466 PolarHBondContact O-N 3.34Å; N466-T468 PolarHBondContact O-N 3.31Å; N466-N469 PolarHBondContact O-N 3.34Å; N466-T470 WeakPolarHBondContact O-CG2 3.35Å; N466-T470 PolarHBondContact O-N 2.79Å; N466-T470 VanDerWaalsContact O-N 3.17Å
467	F	89.5	Confident	89.3	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-60.2	-46.4	176.7	173.4	-116.5	0	0	0	112.2	L272 F300 L314 E463 L464 V465 N469 T470 I471	L272-F467 HydrophobicContact CD1-CD2 4.14Å; L272-F467 HydrophobicContact CD1-CE2 3.4Å; L272-F467 HydrophobicContact CD1-CZ 4.14Å; F300-F467 HydrophobicContact CB-CD1 4.02Å; F300-F467 HydrophobicContact CB-CE1 3.79Å; F300-F467 HydrophobicContact CB-CE2 4.5Å; F300-F467 HydrophobicContact CB-CG 4.46Å; F300-F467 HydrophobicContact CB-CZ 4.05Å; F300-F467 HydrophobicContact CD1-CB 4.16Å; F300-F467 AromaticContact CD1-CD1 3.89Å; F300-F467 HydrophobicContact CD1-CD1 3.89Å; F300-F467 AromaticContact CD1-CG 3.96Å; F300-F467 HydrophobicContact CD1-CG 3.96Å; F300-F467 HydrophobicContact CD2-CB 4.25Å; F300-F467 HydrophobicContact CD2-CD1 4.07Å; F300-F467 AromaticContact CD2-CD2 3.51Å; F300-F467 HydrophobicContact CD2-CD2 3.51Å; F300-F467 HydrophobicContact CD2-CE1 4.34Å; F300-F467 AromaticContact CD2-CE2 3.86Å; F300-F467 HydrophobicContact CD2-CE2 3.86Å; F300-F467 AromaticContact CD2-CG 3.64Å; F300-F467 HydrophobicContact CD2-CG 3.64Å; F300-F467 HydrophobicContact CD2-CZ 4.25Å; F300-F467 HydrophobicContact CE1-CB 3.77Å; F300-F467 HydrophobicContact CE1-CD1 4.38Å; F300-F467 HydrophobicContact CE1-CG 4.05Å; F300-F467 HydrophobicContact CE2-CB 3.85Å; F300-F467 AromaticContact CE2-CD2 3.64Å; F300-F467 HydrophobicContact CE2-CD2 3.64Å; F300-F467 HydrophobicContact CE2-CE2 4.39Å; F300-F467 AromaticContact CE2-CG 3.72Å; F300-F467 HydrophobicContact CE2-CG 3.72Å; F300-F467 HydrophobicContact CG-CB 4.39Å; F300-F467 AromaticContact CG-CD1 3.72Å; F300-F467 HydrophobicContact CG-CD1 3.72Å; F300-F467 HydrophobicContact CG-CD2 4.04Å; F300-F467 AromaticContact CG-CE1 3.98Å; F300-F467 HydrophobicContact CG-CE1 3.98Å; F300-F467 HydrophobicContact CG-CE2 4.32Å; F300-F467 AromaticContact CG-CG 3.75Å; F300-F467 HydrophobicContact CG-CG 3.75Å; F300-F467 HydrophobicContact CG-CZ 4.28Å; F300-F467 HydrophobicContact CZ-CB 3.61Å; F300-F467 HydrophobicContact CZ-CD2 4.3Å; F300-F467 AromaticContact CZ-CG 3.94Å; F300-F467 HydrophobicContact CZ-CG 3.94Å; L314-F467 HydrophobicContact CD1-CD1 4.45Å; L314-F467 HydrophobicContact CD2-CE1 4.23Å; E463-F467 WeakPolarHBondContact O-CB 3.43Å; E463-F467 PolarHBondContact O-N 3.01Å; L464-F467 PolarHBondContact O-N 2.91Å; V465-F467 VanDerWaalsContact C-N 3.33Å; V465-F467 PolarHBondContact O-N 2.69Å; F467-N469 PolarHBondContact O-N 3.33Å; F467-T470 PolarHBondContact O-N 3.15Å; F467-T470 PolarHBondContact O-OG1 3.03Å; F467-I471 HydrophobicContact CE1-CD1 4.11Å; F467-I471 HydrophobicContact CE1-CG1 4.46Å; F467-I471 HydrophobicContact CE2-CG1 4.37Å; F467-I471 HydrophobicContact CZ-CD1 4.2Å; F467-I471 HydrophobicContact CZ-CG1 4.17Å; F467-I471 PolarHBondContact O-N 2.85Å
468	T	89.6	Confident	89	Confident	6 Å²	6	52.9 Å²	52.9	4%	0.037	25%	0.247	C	C	.	.	H	α-helix	trans	-59.6	-32.1	176.2	42.4	0	0	0	0	113.4	W132 L314 L464 V465 N466 T470 I471	W132-T468 HydrophobicContact CD2-CG2 4.14Å; W132-T468 HydrophobicContact CZ2-CG2 4.14Å; L314-T468 HydrophobicContact CD1-CG2 3.06Å; L464-T468 PolarHBondContact O-N 3.27Å; L464-T468 PolarHBondContact O-OG1 3.3Å; V465-T468 VanDerWaalsContact CA-OG1 3.26Å; V465-T468 WeakPolarHBondContact CA-OG1 3.32Å; V465-T468 PolarHBondContact O-N 3.04Å; V465-T468 PolarHBondContact O-OG1 3.19Å; N466-T468 PolarHBondContact O-N 3.31Å; T468-T470 VanDerWaalsContact C-N 3.3Å; T468-I471 PolarHBondContact O-N 3.48Å
469	N	86.8	Confident	88.9	Confident	93 Å²	93	56.5 Å²	56.5	50%	0.497	26%	0.264	S	S	.	.	H	α-helix	trans	-74.6	-20.8	176.1	-67.2	-24.7	0	0	0	112.8	V465 N466 F467	V465-N469 VanDerWaalsContact O-CG 3.25Å; V465-N469 PolarHBondContact O-N 3.4Å; V465-N469 PolarHBondContact O-ND2 3.47Å; N466-N469 PolarHBondContact O-N 3.34Å; F467-N469 PolarHBondContact O-N 3.33Å
470	T	82.2	Confident	88.7	Confident	69 Å²	69	55 Å²	55	42%	0.423	26%	0.259	S	S	.	.	H	α-helix	trans	-85.9	-16.5	174.5	63.1	0	0	0	0	114.1	N466 F467 T468 S472	N466-T470 WeakPolarHBondContact O-CG2 3.35Å; N466-T470 PolarHBondContact O-N 2.79Å; N466-T470 VanDerWaalsContact O-N 3.17Å; F467-T470 PolarHBondContact O-N 3.15Å; F467-T470 PolarHBondContact O-OG1 3.03Å; T468-T470 VanDerWaalsContact C-N 3.3Å; T470-S472 PolarHBondContact O-N 2.69Å
471	I	81.6	Confident	88.6	Confident	8 Å²	8	54.4 Å²	54.4	4%	0.041	26%	0.256	C	S	.	.	S	Bend	trans	-62.1	121.3	173.6	-63	179.1	0	0	0	107.4	V267 F467 T468 K473 F478 I485	V267-I471 HydrophobicContact CG1-CG2 3.64Å; F467-I471 HydrophobicContact CE1-CD1 4.11Å; F467-I471 HydrophobicContact CE1-CG1 4.46Å; F467-I471 HydrophobicContact CE2-CG1 4.37Å; F467-I471 HydrophobicContact CZ-CD1 4.2Å; F467-I471 HydrophobicContact CZ-CG1 4.17Å; F467-I471 PolarHBondContact O-N 2.85Å; T468-I471 PolarHBondContact O-N 3.48Å; I471-K473 PolarHBondContact O-N 3.27Å; I471-F478 HydrophobicContact CG2-CE1 4.03Å; I471-F478 HydrophobicContact CG2-CZ 4.02Å; I471-I485 HydrophobicContact CD1-CD1 4.02Å; I471-I485 HydrophobicContact CG2-CD1 4.47Å
472	S	73.5	Confident	88.4	Confident	24 Å²	24	59.6 Å²	59.6	17%	0.168	28%	0.281	C	S	.	.			trans	-67.9	97.7	-176.2	179.5	0	0	0	0	110.5	V267 Q270 T470 E474 H475	V267-S472 WeakPolarHBondContact CG1-O 3.5Å; Q270-S472 PolarHBondContact OE1-OG 2.89Å; T470-S472 PolarHBondContact O-N 2.69Å; S472-E474 PolarHBondContact O-N 3.01Å; S472-H475 WeakPolarHBondContact O-CB 3.46Å; S472-H475 PolarHBondContact O-N 2.6Å; S472-H475 PolarHBondContact OG-N 3.32Å
473	K	71.9	Confident	88.4	Confident	108 Å²	108	52.6 Å²	52.6	47%	0.47	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.1	173.4	-64.2	-179.3	-177.2	174.5	0	111.9	I471 H475 N487	I471-K473 PolarHBondContact O-N 3.27Å; K473-H475 VanDerWaalsContact C-N 3.34Å; K473-N487 PolarHBondContact NZ-OD1 3.09Å
474	E	77	Confident	88.3	Confident	160 Å²	160	57.2 Å²	57.2	75%	0.748	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-3.1	175.8	-61.6	-178.5	175.6	0	0	113	S472 R476 Q479	S472-E474 PolarHBondContact O-N 3.01Å; E474-R476 PolarHBondContact O-N 2.69Å; E474-Q479 PolarHBondContact O-NE2 3.36Å
475	H	87.2	Confident	88.2	Confident	30 Å²	30	58.1 Å²	58.1	14%	0.139	28%	0.28	C	S	.	.			trans	-59	136.1	179.4	-167.7	-80.9	0	0	0	111	V267 S472 K473 L477 F478 Q479	V267-H475 HydrophobicContact CB-CB 4.4Å; V267-H475 HydrophobicContact CG1-CB 3.73Å; V267-H475 HydrophobicContact CG2-CB 4.15Å; S472-H475 WeakPolarHBondContact O-CB 3.46Å; S472-H475 PolarHBondContact O-N 2.6Å; S472-H475 PolarHBondContact OG-N 3.32Å; K473-H475 VanDerWaalsContact C-N 3.34Å; H475-L477 PolarHBondContact ND1-N 3.29Å; H475-L477 PolarHBondContact O-N 3.48Å; H475-L477 VanDerWaalsContact O-N 3.08Å; H475-F478 WeakPolarHBondContact O-CA 3.22Å; H475-F478 WeakPolarHBondContact O-CB 3.49Å; H475-F478 PolarHBondContact O-N 3.05Å; H475-Q479 PolarHBondContact O-N 3.32Å; H475-Q479 VanDerWaalsContact O-N 3.11Å
476	R	89.5	Confident	88.2	Confident	141 Å²	141	58.7 Å²	58.7	53%	0.532	29%	0.288	S	S	.	.	H	α-helix	trans	-53.5	-36.2	-175.4	-167.9	175.7	169.6	172.5	-4.8	113.3	D182 C183 E474 Q479 L480	D182-R476 IonicContact OD2-NH1 3.74Å; D182-R476 PolarHBondContact OD2-NH1 3.48Å; C183-R476 WeakPolarHBondContact SG-CD 3.43Å; C183-R476 WeakPolarHBondContact SG-CG 3.06Å; C183-R476 PolarHBondContact SG-NE 2.81Å; E474-R476 PolarHBondContact O-N 2.69Å; R476-Q479 PolarHBondContact O-N 2.78Å; R476-L480 WeakPolarHBondContact O-CB 3.5Å; R476-L480 PolarHBondContact O-N 3.06Å
477	L	90.7	Very high	88.2	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.8	-44.5	172.3	-67.7	176.4	0	0	0	113.2	C183 I185 I263 T266 V267 H475 Q479 L480 F481	C183-L477 HydrophobicContact CB-CD2 4.06Å; C183-L477 WeakPolarHBondContact O-CD2 3.37Å; I185-L477 HydrophobicContact CD1-CD2 4.2Å; I185-L477 HydrophobicContact CG1-CD1 3.86Å; I185-L477 HydrophobicContact CG1-CD2 3.88Å; I263-L477 HydrophobicContact CG2-CB 4.48Å; T266-L477 HydrophobicContact CG2-CD1 3.61Å; V267-L477 HydrophobicContact CG2-CB 4.02Å; V267-L477 HydrophobicContact CG2-CD1 4.28Å; H475-L477 PolarHBondContact ND1-N 3.29Å; H475-L477 PolarHBondContact O-N 3.48Å; H475-L477 VanDerWaalsContact O-N 3.08Å; L477-Q479 VanDerWaalsContact C-N 3.3Å; L477-Q479 PolarHBondContact O-N 3.07Å; L477-L480 PolarHBondContact O-N 3.17Å; L477-F481 HydrophobicContact CD2-CE2 4.19Å; L477-F481 VanDerWaalsContact O-CD2 3.28Å; L477-F481 WeakPolarHBondContact O-CD2 3.27Å; L477-F481 PolarHBondContact O-N 3.46Å
478	F	91.8	Very high	88.4	Confident	7 Å²	7	64.9 Å²	64.9	3%	0.031	32%	0.317	C	S	.	.	H	α-helix	trans	-64.8	-37.3	176.9	-92.7	-150.6	0	0	0	111.4	I263 L264 V267 I471 H475 Q482 A483 I485	I263-F478 HydrophobicContact CG2-CD2 4.35Å; I263-F478 HydrophobicContact CG2-CE2 4.21Å; L264-F478 HydrophobicContact CD2-CE2 4.35Å; L264-F478 HydrophobicContact CD2-CZ 4.12Å; V267-F478 HydrophobicContact CB-CD2 4.35Å; V267-F478 HydrophobicContact CB-CE2 4.13Å; V267-F478 HydrophobicContact CG1-CD2 4.14Å; V267-F478 HydrophobicContact CG1-CE2 4.02Å; V267-F478 HydrophobicContact CG1-CG 4.46Å; V267-F478 HydrophobicContact CG1-CZ 4.21Å; V267-F478 HydrophobicContact CG2-CD2 3.56Å; V267-F478 HydrophobicContact CG2-CE2 3.69Å; V267-F478 HydrophobicContact CG2-CG 4.45Å; I471-F478 HydrophobicContact CG2-CE1 4.03Å; I471-F478 HydrophobicContact CG2-CZ 4.02Å; H475-F478 WeakPolarHBondContact O-CA 3.22Å; H475-F478 WeakPolarHBondContact O-CB 3.49Å; H475-F478 PolarHBondContact O-N 3.05Å; F478-Q482 CarbonylContact O-C 3.54Å; F478-Q482 WeakPolarHBondContact O-CA 3.29Å; F478-Q482 PolarHBondContact O-N 3.2Å; F478-A483 HydrophobicContact CD2-CB 3.83Å; F478-A483 HydrophobicContact CE2-CB 4.14Å; F478-A483 HydrophobicContact CG-CB 4.04Å; F478-A483 PolarHBondContact O-N 3.1Å; F478-I485 HydrophobicContact CE1-CD1 4.09Å; F478-I485 HydrophobicContact CE1-CG1 4.32Å; F478-I485 HydrophobicContact CZ-CD1 3.8Å; F478-I485 HydrophobicContact CZ-CG1 4.25Å
479	Q	92.2	Very high	88.8	Confident	121 Å²	121	65.2 Å²	65.2	57%	0.565	32%	0.32	S	S	*	.	H	α-helix	trans	-65.5	-48	173.2	-62.6	176.5	-3.9	0	0	111.8	E474 H475 R476 L477 F481 Q482	E474-Q479 PolarHBondContact O-NE2 3.36Å; H475-Q479 PolarHBondContact O-N 3.32Å; H475-Q479 VanDerWaalsContact O-N 3.11Å; R476-Q479 PolarHBondContact O-N 2.78Å; L477-Q479 VanDerWaalsContact C-N 3.3Å; L477-Q479 PolarHBondContact O-N 3.07Å; Q479-F481 VanDerWaalsContact C-N 3.32Å; Q479-F481 PolarHBondContact O-N 3.15Å; Q479-Q482 PolarHBondContact O-N 3.25Å; Q479-Q482 VanDerWaalsContact O-N 3.12Å
480	L	92.3	Very high	89.3	Confident	57 Å²	57	61.6 Å²	61.6	30%	0.298	30%	0.301	S	S	.	.	H	α-helix	trans	-58.1	-42.8	-179	179.8	63.3	0	0	0	112.5	C183 A195 R476 L477	C183-L480 HydrophobicContact CB-CD2 4.04Å; A195-L480 HydrophobicContact CB-CD2 3.75Å; A195-L480 HydrophobicContact CB-CG 4.47Å; R476-L480 WeakPolarHBondContact O-CB 3.5Å; R476-L480 PolarHBondContact O-N 3.06Å; L477-L480 PolarHBondContact O-N 3.17Å
481	F	93.8	Very high	90.1	Very high	1 Å²	1	62.5 Å²	62.5	0%	0.004	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	1.1	179.1	-69.4	-75.6	0	0	0	113.4	I136 K137 K139 V141 I185 A195 T235 I263 L477 Q479 A483	I136-F481 HydrophobicContact CD1-CB 3.75Å; I136-F481 HydrophobicContact CD1-CD1 4.24Å; I136-F481 HydrophobicContact CD1-CG 4.13Å; I136-F481 HydrophobicContact CG1-CB 3.73Å; I136-F481 WeakPolarHBondContact CG1-O 3.33Å; K137-F481 VanDerWaalsContact CB-O 3.3Å; K137-F481 WeakPolarHBondContact CB-O 3.47Å; K137-F481 PolarHBondContact N-O 2.9Å; K139-F481 HydrophobicContact CB-CD1 4.18Å; K139-F481 HydrophobicContact CB-CE1 4.15Å; K139-F481 HydrophobicContact CD-CD1 4.19Å; K139-F481 HydrophobicContact CD-CE1 3.96Å; K139-F481 HydrophobicContact CG-CE1 4.28Å; V141-F481 HydrophobicContact CG2-CE1 3.51Å; V141-F481 HydrophobicContact CG2-CZ 3.73Å; I185-F481 HydrophobicContact CD1-CE2 3.96Å; I185-F481 HydrophobicContact CD1-CZ 4.25Å; A195-F481 HydrophobicContact CB-CZ 4.29Å; T235-F481 HydrophobicContact CG2-CD1 3.89Å; T235-F481 HydrophobicContact CG2-CE1 3.82Å; I263-F481 HydrophobicContact CD1-CD2 3.97Å; I263-F481 HydrophobicContact CD1-CE2 3.93Å; I263-F481 HydrophobicContact CD1-CG 4.39Å; I263-F481 HydrophobicContact CD1-CZ 4.28Å; L477-F481 HydrophobicContact CD2-CE2 4.19Å; L477-F481 VanDerWaalsContact O-CD2 3.28Å; L477-F481 WeakPolarHBondContact O-CD2 3.27Å; L477-F481 PolarHBondContact O-N 3.46Å; Q479-F481 VanDerWaalsContact C-N 3.32Å; Q479-F481 PolarHBondContact O-N 3.15Å; F481-A483 HydrophobicContact CB-CB 4.46Å; F481-A483 PolarHBondContact O-N 3.29Å; F481-A483 VanDerWaalsContact O-N 3.11Å
482	Q	93.9	Very high	90.8	Very high	113 Å²	113	62.2 Å²	62.2	53%	0.528	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.6	38.4	-171.5	-53.5	-178.2	5	0	0	112.5	K137 F478 Q479	K137-Q482 HydrophobicContact CB-CB 4.08Å; K137-Q482 HydrophobicContact CB-CG 4.47Å; K137-Q482 HydrophobicContact CD-CG 4.26Å; F478-Q482 CarbonylContact O-C 3.54Å; F478-Q482 WeakPolarHBondContact O-CA 3.29Å; F478-Q482 PolarHBondContact O-N 3.2Å; Q479-Q482 PolarHBondContact O-N 3.25Å; Q479-Q482 VanDerWaalsContact O-N 3.12Å
483	A	94.3	Very high	91.9	Very high	9 Å²	9	65.1 Å²	65.1	7%	0.074	31%	0.311	C	S	.	.			trans	-73.7	136.3	-175.2	0	0	0	0	0	110.8	F134 S135 I136 F478 F481	F134-A483 HydrophobicContact CE2-CB 4.15Å; F134-A483 HydrophobicContact CZ-CB 4.14Å; S135-A483 CarbonylContact O-C 3.47Å; S135-A483 VanDerWaalsContact O-CA 3.31Å; S135-A483 WeakPolarHBondContact O-CA 3.26Å; I136-A483 HydrophobicContact CD1-CB 4.4Å; I136-A483 HydrophobicContact CG1-CB 4.13Å; F478-A483 HydrophobicContact CD2-CB 3.83Å; F478-A483 HydrophobicContact CE2-CB 4.14Å; F478-A483 HydrophobicContact CG-CB 4.04Å; F478-A483 PolarHBondContact O-N 3.1Å; F481-A483 HydrophobicContact CB-CB 4.46Å; F481-A483 PolarHBondContact O-N 3.29Å; F481-A483 VanDerWaalsContact O-N 3.11Å
484	K	93.3	Very high	93.2	Very high	145 Å²	145	60 Å²	60	63%	0.63	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.5	133.3	179.6	-62.8	178.7	-177.8	176.7	0	110.1	F134 S135	F134-K484 WeakPolarHBondContact CA-O 3.32Å; F134-K484 VanDerWaalsContact CD2-O 3.29Å; F134-K484 WeakPolarHBondContact CD2-O 3.49Å; S135-K484 PolarHBondContact N-O 3.03Å; S135-K484 PolarHBondContact O-N 3.44Å
485	I	94.1	Very high	94.2	Very high	19 Å²	19	52.8 Å²	52.8	10%	0.097	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.5	167.7	-57.2	169.8	0	0	0	106.7	W132 F134 L264 V312 I471 F478	W132-I485 HydrophobicContact CB-CG2 3.65Å; W132-I485 HydrophobicContact CG-CG2 4.09Å; F134-I485 HydrophobicContact CD2-CG1 3.77Å; F134-I485 HydrophobicContact CE2-CG1 4.13Å; L264-I485 HydrophobicContact CD2-CD1 3.83Å; V312-I485 HydrophobicContact CG2-CD1 4.37Å; V312-I485 HydrophobicContact CG2-CG1 4.16Å; I471-I485 HydrophobicContact CD1-CD1 4.02Å; I471-I485 HydrophobicContact CG2-CD1 4.47Å; F478-I485 HydrophobicContact CE1-CD1 4.09Å; F478-I485 HydrophobicContact CE1-CG1 4.32Å; F478-I485 HydrophobicContact CZ-CD1 3.8Å; F478-I485 HydrophobicContact CZ-CG1 4.25Å
486	A	94.2	Very high	94.7	Very high	38 Å²	38	51.9 Å²	51.9	31%	0.314	25%	0.252	S	S	.	.			trans	-54.1	154	173.1	0	0	0	0	0	111.6	D133 Q488	D133-A486 HydrophobicContact CB-CB 4.2Å; D133-A486 PolarHBondContact O-N 3.19Å; A486-Q488 VanDerWaalsContact C-N 3.34Å
487	N	92	Very high	95.1	Very high	94 Å²	94	45.2 Å²	45.2	50%	0.503	23%	0.226	S	C	.	.	S	Bend	trans	-77.2	-22.9	179.8	-68.5	-26.5	0	0	0	113.1	K473	K473-N487 PolarHBondContact NZ-OD1 3.09Å
488	Q	95.3	Very high	95.4	Very high	119 Å²	119	51 Å²	51	56%	0.556	25%	0.253	S	S	*	.	S	Bend	trans	-126.8	147.2	-175.4	-65.8	-60.1	-31.8	0	0	110.5	W132 A486	W132-Q488 VanDerWaalsContact NE1-C 3.27Å; A486-Q488 VanDerWaalsContact C-N 3.34Å
489	P	97.5	Very high	95.7	Very high	14 Å²	14	51.2 Å²	51.2	9%	0.091	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-63.2	155.9	170.5	26.1	-32.7	0	0	0	110.7	T128 V129 C131 W132 F461 V465	T128-P489 HydrophobicContact CG2-CB 3.66Å; T128-P489 HydrophobicContact CG2-CG 3.46Å; T128-P489 VanDerWaalsContact CG2-CG 3.46Å; V129-P489 VanDerWaalsContact O-CB 3.24Å; V129-P489 WeakPolarHBondContact O-CB 3.43Å; C131-P489 CarbonylContact O-C 3.03Å; C131-P489 VanDerWaalsContact O-CA 3.27Å; C131-P489 WeakPolarHBondContact O-CA 3.48Å; W132-P489 HydrophobicContact CD2-CB 4.21Å; W132-P489 HydrophobicContact CH2-CB 3.96Å; W132-P489 HydrophobicContact CH2-CG 4.47Å; W132-P489 HydrophobicContact CZ2-CB 3.68Å; W132-P489 HydrophobicContact CZ2-CG 3.93Å; W132-P489 HydrophobicContact CZ3-CB 4.37Å; F461-P489 HydrophobicContact CD1-CG 4.25Å; F461-P489 HydrophobicContact CE1-CB 4.5Å; V465-P489 HydrophobicContact CG2-CG 4.42Å
490	V	97.7	Very high	96	Very high	17 Å²	17	45.5 Å²	45.5	10%	0.103	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-77.1	138.6	-178.8	-58.8	0	0	0	0	111.7	T128 V129 C131 D133 V492	T128-V490 WeakPolarHBondContact CA-O 3.46Å; V129-V490 HydrophobicContact CB-CG2 4.22Å; V129-V490 PolarHBondContact N-O 2.74Å; C131-V490 HydrophobicContact CB-CG2 3.95Å; C131-V490 WeakPolarHBondContact O-CG2 3.45Å; C131-V490 PolarHBondContact O-N 3.29Å; D133-V490 WeakPolarHBondContact OD1-CG1 3.42Å; V490-V492 HydrophobicContact CG2-CG1 4.08Å
491	D	97.8	Very high	96.2	Very high	87 Å²	87	46.7 Å²	46.7	47%	0.465	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	132.1	165.7	-69.2	-29.2	0	0	0	108.9	V127 T128 Q801	V127-D491 WeakPolarHBondContact O-CA 3.36Å; T128-D491 VanDerWaalsContact CA-OD1 3.27Å; T128-D491 WeakPolarHBondContact CA-OD1 3.44Å; T128-D491 WeakPolarHBondContact CB-OD1 3.44Å; T128-D491 WeakPolarHBondContact CG2-OD1 3.36Å; T128-D491 PolarHBondContact OG1-OD1 3.36Å; D491-Q801 PolarHBondContact OD1-NE2 2.86Å; D491-Q801 PolarHBondContact OD2-NE2 2.85Å; D491-Q801 VanDerWaalsContact OD2-NE2 3.1Å
492	V	97.4	Very high	96.4	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	146.2	-177.7	-55.4	0	0	0	0	110.3	Y126 V127 V129 V490 V814 D817 I818	Y126-V492 WeakPolarHBondContact CA-O 3.36Å; Y126-V492 WeakPolarHBondContact CD1-O 3.28Å; V127-V492 HydrophobicContact CG2-CG2 3.61Å; V127-V492 PolarHBondContact N-O 3.37Å; V127-V492 VanDerWaalsContact N-O 3.1Å; V127-V492 PolarHBondContact O-N 3.19Å; V129-V492 HydrophobicContact CG2-CB 4.24Å; V129-V492 HydrophobicContact CG2-CG1 3.76Å; V129-V492 HydrophobicContact CG2-CG2 3.42Å; V129-V492 VanDerWaalsContact CG2-CG2 3.42Å; V490-V492 HydrophobicContact CG2-CG1 4.08Å; V492-V814 HydrophobicContact CB-CG1 4.49Å; V492-V814 HydrophobicContact CG2-CG1 3.74Å; V492-V814 HydrophobicContact CG2-CG2 4.32Å; V492-D817 HydrophobicContact CB-CB 4.26Å; V492-D817 HydrophobicContact CG1-CB 3.84Å; V492-I818 HydrophobicContact CG1-CG2 3.87Å
493	K	96.6	Very high	96.5	Very high	85 Å²	85	43 Å²	43	37%	0.37	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	136.6	170.1	-178.3	171.6	173.3	146	0	108.9	E124 Y126	E124-K493 WeakPolarHBondContact OE1-CE 3.4Å; E124-K493 IonicContact OE1-NZ 2.67Å; E124-K493 PolarHBondContact OE1-NZ 2.84Å; E124-K493 WeakPolarHBondContact OE2-CE 3.44Å; E124-K493 IonicContact OE2-NZ 3.77Å; E124-K493 PolarHBondContact OE2-NZ 2.8Å; Y126-K493 HydrophobicContact CE1-CB 3.96Å
494	S	97.7	Very high	96.5	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.007	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	173.9	-176.8	60.9	0	0	0	0	110.3	I125 V813	I125-S494 WeakPolarHBondContact CG1-OG 3.21Å; I125-S494 PolarHBondContact N-O 3.19Å; I125-S494 CarbonylContact O-C 3.57Å; I125-S494 WeakPolarHBondContact O-CA 3.48Å; I125-S494 PolarHBondContact O-N 3Å; I125-S494 PolarHBondContact O-OG 2.85Å; S494-V813 WeakPolarHBondContact CA-O 3.36Å; S494-V813 VanDerWaalsContact CB-O 3.31Å; S494-V813 WeakPolarHBondContact CB-O 3.4Å
495	R	98	Very high	96.4	Very high	9 Å²	9	40.1 Å²	40.1	3%	0.034	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	152.4	179.1	-64.5	170.2	-67.4	126.6	-3.1	110.6	G119 L121 K123 T812 V813 D815 D855	G119-R495 PolarHBondContact O-NE 3.4Å; G119-R495 PolarHBondContact O-NH2 2.66Å; L121-R495 WeakPolarHBondContact O-CD 3.43Å; L121-R495 PolarHBondContact O-NH1 3.38Å; K123-R495 CarbonylContact O-C 3.56Å; K123-R495 VanDerWaalsContact O-CA 3.24Å; K123-R495 WeakPolarHBondContact O-CA 3.41Å; R495-T812 CarbonylContact O-C 3.4Å; R495-T812 VanDerWaalsContact O-CA 3.24Å; R495-T812 WeakPolarHBondContact O-CA 3.31Å; R495-V813 HydrophobicContact CB-CG1 3.94Å; R495-V813 PolarHBondContact N-O 2.9Å; R495-V813 VanDerWaalsContact N-O 3.1Å; R495-V813 PolarHBondContact O-N 2.87Å; R495-D815 IonicContact NH2-OD1 3.7Å; R495-D815 IonicContact NH2-OD2 2.65Å; R495-D815 PolarHBondContact NH2-OD2 2.84Å; R495-D855 IonicContact CZ-OD1 2.74Å; R495-D855 IonicContact NH1-OD1 2.73Å; R495-D855 PolarHBondContact NH1-OD1 3.47Å; R495-D855 IonicContact NH2-OD1 3.83Å
496	V	98.3	Very high	96	Very high	11 Å²	11	45.6 Å²	45.6	7%	0.067	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	112.1	167	-172.6	0	0	0	0	108.8	G122 K123 I125 E809	G122-V496 CarbonylContact C-O 3.54Å; G122-V496 VanDerWaalsContact CA-O 3.24Å; G122-V496 WeakPolarHBondContact CA-O 3.43Å; K123-V496 HydrophobicContact CB-CB 4.47Å; K123-V496 PolarHBondContact N-O 3.19Å; K123-V496 PolarHBondContact O-N 2.82Å; I125-V496 HydrophobicContact CD1-CG2 3.46Å; I125-V496 VanDerWaalsContact CD1-CG2 3.46Å; I125-V496 HydrophobicContact CG1-CG2 3.89Å; I125-V496 HydrophobicContact CG2-CG2 4.37Å; V496-E809 HydrophobicContact CG1-CB 3.96Å; V496-E809 HydrophobicContact CG2-CB 4.16Å
497	L	98.4	Very high	95.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-70.5	143.3	175.3	-61.6	-176.8	0	0	0	110.9	L121 G811 V813 I828 Q858 M859 Y862	L121-L497 WeakPolarHBondContact O-CD2 3.31Å; L497-G811 PolarHBondContact N-O 2.74Å; L497-V813 HydrophobicContact CD1-CB 4.3Å; L497-V813 HydrophobicContact CD1-CG1 4.16Å; L497-V813 HydrophobicContact CD2-CG1 3.89Å; L497-V813 HydrophobicContact CG-CB 4.35Å; L497-V813 HydrophobicContact CG-CG1 3.78Å; L497-I828 HydrophobicContact CD1-CD1 4.5Å; L497-Q858 HydrophobicContact CD1-CB 4.18Å; L497-M859 HydrophobicContact CB-SD 3.73Å; L497-M859 HydrophobicContact CD1-SD 4.04Å; L497-M859 HydrophobicContact CD2-CG 4.35Å; L497-M859 HydrophobicContact CD2-SD 3.78Å; L497-M859 HydrophobicContact CG-SD 4.04Å; L497-Y862 HydrophobicContact CB-CD1 3.65Å; L497-Y862 HydrophobicContact CB-CE1 3.9Å; L497-Y862 HydrophobicContact CB-CG 4.46Å; L497-Y862 HydrophobicContact CD1-CD1 4.22Å; L497-Y862 HydrophobicContact CD1-CG 4.33Å
498	Q	97.7	Very high	95.1	Very high	121 Å²	121	50.8 Å²	50.8	57%	0.565	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-73.4	133.6	179.2	-70.2	-66.5	-4.4	0	0	110.9	H863	Q498-H863 PolarHBondContact O-NE2 2.94Å
499	P	98.1	Very high	95	Very high	13 Å²	13	49.6 Å²	49.6	8%	0.084	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-56.3	153.2	170.9	-24.1	34.7	0	0	0	111.5	Q511 L512 A514 Y866	P499-Q511 PolarHBondContact O-NE2 3.39Å; P499-L512 WeakPolarHBondContact CB-O 3.47Å; P499-A514 HydrophobicContact CG-CB 3.9Å; P499-Y866 HydrophobicContact CB-CE1 4.37Å
500	P	97.5	Very high	94.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-75.7	171.8	177.1	31.9	-33.1	0	0	0	111.7	Q511 L512 V653 D655 H863 Y866	P500-Q511 PolarHBondContact O-NE2 2.68Å; P500-L512 WeakPolarHBondContact O-CB 3.07Å; P500-L512 PolarHBondContact O-N 3.45Å; P500-L512 VanDerWaalsContact O-N 3.1Å; P500-V653 HydrophobicContact CB-CG1 3.51Å; P500-V653 HydrophobicContact CG-CG1 3.7Å; P500-D655 HydrophobicContact CB-CB 4.15Å; P500-H863 HydrophobicContact CB-CB 4.35Å; P500-H863 HydrophobicContact CG-CB 4.44Å; P500-Y866 HydrophobicContact CG-CD1 3.89Å; P500-Y866 HydrophobicContact CG-CD2 3.78Å; P500-Y866 HydrophobicContact CG-CE1 4.39Å; P500-Y866 HydrophobicContact CG-CE2 4.31Å; P500-Y866 HydrophobicContact CG-CG 3.55Å
501	K	96.9	Very high	94.9	Very high	83 Å²	83	56.1 Å²	56.1	36%	0.361	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	163.9	163	-61.6	166.3	-172.5	167.7	0	109.5	K509 I510 P654 D655	K501-K509 HydrophobicContact CB-CB 4.34Å; K501-K509 HydrophobicContact CD-CB 4.29Å; K501-K509 HydrophobicContact CD-CD 4.41Å; K501-I510 CarbonylContact C-O 3.55Å; K501-I510 VanDerWaalsContact CA-O 3.23Å; K501-I510 WeakPolarHBondContact CA-O 3.35Å; K501-P654 HydrophobicContact CB-CG 4.23Å; K501-P654 WeakPolarHBondContact O-CD 3.31Å; K501-D655 WeakPolarHBondContact CB-OD2 3.46Å; K501-D655 PolarHBondContact N-OD2 3.29Å
502	A	96.8	Very high	94.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	148.5	170.4	0	0	0	0	0	112	F504 I510 L512 W651 I652	A502-F504 HydrophobicContact CB-CE2 3.92Å; A502-F504 HydrophobicContact CB-CZ 4.13Å; A502-I510 PolarHBondContact N-O 2.66Å; A502-I510 PolarHBondContact O-N 3.34Å; A502-L512 HydrophobicContact CB-CD1 3.8Å; A502-L512 HydrophobicContact CB-CD2 3.71Å; A502-L512 HydrophobicContact CB-CG 3.76Å; A502-W651 HydrophobicContact CB-CB 4.42Å; A502-I652 CarbonylContact C-O 3.56Å; A502-I652 WeakPolarHBondContact CA-O 3.36Å
503	I	96.5	Very high	94.8	Very high	35 Å²	35	60 Å²	60	18%	0.179	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-112.3	125.9	172.3	-57.1	169.5	0	0	0	107.5	K509 W651 I652 P654	I503-K509 HydrophobicContact CD1-CG 4.06Å; I503-K509 HydrophobicContact CG1-CG 3.79Å; I503-W651 CarbonylContact O-C 3.29Å; I503-W651 WeakPolarHBondContact O-CA 3.22Å; I503-W651 WeakPolarHBondContact O-CB 3.17Å; I503-I652 HydrophobicContact CB-CB 4.39Å; I503-I652 PolarHBondContact N-O 2.85Å; I503-I652 PolarHBondContact O-N 2.88Å; I503-P654 HydrophobicContact CD1-CB 3.99Å; I503-P654 HydrophobicContact CD1-CG 3.96Å; I503-P654 HydrophobicContact CG1-CG 4.03Å
504	F	95.2	Very high	94.6	Very high	5 Å²	5	57.7 Å²	57.7	2%	0.022	29%	0.287	C	S	.	.			trans	-106.1	-142.9	173.4	-57.4	-89.8	0	0	0	109.2	A502 R506 I510 L512 W517 T519 P520 D521 H523 W651	A502-F504 HydrophobicContact CB-CE2 3.92Å; A502-F504 HydrophobicContact CB-CZ 4.13Å; F504-R506 PolarHBondContact O-N 3.43Å; F504-I510 HydrophobicContact CD2-CD1 3.96Å; F504-I510 HydrophobicContact CE2-CD1 4.16Å; F504-L512 HydrophobicContact CE2-CD2 4.44Å; F504-L512 HydrophobicContact CZ-CD2 4.33Å; F504-W517 AromaticContact CZ-CD1 3.91Å; F504-T519 HydrophobicContact CD1-CG2 4.08Å; F504-T519 HydrophobicContact CE1-CG2 3.91Å; F504-P520 HydrophobicContact CB-CG 4.39Å; F504-P520 HydrophobicContact CD1-CG 4.39Å; F504-P520 HydrophobicContact CD2-CG 4.23Å; F504-P520 HydrophobicContact CG-CG 4.1Å; F504-D521 WeakPolarHBondContact CB-OD1 3.4Å; F504-D521 WeakPolarHBondContact CD1-O 3.46Å; F504-H523 PolarHBondContact O-ND1 3.12Å; F504-W651 HydrophobicContact CD1-CB 3.7Å; F504-W651 HydrophobicContact CE1-CB 3.61Å; F504-W651 HydrophobicContact CE1-CD2 4.31Å; F504-W651 HydrophobicContact CE1-CE3 4.03Å; F504-W651 HydrophobicContact CE1-CG 4.16Å; F504-W651 HydrophobicContact CG-CB 4.4Å; F504-W651 HydrophobicContact CZ-CB 4.24Å
505	N	91.5	Very high	94.4	Very high	90 Å²	90	57.7 Å²	57.7	48%	0.481	29%	0.287	S	S	.	.	S	Bend	trans	-88.7	37.2	174.6	-164	18.3	0	0	0	112.4	D521 F522	N505-D521 HydrophobicContact CB-CB 4.19Å; N505-D521 WeakPolarHBondContact CB-OD1 3.31Å; N505-D521 PolarHBondContact N-OD1 2.93Å; N505-F522 WeakPolarHBondContact CB-O 3.19Å
506	R	84.9	Confident	94.3	Very high	133 Å²	133	58.8 Å²	58.8	50%	0.502	30%	0.296	S	S	.	.	S	Bend	trans	-133.4	150.9	-178	-62	-175.2	-169.2	-167.8	-5.2	108.8	F504 D508 D521	F504-R506 PolarHBondContact O-N 3.43Å; R506-D508 PolarHBondContact O-N 2.74Å; R506-D521 IonicContact CZ-OD2 3.63Å; R506-D521 IonicContact NE-OD2 3.75Å; R506-D521 PolarHBondContact NE-OD2 2.91Å; R506-D521 IonicContact NH2-OD2 2.58Å
507	P	76.5	Confident	94.1	Very high	126 Å²	126	59.3 Å²	59.3	82%	0.818	30%	0.297	S	S	*	.	S	Bend	trans	-64.9	-28.4	-177.8	25.2	-33.7	0	0	0	112.8
508	D	90.6	Very high	93.9	Very high	115 Å²	115	66.6 Å²	66.6	62%	0.615	34%	0.335	S	S	*	.	S	Bend	trans	-84.8	137	-173	-58.1	-43.1	0	0	0	113.5	R506	R506-D508 PolarHBondContact O-N 2.74Å
509	K	94.2	Very high	93.7	Very high	94 Å²	94	61.7 Å²	61.7	41%	0.409	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-73.3	125	166.9	-65.2	174.9	-177.7	176.5	0	109.4	K501 I503 P654 E658	K501-K509 HydrophobicContact CB-CB 4.34Å; K501-K509 HydrophobicContact CD-CB 4.29Å; K501-K509 HydrophobicContact CD-CD 4.41Å; I503-K509 HydrophobicContact CD1-CG 4.06Å; I503-K509 HydrophobicContact CG1-CG 3.79Å; K509-P654 HydrophobicContact CD-CG 4.42Å; K509-E658 WeakPolarHBondContact CE-OE1 3.37Å; K509-E658 IonicContact NZ-OE1 3.82Å; K509-E658 PolarHBondContact NZ-OE1 2.94Å; K509-E658 IonicContact NZ-OE2 3.75Å; K509-E658 PolarHBondContact NZ-OE2 3Å
510	I	95.4	Very high	93.3	Very high	67 Å²	67	62.8 Å²	62.8	34%	0.344	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	126.7	179.9	-57.9	179.7	0	0	0	109.5	K501 A502 F504 L512	K501-I510 CarbonylContact C-O 3.55Å; K501-I510 VanDerWaalsContact CA-O 3.23Å; K501-I510 WeakPolarHBondContact CA-O 3.35Å; A502-I510 PolarHBondContact N-O 2.66Å; A502-I510 PolarHBondContact O-N 3.34Å; F504-I510 HydrophobicContact CD2-CD1 3.96Å; F504-I510 HydrophobicContact CE2-CD1 4.16Å; I510-L512 PolarHBondContact O-N 2.99Å
511	Q	96.4	Very high	93.1	Very high	102 Å²	102	63.9 Å²	63.9	48%	0.477	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	118.2	170.6	-177.4	59.3	56.1	0	0	109.9	P499 P500	P499-Q511 PolarHBondContact O-NE2 3.39Å; P500-Q511 PolarHBondContact O-NE2 2.68Å
512	L	96.8	Very high	93.1	Very high	9 Å²	9	60 Å²	60	5%	0.047	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-76.1	153	178.4	-63.7	-173.3	0	0	0	111.4	P499 P500 A502 F504 I510 W517 Y866	P499-L512 WeakPolarHBondContact CB-O 3.47Å; P500-L512 WeakPolarHBondContact O-CB 3.07Å; P500-L512 PolarHBondContact O-N 3.45Å; P500-L512 VanDerWaalsContact O-N 3.1Å; A502-L512 HydrophobicContact CB-CD1 3.8Å; A502-L512 HydrophobicContact CB-CD2 3.71Å; A502-L512 HydrophobicContact CB-CG 3.76Å; F504-L512 HydrophobicContact CE2-CD2 4.44Å; F504-L512 HydrophobicContact CZ-CD2 4.33Å; I510-L512 PolarHBondContact O-N 2.99Å; L512-W517 HydrophobicContact CD1-CD2 3.94Å; L512-W517 HydrophobicContact CD1-CE3 4.1Å; L512-W517 HydrophobicContact CD1-CG 4.36Å; L512-W517 HydrophobicContact CD1-CZ2 4.35Å; L512-W517 HydrophobicContact CD1-CZ3 4.4Å; L512-W517 HydrophobicContact CD2-CB 3.94Å; L512-W517 HydrophobicContact CD2-CD2 4.2Å; L512-W517 HydrophobicContact CD2-CG 3.74Å; L512-Y866 HydrophobicContact CB-CE1 4.25Å; L512-Y866 HydrophobicContact CD1-CD1 3.54Å; L512-Y866 HydrophobicContact CD1-CE1 4.07Å
513	K	96	Very high	93	Very high	161 Å²	161	62.7 Å²	62.7	70%	0.7	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-78.4	154.4	169.2	-67.1	-177.6	-179.4	-174.4	0	110.4	G515 S516 Y866	K513-G515 PolarHBondContact O-N 3.43Å; K513-S516 WeakPolarHBondContact CB-O 3.35Å; K513-Y866 PolarHBondContact O-OH 3.36Å
514	A	94.4	Very high	92.9	Very high	37 Å²	37	65.4 Å²	65.4	31%	0.306	33%	0.334	S	S	.	.	S	Bend	trans	-62.3	125.6	175.4	0	0	0	0	0	110.5	P499 S516 P810 Y866	P499-A514 HydrophobicContact CG-CB 3.9Å; A514-S516 VanDerWaalsContact C-N 3.29Å; A514-S516 PolarHBondContact O-N 3.46Å; A514-P810 HydrophobicContact CB-CB 4.13Å; A514-P810 HydrophobicContact CB-CG 4.23Å; A514-Y866 WeakPolarHBondContact CA-OH 3.23Å
515	G	93.3	Very high	93	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.01	33%	0.334	C	S	.	.	S	Bend	trans	79.2	-36.9	173.6	0	0	0	0	0	117.4	K513 Y866 R873 S874	K513-G515 PolarHBondContact O-N 3.43Å; G515-Y866 PolarHBondContact N-OH 3.22Å; G515-Y866 VanDerWaalsContact N-OH 3.17Å; G515-R873 CarbonylContact O-C 3.33Å; G515-R873 VanDerWaalsContact O-CA 3.24Å; G515-R873 WeakPolarHBondContact O-CA 3.3Å; G515-R873 WeakPolarHBondContact O-CB 3.48Å; G515-S874 PolarHBondContact O-N 2.81Å
516	S	95	Very high	93	Very high	32 Å²	32	61 Å²	61	22%	0.224	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-152	149.5	-179.4	65.5	0	0	0	0	114.4	K513 A514 E832	K513-S516 WeakPolarHBondContact CB-O 3.35Å; A514-S516 VanDerWaalsContact C-N 3.29Å; A514-S516 PolarHBondContact O-N 3.46Å; S516-E832 PolarHBondContact OG-OE2 3.48Å
517	W	95.1	Very high	93	Very high	22 Å²	22	59.9 Å²	59.9	8%	0.083	31%	0.307	C	S	.	.			trans	-148.1	171.3	178.5	61.5	98.9	0	0	0	111.6	F504 L512 W651 Y866 S872	F504-W517 AromaticContact CZ-CD1 3.91Å; L512-W517 HydrophobicContact CD1-CD2 3.94Å; L512-W517 HydrophobicContact CD1-CE3 4.1Å; L512-W517 HydrophobicContact CD1-CG 4.36Å; L512-W517 HydrophobicContact CD1-CZ2 4.35Å; L512-W517 HydrophobicContact CD1-CZ3 4.4Å; L512-W517 HydrophobicContact CD2-CB 3.94Å; L512-W517 HydrophobicContact CD2-CD2 4.2Å; L512-W517 HydrophobicContact CD2-CG 3.74Å; W517-W651 HydrophobicContact CH2-CZ2 4.39Å; W517-W651 HydrophobicContact CZ2-CD2 4.43Å; W517-W651 AromaticContact CZ2-CE2 3.67Å; W517-W651 AromaticContact CZ2-CH2 3.98Å; W517-W651 HydrophobicContact CZ2-CH2 3.98Å; W517-W651 AromaticContact CZ2-CZ2 3.46Å; W517-W651 HydrophobicContact CZ2-CZ2 3.46Å; W517-W651 VanDerWaalsContact CZ2-CZ2 3.46Å; W517-W651 AromaticContact CZ2-NE1 3.95Å; W517-Y866 AromaticContact CE3-CD1 3.92Å; W517-Y866 HydrophobicContact CE3-CD1 3.92Å; W517-Y866 AromaticContact CE3-CE1 3.91Å; W517-Y866 HydrophobicContact CE3-CE1 3.91Å; W517-Y866 AromaticContact CH2-CD1 3.54Å; W517-Y866 HydrophobicContact CH2-CD1 3.54Å; W517-Y866 HydrophobicContact CH2-CE1 4.26Å; W517-Y866 HydrophobicContact CH2-CG 4.22Å; W517-Y866 HydrophobicContact CZ2-CD1 4.44Å; W517-Y866 AromaticContact CZ3-CD1 3.2Å; W517-Y866 HydrophobicContact CZ3-CD1 3.2Å; W517-Y866 AromaticContact CZ3-CE1 3.45Å; W517-Y866 HydrophobicContact CZ3-CE1 3.45Å; W517-Y866 VanDerWaalsContact CZ3-CE1 3.45Å; W517-Y866 HydrophobicContact CZ3-CG 4.21Å; W517-S872 PolarHBondContact N-O 3.41Å; W517-S872 WeakPolarHBondContact O-CB 3.41Å
518	N	92.6	Very high	93.1	Very high	152 Å²	152	59.9 Å²	59.9	81%	0.813	30%	0.296	S	S	*	.			trans	-97.3	136.6	171.6	-68.7	-33.5	0	0	0	109.5	P520	N518-P520 WeakPolarHBondContact O-CD 3.49Å
519	T	93.2	Very high	92.7	Very high	18 Å²	18	57.1 Å²	57.1	11%	0.11	30%	0.295	C	S	.	.			trans	-94.5	108.4	170.7	-60.4	0	0	0	0	108.3	F504 D521 F522 F563 L640 W651 S872	F504-T519 HydrophobicContact CD1-CG2 4.08Å; F504-T519 HydrophobicContact CE1-CG2 3.91Å; T519-D521 VanDerWaalsContact CG2-O 3.27Å; T519-D521 WeakPolarHBondContact CG2-O 3.22Å; T519-F522 HydrophobicContact CG2-CD1 3.99Å; T519-F522 HydrophobicContact CG2-CE1 4.09Å; T519-F563 HydrophobicContact CG2-CE1 4.18Å; T519-F563 WeakPolarHBondContact O-CE1 3.39Å; T519-L640 HydrophobicContact CG2-CD2 4.31Å; T519-W651 HydrophobicContact CG2-CE3 4.28Å; T519-W651 HydrophobicContact CG2-CZ3 4.46Å; T519-W651 WeakPolarHBondContact OG1-CZ3 3.33Å; T519-S872 PolarHBondContact OG1-OG 3.41Å
520	P	91.6	Very high	92.5	Very high	37 Å²	37	56.9 Å²	56.9	24%	0.24	30%	0.301	C	S	.	.			trans	-73.2	-41.7	-178.7	27.4	-32.9	0	0	0	112.6	F504 N518	F504-P520 HydrophobicContact CB-CG 4.39Å; F504-P520 HydrophobicContact CD1-CG 4.39Å; F504-P520 HydrophobicContact CD2-CG 4.23Å; F504-P520 HydrophobicContact CG-CG 4.1Å; N518-P520 WeakPolarHBondContact O-CD 3.49Å
521	D	92.5	Very high	92.4	Very high	23 Å²	23	56.2 Å²	56.2	12%	0.123	31%	0.306	C	S	.	.	S	Bend	trans	-153.4	168.7	-176.2	43.6	58.2	0	0	0	108.6	F504 N505 R506 T519	F504-D521 WeakPolarHBondContact CB-OD1 3.4Å; F504-D521 WeakPolarHBondContact CD1-O 3.46Å; N505-D521 HydrophobicContact CB-CB 4.19Å; N505-D521 WeakPolarHBondContact CB-OD1 3.31Å; N505-D521 PolarHBondContact N-OD1 2.93Å; R506-D521 IonicContact CZ-OD2 3.63Å; R506-D521 IonicContact NE-OD2 3.75Å; R506-D521 PolarHBondContact NE-OD2 2.91Å; R506-D521 IonicContact NH2-OD2 2.58Å; T519-D521 VanDerWaalsContact CG2-O 3.27Å; T519-D521 WeakPolarHBondContact CG2-O 3.22Å
522	F	96.1	Very high	92.4	Very high	1 Å²	1	51.4 Å²	51.4	0%	0.004	28%	0.283	C	S	.	.			trans	-95.7	130.2	176.5	-64.7	-23.7	0	0	0	110.8	N505 T519 E524 P525 F563 V565 L639 L640 N643 N650	N505-F522 WeakPolarHBondContact CB-O 3.19Å; T519-F522 HydrophobicContact CG2-CD1 3.99Å; T519-F522 HydrophobicContact CG2-CE1 4.09Å; F522-E524 VanDerWaalsContact C-N 3.34Å; F522-E524 PolarHBondContact O-N 2.69Å; F522-P525 HydrophobicContact CB-CG 4.32Å; F522-P525 WeakPolarHBondContact O-CD 3.27Å; F522-F563 HydrophobicContact CD1-CB 4.25Å; F522-F563 AromaticContact CD1-CD1 3.7Å; F522-F563 HydrophobicContact CD1-CD1 3.7Å; F522-F563 HydrophobicContact CD1-CE1 4.46Å; F522-F563 HydrophobicContact CD1-CG 4.27Å; F522-F563 HydrophobicContact CD2-CB 3.57Å; F522-F563 HydrophobicContact CD2-CG 4.33Å; F522-F563 HydrophobicContact CE1-CB 4.17Å; F522-F563 AromaticContact CE1-CD1 3.44Å; F522-F563 HydrophobicContact CE1-CD1 3.44Å; F522-F563 VanDerWaalsContact CE1-CD1 3.44Å; F522-F563 AromaticContact CE1-CE1 3.96Å; F522-F563 HydrophobicContact CE1-CE1 3.96Å; F522-F563 AromaticContact CE1-CG 3.87Å; F522-F563 HydrophobicContact CE1-CG 3.87Å; F522-F563 HydrophobicContact CE2-CB 3.5Å; F522-F563 VanDerWaalsContact CE2-CB 3.5Å; F522-F563 HydrophobicContact CE2-CD1 4.33Å; F522-F563 AromaticContact CE2-CG 3.95Å; F522-F563 HydrophobicContact CE2-CG 3.95Å; F522-F563 HydrophobicContact CG-CB 3.95Å; F522-F563 HydrophobicContact CG-CD1 4.24Å; F522-F563 HydrophobicContact CG-CG 4.47Å; F522-F563 HydrophobicContact CZ-CB 3.82Å; F522-F563 AromaticContact CZ-CD1 3.79Å; F522-F563 HydrophobicContact CZ-CD1 3.79Å; F522-F563 HydrophobicContact CZ-CD2 4.28Å; F522-F563 HydrophobicContact CZ-CE1 4.44Å; F522-F563 AromaticContact CZ-CG 3.71Å; F522-F563 HydrophobicContact CZ-CG 3.71Å; F522-V565 HydrophobicContact CD2-CG2 3.89Å; F522-V565 HydrophobicContact CE2-CG2 4.07Å; F522-L639 HydrophobicContact CE2-CB 4.19Å; F522-L639 HydrophobicContact CZ-CB 3.86Å; F522-L640 HydrophobicContact CE1-CD2 3.78Å; F522-L640 HydrophobicContact CZ-CD2 4.42Å; F522-N643 HydrophobicContact CD2-CB 3.72Å; F522-N643 WeakPolarHBondContact CD2-ND2 3.33Å; F522-N643 HydrophobicContact CE2-CB 3.54Å; F522-N643 HydrophobicContact CZ-CB 4.21Å; F522-N650 WeakPolarHBondContact CA-O 3.39Å; F522-N650 HydrophobicContact CD1-CB 4.02Å; F522-N650 HydrophobicContact CE1-CB 4.41Å
523	H	95.9	Very high	92.3	Very high	57 Å²	57	53.1 Å²	53.1	26%	0.264	30%	0.295	S	S	.	.	S	Bend	trans	-50.2	-51.1	176.2	178.5	70.5	0	0	0	113.3	F504 V649 N650 I652	F504-H523 PolarHBondContact O-ND1 3.12Å; H523-V649 PolarHBondContact N-O 3.11Å; H523-N650 PolarHBondContact N-O 2.95Å; H523-I652 VanDerWaalsContact CD2-CD1 3.49Å; H523-I652 WeakPolarHBondContact CD2-CD1 3.4Å; H523-I652 WeakPolarHBondContact NE2-CD1 3.29Å
524	E	95	Very high	92.4	Very high	91 Å²	91	45.6 Å²	45.6	43%	0.425	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-127.3	97.6	173.2	-169.3	-176.4	162.4	0	0	108.6	F522 N643 G648 V649	F522-E524 VanDerWaalsContact C-N 3.34Å; F522-E524 PolarHBondContact O-N 2.69Å; E524-N643 PolarHBondContact O-ND2 3.45Å; E524-G648 CarbonylContact O-C 3.48Å; E524-G648 WeakPolarHBondContact O-CA 3.38Å; E524-V649 HydrophobicContact CB-CB 3.99Å; E524-V649 HydrophobicContact CB-CG2 4.47Å; E524-V649 PolarHBondContact N-O 3.09Å; E524-V649 PolarHBondContact O-N 2.93Å
525	P	95.3	Very high	92.6	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.013	25%	0.247	C	C	.	.			trans	-65.5	135	172.7	-18.2	31.1	0	0	0	110.6	F522 R527 H528 G564 V565	F522-P525 HydrophobicContact CB-CG 4.32Å; F522-P525 WeakPolarHBondContact O-CD 3.27Å; P525-R527 PolarHBondContact O-N 2.97Å; P525-H528 PolarHBondContact O-N 2.95Å; P525-G564 WeakPolarHBondContact CB-O 3.47Å; P525-V565 HydrophobicContact CB-CG2 4Å
526	A	91.9	Very high	92.8	Very high	2 Å²	2	43.8 Å²	43.8	2%	0.017	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	134.9	179.9	0	0	0	0	0	112.1	H528 N643 L646	A526-H528 VanDerWaalsContact C-N 3.31Å; A526-H528 PolarHBondContact O-N 3.48Å; A526-N643 WeakPolarHBondContact CB-OD1 3.41Å; A526-N643 PolarHBondContact N-OD1 3.5Å; A526-L646 HydrophobicContact CB-CB 3.33Å; A526-L646 HydrophobicContact CB-CD1 4.3Å; A526-L646 HydrophobicContact CB-CG 4.47Å
527	R	86.1	Confident	92.9	Very high	109 Å²	109	42.2 Å²	42.2	41%	0.411	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	50.2	-175.5	-64.3	-170.8	171.1	-174.5	0.7	112.1	P525 G529 V530 I532 N594	P525-R527 PolarHBondContact O-N 2.97Å; R527-G529 PolarHBondContact O-N 2.83Å; R527-V530 HydrophobicContact CB-CB 4.31Å; R527-V530 WeakPolarHBondContact O-CA 3.44Å; R527-V530 PolarHBondContact O-N 2.98Å; R527-I532 HydrophobicContact CB-CD1 4.19Å; R527-I532 HydrophobicContact CB-CG1 4.13Å; R527-I532 HydrophobicContact CG-CD1 4.37Å; R527-I532 HydrophobicContact CG-CG1 4.44Å; R527-N594 PolarHBondContact NH1-OD1 3.45Å; R527-N594 VanDerWaalsContact NH2-CG 3.28Å; R527-N594 PolarHBondContact NH2-ND2 2.69Å
528	H	78.1	Confident	93.1	Very high	126 Å²	126	41.2 Å²	41.2	58%	0.583	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-41.8	121.1	-176	-167.1	76.4	0	0	0	113.1	P525 A526 V530	P525-H528 PolarHBondContact O-N 2.95Å; A526-H528 VanDerWaalsContact C-N 3.31Å; A526-H528 PolarHBondContact O-N 3.48Å; H528-V530 PolarHBondContact O-N 2.73Å
529	G	81.3	Confident	93.3	Very high	57 Å²	57	34 Å²	34	59%	0.588	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.5	-5.5	-179.5	0	0	0	0	0	116.4	R527	R527-G529 PolarHBondContact O-N 2.83Å
530	V	91	Very high	93.5	Very high	88 Å²	88	34.2 Å²	34.2	53%	0.533	20%	0.196	S	C	.	.	S	Bend	trans	-109.4	121.7	-178.5	-178.1	0	0	0	0	110.1	R527 H528 I532	R527-V530 HydrophobicContact CB-CB 4.31Å; R527-V530 WeakPolarHBondContact O-CA 3.44Å; R527-V530 PolarHBondContact O-N 2.98Å; H528-V530 PolarHBondContact O-N 2.73Å; V530-I532 PolarHBondContact O-N 2.83Å
531	A	93.7	Very high	93.5	Very high	54 Å²	54	35.3 Å²	35.3	45%	0.446	20%	0.2	S	C	.	.			trans	-60.6	127.9	176.6	0	0	0	0	0	111	P533 F566	A531-P533 VanDerWaalsContact O-CD 3.3Å; A531-P533 WeakPolarHBondContact O-CD 3.09Å; A531-F566 CarbonylContact C-O 3.51Å; A531-F566 WeakPolarHBondContact CA-O 3.45Å
532	I	94.8	Very high	93.5	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-87.4	114.2	179.2	-49.1	-172	0	0	0	108.7	R527 V530 W534 V565 F566 L567 S568 N594 F595 L646	R527-I532 HydrophobicContact CB-CD1 4.19Å; R527-I532 HydrophobicContact CB-CG1 4.13Å; R527-I532 HydrophobicContact CG-CD1 4.37Å; R527-I532 HydrophobicContact CG-CG1 4.44Å; V530-I532 PolarHBondContact O-N 2.83Å; I532-W534 PolarHBondContact O-N 2.97Å; I532-V565 HydrophobicContact CD1-CG1 4.16Å; I532-F566 WeakPolarHBondContact CG1-O 3.49Å; I532-F566 PolarHBondContact N-O 2.81Å; I532-L567 HydrophobicContact CB-CD2 4.08Å; I532-S568 PolarHBondContact O-N 3.09Å; I532-S568 PolarHBondContact O-OG 2.9Å; I532-N594 HydrophobicContact CG2-CB 4.31Å; I532-F595 HydrophobicContact CG2-CB 4.2Å; I532-L646 HydrophobicContact CD1-CD1 3.78Å
533	P	95.9	Very high	93.3	Very high	46 Å²	46	42 Å²	42	30%	0.299	24%	0.243	S	C	.	.			trans	-65	127.5	171.9	-16.8	31	0	0	0	109.8	A531 G592 N594 F595	A531-P533 VanDerWaalsContact O-CD 3.3Å; A531-P533 WeakPolarHBondContact O-CD 3.09Å; P533-G592 WeakPolarHBondContact CB-O 3.44Å; P533-N594 WeakPolarHBondContact CD-OD1 3.41Å; P533-N594 PolarHBondContact O-N 3.17Å; P533-F595 PolarHBondContact O-N 3.31Å
534	W	97.4	Very high	93	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.008	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	167.6	-173.2	73.4	-65.3	0	0	0	112.9	I532 I536 V552 L556 P557 L567 S568 P571 L572 C593 F595 M597	I532-W534 PolarHBondContact O-N 2.97Å; W534-I536 HydrophobicContact CE3-CG1 4.23Å; W534-I536 HydrophobicContact CH2-CD1 3.93Å; W534-I536 HydrophobicContact CH2-CG1 4.05Å; W534-I536 HydrophobicContact CZ3-CD1 3.95Å; W534-I536 HydrophobicContact CZ3-CG1 3.55Å; W534-V552 HydrophobicContact CH2-CG1 3.94Å; W534-V552 HydrophobicContact CZ3-CG1 3.88Å; W534-L556 HydrophobicContact CE3-CD2 4.35Å; W534-L556 HydrophobicContact CH2-CD2 3.93Å; W534-L556 HydrophobicContact CZ3-CD2 3.7Å; W534-P557 HydrophobicContact CZ2-CG 3.87Å; W534-L567 HydrophobicContact CD2-CD1 4.29Å; W534-L567 HydrophobicContact CG-CD2 4.46Å; W534-L567 HydrophobicContact CZ2-CD1 4.32Å; W534-S568 VanDerWaalsContact CD1-OG 3.28Å; W534-S568 PolarHBondContact NE1-O 2.95Å; W534-P571 HydrophobicContact CD2-CB 3.91Å; W534-P571 HydrophobicContact CE3-CB 4.25Å; W534-P571 HydrophobicContact CG-CB 4.48Å; W534-P571 HydrophobicContact CH2-CB 4.09Å; W534-P571 HydrophobicContact CH2-CG 4.11Å; W534-P571 HydrophobicContact CZ2-CB 3.72Å; W534-P571 HydrophobicContact CZ2-CG 3.73Å; W534-P571 HydrophobicContact CZ3-CB 4.33Å; W534-P571 VanDerWaalsContact O-CA 3.3Å; W534-P571 WeakPolarHBondContact O-CA 3.22Å; W534-L572 PolarHBondContact O-N 3.3Å; W534-L572 VanDerWaalsContact O-N 3.17Å; W534-C593 VanDerWaalsContact C-SG 3.53Å; W534-F595 CarbonylContact C-O 3.54Å; W534-F595 WeakPolarHBondContact CA-O 3.37Å; W534-F595 HydrophobicContact CB-CB 4.05Å; W534-F595 HydrophobicContact CB-CD1 3.66Å; W534-F595 HydrophobicContact CB-CG 4.28Å; W534-F595 WeakPolarHBondContact CB-O 3.44Å; W534-F595 HydrophobicContact CE3-CD1 4.28Å; W534-F595 HydrophobicContact CE3-CE1 4.09Å; W534-F595 HydrophobicContact CG-CD1 4.34Å; W534-M597 HydrophobicContact CE3-CB 4.39Å; W534-M597 HydrophobicContact CZ3-CB 4.21Å
535	G	98.2	Very high	92.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	169.1	174.5	0	0	0	0	0	113.5	L572 F595 I596 M597	G535-L572 CarbonylContact C-O 3.57Å; G535-L572 WeakPolarHBondContact CA-O 3.29Å; G535-F595 PolarHBondContact N-O 3.08Å; G535-I596 WeakPolarHBondContact O-CA 3.24Å; G535-M597 PolarHBondContact O-N 3.24Å
536	I	98.3	Very high	92.9	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.3	178.6	-55.1	169.2	0	0	0	108.2	W534 V549 V552 T553 P571 L572 I573 S574 M597 I599	W534-I536 HydrophobicContact CE3-CG1 4.23Å; W534-I536 HydrophobicContact CH2-CD1 3.93Å; W534-I536 HydrophobicContact CH2-CG1 4.05Å; W534-I536 HydrophobicContact CZ3-CD1 3.95Å; W534-I536 HydrophobicContact CZ3-CG1 3.55Å; I536-V549 HydrophobicContact CD1-CG1 4.19Å; I536-V549 HydrophobicContact CG2-CG2 4.07Å; I536-V552 HydrophobicContact CD1-CB 4.05Å; I536-V552 HydrophobicContact CD1-CG1 3.61Å; I536-V552 HydrophobicContact CG1-CG1 4Å; I536-T553 WeakPolarHBondContact CD1-OG1 3.47Å; I536-P571 HydrophobicContact CD1-CB 4.38Å; I536-P571 HydrophobicContact CD1-CG 4.13Å; I536-P571 HydrophobicContact CG1-CB 4.3Å; I536-L572 PolarHBondContact N-O 3.07Å; I536-I573 HydrophobicContact CB-CG1 4.45Å; I536-I573 HydrophobicContact CD1-CG1 4.4Å; I536-I573 WeakPolarHBondContact O-CA 3.33Å; I536-S574 PolarHBondContact O-N 3.14Å; I536-M597 CarbonylContact C-O 3.49Å; I536-M597 VanDerWaalsContact CA-O 3.29Å; I536-M597 WeakPolarHBondContact CA-O 3.07Å; I536-M597 HydrophobicContact CG1-CB 4.47Å; I536-I599 HydrophobicContact CG2-CD1 3.73Å; I536-I599 HydrophobicContact CG2-CG1 4.08Å
537	L	98.2	Very high	93.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	116.5	176.9	-171.8	61.9	0	0	0	110.5	V539 S574 C576 L581 K584 F585 F588 I596 M597 L598 I599	L537-V539 HydrophobicContact CD2-CG2 4.35Å; L537-V539 HydrophobicContact CG-CG2 4.01Å; L537-S574 WeakPolarHBondContact CA-O 3.16Å; L537-C576 HydrophobicContact CD1-CB 4.48Å; L537-L581 HydrophobicContact CD2-CD2 3.95Å; L537-K584 HydrophobicContact CD1-CB 4.35Å; L537-K584 HydrophobicContact CD1-CG 4.48Å; L537-K584 HydrophobicContact CD2-CB 4.23Å; L537-F585 HydrophobicContact CD2-CD2 4.34Å; L537-F585 HydrophobicContact CD2-CE2 4.1Å; L537-F588 HydrophobicContact CB-CZ 4.5Å; L537-F588 HydrophobicContact CD1-CZ 4.38Å; L537-I596 HydrophobicContact CB-CG2 3.92Å; L537-M597 PolarHBondContact N-O 2.74Å; L537-L598 HydrophobicContact CB-CD2 4.33Å; L537-L598 HydrophobicContact CB-CG 4.32Å; L537-L598 HydrophobicContact CD2-CD2 4.09Å; L537-L598 HydrophobicContact CG-CD2 4.5Å; L537-L598 CarbonylContact O-C 3.56Å; L537-L598 VanDerWaalsContact O-CA 3.27Å; L537-L598 WeakPolarHBondContact O-CA 3.34Å; L537-I599 PolarHBondContact O-N 3.42Å
538	C	98.4	Very high	93.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	130.9	175.6	-63.1	0	0	0	0	110.8	V549 S574 Q575 C576 I599 Y601	C538-V549 WeakPolarHBondContact SG-CG2 3.32Å; C538-S574 PolarHBondContact N-O 3.1Å; C538-S574 VanDerWaalsContact N-O 3.08Å; C538-Q575 HydrophobicContact CB-CB 4.14Å; C538-Q575 HydrophobicContact CB-CG 3.85Å; C538-Q575 WeakPolarHBondContact O-CA 3.49Å; C538-C576 PolarHBondContact O-N 3.45Å; C538-C576 VanDerWaalsContact O-N 3.12Å; C538-I599 WeakPolarHBondContact CA-O 3.43Å; C538-Y601 HydrophobicContact CB-CE2 4.05Å
539	V	97.1	Very high	94.5	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	125.7	-176.1	-166.6	0	0	0	0	111.6	L537 V578 L581 L598 I599 L600 Y601 A605	L537-V539 HydrophobicContact CD2-CG2 4.35Å; L537-V539 HydrophobicContact CG-CG2 4.01Å; V539-V578 HydrophobicContact CG1-CG2 4.17Å; V539-L581 HydrophobicContact CG1-CD2 4.35Å; V539-L581 HydrophobicContact CG2-CD2 3.84Å; V539-L598 HydrophobicContact CG2-CD2 4.21Å; V539-I599 PolarHBondContact N-O 3.43Å; V539-L600 HydrophobicContact CB-CD2 4.06Å; V539-L600 WeakPolarHBondContact O-CA 3.18Å; V539-Y601 PolarHBondContact O-N 3.36Å; V539-A605 HydrophobicContact CB-CB 4.34Å; V539-A605 HydrophobicContact CG1-CB 3.55Å
540	P	96.1	Very high	95.2	Very high	24 Å²	24	46.7 Å²	46.7	16%	0.156	26%	0.256	C	S	.	.	S	Bend	cis	-65.8	-176.4	-18.3	30.9	-37.3	0	0	0	111.3	N542 C576 Y577 D602	P540-N542 PolarHBondContact O-N 3.31Å; P540-C576 CarbonylContact C-O 3.45Å; P540-C576 VanDerWaalsContact CA-O 3.31Å; P540-C576 WeakPolarHBondContact CA-O 3.31Å; P540-Y577 HydrophobicContact CB-CD1 3.89Å; P540-Y577 HydrophobicContact CB-CE1 4.25Å; P540-D602 WeakPolarHBondContact CD-OD2 3.4Å; P540-D602 WeakPolarHBondContact CG-OD2 3.5Å
541	N	92.4	Very high	95.4	Very high	60 Å²	60	45 Å²	45	32%	0.321	24%	0.241	S	C	.	.			trans	-51.2	129.9	167.1	-68.4	-3.1	0	0	0	110.1	Q575 C576 Y577	N541-Q575 WeakPolarHBondContact OD1-CB 3.48Å; N541-C576 PolarHBondContact N-O 2.91Å; N541-C576 VanDerWaalsContact OD1-CA 3.26Å; N541-C576 WeakPolarHBondContact OD1-CA 3.26Å; N541-C576 PolarHBondContact OD1-N 3.44Å; N541-Y577 HydrophobicContact CB-CE1 4.47Å; N541-Y577 WeakPolarHBondContact ND2-CE2 3.47Å
542	N	93.4	Very high	95.6	Very high	37 Å²	37	42.4 Å²	42.4	20%	0.198	22%	0.22	C	C	.	.			trans	-142.3	127.9	-179.1	-165.3	-63.8	0	0	0	110.5	P540 R544 S545 Y601	P540-N542 PolarHBondContact O-N 3.31Å; N542-R544 PolarHBondContact O-N 3.47Å; N542-R544 VanDerWaalsContact O-N 3.11Å; N542-R544 VanDerWaalsContact OD1-CB 3.32Å; N542-R544 WeakPolarHBondContact OD1-CB 3.25Å; N542-R544 PolarHBondContact OD1-N 3.48Å; N542-S545 WeakPolarHBondContact O-CB 3.38Å; N542-S545 PolarHBondContact O-N 2.97Å; N542-S545 PolarHBondContact O-OG 2.83Å; N542-Y601 HydrophobicContact CB-CD1 3.91Å; N542-Y601 HydrophobicContact CB-CD2 3.39Å; N542-Y601 HydrophobicContact CB-CE1 4.07Å; N542-Y601 HydrophobicContact CB-CE2 3.57Å; N542-Y601 HydrophobicContact CB-CG 3.58Å; N542-Y601 WeakPolarHBondContact ND2-CD1 3.26Å
543	P	91	Very high	95.7	Very high	128 Å²	128	44.1 Å²	44.1	83%	0.831	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-28.6	179.1	-26.8	35	0	0	0	114.4	S545	P543-S545 PolarHBondContact O-N 3.29Å
544	R	88.8	Confident	95.6	Very high	189 Å²	189	45.7 Å²	45.7	71%	0.713	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-14.4	179.6	-62.6	180	176.6	159.2	-1	113.7	N542 K546 G547	N542-R544 PolarHBondContact O-N 3.47Å; N542-R544 VanDerWaalsContact O-N 3.11Å; N542-R544 VanDerWaalsContact OD1-CB 3.32Å; N542-R544 WeakPolarHBondContact OD1-CB 3.25Å; N542-R544 PolarHBondContact OD1-N 3.48Å; R544-K546 PolarHBondContact O-N 3.19Å; R544-K546 VanDerWaalsContact O-N 3.14Å; R544-G547 PolarHBondContact O-N 2.9Å
545	S	94.6	Very high	95.6	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.028	26%	0.255	C	S	.	.	H	α-helix	trans	-57.3	-28.7	-176.8	57.9	0	0	0	0	114.9	N542 P543 G547 D548 V549 Q575 Y601	N542-S545 WeakPolarHBondContact O-CB 3.38Å; N542-S545 PolarHBondContact O-N 2.97Å; N542-S545 PolarHBondContact O-OG 2.83Å; P543-S545 PolarHBondContact O-N 3.29Å; S545-G547 VanDerWaalsContact C-N 3.32Å; S545-G547 PolarHBondContact O-N 3.12Å; S545-D548 PolarHBondContact O-N 3.22Å; S545-D548 VanDerWaalsContact O-N 3.17Å; S545-V549 VanDerWaalsContact O-CB 3.28Å; S545-V549 WeakPolarHBondContact O-CB 3.36Å; S545-V549 WeakPolarHBondContact O-CG2 3.46Å; S545-V549 PolarHBondContact O-N 3.32Å; S545-Q575 PolarHBondContact OG-NE2 2.96Å; S545-Q575 PolarHBondContact OG-OE1 2.84Å; S545-Y601 WeakPolarHBondContact CA-OH 3.18Å; S545-Y601 WeakPolarHBondContact CB-OH 3.47Å
546	K	94.9	Very high	95.5	Very high	165 Å²	165	49.8 Å²	49.8	72%	0.717	26%	0.255	S	S	*	.	H	α-helix	trans	-54	-49.1	-179.9	-172.8	178.7	178.1	-178.3	0	111.9	R544 E550	R544-K546 PolarHBondContact O-N 3.19Å; R544-K546 VanDerWaalsContact O-N 3.14Å; K546-E550 WeakPolarHBondContact O-CB 3.11Å; K546-E550 PolarHBondContact O-N 2.99Å
547	G	95.2	Very high	95.4	Very high	41 Å²	41	51.1 Å²	51.1	42%	0.423	26%	0.264	S	S	.	.	H	α-helix	trans	-70.2	-36.9	179	0	0	0	0	0	113.1	R544 S545 K551	R544-G547 PolarHBondContact O-N 2.9Å; S545-G547 VanDerWaalsContact C-N 3.32Å; S545-G547 PolarHBondContact O-N 3.12Å; G547-K551 WeakPolarHBondContact O-CB 3.3Å; G547-K551 PolarHBondContact O-N 3.12Å
548	D	96.7	Very high	95.2	Very high	18 Å²	18	58.5 Å²	58.5	10%	0.096	30%	0.296	C	S	.	.	H	α-helix	trans	-66.2	-43.2	176.8	-67.6	-30.6	0	0	0	111.7	S545 K551 V552 I599 Y601 L629	S545-D548 PolarHBondContact O-N 3.22Å; S545-D548 VanDerWaalsContact O-N 3.17Å; D548-K551 PolarHBondContact O-N 3.08Å; D548-V552 VanDerWaalsContact O-CG2 3.28Å; D548-V552 WeakPolarHBondContact O-CG2 3.44Å; D548-V552 PolarHBondContact O-N 3.47Å; D548-I599 HydrophobicContact CB-CD1 4.06Å; D548-I599 HydrophobicContact CB-CG2 4.34Å; D548-Y601 VanDerWaalsContact OD2-CE1 3.31Å; D548-Y601 WeakPolarHBondContact OD2-CE1 3.25Å; D548-Y601 PolarHBondContact OD2-OH 3.46Å; D548-L629 HydrophobicContact CB-CD1 3.78Å
549	V	97.4	Very high	95.1	Very high	12 Å²	12	59.4 Å²	59.4	7%	0.073	30%	0.303	C	S	.	.	H	α-helix	trans	-65.7	-45.2	177.6	169.8	0	0	0	0	110.8	I536 C538 S545 K551 V552 T553 I573 I599	I536-V549 HydrophobicContact CD1-CG1 4.19Å; I536-V549 HydrophobicContact CG2-CG2 4.07Å; C538-V549 WeakPolarHBondContact SG-CG2 3.32Å; S545-V549 VanDerWaalsContact O-CB 3.28Å; S545-V549 WeakPolarHBondContact O-CB 3.36Å; S545-V549 WeakPolarHBondContact O-CG2 3.46Å; S545-V549 PolarHBondContact O-N 3.32Å; V549-K551 VanDerWaalsContact C-N 3.33Å; V549-K551 PolarHBondContact O-N 3.31Å; V549-V552 PolarHBondContact O-N 2.84Å; V549-T553 VanDerWaalsContact O-CB 3.31Å; V549-T553 WeakPolarHBondContact O-CB 3.34Å; V549-T553 PolarHBondContact O-N 3.04Å; V549-T553 PolarHBondContact O-OG1 3.47Å; V549-I573 HydrophobicContact CG1-CD1 3.76Å; V549-I573 HydrophobicContact CG1-CG1 4.18Å; V549-I573 HydrophobicContact CG1-CG2 3.75Å; V549-I599 HydrophobicContact CG2-CD1 4.08Å
550	E	96	Very high	95	Very high	113 Å²	113	59.4 Å²	59.4	53%	0.528	30%	0.303	S	S	.	.	H	α-helix	trans	-58.8	-46.6	176.1	-178.8	175.2	-171.9	0	0	110.9	K546 V552 T553 N554	K546-E550 WeakPolarHBondContact O-CB 3.11Å; K546-E550 PolarHBondContact O-N 2.99Å; E550-V552 PolarHBondContact O-N 2.71Å; E550-T553 PolarHBondContact O-N 2.96Å; E550-N554 WeakPolarHBondContact CG-ND2 3.15Å; E550-N554 WeakPolarHBondContact O-CB 3.38Å; E550-N554 VanDerWaalsContact O-CG 3.3Å; E550-N554 PolarHBondContact O-N 2.87Å; E550-N554 PolarHBondContact O-ND2 2.8Å
551	K	95.5	Very high	95	Very high	52 Å²	52	62.7 Å²	62.7	23%	0.226	32%	0.32	C	S	.	.	H	α-helix	trans	-57.9	-50.2	175.4	-177.8	169.4	-173.9	171	0	112	G547 D548 V549 T553 N554 E555 L629 F635	G547-K551 WeakPolarHBondContact O-CB 3.3Å; G547-K551 PolarHBondContact O-N 3.12Å; D548-K551 PolarHBondContact O-N 3.08Å; V549-K551 VanDerWaalsContact C-N 3.33Å; V549-K551 PolarHBondContact O-N 3.31Å; K551-T553 VanDerWaalsContact C-N 3.34Å; K551-T553 PolarHBondContact O-N 2.72Å; K551-N554 PolarHBondContact O-N 3.04Å; K551-E555 WeakPolarHBondContact CE-OE1 3.31Å; K551-E555 WeakPolarHBondContact CE-OE2 3.46Å; K551-E555 HydrophobicContact CG-CG 4.41Å; K551-E555 WeakPolarHBondContact O-CB 3.43Å; K551-E555 PolarHBondContact O-N 2.96Å; K551-L629 WeakPolarHBondContact CE-O 3.47Å; K551-L629 PolarHBondContact NZ-O 3.48Å; K551-F635 HydrophobicContact CG-CE2 4.16Å; K551-F635 HydrophobicContact CG-CZ 4.18Å
552	V	97.1	Very high	95	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-61.9	-43	179.1	171.7	0	0	0	0	111.1	W534 I536 D548 V549 E550 N554 L556 M597 I599 L629 F635	W534-V552 HydrophobicContact CH2-CG1 3.94Å; W534-V552 HydrophobicContact CZ3-CG1 3.88Å; I536-V552 HydrophobicContact CD1-CB 4.05Å; I536-V552 HydrophobicContact CD1-CG1 3.61Å; I536-V552 HydrophobicContact CG1-CG1 4Å; D548-V552 VanDerWaalsContact O-CG2 3.28Å; D548-V552 WeakPolarHBondContact O-CG2 3.44Å; D548-V552 PolarHBondContact O-N 3.47Å; V549-V552 PolarHBondContact O-N 2.84Å; E550-V552 PolarHBondContact O-N 2.71Å; V552-N554 VanDerWaalsContact C-N 3.33Å; V552-N554 PolarHBondContact O-N 3.49Å; V552-L556 HydrophobicContact CG1-CB 4.41Å; V552-L556 HydrophobicContact CG1-CD2 4.21Å; V552-L556 WeakPolarHBondContact O-CB 3.33Å; V552-L556 PolarHBondContact O-N 3.22Å; V552-M597 HydrophobicContact CG1-CG 4.03Å; V552-I599 HydrophobicContact CG2-CD1 4.04Å; V552-L629 HydrophobicContact CG2-CD1 3.84Å; V552-L629 HydrophobicContact CG2-CD2 3.86Å; V552-F635 HydrophobicContact CG2-CE1 4.1Å; V552-F635 HydrophobicContact CG2-CZ 4.1Å
553	T	97.2	Very high	95.1	Very high	35 Å²	35	67.6 Å²	67.6	22%	0.215	33%	0.331	C	S	.	.	H	α-helix	trans	-62.7	-39.7	179.8	-57	0	0	0	0	111.7	I536 V549 E550 K551 P557 P571	I536-T553 WeakPolarHBondContact CD1-OG1 3.47Å; V549-T553 VanDerWaalsContact O-CB 3.31Å; V549-T553 WeakPolarHBondContact O-CB 3.34Å; V549-T553 PolarHBondContact O-N 3.04Å; V549-T553 PolarHBondContact O-OG1 3.47Å; E550-T553 PolarHBondContact O-N 2.96Å; K551-T553 VanDerWaalsContact C-N 3.34Å; K551-T553 PolarHBondContact O-N 2.72Å; T553-P557 VanDerWaalsContact O-CD 3.28Å; T553-P557 WeakPolarHBondContact O-CD 3.45Å; T553-P557 WeakPolarHBondContact O-CG 3.35Å; T553-P571 HydrophobicContact CG2-CG 4.01Å
554	N	95	Very high	95.2	Very high	80 Å²	80	62.3 Å²	62.3	43%	0.428	30%	0.3	S	S	.	.	H	α-helix	trans	-87.4	-37.9	-174	-69.9	-24.9	0	0	0	113.9	E550 K551 V552 K558	E550-N554 WeakPolarHBondContact CG-ND2 3.15Å; E550-N554 WeakPolarHBondContact O-CB 3.38Å; E550-N554 VanDerWaalsContact O-CG 3.3Å; E550-N554 PolarHBondContact O-N 2.87Å; E550-N554 PolarHBondContact O-ND2 2.8Å; K551-N554 PolarHBondContact O-N 3.04Å; V552-N554 VanDerWaalsContact C-N 3.33Å; V552-N554 PolarHBondContact O-N 3.49Å; N554-K558 VanDerWaalsContact O-CD 3.26Å; N554-K558 WeakPolarHBondContact O-CD 3.32Å; N554-K558 VanDerWaalsContact O-CE 3.29Å; N554-K558 WeakPolarHBondContact O-CE 3.14Å; N554-K558 WeakPolarHBondContact O-CG 3.35Å
555	E	95.9	Very high	95.6	Very high	88 Å²	88	53.4 Å²	53.4	41%	0.411	27%	0.267	S	S	.	.	H	α-helix	trans	-99.3	-34.8	-170.1	-67.7	-178	-150.9	0	0	113.4	K551 K558 A559 F635	K551-E555 WeakPolarHBondContact CE-OE1 3.31Å; K551-E555 WeakPolarHBondContact CE-OE2 3.46Å; K551-E555 HydrophobicContact CG-CG 4.41Å; K551-E555 WeakPolarHBondContact O-CB 3.43Å; K551-E555 PolarHBondContact O-N 2.96Å; E555-K558 PolarHBondContact O-N 3.41Å; E555-A559 WeakPolarHBondContact O-CB 3.34Å; E555-A559 PolarHBondContact O-N 3.03Å; E555-F635 HydrophobicContact CB-CD2 3.65Å; E555-F635 HydrophobicContact CB-CE2 3.33Å; E555-F635 HydrophobicContact CB-CZ 4.22Å; E555-F635 HydrophobicContact CG-CE2 4.27Å; E555-F635 WeakPolarHBondContact OE2-CE2 3.11Å
556	L	96.8	Very high	95.6	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63	-48.4	-178	175.5	69.1	0	0	0	112.1	W534 V552 K558 A559 A560 L567 F595 M597 F635 L639	W534-L556 HydrophobicContact CE3-CD2 4.35Å; W534-L556 HydrophobicContact CH2-CD2 3.93Å; W534-L556 HydrophobicContact CZ3-CD2 3.7Å; V552-L556 HydrophobicContact CG1-CB 4.41Å; V552-L556 HydrophobicContact CG1-CD2 4.21Å; V552-L556 WeakPolarHBondContact O-CB 3.33Å; V552-L556 PolarHBondContact O-N 3.22Å; L556-K558 VanDerWaalsContact C-N 3.31Å; L556-K558 PolarHBondContact O-N 2.98Å; L556-A559 PolarHBondContact O-N 2.95Å; L556-A560 VanDerWaalsContact O-CB 3.31Å; L556-A560 WeakPolarHBondContact O-CB 3.31Å; L556-A560 PolarHBondContact O-N 3.41Å; L556-L567 HydrophobicContact CD2-CD1 3.78Å; L556-L567 HydrophobicContact CG-CD1 3.74Å; L556-F595 HydrophobicContact CD2-CE1 4.5Å; L556-M597 HydrophobicContact CD1-CE 4.37Å; L556-M597 HydrophobicContact CD2-CE 3.49Å; L556-M597 VanDerWaalsContact CD2-CE 3.49Å; L556-F635 HydrophobicContact CB-CD1 3.84Å; L556-F635 HydrophobicContact CB-CE1 3.91Å; L556-F635 HydrophobicContact CB-CG 4.38Å; L556-F635 HydrophobicContact CD1-CB 4.33Å; L556-F635 HydrophobicContact CD1-CD1 3.69Å; L556-F635 HydrophobicContact CD1-CE1 4.42Å; L556-F635 HydrophobicContact CD1-CG 4.31Å; L556-F635 HydrophobicContact CG-CD1 4.33Å; L556-L639 HydrophobicContact CD1-CD2 4.07Å; L556-L639 HydrophobicContact CD1-CG 4.26Å
557	P	95.9	Very high	95.6	Very high	28 Å²	28	49.7 Å²	49.7	18%	0.182	25%	0.251	C	S	.	.	H	α-helix	trans	-61.5	-38.1	178.6	-25.2	36.6	0	0	0	112.9	W534 T553 A560 N561 L567	W534-P557 HydrophobicContact CZ2-CG 3.87Å; T553-P557 VanDerWaalsContact O-CD 3.28Å; T553-P557 WeakPolarHBondContact O-CD 3.45Å; T553-P557 WeakPolarHBondContact O-CG 3.35Å; P557-A560 PolarHBondContact O-N 3.42Å; P557-N561 WeakPolarHBondContact O-CB 3.5Å; P557-N561 PolarHBondContact O-N 2.81Å; P557-L567 HydrophobicContact CB-CB 4.45Å; P557-L567 HydrophobicContact CG-CD1 4.48Å
558	K	94.9	Very high	95.6	Very high	155 Å²	155	49.2 Å²	49.2	67%	0.674	24%	0.241	S	C	*	.	H	α-helix	trans	-63.1	-45.9	176.6	-65.9	179.5	-174	176.9	0	111.3	N554 E555 L556 R562	N554-K558 VanDerWaalsContact O-CD 3.26Å; N554-K558 WeakPolarHBondContact O-CD 3.32Å; N554-K558 VanDerWaalsContact O-CE 3.29Å; N554-K558 WeakPolarHBondContact O-CE 3.14Å; N554-K558 WeakPolarHBondContact O-CG 3.35Å; E555-K558 PolarHBondContact O-N 3.41Å; L556-K558 VanDerWaalsContact C-N 3.31Å; L556-K558 PolarHBondContact O-N 2.98Å; K558-R562 PolarHBondContact O-N 2.97Å
559	A	95.2	Very high	95.3	Very high	18 Å²	18	55.8 Å²	55.8	15%	0.149	28%	0.276	C	S	.	.	H	α-helix	trans	-64.4	-43.3	175.7	0	0	0	0	0	111.4	E555 L556 N561 R562 F563 F635 L639	E555-A559 WeakPolarHBondContact O-CB 3.34Å; E555-A559 PolarHBondContact O-N 3.03Å; L556-A559 PolarHBondContact O-N 2.95Å; A559-N561 PolarHBondContact O-N 3.44Å; A559-R562 WeakPolarHBondContact O-CB 3.29Å; A559-R562 PolarHBondContact O-N 3.15Å; A559-F563 VanDerWaalsContact O-CD2 3.27Å; A559-F563 WeakPolarHBondContact O-CD2 3.31Å; A559-F635 HydrophobicContact CB-CB 3.71Å; A559-L639 VanDerWaalsContact C-CD1 3.47Å; A559-L639 HydrophobicContact CB-CD1 3.71Å
560	A	95.7	Very high	94.9	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-60.4	-45	178.9	0	0	0	0	0	111.6	L556 P557 R562 F563 G564 V565 L567 L639	L556-A560 VanDerWaalsContact O-CB 3.31Å; L556-A560 WeakPolarHBondContact O-CB 3.31Å; L556-A560 PolarHBondContact O-N 3.41Å; P557-A560 PolarHBondContact O-N 3.42Å; A560-R562 VanDerWaalsContact C-N 3.29Å; A560-R562 PolarHBondContact O-N 3.09Å; A560-F563 CarbonylContact O-C 3.59Å; A560-F563 WeakPolarHBondContact O-CA 3.35Å; A560-F563 PolarHBondContact O-N 3.28Å; A560-G564 PolarHBondContact O-N 3.34Å; A560-V565 CarbonylContact C-O 3.55Å; A560-V565 HydrophobicContact CB-CB 4.13Å; A560-V565 HydrophobicContact CB-CG1 4.37Å; A560-V565 VanDerWaalsContact CB-O 3.23Å; A560-V565 WeakPolarHBondContact CB-O 3.39Å; A560-V565 PolarHBondContact O-N 2.9Å; A560-L567 HydrophobicContact CB-CD1 4.2Å; A560-L567 HydrophobicContact CB-CG 4.19Å; A560-L639 HydrophobicContact CB-CD1 4.34Å; A560-L639 HydrophobicContact CB-CD2 3.78Å
561	N	94.7	Very high	95	Very high	94 Å²	94	59.4 Å²	59.4	50%	0.503	29%	0.291	S	S	.	.	H	α-helix	trans	-60.2	-37.8	178.7	-170.9	37.3	0	0	0	112.2	P557 A559 F563 G564 V565 F566	P557-N561 WeakPolarHBondContact O-CB 3.5Å; P557-N561 PolarHBondContact O-N 2.81Å; A559-N561 PolarHBondContact O-N 3.44Å; N561-F563 PolarHBondContact O-N 3.25Å; N561-G564 PolarHBondContact O-N 3.33Å; N561-V565 PolarHBondContact N-O 2.86Å; N561-F566 WeakPolarHBondContact OD1-CE1 3.41Å
562	R	93.7	Very high	95.1	Very high	186 Å²	186	59.2 Å²	59.2	70%	0.702	29%	0.292	S	S	*	.	H	α-helix	trans	-58.4	-30.3	174.3	-179.9	-179.5	172.8	176.1	1	112.8	K558 A559 A560	K558-R562 PolarHBondContact O-N 2.97Å; A559-R562 WeakPolarHBondContact O-CB 3.29Å; A559-R562 PolarHBondContact O-N 3.15Å; A560-R562 VanDerWaalsContact C-N 3.29Å; A560-R562 PolarHBondContact O-N 3.09Å
563	F	94.7	Very high	95.1	Very high	14 Å²	14	63.4 Å²	63.4	6%	0.061	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	9.8	176.7	-67.3	-80.2	0	0	0	113.3	T519 F522 A559 A560 N561 V565 P636 L639	T519-F563 HydrophobicContact CG2-CE1 4.18Å; T519-F563 WeakPolarHBondContact O-CE1 3.39Å; F522-F563 HydrophobicContact CD1-CB 4.25Å; F522-F563 AromaticContact CD1-CD1 3.7Å; F522-F563 HydrophobicContact CD1-CD1 3.7Å; F522-F563 HydrophobicContact CD1-CE1 4.46Å; F522-F563 HydrophobicContact CD1-CG 4.27Å; F522-F563 HydrophobicContact CD2-CB 3.57Å; F522-F563 HydrophobicContact CD2-CG 4.33Å; F522-F563 HydrophobicContact CE1-CB 4.17Å; F522-F563 AromaticContact CE1-CD1 3.44Å; F522-F563 HydrophobicContact CE1-CD1 3.44Å; F522-F563 VanDerWaalsContact CE1-CD1 3.44Å; F522-F563 AromaticContact CE1-CE1 3.96Å; F522-F563 HydrophobicContact CE1-CE1 3.96Å; F522-F563 AromaticContact CE1-CG 3.87Å; F522-F563 HydrophobicContact CE1-CG 3.87Å; F522-F563 HydrophobicContact CE2-CB 3.5Å; F522-F563 VanDerWaalsContact CE2-CB 3.5Å; F522-F563 HydrophobicContact CE2-CD1 4.33Å; F522-F563 AromaticContact CE2-CG 3.95Å; F522-F563 HydrophobicContact CE2-CG 3.95Å; F522-F563 HydrophobicContact CG-CB 3.95Å; F522-F563 HydrophobicContact CG-CD1 4.24Å; F522-F563 HydrophobicContact CG-CG 4.47Å; F522-F563 HydrophobicContact CZ-CB 3.82Å; F522-F563 AromaticContact CZ-CD1 3.79Å; F522-F563 HydrophobicContact CZ-CD1 3.79Å; F522-F563 HydrophobicContact CZ-CD2 4.28Å; F522-F563 HydrophobicContact CZ-CE1 4.44Å; F522-F563 AromaticContact CZ-CG 3.71Å; F522-F563 HydrophobicContact CZ-CG 3.71Å; A559-F563 VanDerWaalsContact O-CD2 3.27Å; A559-F563 WeakPolarHBondContact O-CD2 3.31Å; A560-F563 CarbonylContact O-C 3.59Å; A560-F563 WeakPolarHBondContact O-CA 3.35Å; A560-F563 PolarHBondContact O-N 3.28Å; N561-F563 PolarHBondContact O-N 3.25Å; F563-V565 VanDerWaalsContact C-N 3.34Å; F563-P636 HydrophobicContact CE2-CB 3.95Å; F563-P636 HydrophobicContact CE2-CG 4.45Å; F563-P636 HydrophobicContact CZ-CB 4.13Å; F563-L639 HydrophobicContact CD2-CD1 3.87Å; F563-L639 HydrophobicContact CE2-CD1 4.27Å
564	G	94.3	Very high	95.1	Very high	17 Å²	17	62.8 Å²	62.8	18%	0.175	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	10.1	179.8	0	0	0	0	0	115.3	P525 A560 N561 F566	P525-G564 WeakPolarHBondContact CB-O 3.47Å; A560-G564 PolarHBondContact O-N 3.34Å; N561-G564 PolarHBondContact O-N 3.33Å; G564-F566 WeakPolarHBondContact O-CD2 3.24Å; G564-F566 WeakPolarHBondContact O-CE2 3.26Å
565	V	95.4	Very high	95.2	Very high	2 Å²	2	62.1 Å²	62.1	1%	0.012	31%	0.305	C	S	.	.			trans	-95.9	119.8	176.6	179.4	0	0	0	0	109.5	F522 P525 I532 A560 N561 F563	F522-V565 HydrophobicContact CD2-CG2 3.89Å; F522-V565 HydrophobicContact CE2-CG2 4.07Å; P525-V565 HydrophobicContact CB-CG2 4Å; I532-V565 HydrophobicContact CD1-CG1 4.16Å; A560-V565 CarbonylContact C-O 3.55Å; A560-V565 HydrophobicContact CB-CB 4.13Å; A560-V565 HydrophobicContact CB-CG1 4.37Å; A560-V565 VanDerWaalsContact CB-O 3.23Å; A560-V565 WeakPolarHBondContact CB-O 3.39Å; A560-V565 PolarHBondContact O-N 2.9Å; N561-V565 PolarHBondContact N-O 2.86Å; F563-V565 VanDerWaalsContact C-N 3.34Å
566	F	95.5	Very high	95.2	Very high	79 Å²	79	58 Å²	58	35%	0.346	29%	0.285	S	S	.	.			trans	-99	113.2	-176.8	-60.4	-80.5	0	0	0	111	A531 I532 N561 G564	A531-F566 CarbonylContact C-O 3.51Å; A531-F566 WeakPolarHBondContact CA-O 3.45Å; I532-F566 WeakPolarHBondContact CG1-O 3.49Å; I532-F566 PolarHBondContact N-O 2.81Å; N561-F566 WeakPolarHBondContact OD1-CE1 3.41Å; G564-F566 WeakPolarHBondContact O-CD2 3.24Å; G564-F566 WeakPolarHBondContact O-CE2 3.26Å
567	L	96	Very high	95.1	Very high	12 Å²	12	63.9 Å²	63.9	6%	0.063	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-95.7	144.9	172.2	-62.6	-177.6	0	0	0	110.1	I532 W534 L556 P557 A560 F595	I532-L567 HydrophobicContact CB-CD2 4.08Å; W534-L567 HydrophobicContact CD2-CD1 4.29Å; W534-L567 HydrophobicContact CG-CD2 4.46Å; W534-L567 HydrophobicContact CZ2-CD1 4.32Å; L556-L567 HydrophobicContact CD2-CD1 3.78Å; L556-L567 HydrophobicContact CG-CD1 3.74Å; P557-L567 HydrophobicContact CB-CB 4.45Å; P557-L567 HydrophobicContact CG-CD1 4.48Å; A560-L567 HydrophobicContact CB-CD1 4.2Å; A560-L567 HydrophobicContact CB-CG 4.19Å; L567-F595 HydrophobicContact CD2-CD1 4.45Å
568	S	94.6	Very high	95	Very high	30 Å²	30	64.8 Å²	64.8	21%	0.21	31%	0.313	C	S	.	.			trans	-61.3	141.9	176	62.5	0	0	0	0	112	I532 W534 K570	I532-S568 PolarHBondContact O-N 3.09Å; I532-S568 PolarHBondContact O-OG 2.9Å; W534-S568 VanDerWaalsContact CD1-OG 3.28Å; W534-S568 PolarHBondContact NE1-O 2.95Å; S568-K570 VanDerWaalsContact C-N 3.31Å; S568-K570 PolarHBondContact O-N 3.21Å
569	N	89.2	Confident	94.9	Very high	156 Å²	156	64 Å²	64	83%	0.834	32%	0.317	S	S	*	.	S	Bend	trans	-60.1	-33.2	-172.7	-72.6	-19.6	0	0	0	114.8
570	K	90.8	Very high	95	Very high	186 Å²	186	67.1 Å²	67.1	81%	0.809	33%	0.328	S	S	*	.	S	Bend	trans	-114.2	99.6	-179.1	-67.3	-175.1	-180	-179.7	0	109.7	S568	S568-K570 VanDerWaalsContact C-N 3.31Å; S568-K570 PolarHBondContact O-N 3.21Å
571	P	96.8	Very high	95	Very high	16 Å²	16	67.2 Å²	67.2	10%	0.104	33%	0.328	C	S	.	.			trans	-68.9	148.4	170.5	26.2	-30.9	0	0	0	110.8	W534 I536 T553 I573	W534-P571 HydrophobicContact CD2-CB 3.91Å; W534-P571 HydrophobicContact CE3-CB 4.25Å; W534-P571 HydrophobicContact CG-CB 4.48Å; W534-P571 HydrophobicContact CH2-CB 4.09Å; W534-P571 HydrophobicContact CH2-CG 4.11Å; W534-P571 HydrophobicContact CZ2-CB 3.72Å; W534-P571 HydrophobicContact CZ2-CG 3.73Å; W534-P571 HydrophobicContact CZ3-CB 4.33Å; W534-P571 VanDerWaalsContact O-CA 3.3Å; W534-P571 WeakPolarHBondContact O-CA 3.22Å; I536-P571 HydrophobicContact CD1-CB 4.38Å; I536-P571 HydrophobicContact CD1-CG 4.13Å; I536-P571 HydrophobicContact CG1-CB 4.3Å; T553-P571 HydrophobicContact CG2-CG 4.01Å; P571-I573 HydrophobicContact CG-CD1 4.37Å; P571-I573 HydrophobicContact CG-CG1 4.31Å
572	L	97.2	Very high	95	Very high	47 Å²	47	66.7 Å²	66.7	25%	0.246	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	136.1	161.3	-60.2	-177	0	0	0	109.1	W534 G535 I536 F588 Q591 C593	W534-L572 PolarHBondContact O-N 3.3Å; W534-L572 VanDerWaalsContact O-N 3.17Å; G535-L572 CarbonylContact C-O 3.57Å; G535-L572 WeakPolarHBondContact CA-O 3.29Å; I536-L572 PolarHBondContact N-O 3.07Å; L572-F588 HydrophobicContact CB-CD1 4.31Å; L572-F588 HydrophobicContact CB-CE1 4.01Å; L572-F588 HydrophobicContact CB-CZ 4.17Å; L572-F588 HydrophobicContact CD1-CD1 4.48Å; L572-F588 HydrophobicContact CD1-CG 4.36Å; L572-Q591 HydrophobicContact CD1-CB 3.48Å; L572-Q591 VanDerWaalsContact CD1-CB 3.48Å; L572-Q591 HydrophobicContact CD1-CG 4.15Å; L572-Q591 VanDerWaalsContact CD1-OE1 3.24Å; L572-C593 WeakPolarHBondContact CD1-SG 3.42Å
573	I	97.5	Very high	95.2	Very high	89 Å²	89	65.2 Å²	65.2	46%	0.456	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	126.1	-177.7	-62.1	168.8	0	0	0	108.2	I536 V549 P571	I536-I573 HydrophobicContact CB-CG1 4.45Å; I536-I573 HydrophobicContact CD1-CG1 4.4Å; I536-I573 WeakPolarHBondContact O-CA 3.33Å; V549-I573 HydrophobicContact CG1-CD1 3.76Å; V549-I573 HydrophobicContact CG1-CG1 4.18Å; V549-I573 HydrophobicContact CG1-CG2 3.75Å; P571-I573 HydrophobicContact CG-CD1 4.37Å; P571-I573 HydrophobicContact CG-CG1 4.31Å
574	S	97.2	Very high	95.3	Very high	21 Å²	21	66.4 Å²	66.4	15%	0.147	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	167.2	173.7	-149.8	0	0	0	0	111.5	I536 L537 C538 K584	I536-S574 PolarHBondContact O-N 3.14Å; L537-S574 WeakPolarHBondContact CA-O 3.16Å; C538-S574 PolarHBondContact N-O 3.1Å; C538-S574 VanDerWaalsContact N-O 3.08Å; S574-K584 WeakPolarHBondContact OG-CE 3.31Å; S574-K584 PolarHBondContact OG-NZ 2.84Å; S574-K584 VanDerWaalsContact OG-NZ 3.08Å
575	Q	96.8	Very high	95.4	Very high	67 Å²	67	65.6 Å²	65.6	31%	0.313	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	145.7	172	-44.1	-165.7	2.6	0	0	108	C538 N541 S545	C538-Q575 HydrophobicContact CB-CB 4.14Å; C538-Q575 HydrophobicContact CB-CG 3.85Å; C538-Q575 WeakPolarHBondContact O-CA 3.49Å; N541-Q575 WeakPolarHBondContact OD1-CB 3.48Å; S545-Q575 PolarHBondContact OG-NE2 2.96Å; S545-Q575 PolarHBondContact OG-OE1 2.84Å
576	C	96.4	Very high	95.4	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.335	C	S	.	.			trans	-155.1	164	177.3	70.3	0	0	0	0	112.3	L537 C538 P540 N541 Q580 K584	L537-C576 HydrophobicContact CD1-CB 4.48Å; C538-C576 PolarHBondContact O-N 3.45Å; C538-C576 VanDerWaalsContact O-N 3.12Å; P540-C576 CarbonylContact C-O 3.45Å; P540-C576 VanDerWaalsContact CA-O 3.31Å; P540-C576 WeakPolarHBondContact CA-O 3.31Å; N541-C576 PolarHBondContact N-O 2.91Å; N541-C576 VanDerWaalsContact OD1-CA 3.26Å; N541-C576 WeakPolarHBondContact OD1-CA 3.26Å; N541-C576 PolarHBondContact OD1-N 3.44Å; C576-Q580 HydrophobicContact CB-CB 3.83Å; C576-K584 HydrophobicContact CB-CD 4.45Å; C576-K584 HydrophobicContact CB-CG 3.77Å
577	Y	95.6	Very high	95.5	Very high	124 Å²	124	68.5 Å²	68.5	49%	0.486	33%	0.333	S	S	.	.			trans	-83.6	164.1	164.9	-64.3	-78.5	0	0	0	110.9	P540 N541 N579 Q580	P540-Y577 HydrophobicContact CB-CD1 3.89Å; P540-Y577 HydrophobicContact CB-CE1 4.25Å; N541-Y577 HydrophobicContact CB-CE1 4.47Å; N541-Y577 WeakPolarHBondContact ND2-CE2 3.47Å; Y577-N579 VanDerWaalsContact C-N 3.25Å; Y577-N579 VanDerWaalsContact CB-OD1 3.28Å; Y577-N579 WeakPolarHBondContact CB-OD1 3.46Å; Y577-N579 PolarHBondContact O-N 3.09Å; Y577-Q580 VanDerWaalsContact N-OE1 3.1Å; Y577-Q580 WeakPolarHBondContact O-CB 3.16Å; Y577-Q580 PolarHBondContact O-N 3.11Å
578	V	92.5	Very high	95.6	Very high	48 Å²	48	68 Å²	68	29%	0.291	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-55.8	-38.3	-176.1	-178.4	0	0	0	0	112.6	V539 Q580 L581 A605 T608	V539-V578 HydrophobicContact CG1-CG2 4.17Å; V578-Q580 PolarHBondContact O-N 2.89Å; V578-L581 HydrophobicContact CB-CD1 4.4Å; V578-L581 HydrophobicContact CG1-CD1 3.93Å; V578-L581 WeakPolarHBondContact O-CB 3.08Å; V578-L581 WeakPolarHBondContact O-CD1 3.44Å; V578-L581 VanDerWaalsContact O-CG 3.32Å; V578-L581 WeakPolarHBondContact O-CG 3.31Å; V578-L581 PolarHBondContact O-N 3.48Å; V578-A605 HydrophobicContact CG2-CB 3.81Å; V578-T608 HydrophobicContact CG1-CG2 4.39Å
579	N	93.6	Very high	95.6	Very high	139 Å²	139	71.7 Å²	71.7	74%	0.743	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-69.4	-12.7	178.6	65.6	-26	0	0	0	114.3	Y577	Y577-N579 VanDerWaalsContact C-N 3.25Å; Y577-N579 VanDerWaalsContact CB-OD1 3.28Å; Y577-N579 WeakPolarHBondContact CB-OD1 3.46Å; Y577-N579 PolarHBondContact O-N 3.09Å
580	Q	96.3	Very high	95.9	Very high	82 Å²	82	74 Å²	74	38%	0.383	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-101	-3.7	178.5	-67.3	172.1	-31.2	0	0	112.5	C576 Y577 V578 E582 K583 K584	C576-Q580 HydrophobicContact CB-CB 3.83Å; Y577-Q580 VanDerWaalsContact N-OE1 3.1Å; Y577-Q580 WeakPolarHBondContact O-CB 3.16Å; Y577-Q580 PolarHBondContact O-N 3.11Å; V578-Q580 PolarHBondContact O-N 2.89Å; Q580-E582 VanDerWaalsContact C-N 3.33Å; Q580-E582 PolarHBondContact O-N 3.13Å; Q580-K583 PolarHBondContact O-N 2.74Å; Q580-K584 WeakPolarHBondContact O-CG 3.28Å; Q580-K584 PolarHBondContact O-N 3.39Å
581	L	95.5	Very high	96.1	Very high	2 Å²	2	70.3 Å²	70.3	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-54.5	-47	-175.4	-80.2	170.8	0	0	0	112.4	L537 V539 V578 K584 F585 A605 T608 I609 L612	L537-L581 HydrophobicContact CD2-CD2 3.95Å; V539-L581 HydrophobicContact CG1-CD2 4.35Å; V539-L581 HydrophobicContact CG2-CD2 3.84Å; V578-L581 HydrophobicContact CB-CD1 4.4Å; V578-L581 HydrophobicContact CG1-CD1 3.93Å; V578-L581 WeakPolarHBondContact O-CB 3.08Å; V578-L581 WeakPolarHBondContact O-CD1 3.44Å; V578-L581 VanDerWaalsContact O-CG 3.32Å; V578-L581 WeakPolarHBondContact O-CG 3.31Å; V578-L581 PolarHBondContact O-N 3.48Å; L581-K584 PolarHBondContact O-N 2.76Å; L581-K584 VanDerWaalsContact O-N 3.16Å; L581-F585 HydrophobicContact CD2-CE2 4.24Å; L581-F585 VanDerWaalsContact O-CD2 3.25Å; L581-F585 WeakPolarHBondContact O-CD2 3.38Å; L581-F585 PolarHBondContact O-N 3.31Å; L581-A605 HydrophobicContact CD1-CB 4.49Å; L581-T608 HydrophobicContact CD1-CG2 3.79Å; L581-I609 HydrophobicContact CD1-CG1 3.8Å; L581-I609 HydrophobicContact CD2-CG1 4Å; L581-L612 HydrophobicContact CB-CD2 4.2Å
582	E	95.4	Very high	95.9	Very high	84 Å²	84	71.2 Å²	71.2	39%	0.393	34%	0.339	S	S	.	.	H	α-helix	trans	-58.7	-54	-178	-177.8	160.7	-141.9	0	0	112.4	Q580 K584 F585 E586 L612 K616 M617	Q580-E582 VanDerWaalsContact C-N 3.33Å; Q580-E582 PolarHBondContact O-N 3.13Å; E582-K584 PolarHBondContact O-N 2.92Å; E582-F585 PolarHBondContact O-N 3.09Å; E582-F585 VanDerWaalsContact O-N 3.12Å; E582-E586 WeakPolarHBondContact O-CG 3.36Å; E582-E586 PolarHBondContact O-N 2.88Å; E582-L612 HydrophobicContact CB-CD1 4.35Å; E582-L612 HydrophobicContact CB-CD2 4.41Å; E582-L612 HydrophobicContact CG-CD1 4.16Å; E582-K616 WeakPolarHBondContact OE1-CE 3.49Å; E582-K616 IonicContact OE1-NZ 2.69Å; E582-K616 PolarHBondContact OE1-NZ 2.84Å; E582-M617 HydrophobicContact CG-CE 4.09Å
583	K	97.1	Very high	95.8	Very high	155 Å²	155	69.2 Å²	69.2	67%	0.674	33%	0.329	S	S	*	.	H	α-helix	trans	-56.2	-38	175.5	-175.4	176.4	-179.5	176.5	0	112.2	Q580 E587	Q580-K583 PolarHBondContact O-N 2.74Å; K583-E587 WeakPolarHBondContact O-CB 3.32Å; K583-E587 PolarHBondContact O-N 2.93Å
584	K	97	Very high	95.5	Very high	39 Å²	39	67.7 Å²	67.7	17%	0.17	32%	0.322	C	S	.	.	H	α-helix	trans	-71.6	-38.5	178.5	-73.2	-74.4	167.3	-164.2	0	112.7	L537 S574 C576 Q580 L581 E582 E587 F588	L537-K584 HydrophobicContact CD1-CB 4.35Å; L537-K584 HydrophobicContact CD1-CG 4.48Å; L537-K584 HydrophobicContact CD2-CB 4.23Å; S574-K584 WeakPolarHBondContact OG-CE 3.31Å; S574-K584 PolarHBondContact OG-NZ 2.84Å; S574-K584 VanDerWaalsContact OG-NZ 3.08Å; C576-K584 HydrophobicContact CB-CD 4.45Å; C576-K584 HydrophobicContact CB-CG 3.77Å; Q580-K584 WeakPolarHBondContact O-CG 3.28Å; Q580-K584 PolarHBondContact O-N 3.39Å; L581-K584 PolarHBondContact O-N 2.76Å; L581-K584 VanDerWaalsContact O-N 3.16Å; E582-K584 PolarHBondContact O-N 2.92Å; K584-E587 WeakPolarHBondContact CD-OE2 3.33Å; K584-E587 IonicContact NZ-OE1 2.82Å; K584-E587 IonicContact NZ-OE2 3.85Å; K584-E587 PolarHBondContact NZ-OE2 3.01Å; K584-E587 PolarHBondContact O-N 3.39Å; K584-F588 WeakPolarHBondContact O-CD2 3.34Å; K584-F588 PolarHBondContact O-N 3.38Å
585	F	96.8	Very high	95.4	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.8	-42.3	172.6	-90.3	-113.8	0	0	0	111.4	L537 L581 E582 F588 H589 I596 L598 I609 L612 M617 I619 T621	L537-F585 HydrophobicContact CD2-CD2 4.34Å; L537-F585 HydrophobicContact CD2-CE2 4.1Å; L581-F585 HydrophobicContact CD2-CE2 4.24Å; L581-F585 VanDerWaalsContact O-CD2 3.25Å; L581-F585 WeakPolarHBondContact O-CD2 3.38Å; L581-F585 PolarHBondContact O-N 3.31Å; E582-F585 PolarHBondContact O-N 3.09Å; E582-F585 VanDerWaalsContact O-N 3.12Å; F585-F588 PolarHBondContact O-N 2.78Å; F585-H589 VanDerWaalsContact O-CB 3.3Å; F585-H589 WeakPolarHBondContact O-CB 3.26Å; F585-H589 PolarHBondContact O-N 3.36Å; F585-I596 HydrophobicContact CD1-CD1 4.06Å; F585-I596 HydrophobicContact CE1-CD1 4.02Å; F585-I596 HydrophobicContact CG-CD1 4.33Å; F585-I596 HydrophobicContact CZ-CD1 4.27Å; F585-L598 HydrophobicContact CE2-CD2 4.24Å; F585-L598 HydrophobicContact CZ-CD1 4.47Å; F585-L598 HydrophobicContact CZ-CD2 4.37Å; F585-I609 HydrophobicContact CZ-CG2 4.18Å; F585-L612 HydrophobicContact CB-CD2 3.75Å; F585-L612 HydrophobicContact CB-CG 4.26Å; F585-L612 HydrophobicContact CD1-CD2 3.92Å; F585-L612 HydrophobicContact CD1-CG 4.01Å; F585-L612 HydrophobicContact CD2-CD2 3.45Å; F585-L612 VanDerWaalsContact CD2-CD2 3.45Å; F585-L612 HydrophobicContact CD2-CG 4.41Å; F585-L612 HydrophobicContact CE1-CD2 4.4Å; F585-L612 HydrophobicContact CE1-CG 4.49Å; F585-L612 HydrophobicContact CE2-CD2 3.96Å; F585-L612 HydrophobicContact CG-CD2 3.41Å; F585-L612 VanDerWaalsContact CG-CD2 3.41Å; F585-L612 HydrophobicContact CG-CG 3.97Å; F585-L612 HydrophobicContact CZ-CD2 4.41Å; F585-M617 HydrophobicContact CB-CG 4.22Å; F585-M617 HydrophobicContact CD1-CB 4.41Å; F585-M617 HydrophobicContact CD1-CG 4.38Å; F585-I619 HydrophobicContact CD1-CD1 4.08Å; F585-T621 HydrophobicContact CE1-CG2 3.78Å; F585-T621 HydrophobicContact CZ-CG2 3.87Å
586	E	96.7	Very high	95.5	Very high	78 Å²	78	63.5 Å²	63.5	36%	0.364	30%	0.3	S	S	.	.	H	α-helix	trans	-61.5	-42.5	175.1	-69.7	173.5	-179.6	0	0	112.2	E582 H589 R590 M617	E582-E586 WeakPolarHBondContact O-CG 3.36Å; E582-E586 PolarHBondContact O-N 2.88Å; E586-H589 PolarHBondContact O-N 2.95Å; E586-R590 VanDerWaalsContact O-CB 3.3Å; E586-R590 WeakPolarHBondContact O-CB 3.44Å; E586-R590 PolarHBondContact O-N 2.66Å; E586-M617 HydrophobicContact CG-CE 3.49Å; E586-M617 VanDerWaalsContact CG-CE 3.49Å; E586-M617 HydrophobicContact CG-SD 4.33Å
587	E	97.1	Very high	95.5	Very high	64 Å²	64	63.5 Å²	63.5	30%	0.299	30%	0.3	S	S	.	.	H	α-helix	trans	-59.4	-48.5	175.2	-178.8	-172.8	156.4	0	0	111.2	K583 K584 R590 Q591	K583-E587 WeakPolarHBondContact O-CB 3.32Å; K583-E587 PolarHBondContact O-N 2.93Å; K584-E587 WeakPolarHBondContact CD-OE2 3.33Å; K584-E587 IonicContact NZ-OE1 2.82Å; K584-E587 IonicContact NZ-OE2 3.85Å; K584-E587 PolarHBondContact NZ-OE2 3.01Å; K584-E587 PolarHBondContact O-N 3.39Å; E587-R590 PolarHBondContact O-N 3.29Å; E587-Q591 WeakPolarHBondContact O-CG 3.47Å; E587-Q591 PolarHBondContact O-N 2.56Å
588	F	97	Very high	95.6	Very high	1 Å²	1	57.6 Å²	57.6	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-66.4	-40.4	179.1	-82.1	-129.8	0	0	0	111.2	L537 L572 K584 F585 Q591 G592 C593 I596	L537-F588 HydrophobicContact CB-CZ 4.5Å; L537-F588 HydrophobicContact CD1-CZ 4.38Å; L572-F588 HydrophobicContact CB-CD1 4.31Å; L572-F588 HydrophobicContact CB-CE1 4.01Å; L572-F588 HydrophobicContact CB-CZ 4.17Å; L572-F588 HydrophobicContact CD1-CD1 4.48Å; L572-F588 HydrophobicContact CD1-CG 4.36Å; K584-F588 WeakPolarHBondContact O-CD2 3.34Å; K584-F588 PolarHBondContact O-N 3.38Å; F585-F588 PolarHBondContact O-N 2.78Å; F588-Q591 PolarHBondContact O-N 2.78Å; F588-G592 PolarHBondContact O-N 3.11Å; F588-C593 HydrophobicContact CB-CB 4.11Å; F588-C593 HydrophobicContact CD1-CB 4.47Å; F588-C593 VanDerWaalsContact O-CB 3.31Å; F588-C593 WeakPolarHBondContact O-CB 3.29Å; F588-C593 PolarHBondContact O-N 3.32Å; F588-I596 HydrophobicContact CB-CD1 3.93Å; F588-I596 HydrophobicContact CD1-CD1 3.88Å; F588-I596 HydrophobicContact CD1-CG1 3.91Å; F588-I596 HydrophobicContact CD1-CG2 4.39Å; F588-I596 HydrophobicContact CE1-CG2 4.35Å; F588-I596 HydrophobicContact CG-CD1 4.17Å
589	H	94.9	Very high	95.9	Very high	108 Å²	108	55.3 Å²	55.3	50%	0.5	26%	0.263	S	S	.	.	H	α-helix	trans	-61.6	-46.8	177	-167.8	59.4	0	0	0	111.9	F585 E586 Q591 G592 I619	F585-H589 VanDerWaalsContact O-CB 3.3Å; F585-H589 WeakPolarHBondContact O-CB 3.26Å; F585-H589 PolarHBondContact O-N 3.36Å; E586-H589 PolarHBondContact O-N 2.95Å; H589-Q591 PolarHBondContact O-N 3.35Å; H589-G592 WeakPolarHBondContact O-CA 3.38Å; H589-G592 PolarHBondContact O-N 2.99Å; H589-I619 HydrophobicContact CB-CD1 3.78Å
590	R	96.1	Very high	96.1	Very high	204 Å²	204	49.1 Å²	49.1	77%	0.77	23%	0.23	S	C	*	.	H	α-helix	trans	-62.4	-32	179	-167.3	-172.9	-47.3	-169.2	2.6	112.5	E586 E587 G592	E586-R590 VanDerWaalsContact O-CB 3.3Å; E586-R590 WeakPolarHBondContact O-CB 3.44Å; E586-R590 PolarHBondContact O-N 2.66Å; E587-R590 PolarHBondContact O-N 3.29Å; R590-G592 PolarHBondContact O-N 3.14Å
591	Q	95.2	Very high	96.1	Very high	108 Å²	108	47.9 Å²	47.9	51%	0.505	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	7.7	174.2	-67.1	-177.3	53.5	0	0	113	L572 E587 F588 H589	L572-Q591 HydrophobicContact CD1-CB 3.48Å; L572-Q591 VanDerWaalsContact CD1-CB 3.48Å; L572-Q591 HydrophobicContact CD1-CG 4.15Å; L572-Q591 VanDerWaalsContact CD1-OE1 3.24Å; E587-Q591 WeakPolarHBondContact O-CG 3.47Å; E587-Q591 PolarHBondContact O-N 2.56Å; F588-Q591 PolarHBondContact O-N 2.78Å; H589-Q591 PolarHBondContact O-N 3.35Å
592	G	92.9	Very high	95.8	Very high	36 Å²	36	50 Å²	50	37%	0.371	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	10.7	172.7	0	0	0	0	0	115	P533 F588 H589 R590 N594	P533-G592 WeakPolarHBondContact CB-O 3.44Å; F588-G592 PolarHBondContact O-N 3.11Å; H589-G592 WeakPolarHBondContact O-CA 3.38Å; H589-G592 PolarHBondContact O-N 2.99Å; R590-G592 PolarHBondContact O-N 3.14Å; G592-N594 PolarHBondContact O-N 2.95Å; G592-N594 PolarHBondContact O-OD1 3.01Å
593	C	94.7	Very high	95.3	Very high	5 Å²	5	51 Å²	51	3%	0.034	24%	0.241	C	C	.	.			trans	-63.7	125.3	176	-74.3	0	0	0	0	111.6	W534 L572 F588	W534-C593 VanDerWaalsContact C-SG 3.53Å; L572-C593 WeakPolarHBondContact CD1-SG 3.42Å; F588-C593 HydrophobicContact CB-CB 4.11Å; F588-C593 HydrophobicContact CD1-CB 4.47Å; F588-C593 VanDerWaalsContact O-CB 3.31Å; F588-C593 WeakPolarHBondContact O-CB 3.29Å; F588-C593 PolarHBondContact O-N 3.32Å
594	N	90.9	Very high	94.9	Very high	57 Å²	57	49.3 Å²	49.3	31%	0.305	24%	0.239	S	C	.	.	S	Bend	trans	-96.8	-17.8	173.1	-62.6	99.4	0	0	0	112.6	R527 I532 P533 G592 R620	R527-N594 PolarHBondContact NH1-OD1 3.45Å; R527-N594 VanDerWaalsContact NH2-CG 3.28Å; R527-N594 PolarHBondContact NH2-ND2 2.69Å; I532-N594 HydrophobicContact CG2-CB 4.31Å; P533-N594 WeakPolarHBondContact CD-OD1 3.41Å; P533-N594 PolarHBondContact O-N 3.17Å; G592-N594 PolarHBondContact O-N 2.95Å; G592-N594 PolarHBondContact O-OD1 3.01Å; N594-R620 PolarHBondContact O-N 3.1Å
595	F	95.4	Very high	94.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	134.5	-178	169.5	-125.1	0	0	0	111.5	I532 P533 W534 G535 L556 L567 M597 R620 Q622 L642 L646	I532-F595 HydrophobicContact CG2-CB 4.2Å; P533-F595 PolarHBondContact O-N 3.31Å; W534-F595 CarbonylContact C-O 3.54Å; W534-F595 WeakPolarHBondContact CA-O 3.37Å; W534-F595 HydrophobicContact CB-CB 4.05Å; W534-F595 HydrophobicContact CB-CD1 3.66Å; W534-F595 HydrophobicContact CB-CG 4.28Å; W534-F595 WeakPolarHBondContact CB-O 3.44Å; W534-F595 HydrophobicContact CE3-CD1 4.28Å; W534-F595 HydrophobicContact CE3-CE1 4.09Å; W534-F595 HydrophobicContact CG-CD1 4.34Å; G535-F595 PolarHBondContact N-O 3.08Å; L556-F595 HydrophobicContact CD2-CE1 4.5Å; L567-F595 HydrophobicContact CD2-CD1 4.45Å; F595-M597 HydrophobicContact CE1-CB 4.34Å; F595-M597 HydrophobicContact CE1-CE 4.25Å; F595-M597 HydrophobicContact CZ-CB 4.07Å; F595-M597 HydrophobicContact CZ-CE 3.74Å; F595-M597 HydrophobicContact CZ-SD 4.42Å; F595-R620 CarbonylContact C-O 3.58Å; F595-R620 WeakPolarHBondContact CA-O 3.24Å; F595-R620 WeakPolarHBondContact CD2-O 3.37Å; F595-Q622 HydrophobicContact CE2-CB 3.61Å; F595-Q622 HydrophobicContact CZ-CB 3.85Å; F595-L642 HydrophobicContact CD1-CD2 4.4Å; F595-L642 HydrophobicContact CD2-CD1 3.68Å; F595-L642 HydrophobicContact CE1-CD1 4.19Å; F595-L642 HydrophobicContact CE1-CD2 3.73Å; F595-L642 HydrophobicContact CE2-CD1 3.31Å; F595-L642 HydrophobicContact CE2-CD2 4.27Å; F595-L642 HydrophobicContact CE2-CG 4.45Å; F595-L642 HydrophobicContact CG-CD1 4.29Å; F595-L642 HydrophobicContact CZ-CD1 3.61Å; F595-L642 HydrophobicContact CZ-CD2 3.66Å; F595-L642 HydrophobicContact CZ-CG 4.31Å; F595-L646 HydrophobicContact CB-CD2 4.39Å
596	I	97.7	Very high	94.6	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	122.8	173.1	-53	175.5	0	0	0	110	G535 L537 F585 F588 L598 I619 R620 T621 Q622	G535-I596 WeakPolarHBondContact O-CA 3.24Å; L537-I596 HydrophobicContact CB-CG2 3.92Å; F585-I596 HydrophobicContact CD1-CD1 4.06Å; F585-I596 HydrophobicContact CE1-CD1 4.02Å; F585-I596 HydrophobicContact CG-CD1 4.33Å; F585-I596 HydrophobicContact CZ-CD1 4.27Å; F588-I596 HydrophobicContact CB-CD1 3.93Å; F588-I596 HydrophobicContact CD1-CD1 3.88Å; F588-I596 HydrophobicContact CD1-CG1 3.91Å; F588-I596 HydrophobicContact CD1-CG2 4.39Å; F588-I596 HydrophobicContact CE1-CG2 4.35Å; F588-I596 HydrophobicContact CG-CD1 4.17Å; I596-L598 HydrophobicContact CB-CD1 4.21Å; I596-L598 HydrophobicContact CG2-CD1 3.88Å; I596-L598 HydrophobicContact CG2-CG 3.98Å; I596-I619 HydrophobicContact CD1-CD1 4.18Å; I596-I619 HydrophobicContact CD1-CG2 3.96Å; I596-I619 HydrophobicContact CG1-CG2 3.83Å; I596-R620 PolarHBondContact N-O 3.07Å; I596-T621 HydrophobicContact CB-CG2 4.41Å; I596-T621 WeakPolarHBondContact O-CA 3.3Å; I596-Q622 PolarHBondContact O-N 3.14Å
597	M	97.9	Very high	94.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	114	166.7	-175.9	64.6	74.9	0	0	109.2	W534 G535 I536 L537 V552 L556 F595 Q622 V624 L638	W534-M597 HydrophobicContact CE3-CB 4.39Å; W534-M597 HydrophobicContact CZ3-CB 4.21Å; G535-M597 PolarHBondContact O-N 3.24Å; I536-M597 CarbonylContact C-O 3.49Å; I536-M597 VanDerWaalsContact CA-O 3.29Å; I536-M597 WeakPolarHBondContact CA-O 3.07Å; I536-M597 HydrophobicContact CG1-CB 4.47Å; L537-M597 PolarHBondContact N-O 2.74Å; V552-M597 HydrophobicContact CG1-CG 4.03Å; L556-M597 HydrophobicContact CD1-CE 4.37Å; L556-M597 HydrophobicContact CD2-CE 3.49Å; L556-M597 VanDerWaalsContact CD2-CE 3.49Å; F595-M597 HydrophobicContact CE1-CB 4.34Å; F595-M597 HydrophobicContact CE1-CE 4.25Å; F595-M597 HydrophobicContact CZ-CB 4.07Å; F595-M597 HydrophobicContact CZ-CE 3.74Å; F595-M597 HydrophobicContact CZ-SD 4.42Å; M597-Q622 CarbonylContact C-O 3.54Å; M597-Q622 WeakPolarHBondContact CA-O 3.32Å; M597-Q622 HydrophobicContact CE-CB 4.32Å; M597-Q622 HydrophobicContact CE-CG 4.2Å; M597-Q622 HydrophobicContact SD-CB 4Å; M597-Q622 HydrophobicContact SD-CG 3.94Å; M597-Q622 VanDerWaalsContact SD-O 3.36Å; M597-V624 HydrophobicContact SD-CG1 4.11Å; M597-L638 HydrophobicContact CE-CD2 3.39Å; M597-L638 HydrophobicContact CE-CG 4.41Å; M597-L638 HydrophobicContact SD-CD2 3.91Å
598	L	98	Very high	94.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122.4	178.5	-66.9	103.6	0	0	0	111.1	L537 V539 F585 I596 L600 I609 T621 Q622 C623 V624	L537-L598 HydrophobicContact CB-CD2 4.33Å; L537-L598 HydrophobicContact CB-CG 4.32Å; L537-L598 HydrophobicContact CD2-CD2 4.09Å; L537-L598 HydrophobicContact CG-CD2 4.5Å; L537-L598 CarbonylContact O-C 3.56Å; L537-L598 VanDerWaalsContact O-CA 3.27Å; L537-L598 WeakPolarHBondContact O-CA 3.34Å; V539-L598 HydrophobicContact CG2-CD2 4.21Å; F585-L598 HydrophobicContact CE2-CD2 4.24Å; F585-L598 HydrophobicContact CZ-CD1 4.47Å; F585-L598 HydrophobicContact CZ-CD2 4.37Å; I596-L598 HydrophobicContact CB-CD1 4.21Å; I596-L598 HydrophobicContact CG2-CD1 3.88Å; I596-L598 HydrophobicContact CG2-CG 3.98Å; L598-L600 HydrophobicContact CB-CD2 4.14Å; L598-I609 HydrophobicContact CD1-CG2 3.87Å; L598-I609 HydrophobicContact CD2-CB 4.4Å; L598-I609 HydrophobicContact CD2-CD1 3.61Å; L598-I609 HydrophobicContact CD2-CG1 3.74Å; L598-I609 HydrophobicContact CD2-CG2 3.72Å; L598-I609 HydrophobicContact CG-CG2 4.38Å; L598-T621 HydrophobicContact CD1-CG2 3.76Å; L598-Q622 PolarHBondContact N-O 3.4Å; L598-C623 CarbonylContact O-C 3.59Å; L598-C623 VanDerWaalsContact O-CA 3.31Å; L598-C623 WeakPolarHBondContact O-CA 3.46Å; L598-V624 PolarHBondContact O-N 2.82Å
599	I	98	Very high	94.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	112.4	174.8	-50.5	177.3	0	0	0	108	I536 L537 C538 V539 D548 V549 V552 Y601 V624 L629	I536-I599 HydrophobicContact CG2-CD1 3.73Å; I536-I599 HydrophobicContact CG2-CG1 4.08Å; L537-I599 PolarHBondContact O-N 3.42Å; C538-I599 WeakPolarHBondContact CA-O 3.43Å; V539-I599 PolarHBondContact N-O 3.43Å; D548-I599 HydrophobicContact CB-CD1 4.06Å; D548-I599 HydrophobicContact CB-CG2 4.34Å; V549-I599 HydrophobicContact CG2-CD1 4.08Å; V552-I599 HydrophobicContact CG2-CD1 4.04Å; I599-Y601 HydrophobicContact CB-CE2 4.46Å; I599-Y601 HydrophobicContact CG2-CE1 4.36Å; I599-Y601 HydrophobicContact CG2-CE2 3.99Å; I599-Y601 WeakPolarHBondContact CG2-OH 3.33Å; I599-V624 CarbonylContact C-O 3.58Å; I599-V624 WeakPolarHBondContact CA-O 3.46Å; I599-V624 HydrophobicContact CG1-CG1 4.21Å; I599-L629 HydrophobicContact CD1-CD1 4Å; I599-L629 HydrophobicContact CG1-CD1 4.23Å; I599-L629 HydrophobicContact CG2-CD1 3.95Å
600	L	97.3	Very high	94.4	Very high	8 Å²	8	40.7 Å²	40.7	4%	0.042	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	135.5	-174.4	-53.8	-173.4	0	0	0	111.4	V539 L598 Y606 I609 C623 V624 R625 G626	V539-L600 HydrophobicContact CB-CD2 4.06Å; V539-L600 WeakPolarHBondContact O-CA 3.18Å; L598-L600 HydrophobicContact CB-CD2 4.14Å; L600-Y606 HydrophobicContact CD1-CD2 4.08Å; L600-I609 HydrophobicContact CD2-CD1 3.56Å; L600-C623 HydrophobicContact CD1-CB 3.8Å; L600-C623 HydrophobicContact CG-CB 4.24Å; L600-V624 PolarHBondContact N-O 3.41Å; L600-R625 CarbonylContact O-C 3.52Å; L600-R625 WeakPolarHBondContact O-CA 3.23Å; L600-G626 PolarHBondContact O-N 2.85Å
601	Y	95.8	Very high	94.3	Very high	57 Å²	57	33.1 Å²	33.1	22%	0.224	17%	0.171	C	C	.	.	S	Bend	trans	-111.9	-9.3	175.9	-60.7	-77.8	0	0	0	113.6	C538 V539 N542 S545 D548 I599	C538-Y601 HydrophobicContact CB-CE2 4.05Å; V539-Y601 PolarHBondContact O-N 3.36Å; N542-Y601 HydrophobicContact CB-CD1 3.91Å; N542-Y601 HydrophobicContact CB-CD2 3.39Å; N542-Y601 HydrophobicContact CB-CE1 4.07Å; N542-Y601 HydrophobicContact CB-CE2 3.57Å; N542-Y601 HydrophobicContact CB-CG 3.58Å; N542-Y601 WeakPolarHBondContact ND2-CD1 3.26Å; S545-Y601 WeakPolarHBondContact CA-OH 3.18Å; S545-Y601 WeakPolarHBondContact CB-OH 3.47Å; D548-Y601 VanDerWaalsContact OD2-CE1 3.31Å; D548-Y601 WeakPolarHBondContact OD2-CE1 3.25Å; D548-Y601 PolarHBondContact OD2-OH 3.46Å; I599-Y601 HydrophobicContact CB-CE2 4.46Å; I599-Y601 HydrophobicContact CG2-CE1 4.36Å; I599-Y601 HydrophobicContact CG2-CE2 3.99Å; I599-Y601 WeakPolarHBondContact CG2-OH 3.33Å
602	D	90.9	Very high	94.3	Very high	47 Å²	47	28.6 Å²	28.6	25%	0.251	15%	0.151	S	C	.	.	S	Bend	trans	-138.4	-179.3	166.9	65	41.7	0	0	0	110.1	P540 L604	P540-D602 WeakPolarHBondContact CD-OD2 3.4Å; P540-D602 WeakPolarHBondContact CG-OD2 3.5Å; D602-L604 PolarHBondContact OD1-N 2.72Å
603	D	84.9	Confident	94.4	Very high	103 Å²	103	26.9 Å²	26.9	55%	0.551	13%	0.133	S	C	*	.	S	Bend	trans	-100.9	-1.3	178.5	-67.1	-36.3	0	0	0	113	A605 R625	D603-A605 PolarHBondContact O-N 3.42Å; D603-R625 VanDerWaalsContact CG-NH2 3.35Å; D603-R625 IonicContact OD1-CZ 2.72Å; D603-R625 IonicContact OD1-NE 3.87Å; D603-R625 PolarHBondContact OD1-NE 3.49Å; D603-R625 VanDerWaalsContact OD1-NE 3.08Å; D603-R625 IonicContact OD1-NH2 3.63Å; D603-R625 PolarHBondContact OD1-NH2 3.08Å; D603-R625 IonicContact OD2-NH2 3.33Å; D603-R625 PolarHBondContact OD2-NH2 3.49Å
604	L	88.4	Confident	94.4	Very high	121 Å²	121	26.8 Å²	26.8	63%	0.634	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-31.9	-170.5	-62.3	176.9	0	0	0	112.6	D602	D602-L604 PolarHBondContact OD1-N 2.72Å
605	A	93.4	Very high	94.6	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-20.3	-175.2	0	0	0	0	0	114	V539 V578 L581 D603 G607 T608 I609	V539-A605 HydrophobicContact CB-CB 4.34Å; V539-A605 HydrophobicContact CG1-CB 3.55Å; V578-A605 HydrophobicContact CG2-CB 3.81Å; L581-A605 HydrophobicContact CD1-CB 4.49Å; D603-A605 PolarHBondContact O-N 3.42Å; A605-G607 PolarHBondContact O-N 3.01Å; A605-T608 PolarHBondContact O-N 3.15Å; A605-I609 HydrophobicContact CB-CD1 3.6Å; A605-I609 HydrophobicContact CB-CG1 4.29Å; A605-I609 WeakPolarHBondContact O-CD1 3.36Å; A605-I609 WeakPolarHBondContact O-CG1 3.33Å; A605-I609 PolarHBondContact O-N 2.77Å
606	Y	94.5	Very high	94.5	Very high	73 Å²	73	30.6 Å²	30.6	29%	0.286	15%	0.147	S	C	.	.	H	α-helix	trans	-57.7	-51.1	-163.9	-174.7	-88.7	0	0	0	112.9	L600 T608 I609 K610 C623 R890 D893	L600-Y606 HydrophobicContact CD1-CD2 4.08Å; Y606-T608 PolarHBondContact O-N 3.11Å; Y606-I609 WeakPolarHBondContact O-CB 3.32Å; Y606-I609 PolarHBondContact O-N 3.3Å; Y606-K610 HydrophobicContact CD1-CG 4.16Å; Y606-K610 HydrophobicContact CE1-CG 3.75Å; Y606-K610 WeakPolarHBondContact O-CG 3.27Å; Y606-K610 PolarHBondContact O-N 2.86Å; Y606-C623 HydrophobicContact CD2-CB 4.29Å; Y606-C623 HydrophobicContact CE2-CB 4.15Å; Y606-R890 PolarHBondContact OH-NH2 2.71Å; Y606-D893 HydrophobicContact CD1-CB 4.23Å; Y606-D893 HydrophobicContact CE1-CB 4.14Å; Y606-D893 WeakPolarHBondContact CE1-OD2 3.37Å
607	G	93.4	Very high	94.3	Very high	4 Å²	4	31.8 Å²	31.8	4%	0.041	15%	0.153	C	C	.	.	H	α-helix	trans	-61.9	-43.6	180	0	0	0	0	0	113.4	A605 I609 K610 R611 D893 S896	A605-G607 PolarHBondContact O-N 3.01Å; G607-I609 PolarHBondContact O-N 2.81Å; G607-K610 PolarHBondContact O-N 3.32Å; G607-R611 WeakPolarHBondContact O-CB 3.39Å; G607-R611 PolarHBondContact O-N 3.49Å; G607-D893 WeakPolarHBondContact CA-O 3.49Å; G607-S896 WeakPolarHBondContact CA-OG 3.21Å
608	T	94.3	Very high	94.1	Very high	29 Å²	29	32.4 Å²	32.4	18%	0.178	16%	0.159	C	C	.	.	H	α-helix	trans	-62	-44.3	175.9	-60.4	0	0	0	0	112.1	V578 L581 A605 Y606 K610 R611 L612	V578-T608 HydrophobicContact CG1-CG2 4.39Å; L581-T608 HydrophobicContact CD1-CG2 3.79Å; A605-T608 PolarHBondContact O-N 3.15Å; Y606-T608 PolarHBondContact O-N 3.11Å; T608-K610 VanDerWaalsContact C-N 3.34Å; T608-K610 PolarHBondContact O-N 2.92Å; T608-R611 PolarHBondContact O-N 2.89Å; T608-R611 PolarHBondContact OG1-NH2 3.29Å; T608-L612 VanDerWaalsContact O-CB 3.28Å; T608-L612 WeakPolarHBondContact O-CB 3.24Å; T608-L612 PolarHBondContact O-N 2.78Å
609	I	96.4	Very high	93.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-57	-49.3	175.9	-70.2	159.4	0	0	0	110.2	L581 F585 L598 L600 A605 Y606 G607 L612 S613	L581-I609 HydrophobicContact CD1-CG1 3.8Å; L581-I609 HydrophobicContact CD2-CG1 4Å; F585-I609 HydrophobicContact CZ-CG2 4.18Å; L598-I609 HydrophobicContact CD1-CG2 3.87Å; L598-I609 HydrophobicContact CD2-CB 4.4Å; L598-I609 HydrophobicContact CD2-CD1 3.61Å; L598-I609 HydrophobicContact CD2-CG1 3.74Å; L598-I609 HydrophobicContact CD2-CG2 3.72Å; L598-I609 HydrophobicContact CG-CG2 4.38Å; L600-I609 HydrophobicContact CD2-CD1 3.56Å; A605-I609 HydrophobicContact CB-CD1 3.6Å; A605-I609 HydrophobicContact CB-CG1 4.29Å; A605-I609 WeakPolarHBondContact O-CD1 3.36Å; A605-I609 WeakPolarHBondContact O-CG1 3.33Å; A605-I609 PolarHBondContact O-N 2.77Å; Y606-I609 WeakPolarHBondContact O-CB 3.32Å; Y606-I609 PolarHBondContact O-N 3.3Å; G607-I609 PolarHBondContact O-N 2.81Å; I609-L612 PolarHBondContact O-N 2.85Å; I609-S613 WeakPolarHBondContact O-CB 3.34Å; I609-S613 PolarHBondContact O-N 2.92Å; I609-S613 PolarHBondContact O-OG 3.34Å
610	K	95.9	Very high	93.7	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.009	17%	0.165	C	C	.	.	H	α-helix	trans	-69.4	-39.6	-176.6	-66.5	-43.7	-171.6	173.9	0	113.2	Y606 G607 T608 S613 D614 T621 R890 W894	Y606-K610 HydrophobicContact CD1-CG 4.16Å; Y606-K610 HydrophobicContact CE1-CG 3.75Å; Y606-K610 WeakPolarHBondContact O-CG 3.27Å; Y606-K610 PolarHBondContact O-N 2.86Å; G607-K610 PolarHBondContact O-N 3.32Å; T608-K610 VanDerWaalsContact C-N 3.34Å; T608-K610 PolarHBondContact O-N 2.92Å; K610-S613 PolarHBondContact O-N 3.42Å; K610-S613 PolarHBondContact O-OG 3.01Å; K610-D614 WeakPolarHBondContact O-CB 3.48Å; K610-D614 PolarHBondContact O-N 3.16Å; K610-T621 PolarHBondContact NZ-O 3.34Å; K610-T621 PolarHBondContact NZ-OG1 3.32Å; K610-R890 VanDerWaalsContact CD-NH1 3.35Å; K610-W894 PolarHBondContact O-NE1 3.39Å
611	R	94.2	Very high	93.7	Very high	45 Å²	45	33.8 Å²	33.8	17%	0.17	17%	0.165	C	C	.	.	H	α-helix	trans	-59.2	-48.5	173.5	175.5	172.6	46.9	-176.1	-9.9	111.1	G607 T608 L615 W894 N897 T898 L904	G607-R611 WeakPolarHBondContact O-CB 3.39Å; G607-R611 PolarHBondContact O-N 3.49Å; T608-R611 PolarHBondContact O-N 2.89Å; T608-R611 PolarHBondContact OG1-NH2 3.29Å; R611-L615 HydrophobicContact CG-CD1 4.33Å; R611-L615 WeakPolarHBondContact O-CB 3.38Å; R611-L615 PolarHBondContact O-N 3.37Å; R611-L615 VanDerWaalsContact O-N 3.11Å; R611-W894 HydrophobicContact CB-CB 4.48Å; R611-N897 PolarHBondContact NH1-O 3.12Å; R611-N897 PolarHBondContact NH2-O 3.12Å; R611-T898 PolarHBondContact NH1-OG1 3.06Å; R611-L904 HydrophobicContact CG-CD2 4.29Å
612	L	94.7	Very high	93.7	Very high	14 Å²	14	31.7 Å²	31.7	7%	0.073	16%	0.157	C	C	.	.	I	π-helix	trans	-64.2	-43.9	-179.9	-177.2	64.6	0	0	0	112	L581 E582 F585 T608 I609 K616 M617	L581-L612 HydrophobicContact CB-CD2 4.2Å; E582-L612 HydrophobicContact CB-CD1 4.35Å; E582-L612 HydrophobicContact CB-CD2 4.41Å; E582-L612 HydrophobicContact CG-CD1 4.16Å; F585-L612 HydrophobicContact CB-CD2 3.75Å; F585-L612 HydrophobicContact CB-CG 4.26Å; F585-L612 HydrophobicContact CD1-CD2 3.92Å; F585-L612 HydrophobicContact CD1-CG 4.01Å; F585-L612 HydrophobicContact CD2-CD2 3.45Å; F585-L612 VanDerWaalsContact CD2-CD2 3.45Å; F585-L612 HydrophobicContact CD2-CG 4.41Å; F585-L612 HydrophobicContact CE1-CD2 4.4Å; F585-L612 HydrophobicContact CE1-CG 4.49Å; F585-L612 HydrophobicContact CE2-CD2 3.96Å; F585-L612 HydrophobicContact CG-CD2 3.41Å; F585-L612 VanDerWaalsContact CG-CD2 3.41Å; F585-L612 HydrophobicContact CG-CG 3.97Å; F585-L612 HydrophobicContact CZ-CD2 4.41Å; T608-L612 VanDerWaalsContact O-CB 3.28Å; T608-L612 WeakPolarHBondContact O-CB 3.24Å; T608-L612 PolarHBondContact O-N 2.78Å; I609-L612 PolarHBondContact O-N 2.85Å; L612-K616 HydrophobicContact CD1-CB 4.41Å; L612-K616 HydrophobicContact CD1-CD 4.23Å; L612-K616 PolarHBondContact O-N 3.35Å; L612-M617 HydrophobicContact CD1-CE 3.75Å; L612-M617 HydrophobicContact CD1-CG 3.7Å; L612-M617 HydrophobicContact CG-CG 3.96Å; L612-M617 WeakPolarHBondContact O-CB 3.31Å; L612-M617 PolarHBondContact O-N 2.89Å
613	S	95.5	Very high	94	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.151	C	C	.	.	I	π-helix	trans	-71.6	-47.4	-179	67.4	0	0	0	0	113.3	I609 K610 G618 I619 T621	I609-S613 WeakPolarHBondContact O-CB 3.34Å; I609-S613 PolarHBondContact O-N 2.92Å; I609-S613 PolarHBondContact O-OG 3.34Å; K610-S613 PolarHBondContact O-N 3.42Å; K610-S613 PolarHBondContact O-OG 3.01Å; S613-G618 WeakPolarHBondContact O-CA 3.44Å; S613-G618 PolarHBondContact O-N 3.35Å; S613-I619 WeakPolarHBondContact CB-O 3.45Å; S613-T621 VanDerWaalsContact CB-CG2 3.45Å; S613-T621 PolarHBondContact OG-OG1 2.9Å
614	D	95.7	Very high	94.5	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.011	13%	0.127	C	C	.	.	I	π-helix	trans	-85.4	-31.8	-166.3	-55.4	-12.1	0	0	0	111.6	K610 R890 W894 H914 F922	K610-D614 WeakPolarHBondContact O-CB 3.48Å; K610-D614 PolarHBondContact O-N 3.16Å; D614-R890 WeakPolarHBondContact OD2-CD 3.34Å; D614-R890 IonicContact OD2-CZ 3.22Å; D614-R890 IonicContact OD2-NH1 3.32Å; D614-R890 PolarHBondContact OD2-NH1 2.77Å; D614-W894 HydrophobicContact CB-CZ2 3.64Å; D614-W894 PolarHBondContact OD2-NE1 3.21Å; D614-W894 VanDerWaalsContact OD2-NE1 3.14Å; D614-H914 WeakPolarHBondContact O-CB 3.37Å; D614-H914 PolarHBondContact O-N 2.81Å; D614-F922 HydrophobicContact CB-CD2 4.29Å
615	L	94.8	Very high	94.9	Very high	21 Å²	21	26.3 Å²	26.3	11%	0.11	12%	0.121	C	C	.	.	I	π-helix	trans	-105.1	-35.8	-174.3	-50.2	-175.2	0	0	0	113.7	R611 W894 L904 V913	R611-L615 HydrophobicContact CG-CD1 4.33Å; R611-L615 WeakPolarHBondContact O-CB 3.38Å; R611-L615 PolarHBondContact O-N 3.37Å; R611-L615 VanDerWaalsContact O-N 3.11Å; L615-W894 HydrophobicContact CD1-CB 4.15Å; L615-W894 HydrophobicContact CD1-CD2 3.99Å; L615-W894 HydrophobicContact CD1-CE3 4.21Å; L615-W894 HydrophobicContact CD1-CG 3.99Å; L615-W894 HydrophobicContact CD2-CD2 3.95Å; L615-W894 HydrophobicContact CD2-CE3 3.93Å; L615-W894 HydrophobicContact CD2-CH2 3.95Å; L615-W894 HydrophobicContact CD2-CZ2 3.91Å; L615-W894 HydrophobicContact CD2-CZ3 3.97Å; L615-W894 HydrophobicContact CG-CD2 4.13Å; L615-W894 HydrophobicContact CG-CE3 4.48Å; L615-W894 HydrophobicContact CG-CG 4.37Å; L615-L904 HydrophobicContact CD1-CB 4.2Å; L615-L904 HydrophobicContact CD1-CD1 4.35Å; L615-L904 HydrophobicContact CD1-CD2 4.04Å; L615-L904 HydrophobicContact CD1-CG 4.43Å; L615-V913 HydrophobicContact CD2-CB 4.44Å; L615-V913 HydrophobicContact CD2-CG2 3.97Å
616	K	93.7	Very high	95	Very high	117 Å²	117	26.4 Å²	26.4	51%	0.509	12%	0.122	S	C	.	.	I	π-helix	trans	-104.2	-57.4	-172.2	-173.9	169.3	-178.9	171.6	0	114.2	E582 L612 H914	E582-K616 WeakPolarHBondContact OE1-CE 3.49Å; E582-K616 IonicContact OE1-NZ 2.69Å; E582-K616 PolarHBondContact OE1-NZ 2.84Å; L612-K616 HydrophobicContact CD1-CB 4.41Å; L612-K616 HydrophobicContact CD1-CD 4.23Å; L612-K616 PolarHBondContact O-N 3.35Å; K616-H914 PolarHBondContact O-CD2 2.83Å
617	M	93.1	Very high	94.9	Very high	25 Å²	25	25.7 Å²	25.7	12%	0.123	13%	0.127	C	C	.	.	I	π-helix	trans	-93.4	-21.6	-167.1	-61	-64.8	-179	0	0	113.8	E582 F585 E586 L612 I619	E582-M617 HydrophobicContact CG-CE 4.09Å; F585-M617 HydrophobicContact CB-CG 4.22Å; F585-M617 HydrophobicContact CD1-CB 4.41Å; F585-M617 HydrophobicContact CD1-CG 4.38Å; E586-M617 HydrophobicContact CG-CE 3.49Å; E586-M617 VanDerWaalsContact CG-CE 3.49Å; E586-M617 HydrophobicContact CG-SD 4.33Å; L612-M617 HydrophobicContact CD1-CE 3.75Å; L612-M617 HydrophobicContact CD1-CG 3.7Å; L612-M617 HydrophobicContact CG-CG 3.96Å; L612-M617 WeakPolarHBondContact O-CB 3.31Å; L612-M617 PolarHBondContact O-N 2.89Å; M617-I619 VanDerWaalsContact C-N 3.26Å; M617-I619 HydrophobicContact CB-CD1 4.25Å; M617-I619 HydrophobicContact CB-CG1 4.14Å; M617-I619 PolarHBondContact O-N 2.76Å
618	G	92.6	Very high	95	Very high	13 Å²	13	28 Å²	28	13%	0.134	14%	0.141	C	C	.	.			trans	66.5	22.8	178.9	0	0	0	0	0	115.1	S613 H914 S916 Q917	S613-G618 WeakPolarHBondContact O-CA 3.44Å; S613-G618 PolarHBondContact O-N 3.35Å; G618-H914 WeakPolarHBondContact CA-ND1 3.16Å; G618-S916 VanDerWaalsContact CA-OG 3.23Å; G618-S916 WeakPolarHBondContact CA-OG 3.19Å; G618-S916 PolarHBondContact O-OG 3.38Å; G618-Q917 PolarHBondContact O-NE2 2.97Å
619	I	93.8	Very high	95	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.021	13%	0.132	C	C	.	.			trans	-93.6	135.1	177.7	-54.1	174.3	0	0	0	109.5	F585 H589 I596 S613 M617	F585-I619 HydrophobicContact CD1-CD1 4.08Å; H589-I619 HydrophobicContact CB-CD1 3.78Å; I596-I619 HydrophobicContact CD1-CD1 4.18Å; I596-I619 HydrophobicContact CD1-CG2 3.96Å; I596-I619 HydrophobicContact CG1-CG2 3.83Å; S613-I619 WeakPolarHBondContact CB-O 3.45Å; M617-I619 VanDerWaalsContact C-N 3.26Å; M617-I619 HydrophobicContact CB-CD1 4.25Å; M617-I619 HydrophobicContact CB-CG1 4.14Å; M617-I619 PolarHBondContact O-N 2.76Å
620	R	94.8	Very high	94.7	Very high	26 Å²	26	34.6 Å²	34.6	10%	0.098	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	133.8	178.5	-58.3	-63.2	-178.8	164.9	12.1	110	N594 F595 I596 K645 L646 S916 Q917 D919	N594-R620 PolarHBondContact O-N 3.1Å; F595-R620 CarbonylContact C-O 3.58Å; F595-R620 WeakPolarHBondContact CA-O 3.24Å; F595-R620 WeakPolarHBondContact CD2-O 3.37Å; I596-R620 PolarHBondContact N-O 3.07Å; R620-K645 WeakPolarHBondContact CD-O 3.33Å; R620-K645 PolarHBondContact NE-O 3.1Å; R620-L646 HydrophobicContact CB-CD2 3.93Å; R620-L646 HydrophobicContact CG-CD2 3.95Å; R620-S916 PolarHBondContact NH2-O 3.16Å; R620-Q917 VanDerWaalsContact CD-OE1 3.24Å; R620-Q917 VanDerWaalsContact CZ-OE1 3.31Å; R620-Q917 VanDerWaalsContact NH1-CD 3.34Å; R620-Q917 PolarHBondContact NH1-O 2.88Å; R620-D919 IonicContact NH2-OD1 3.35Å
621	T	96.2	Very high	94.6	Very high	6 Å²	6	39 Å²	39	4%	0.037	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	141.7	-177.9	61.6	0	0	0	0	113.4	F585 I596 L598 K610 S613 K645	F585-T621 HydrophobicContact CE1-CG2 3.78Å; F585-T621 HydrophobicContact CZ-CG2 3.87Å; I596-T621 HydrophobicContact CB-CG2 4.41Å; I596-T621 WeakPolarHBondContact O-CA 3.3Å; L598-T621 HydrophobicContact CD1-CG2 3.76Å; K610-T621 PolarHBondContact NZ-O 3.34Å; K610-T621 PolarHBondContact NZ-OG1 3.32Å; S613-T621 VanDerWaalsContact CB-CG2 3.45Å; S613-T621 PolarHBondContact OG-OG1 2.9Å; T621-K645 PolarHBondContact O-NZ 3.33Å
622	Q	96.3	Very high	94.3	Very high	13 Å²	13	42 Å²	42	6%	0.061	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	116.5	170	-177.4	54.3	58.2	0	0	109.7	F595 I596 M597 L598 L638 L642	F595-Q622 HydrophobicContact CE2-CB 3.61Å; F595-Q622 HydrophobicContact CZ-CB 3.85Å; I596-Q622 PolarHBondContact O-N 3.14Å; M597-Q622 CarbonylContact C-O 3.54Å; M597-Q622 WeakPolarHBondContact CA-O 3.32Å; M597-Q622 HydrophobicContact CE-CB 4.32Å; M597-Q622 HydrophobicContact CE-CG 4.2Å; M597-Q622 HydrophobicContact SD-CB 4Å; M597-Q622 HydrophobicContact SD-CG 3.94Å; M597-Q622 VanDerWaalsContact SD-O 3.36Å; L598-Q622 PolarHBondContact N-O 3.4Å; Q622-L638 HydrophobicContact CG-CD1 3.41Å; Q622-L638 VanDerWaalsContact CG-CD1 3.41Å; Q622-L638 HydrophobicContact CG-CD2 4.03Å; Q622-L638 HydrophobicContact CG-CG 3.75Å; Q622-L642 HydrophobicContact CB-CD1 4.48Å
623	C	96.7	Very high	93.9	Very high	18 Å²	18	45.9 Å²	45.9	12%	0.122	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	140.4	177.2	-55.3	0	0	0	0	110.1	L598 L600 Y606	L598-C623 CarbonylContact O-C 3.59Å; L598-C623 VanDerWaalsContact O-CA 3.31Å; L598-C623 WeakPolarHBondContact O-CA 3.46Å; L600-C623 HydrophobicContact CD1-CB 3.8Å; L600-C623 HydrophobicContact CG-CB 4.24Å; Y606-C623 HydrophobicContact CD2-CB 4.29Å; Y606-C623 HydrophobicContact CE2-CB 4.15Å
624	V	96.8	Very high	93.8	Very high	10 Å²	10	46.8 Å²	46.8	6%	0.061	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	135.8	173.7	63.5	0	0	0	0	108.6	M597 L598 I599 L600 T628 L629	M597-V624 HydrophobicContact SD-CG1 4.11Å; L598-V624 PolarHBondContact O-N 2.82Å; I599-V624 CarbonylContact C-O 3.58Å; I599-V624 WeakPolarHBondContact CA-O 3.46Å; I599-V624 HydrophobicContact CG1-CG1 4.21Å; L600-V624 PolarHBondContact N-O 3.41Å; V624-T628 HydrophobicContact CG2-CG2 4.09Å; V624-L629 HydrophobicContact CG1-CD1 4.14Å; V624-L629 HydrophobicContact CG1-CD2 4.07Å; V624-L629 HydrophobicContact CG1-CG 4.13Å; V624-L629 HydrophobicContact CG2-CD2 3.93Å; V624-L629 HydrophobicContact CG2-CG 3.97Å
625	R	95.6	Very high	93.9	Very high	131 Å²	131	47 Å²	47	49%	0.494	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	139.6	172.2	-68.5	-175.9	178.6	135.2	-6.3	109	L600 D603 S627 T628 L629	L600-R625 CarbonylContact O-C 3.52Å; L600-R625 WeakPolarHBondContact O-CA 3.23Å; D603-R625 VanDerWaalsContact CG-NH2 3.35Å; D603-R625 IonicContact OD1-CZ 2.72Å; D603-R625 IonicContact OD1-NE 3.87Å; D603-R625 PolarHBondContact OD1-NE 3.49Å; D603-R625 VanDerWaalsContact OD1-NE 3.08Å; D603-R625 IonicContact OD1-NH2 3.63Å; D603-R625 PolarHBondContact OD1-NH2 3.08Å; D603-R625 IonicContact OD2-NH2 3.33Å; D603-R625 PolarHBondContact OD2-NH2 3.49Å; R625-S627 PolarHBondContact O-N 2.91Å; R625-S627 VanDerWaalsContact O-N 3.08Å; R625-T628 WeakPolarHBondContact O-CB 3.5Å; R625-T628 PolarHBondContact O-N 2.63Å; R625-L629 PolarHBondContact O-N 3.25Å
626	G	95	Very high	93.9	Very high	2 Å²	2	47.8 Å²	47.8	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-54.9	-30.6	174.1	0	0	0	0	0	112.2	L600 T628 L629	L600-G626 PolarHBondContact O-N 2.85Å; G626-T628 PolarHBondContact O-N 2.77Å; G626-L629 PolarHBondContact O-N 2.97Å
627	S	93.1	Very high	93.8	Very high	58 Å²	58	46.4 Å²	46.4	41%	0.406	24%	0.239	S	C	.	.	H	α-helix	trans	-65.6	-32.5	172.8	58.1	0	0	0	0	115.3	R625 R630	R625-S627 PolarHBondContact O-N 2.91Å; R625-S627 VanDerWaalsContact O-N 3.08Å; S627-R630 VanDerWaalsContact CA-CZ 3.47Å; S627-R630 VanDerWaalsContact CB-NH2 3.26Å
628	T	94.8	Very high	93.9	Very high	52 Å²	52	46 Å²	46	32%	0.319	24%	0.237	S	C	.	.	H	α-helix	trans	-70.6	-35	177.9	-60.4	0	0	0	0	111.4	V624 R625 G626 R630 K631 V634	V624-T628 HydrophobicContact CG2-CG2 4.09Å; R625-T628 WeakPolarHBondContact O-CB 3.5Å; R625-T628 PolarHBondContact O-N 2.63Å; G626-T628 PolarHBondContact O-N 2.77Å; T628-R630 PolarHBondContact O-N 2.89Å; T628-R630 VanDerWaalsContact O-N 3.11Å; T628-K631 WeakPolarHBondContact O-CB 3.39Å; T628-K631 PolarHBondContact O-N 2.87Å; T628-V634 HydrophobicContact CG2-CG1 4.23Å; T628-V634 HydrophobicContact CG2-CG2 4.46Å; T628-V634 WeakPolarHBondContact O-CG2 3.44Å
629	L	95.6	Very high	94.1	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-61.7	-19.7	179.9	-69	173.4	0	0	0	113.3	D548 K551 V552 I599 V624 R625 G626 K631 V634 F635	D548-L629 HydrophobicContact CB-CD1 3.78Å; K551-L629 WeakPolarHBondContact CE-O 3.47Å; K551-L629 PolarHBondContact NZ-O 3.48Å; V552-L629 HydrophobicContact CG2-CD1 3.84Å; V552-L629 HydrophobicContact CG2-CD2 3.86Å; I599-L629 HydrophobicContact CD1-CD1 4Å; I599-L629 HydrophobicContact CG1-CD1 4.23Å; I599-L629 HydrophobicContact CG2-CD1 3.95Å; V624-L629 HydrophobicContact CG1-CD1 4.14Å; V624-L629 HydrophobicContact CG1-CD2 4.07Å; V624-L629 HydrophobicContact CG1-CG 4.13Å; V624-L629 HydrophobicContact CG2-CD2 3.93Å; V624-L629 HydrophobicContact CG2-CG 3.97Å; R625-L629 PolarHBondContact O-N 3.25Å; G626-L629 PolarHBondContact O-N 2.97Å; L629-K631 VanDerWaalsContact C-N 3.3Å; L629-K631 PolarHBondContact O-N 3Å; L629-V634 HydrophobicContact CD2-CG1 4.34Å; L629-F635 HydrophobicContact CD2-CE1 4.08Å; L629-F635 HydrophobicContact CD2-CZ 4.09Å
630	R	90.5	Very high	94.2	Very high	166 Å²	166	45.4 Å²	45.4	63%	0.626	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-15.8	175.5	-63	-169.5	-65.5	-90.5	6.3	114	S627 T628	S627-R630 VanDerWaalsContact CA-CZ 3.47Å; S627-R630 VanDerWaalsContact CB-NH2 3.26Å; T628-R630 PolarHBondContact O-N 2.89Å; T628-R630 VanDerWaalsContact O-N 3.11Å
631	K	92.3	Very high	94.3	Very high	94 Å²	94	46.9 Å²	46.9	41%	0.409	24%	0.238	S	C	.	.	S	Bend	trans	-73.2	153.5	176.8	-63.4	-171.2	175.2	-166.2	0	110.6	T628 L629 V634	T628-K631 WeakPolarHBondContact O-CB 3.39Å; T628-K631 PolarHBondContact O-N 2.87Å; L629-K631 VanDerWaalsContact C-N 3.3Å; L629-K631 PolarHBondContact O-N 3Å; K631-V634 HydrophobicContact CB-CG2 3.89Å; K631-V634 WeakPolarHBondContact O-CG2 3.44Å
632	P	88.7	Confident	94.2	Very high	108 Å²	108	46.6 Å²	46.6	70%	0.701	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	157.1	170	29.6	-34.7	0	0	0	111.1	V634	P632-V634 VanDerWaalsContact C-N 3.28Å; P632-V634 PolarHBondContact O-N 3.25Å; P632-V634 VanDerWaalsContact O-N 3.15Å
633	N	86.4	Confident	94.2	Very high	97 Å²	97	46 Å²	46	52%	0.519	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	35.3	170.3	-61.8	-32.6	0	0	0	115.7	N637	N633-N637 PolarHBondContact O-ND2 2.84Å; N633-N637 VanDerWaalsContact O-ND2 3.11Å
634	V	94	Very high	94.1	Very high	18 Å²	18	45.2 Å²	45.2	11%	0.109	23%	0.228	C	C	.	.	H	α-helix	trans	-69.7	-42.8	-179.6	176	0	0	0	0	111.6	T628 L629 K631 P632 N637 L638	T628-V634 HydrophobicContact CG2-CG1 4.23Å; T628-V634 HydrophobicContact CG2-CG2 4.46Å; T628-V634 WeakPolarHBondContact O-CG2 3.44Å; L629-V634 HydrophobicContact CD2-CG1 4.34Å; K631-V634 HydrophobicContact CB-CG2 3.89Å; K631-V634 WeakPolarHBondContact O-CG2 3.44Å; P632-V634 VanDerWaalsContact C-N 3.28Å; P632-V634 PolarHBondContact O-N 3.25Å; P632-V634 VanDerWaalsContact O-N 3.15Å; V634-N637 PolarHBondContact O-N 2.81Å; V634-L638 WeakPolarHBondContact O-CB 3.36Å; V634-L638 PolarHBondContact O-N 3.07Å
635	F	96.2	Very high	94	Very high	6 Å²	6	45 Å²	45	3%	0.026	23%	0.226	C	C	.	.	H	α-helix	trans	-68.4	-44.5	-170.4	-60.1	-61.9	0	0	0	114.9	K551 V552 E555 L556 A559 L629 N637 L638 L639	K551-F635 HydrophobicContact CG-CE2 4.16Å; K551-F635 HydrophobicContact CG-CZ 4.18Å; V552-F635 HydrophobicContact CG2-CE1 4.1Å; V552-F635 HydrophobicContact CG2-CZ 4.1Å; E555-F635 HydrophobicContact CB-CD2 3.65Å; E555-F635 HydrophobicContact CB-CE2 3.33Å; E555-F635 HydrophobicContact CB-CZ 4.22Å; E555-F635 HydrophobicContact CG-CE2 4.27Å; E555-F635 WeakPolarHBondContact OE2-CE2 3.11Å; L556-F635 HydrophobicContact CB-CD1 3.84Å; L556-F635 HydrophobicContact CB-CE1 3.91Å; L556-F635 HydrophobicContact CB-CG 4.38Å; L556-F635 HydrophobicContact CD1-CB 4.33Å; L556-F635 HydrophobicContact CD1-CD1 3.69Å; L556-F635 HydrophobicContact CD1-CE1 4.42Å; L556-F635 HydrophobicContact CD1-CG 4.31Å; L556-F635 HydrophobicContact CG-CD1 4.33Å; A559-F635 HydrophobicContact CB-CB 3.71Å; L629-F635 HydrophobicContact CD2-CE1 4.08Å; L629-F635 HydrophobicContact CD2-CZ 4.09Å; F635-N637 VanDerWaalsContact C-N 3.3Å; F635-N637 PolarHBondContact O-N 3.13Å; F635-L638 HydrophobicContact CD1-CD2 4.49Å; F635-L638 WeakPolarHBondContact O-CB 3.17Å; F635-L638 PolarHBondContact O-N 2.91Å; F635-L638 VanDerWaalsContact O-N 3.08Å; F635-L639 WeakPolarHBondContact O-CB 3.22Å; F635-L639 WeakPolarHBondContact O-CD1 3.16Å; F635-L639 WeakPolarHBondContact O-CG 3.5Å; F635-L639 PolarHBondContact O-N 3.1Å
636	P	94.5	Very high	93.9	Very high	39 Å²	39	40 Å²	40	25%	0.253	21%	0.209	S	C	.	.	H	α-helix	trans	-55.2	-44.1	175.3	-27.8	36.6	0	0	0	113.1	F563 L638 L639 L640	F563-P636 HydrophobicContact CE2-CB 3.95Å; F563-P636 HydrophobicContact CE2-CG 4.45Å; F563-P636 HydrophobicContact CZ-CB 4.13Å; P636-L638 VanDerWaalsContact C-N 3.34Å; P636-L638 PolarHBondContact O-N 2.81Å; P636-L639 PolarHBondContact O-N 2.81Å; P636-L640 PolarHBondContact O-N 3.22Å
637	N	93.3	Very high	93.7	Very high	88 Å²	88	40.6 Å²	40.6	47%	0.471	22%	0.216	S	C	.	.	H	α-helix	trans	-67.8	-34	177.4	-71	-50.6	0	0	0	112.8	N633 V634 F635	N633-N637 PolarHBondContact O-ND2 2.84Å; N633-N637 VanDerWaalsContact O-ND2 3.11Å; V634-N637 PolarHBondContact O-N 2.81Å; F635-N637 VanDerWaalsContact C-N 3.3Å; F635-N637 PolarHBondContact O-N 3.13Å
638	L	95.3	Very high	93.7	Very high	16 Å²	16	37.9 Å²	37.9	8%	0.084	20%	0.196	C	C	.	.	H	α-helix	trans	-69.6	-39.1	175.9	-165.5	62.8	0	0	0	111.6	M597 Q622 V634 F635 P636 L640 K641 L642	M597-L638 HydrophobicContact CE-CD2 3.39Å; M597-L638 HydrophobicContact CE-CG 4.41Å; M597-L638 HydrophobicContact SD-CD2 3.91Å; Q622-L638 HydrophobicContact CG-CD1 3.41Å; Q622-L638 VanDerWaalsContact CG-CD1 3.41Å; Q622-L638 HydrophobicContact CG-CD2 4.03Å; Q622-L638 HydrophobicContact CG-CG 3.75Å; V634-L638 WeakPolarHBondContact O-CB 3.36Å; V634-L638 PolarHBondContact O-N 3.07Å; F635-L638 HydrophobicContact CD1-CD2 4.49Å; F635-L638 WeakPolarHBondContact O-CB 3.17Å; F635-L638 PolarHBondContact O-N 2.91Å; F635-L638 VanDerWaalsContact O-N 3.08Å; P636-L638 VanDerWaalsContact C-N 3.34Å; P636-L638 PolarHBondContact O-N 2.81Å; L638-L640 VanDerWaalsContact C-N 3.3Å; L638-L640 PolarHBondContact O-N 2.98Å; L638-K641 PolarHBondContact O-N 3.31Å; L638-L642 PolarHBondContact O-N 2.94Å
639	L	96.7	Very high	93.8	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-63.8	-33.6	-178.6	-75.5	162.9	0	0	0	112.4	F522 L556 A559 A560 F563 F635 P636 K641 L642 N643	F522-L639 HydrophobicContact CE2-CB 4.19Å; F522-L639 HydrophobicContact CZ-CB 3.86Å; L556-L639 HydrophobicContact CD1-CD2 4.07Å; L556-L639 HydrophobicContact CD1-CG 4.26Å; A559-L639 VanDerWaalsContact C-CD1 3.47Å; A559-L639 HydrophobicContact CB-CD1 3.71Å; A560-L639 HydrophobicContact CB-CD1 4.34Å; A560-L639 HydrophobicContact CB-CD2 3.78Å; F563-L639 HydrophobicContact CD2-CD1 3.87Å; F563-L639 HydrophobicContact CE2-CD1 4.27Å; F635-L639 WeakPolarHBondContact O-CB 3.22Å; F635-L639 WeakPolarHBondContact O-CD1 3.16Å; F635-L639 WeakPolarHBondContact O-CG 3.5Å; F635-L639 PolarHBondContact O-N 3.1Å; P636-L639 PolarHBondContact O-N 2.81Å; L639-K641 VanDerWaalsContact C-N 3.27Å; L639-K641 PolarHBondContact O-N 3.33Å; L639-L642 HydrophobicContact CD2-CD2 4.18Å; L639-L642 PolarHBondContact O-N 2.79Å; L639-L642 VanDerWaalsContact O-N 3.15Å; L639-N643 WeakPolarHBondContact O-CB 3.39Å; L639-N643 PolarHBondContact O-N 3.14Å
640	L	96.2	Very high	93.8	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-53.8	-43.9	173.3	-71.5	173	0	0	0	112.4	T519 F522 P636 L638 N650 W651 M869	T519-L640 HydrophobicContact CG2-CD2 4.31Å; F522-L640 HydrophobicContact CE1-CD2 3.78Å; F522-L640 HydrophobicContact CZ-CD2 4.42Å; P636-L640 PolarHBondContact O-N 3.22Å; L638-L640 VanDerWaalsContact C-N 3.3Å; L638-L640 PolarHBondContact O-N 2.98Å; L640-N650 HydrophobicContact CD2-CB 4.36Å; L640-N650 WeakPolarHBondContact CD2-ND2 3.17Å; L640-N650 PolarHBondContact O-ND2 2.65Å; L640-W651 HydrophobicContact CD2-CZ3 3.86Å; L640-M869 CarbonylContact C-O 3.52Å; L640-M869 WeakPolarHBondContact CB-O 3.44Å
641	K	95.3	Very high	94.2	Very high	56 Å²	56	27.7 Å²	27.7	24%	0.243	15%	0.153	C	C	.	.	H	α-helix	trans	-73.8	-42.6	176.2	-56.7	-178.7	-175.5	-178.1	0	111.5	L638 L639 G644 K645 R870	L638-K641 PolarHBondContact O-N 3.31Å; L639-K641 VanDerWaalsContact C-N 3.27Å; L639-K641 PolarHBondContact O-N 3.33Å; K641-G644 PolarHBondContact O-N 3.11Å; K641-K645 WeakPolarHBondContact O-CG 3.32Å; K641-K645 PolarHBondContact O-N 2.65Å; K641-K645 VanDerWaalsContact O-N 3.07Å; K641-R870 HydrophobicContact CG-CB 4.07Å; K641-R870 HydrophobicContact CG-CG 4.15Å
642	L	95.1	Very high	94.4	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-64.1	-42.3	-175.1	-177	56.4	0	0	0	111.6	F595 Q622 L638 L639 G644 K645 L646	F595-L642 HydrophobicContact CD1-CD2 4.4Å; F595-L642 HydrophobicContact CD2-CD1 3.68Å; F595-L642 HydrophobicContact CE1-CD1 4.19Å; F595-L642 HydrophobicContact CE1-CD2 3.73Å; F595-L642 HydrophobicContact CE2-CD1 3.31Å; F595-L642 HydrophobicContact CE2-CD2 4.27Å; F595-L642 HydrophobicContact CE2-CG 4.45Å; F595-L642 HydrophobicContact CG-CD1 4.29Å; F595-L642 HydrophobicContact CZ-CD1 3.61Å; F595-L642 HydrophobicContact CZ-CD2 3.66Å; F595-L642 HydrophobicContact CZ-CG 4.31Å; Q622-L642 HydrophobicContact CB-CD1 4.48Å; L638-L642 PolarHBondContact O-N 2.94Å; L639-L642 HydrophobicContact CD2-CD2 4.18Å; L639-L642 PolarHBondContact O-N 2.79Å; L639-L642 VanDerWaalsContact O-N 3.15Å; L642-G644 PolarHBondContact O-N 3.24Å; L642-K645 WeakPolarHBondContact O-CB 3.48Å; L642-K645 PolarHBondContact O-N 2.86Å; L642-L646 HydrophobicContact CD1-CD1 3.67Å; L642-L646 HydrophobicContact CD1-CG 3.98Å; L642-L646 HydrophobicContact CD2-CD1 4.39Å; L642-L646 HydrophobicContact CG-CD1 3.66Å; L642-L646 HydrophobicContact CG-CG 4.39Å; L642-L646 WeakPolarHBondContact O-CB 3.36Å; L642-L646 VanDerWaalsContact O-CG 3.31Å; L642-L646 WeakPolarHBondContact O-CG 3.36Å; L642-L646 PolarHBondContact O-N 2.92Å
643	N	95.8	Very high	94.8	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-59.1	-48.9	178.7	-167.1	48.4	0	0	0	111.2	F522 E524 A526 L639 K645 L646 G647 G648 V649 N650	F522-N643 HydrophobicContact CD2-CB 3.72Å; F522-N643 WeakPolarHBondContact CD2-ND2 3.33Å; F522-N643 HydrophobicContact CE2-CB 3.54Å; F522-N643 HydrophobicContact CZ-CB 4.21Å; E524-N643 PolarHBondContact O-ND2 3.45Å; A526-N643 WeakPolarHBondContact CB-OD1 3.41Å; A526-N643 PolarHBondContact N-OD1 3.5Å; L639-N643 WeakPolarHBondContact O-CB 3.39Å; L639-N643 PolarHBondContact O-N 3.14Å; N643-K645 VanDerWaalsContact C-N 3.34Å; N643-K645 PolarHBondContact O-N 2.87Å; N643-L646 CarbonylContact O-C 3.51Å; N643-L646 PolarHBondContact O-N 2.94Å; N643-L646 VanDerWaalsContact O-N 3.14Å; N643-G647 PolarHBondContact O-N 2.97Å; N643-G648 PolarHBondContact O-N 2.71Å; N643-V649 PolarHBondContact ND2-N 2.72Å; N643-V649 PolarHBondContact ND2-O 2.82Å; N643-N650 VanDerWaalsContact CB-OD1 3.3Å; N643-N650 WeakPolarHBondContact CB-OD1 3.13Å; N643-N650 PolarHBondContact ND2-OD1 2.94Å
644	G	94.8	Very high	95.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.3	-36	176	0	0	0	0	0	114.2	K641 L642 L646 G647	K641-G644 PolarHBondContact O-N 3.11Å; L642-G644 PolarHBondContact O-N 3.24Å; G644-L646 VanDerWaalsContact C-N 3.31Å; G644-L646 PolarHBondContact O-N 3.5Å; G644-G647 PolarHBondContact O-N 3.13Å
645	K	94.5	Very high	95.3	Very high	6 Å²	6	16 Å²	16	3%	0.026	9%	0.088	C	C	.	.	H	α-helix	trans	-66.2	-33.5	174.3	-75.9	174.6	179.7	179.4	0	113.3	R620 T621 K641 L642 N643 G647 M921 L924	R620-K645 WeakPolarHBondContact CD-O 3.33Å; R620-K645 PolarHBondContact NE-O 3.1Å; T621-K645 PolarHBondContact O-NZ 3.33Å; K641-K645 WeakPolarHBondContact O-CG 3.32Å; K641-K645 PolarHBondContact O-N 2.65Å; K641-K645 VanDerWaalsContact O-N 3.07Å; L642-K645 WeakPolarHBondContact O-CB 3.48Å; L642-K645 PolarHBondContact O-N 2.86Å; N643-K645 VanDerWaalsContact C-N 3.34Å; N643-K645 PolarHBondContact O-N 2.87Å; K645-G647 VanDerWaalsContact C-N 3.25Å; K645-M921 WeakPolarHBondContact CG-O 3.31Å; K645-L924 VanDerWaalsContact CE-C 3.48Å; K645-L924 WeakPolarHBondContact CE-O 3.28Å; K645-L924 HydrophobicContact CG-CB 4.23Å; K645-L924 PolarHBondContact NZ-O 3.19Å
646	L	93.1	Very high	95.3	Very high	25 Å²	25	15.7 Å²	15.7	13%	0.131	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	5.1	-179.5	-66	167.5	0	0	0	112.4	A526 I532 F595 R620 L642 N643 G644	A526-L646 HydrophobicContact CB-CB 3.33Å; A526-L646 HydrophobicContact CB-CD1 4.3Å; A526-L646 HydrophobicContact CB-CG 4.47Å; I532-L646 HydrophobicContact CD1-CD1 3.78Å; F595-L646 HydrophobicContact CB-CD2 4.39Å; R620-L646 HydrophobicContact CB-CD2 3.93Å; R620-L646 HydrophobicContact CG-CD2 3.95Å; L642-L646 HydrophobicContact CD1-CD1 3.67Å; L642-L646 HydrophobicContact CD1-CG 3.98Å; L642-L646 HydrophobicContact CD2-CD1 4.39Å; L642-L646 HydrophobicContact CG-CD1 3.66Å; L642-L646 HydrophobicContact CG-CG 4.39Å; L642-L646 WeakPolarHBondContact O-CB 3.36Å; L642-L646 VanDerWaalsContact O-CG 3.31Å; L642-L646 WeakPolarHBondContact O-CG 3.36Å; L642-L646 PolarHBondContact O-N 2.92Å; N643-L646 CarbonylContact O-C 3.51Å; N643-L646 PolarHBondContact O-N 2.94Å; N643-L646 VanDerWaalsContact O-N 3.14Å; G644-L646 VanDerWaalsContact C-N 3.31Å; G644-L646 PolarHBondContact O-N 3.5Å
647	G	91.2	Very high	95.3	Very high	16 Å²	16	16 Å²	16	17%	0.165	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.9	1.2	175	0	0	0	0	0	115.2	N643 G644 K645	N643-G647 PolarHBondContact O-N 2.97Å; G644-G647 PolarHBondContact O-N 3.13Å; K645-G647 VanDerWaalsContact C-N 3.25Å
648	G	94.5	Very high	95.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.089	C	C	.	.			trans	-77.9	175.7	174.9	0	0	0	0	0	113.3	E524 N643 M869	E524-G648 CarbonylContact O-C 3.48Å; E524-G648 WeakPolarHBondContact O-CA 3.38Å; N643-G648 PolarHBondContact O-N 2.71Å; G648-M869 WeakPolarHBondContact O-CE 3.17Å
649	V	95.9	Very high	94.6	Very high	6 Å²	6	20.7 Å²	20.7	4%	0.036	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-129.2	128	178.9	179.1	0	0	0	0	109.2	H523 E524 N643 W651 I652 M698 R699	H523-V649 PolarHBondContact N-O 3.11Å; E524-V649 HydrophobicContact CB-CB 3.99Å; E524-V649 HydrophobicContact CB-CG2 4.47Å; E524-V649 PolarHBondContact N-O 3.09Å; E524-V649 PolarHBondContact O-N 2.93Å; N643-V649 PolarHBondContact ND2-N 2.72Å; N643-V649 PolarHBondContact ND2-O 2.82Å; V649-W651 VanDerWaalsContact CG1-O 3.25Å; V649-W651 WeakPolarHBondContact CG1-O 3.39Å; V649-I652 HydrophobicContact CG1-CG1 4.3Å; V649-M698 HydrophobicContact CG1-CB 3.8Å; V649-M698 HydrophobicContact CG1-CG 4.12Å; V649-M698 HydrophobicContact CG2-CB 4.4Å; V649-R699 HydrophobicContact CG2-CG 3.89Å
650	N	96.5	Very high	94	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-78.8	-40.8	-176.4	-63.6	-18.3	0	0	0	111.8	F522 H523 L640 N643 M869	F522-N650 WeakPolarHBondContact CA-O 3.39Å; F522-N650 HydrophobicContact CD1-CB 4.02Å; F522-N650 HydrophobicContact CE1-CB 4.41Å; H523-N650 PolarHBondContact N-O 2.95Å; L640-N650 HydrophobicContact CD2-CB 4.36Å; L640-N650 WeakPolarHBondContact CD2-ND2 3.17Å; L640-N650 PolarHBondContact O-ND2 2.65Å; N643-N650 VanDerWaalsContact CB-OD1 3.3Å; N643-N650 WeakPolarHBondContact CB-OD1 3.13Å; N643-N650 PolarHBondContact ND2-OD1 2.94Å; N650-M869 HydrophobicContact CB-CE 4.25Å; N650-M869 PolarHBondContact ND2-O 3.41Å
651	W	97.1	Very high	93.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.154	C	C	.	.			trans	-157	160.8	174.4	56.5	87.6	0	0	0	109.2	A502 I503 F504 W517 T519 L640 V649 M698 Y866 Y868 C871	A502-W651 HydrophobicContact CB-CB 4.42Å; I503-W651 CarbonylContact O-C 3.29Å; I503-W651 WeakPolarHBondContact O-CA 3.22Å; I503-W651 WeakPolarHBondContact O-CB 3.17Å; F504-W651 HydrophobicContact CD1-CB 3.7Å; F504-W651 HydrophobicContact CE1-CB 3.61Å; F504-W651 HydrophobicContact CE1-CD2 4.31Å; F504-W651 HydrophobicContact CE1-CE3 4.03Å; F504-W651 HydrophobicContact CE1-CG 4.16Å; F504-W651 HydrophobicContact CG-CB 4.4Å; F504-W651 HydrophobicContact CZ-CB 4.24Å; W517-W651 HydrophobicContact CH2-CZ2 4.39Å; W517-W651 HydrophobicContact CZ2-CD2 4.43Å; W517-W651 AromaticContact CZ2-CE2 3.67Å; W517-W651 AromaticContact CZ2-CH2 3.98Å; W517-W651 HydrophobicContact CZ2-CH2 3.98Å; W517-W651 AromaticContact CZ2-CZ2 3.46Å; W517-W651 HydrophobicContact CZ2-CZ2 3.46Å; W517-W651 VanDerWaalsContact CZ2-CZ2 3.46Å; W517-W651 AromaticContact CZ2-NE1 3.95Å; T519-W651 HydrophobicContact CG2-CE3 4.28Å; T519-W651 HydrophobicContact CG2-CZ3 4.46Å; T519-W651 WeakPolarHBondContact OG1-CZ3 3.33Å; L640-W651 HydrophobicContact CD2-CZ3 3.86Å; V649-W651 VanDerWaalsContact CG1-O 3.25Å; V649-W651 WeakPolarHBondContact CG1-O 3.39Å; W651-M698 WeakPolarHBondContact O-CE 3.44Å; W651-Y866 PolarHBondContact NE1-O 3.49Å; W651-Y868 WeakPolarHBondContact CZ2-O 3.37Å; W651-C871 WeakPolarHBondContact CH2-O 3.39Å
652	I	96.9	Very high	93.2	Very high	23 Å²	23	32 Å²	32	12%	0.118	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-104.4	144.7	167.9	-66.2	177.4	0	0	0	108.9	A502 I503 H523 V649 P654 E696 M698	A502-I652 CarbonylContact C-O 3.56Å; A502-I652 WeakPolarHBondContact CA-O 3.36Å; I503-I652 HydrophobicContact CB-CB 4.39Å; I503-I652 PolarHBondContact N-O 2.85Å; I503-I652 PolarHBondContact O-N 2.88Å; H523-I652 VanDerWaalsContact CD2-CD1 3.49Å; H523-I652 WeakPolarHBondContact CD2-CD1 3.4Å; H523-I652 WeakPolarHBondContact NE2-CD1 3.29Å; V649-I652 HydrophobicContact CG1-CG1 4.3Å; I652-P654 WeakPolarHBondContact O-CD 3.1Å; I652-E696 HydrophobicContact CD1-CB 4.28Å; I652-E696 HydrophobicContact CD1-CG 3.93Å; I652-E696 HydrophobicContact CG1-CB 4.42Å; I652-E696 HydrophobicContact CG2-CB 4.29Å; I652-M698 HydrophobicContact CG1-CG 4.29Å
653	V	96.9	Very high	93.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.			trans	-103.5	84.4	170.1	-173.5	0	0	0	0	108.1	P500 D655 L656 M698 H863	P500-V653 HydrophobicContact CB-CG1 3.51Å; P500-V653 HydrophobicContact CG-CG1 3.7Å; V653-D655 PolarHBondContact O-N 3.28Å; V653-L656 HydrophobicContact CB-CD1 3.87Å; V653-L656 HydrophobicContact CB-CG 4.17Å; V653-L656 HydrophobicContact CG1-CD1 4.12Å; V653-L656 HydrophobicContact CG1-CG 3.95Å; V653-L656 WeakPolarHBondContact O-CB 3.42Å; V653-L656 PolarHBondContact O-N 2.84Å; V653-L656 VanDerWaalsContact O-N 3.14Å; V653-M698 HydrophobicContact CG2-SD 4.26Å; V653-H863 HydrophobicContact CG1-CB 4.38Å
654	P	95.9	Very high	93.3	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.019	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-58.7	-32.6	-170.9	22.4	-35.3	0	0	0	113.6	K501 I503 K509 I652 L656 T657 E658	K501-P654 HydrophobicContact CB-CG 4.23Å; K501-P654 WeakPolarHBondContact O-CD 3.31Å; I503-P654 HydrophobicContact CD1-CB 3.99Å; I503-P654 HydrophobicContact CD1-CG 3.96Å; I503-P654 HydrophobicContact CG1-CG 4.03Å; K509-P654 HydrophobicContact CD-CG 4.42Å; I652-P654 WeakPolarHBondContact O-CD 3.1Å; P654-L656 PolarHBondContact O-N 2.9Å; P654-T657 PolarHBondContact O-N 3.04Å; P654-T657 PolarHBondContact O-OG1 2.58Å; P654-E658 HydrophobicContact CB-CG 4.2Å; P654-E658 WeakPolarHBondContact CB-OE1 3.46Å; P654-E658 WeakPolarHBondContact O-CG 3.44Å; P654-E658 PolarHBondContact O-N 2.88Å
655	D	95.9	Very high	93.4	Very high	44 Å²	44	33.6 Å²	33.6	24%	0.235	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-55.8	-22.9	178.7	-56.4	-106.3	0	0	0	113.5	P500 K501 V653 T657 Y659 H863	P500-D655 HydrophobicContact CB-CB 4.15Å; K501-D655 WeakPolarHBondContact CB-OD2 3.46Å; K501-D655 PolarHBondContact N-OD2 3.29Å; V653-D655 PolarHBondContact O-N 3.28Å; D655-T657 VanDerWaalsContact C-N 3.26Å; D655-T657 PolarHBondContact O-N 3.47Å; D655-Y659 WeakPolarHBondContact O-CD1 3.43Å; D655-H863 WeakPolarHBondContact CB-ND1 3.44Å
656	L	96.3	Very high	93.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-71.2	-16.6	174.9	-70.6	175.7	0	0	0	114.3	V653 P654 Y659 L697 F860 H863 L864 A867	V653-L656 HydrophobicContact CB-CD1 3.87Å; V653-L656 HydrophobicContact CB-CG 4.17Å; V653-L656 HydrophobicContact CG1-CD1 4.12Å; V653-L656 HydrophobicContact CG1-CG 3.95Å; V653-L656 WeakPolarHBondContact O-CB 3.42Å; V653-L656 PolarHBondContact O-N 2.84Å; V653-L656 VanDerWaalsContact O-N 3.14Å; P654-L656 PolarHBondContact O-N 2.9Å; L656-Y659 WeakPolarHBondContact O-CE1 3.47Å; L656-L697 HydrophobicContact CB-CD1 4.22Å; L656-L697 HydrophobicContact CD1-CB 4.5Å; L656-F860 HydrophobicContact CB-CE2 4.38Å; L656-F860 HydrophobicContact CD2-CD2 3.79Å; L656-F860 HydrophobicContact CD2-CE2 3.8Å; L656-F860 HydrophobicContact CD2-CG 4.37Å; L656-F860 HydrophobicContact CD2-CZ 4.38Å; L656-F860 WeakPolarHBondContact O-CE2 3.12Å; L656-H863 HydrophobicContact CD2-CB 3.58Å; L656-H863 HydrophobicContact CG-CB 4.13Å; L656-L864 HydrophobicContact CD1-CD2 3.85Å; L656-L864 HydrophobicContact CD1-CG 4.5Å; L656-L864 HydrophobicContact CD2-CD2 4.02Å; L656-L864 HydrophobicContact CD2-CG 3.85Å; L656-A867 HydrophobicContact CD1-CB 4.42Å
657	T	93.4	Very high	93.9	Very high	45 Å²	45	32.1 Å²	32.1	28%	0.276	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.9	-24.7	-172.9	58.5	0	0	0	0	112.7	P654 D655 Y659 S660 P695 L697	P654-T657 PolarHBondContact O-N 3.04Å; P654-T657 PolarHBondContact O-OG1 2.58Å; D655-T657 VanDerWaalsContact C-N 3.26Å; D655-T657 PolarHBondContact O-N 3.47Å; T657-Y659 VanDerWaalsContact C-N 3.26Å; T657-Y659 PolarHBondContact O-N 3.45Å; T657-S660 PolarHBondContact O-N 3.12Å; T657-P695 WeakPolarHBondContact CG2-O 3.39Å; T657-L697 HydrophobicContact CG2-CG 4.47Å
658	E	90.6	Very high	94.2	Very high	106 Å²	106	31.4 Å²	31.4	50%	0.495	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-20.8	-176	-74.3	-176.9	176.5	0	0	114.3	K509 P654 S660	K509-E658 WeakPolarHBondContact CE-OE1 3.37Å; K509-E658 IonicContact NZ-OE1 3.82Å; K509-E658 PolarHBondContact NZ-OE1 2.94Å; K509-E658 IonicContact NZ-OE2 3.75Å; K509-E658 PolarHBondContact NZ-OE2 3Å; P654-E658 HydrophobicContact CB-CG 4.2Å; P654-E658 WeakPolarHBondContact CB-OE1 3.46Å; P654-E658 WeakPolarHBondContact O-CG 3.44Å; P654-E658 PolarHBondContact O-N 2.88Å; E658-S660 VanDerWaalsContact C-N 3.27Å; E658-S660 PolarHBondContact O-N 3.06Å
659	Y	85.1	Confident	94.4	Very high	97 Å²	97	31.4 Å²	31.4	38%	0.38	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-16.1	179.4	76.5	-91.2	0	0	0	113.5	D655 L656 T657 I664 F860	D655-Y659 WeakPolarHBondContact O-CD1 3.43Å; L656-Y659 WeakPolarHBondContact O-CE1 3.47Å; T657-Y659 VanDerWaalsContact C-N 3.26Å; T657-Y659 PolarHBondContact O-N 3.45Å; Y659-I664 HydrophobicContact CE1-CD1 4.25Å; Y659-I664 HydrophobicContact CE2-CD1 4.48Å; Y659-I664 WeakPolarHBondContact OH-CD1 3.4Å; Y659-F860 AromaticContact CE1-CD2 3.69Å; Y659-F860 HydrophobicContact CE1-CD2 3.69Å; Y659-F860 AromaticContact CE1-CE2 3.98Å; Y659-F860 HydrophobicContact CE1-CE2 3.98Å; Y659-F860 AromaticContact CZ-CD2 3.98Å; Y659-F860 WeakPolarHBondContact OH-CD2 3.4Å
660	S	83.2	Confident	94.5	Very high	24 Å²	24	31.3 Å²	31.3	17%	0.168	15%	0.151	C	C	.	.			trans	-146	139.6	179.9	-174.6	0	0	0	0	111.9	T657 E658 D662	T657-S660 PolarHBondContact O-N 3.12Å; E658-S660 VanDerWaalsContact C-N 3.27Å; E658-S660 PolarHBondContact O-N 3.06Å; S660-D662 PolarHBondContact O-N 3.08Å; S660-D662 VanDerWaalsContact OG-CB 3.3Å; S660-D662 WeakPolarHBondContact OG-CB 3.29Å; S660-D662 PolarHBondContact OG-N 3.38Å; S660-D662 VanDerWaalsContact OG-N 3.12Å; S660-D662 PolarHBondContact OG-OD2 3Å
661	K	83.9	Confident	94.4	Very high	213 Å²	213	31.7 Å²	31.7	93%	0.926	15%	0.153	S	C	*	.	S	Bend	trans	-76.8	-9.7	171.2	-64.7	-175.5	-179.6	179.1	0	112.8
662	D	91.4	Very high	94	Very high	62 Å²	62	32.4 Å²	32.4	33%	0.332	16%	0.157	S	C	.	.	S	Bend	trans	-67.4	137.6	179.5	-66.4	-26.2	0	0	0	110.9	S660 I664 K745 R746	S660-D662 PolarHBondContact O-N 3.08Å; S660-D662 VanDerWaalsContact OG-CB 3.3Å; S660-D662 WeakPolarHBondContact OG-CB 3.29Å; S660-D662 PolarHBondContact OG-N 3.38Å; S660-D662 VanDerWaalsContact OG-N 3.12Å; S660-D662 PolarHBondContact OG-OD2 3Å; D662-I664 PolarHBondContact O-N 2.97Å; D662-K745 HydrophobicContact CB-CB 4.05Å; D662-R746 IonicContact OD2-CZ 3.09Å; D662-R746 IonicContact OD2-NE 3.97Å; D662-R746 IonicContact OD2-NH2 2.97Å; D662-R746 PolarHBondContact OD2-NH2 3.32Å
663	L	95.1	Very high	93.6	Very high	29 Å²	29	33.6 Å²	33.6	15%	0.152	16%	0.162	C	C	.	.			trans	-70.7	121.9	169.2	-74.4	-178.9	0	0	0	109.6	P695 Y735 T739 R742 P744 K745 R746	L663-P695 HydrophobicContact CD2-CB 4.11Å; L663-P695 HydrophobicContact CD2-CG 4.49Å; L663-Y735 WeakPolarHBondContact CB-OH 3.43Å; L663-T739 HydrophobicContact CD1-CG2 4.45Å; L663-R742 HydrophobicContact CD1-CB 3.4Å; L663-R742 VanDerWaalsContact CD1-CB 3.4Å; L663-R742 HydrophobicContact CD1-CG 4.47Å; L663-P744 CarbonylContact O-C 3.56Å; L663-P744 WeakPolarHBondContact O-CA 3.47Å; L663-K745 PolarHBondContact O-N 2.94Å; L663-R746 PolarHBondContact O-N 3.29Å
664	I	96.5	Very high	92.7	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	141.4	177.9	-55.1	174.6	0	0	0	108.2	Y659 D662 V666 L697 Y735 R746 I748 F860	Y659-I664 HydrophobicContact CE1-CD1 4.25Å; Y659-I664 HydrophobicContact CE2-CD1 4.48Å; Y659-I664 WeakPolarHBondContact OH-CD1 3.4Å; D662-I664 PolarHBondContact O-N 2.97Å; I664-V666 HydrophobicContact CG2-CG2 4.07Å; I664-L697 WeakPolarHBondContact O-CD2 3.39Å; I664-Y735 PolarHBondContact O-OH 3.02Å; I664-R746 WeakPolarHBondContact CA-O 3.43Å; I664-R746 HydrophobicContact CG1-CB 4.33Å; I664-I748 HydrophobicContact CG2-CD1 4.03Å; I664-I748 HydrophobicContact CG2-CG1 4.45Å; I664-F860 HydrophobicContact CD1-CE2 4.46Å; I664-F860 HydrophobicContact CG2-CZ 4.34Å
665	M	97.9	Very high	91.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.5	167.1	-169.6	176.3	178.1	0	0	109.3	F667 S692 L731 L732 Y735 P744 R746 I747 I748	M665-F667 HydrophobicContact CB-CE2 4.27Å; M665-F667 HydrophobicContact CE-CE1 3.76Å; M665-F667 HydrophobicContact CE-CE2 3.8Å; M665-F667 HydrophobicContact CE-CZ 3.24Å; M665-F667 HydrophobicContact CG-CD2 4.3Å; M665-F667 HydrophobicContact CG-CE2 3.63Å; M665-F667 HydrophobicContact CG-CZ 4.1Å; M665-F667 HydrophobicContact SD-CE2 3.62Å; M665-F667 HydrophobicContact SD-CZ 3.53Å; M665-F667 VanDerWaalsContact SD-CZ 3.53Å; M665-S692 WeakPolarHBondContact CE-O 3.45Å; M665-L731 HydrophobicContact CE-CB 3.85Å; M665-L731 WeakPolarHBondContact CE-O 3.46Å; M665-L732 HydrophobicContact SD-CD2 3.67Å; M665-L732 HydrophobicContact SD-CG 4.34Å; M665-Y735 HydrophobicContact CB-CD2 4.44Å; M665-Y735 HydrophobicContact CB-CE2 4.23Å; M665-Y735 HydrophobicContact CE-CG 4.5Å; M665-Y735 HydrophobicContact CG-CD2 4.04Å; M665-Y735 HydrophobicContact CG-CE2 4.27Å; M665-Y735 HydrophobicContact CG-CG 4.4Å; M665-Y735 HydrophobicContact SD-CD1 4.42Å; M665-Y735 HydrophobicContact SD-CD2 4.09Å; M665-Y735 HydrophobicContact SD-CG 3.87Å; M665-P744 HydrophobicContact CB-CB 3.92Å; M665-P744 HydrophobicContact CB-CG 4.16Å; M665-R746 PolarHBondContact N-O 2.79Å; M665-I747 WeakPolarHBondContact O-CA 3.45Å; M665-I748 PolarHBondContact O-N 2.91Å
666	V	98.5	Very high	89.3	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	132.3	-178.2	-174.9	0	0	0	0	109.7	I664 G691 S692 L697 I748 Y750 F860 L864 P880	I664-V666 HydrophobicContact CG2-CG2 4.07Å; V666-G691 CarbonylContact O-C 3.51Å; V666-G691 WeakPolarHBondContact O-CA 3.36Å; V666-S692 PolarHBondContact N-OG 2.8Å; V666-S692 PolarHBondContact O-N 2.85Å; V666-L697 HydrophobicContact CG2-CD1 3.88Å; V666-L697 HydrophobicContact CG2-CD2 4.12Å; V666-I748 CarbonylContact C-O 3.46Å; V666-I748 WeakPolarHBondContact CA-O 3.48Å; V666-I748 HydrophobicContact CG2-CB 4.46Å; V666-Y750 HydrophobicContact CG1-CD2 3.88Å; V666-Y750 HydrophobicContact CG1-CE2 3.89Å; V666-F860 HydrophobicContact CG2-CE1 4.01Å; V666-F860 HydrophobicContact CG2-CZ 3.77Å; V666-L864 HydrophobicContact CG1-CD1 3.92Å; V666-L864 HydrophobicContact CG2-CD1 4.47Å; V666-P880 HydrophobicContact CB-CG 4.46Å; V666-P880 HydrophobicContact CG1-CB 4.42Å; V666-P880 HydrophobicContact CG1-CG 3.71Å
667	F	98.8	Very high	87.1	Confident	1 Å²	1	40.2 Å²	40.2	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	149.1	177.2	-67.3	-101.5	0	0	0	111.6	M665 V689 V690 V728 L731 I747 I748 F749 Y750	M665-F667 HydrophobicContact CB-CE2 4.27Å; M665-F667 HydrophobicContact CE-CE1 3.76Å; M665-F667 HydrophobicContact CE-CE2 3.8Å; M665-F667 HydrophobicContact CE-CZ 3.24Å; M665-F667 HydrophobicContact CG-CD2 4.3Å; M665-F667 HydrophobicContact CG-CE2 3.63Å; M665-F667 HydrophobicContact CG-CZ 4.1Å; M665-F667 HydrophobicContact SD-CE2 3.62Å; M665-F667 HydrophobicContact SD-CZ 3.53Å; M665-F667 VanDerWaalsContact SD-CZ 3.53Å; F667-V689 HydrophobicContact CD1-CG1 4.1Å; F667-V690 CarbonylContact C-O 3.59Å; F667-V690 WeakPolarHBondContact CA-O 3.23Å; F667-V728 HydrophobicContact CE1-CG1 4.31Å; F667-V728 HydrophobicContact CE1-CG2 4.36Å; F667-V728 HydrophobicContact CZ-CG1 4.09Å; F667-L731 HydrophobicContact CD1-CD1 3.98Å; F667-L731 HydrophobicContact CE1-CB 3.89Å; F667-L731 HydrophobicContact CE1-CD1 3.72Å; F667-L731 HydrophobicContact CE1-CG 4.47Å; F667-L731 HydrophobicContact CZ-CB 4.49Å; F667-I747 HydrophobicContact CD2-CG2 3.8Å; F667-I747 HydrophobicContact CE2-CD1 4.45Å; F667-I747 HydrophobicContact CE2-CG1 4.45Å; F667-I747 HydrophobicContact CE2-CG2 3.78Å; F667-I748 PolarHBondContact N-O 3.13Å; F667-F749 HydrophobicContact CB-CB 4.46Å; F667-F749 HydrophobicContact CB-CD2 3.37Å; F667-F749 HydrophobicContact CB-CE2 3.76Å; F667-F749 HydrophobicContact CB-CG 4.03Å; F667-F749 HydrophobicContact CD1-CD2 4.41Å; F667-F749 HydrophobicContact CD1-CE2 4.32Å; F667-F749 HydrophobicContact CD2-CD2 4.33Å; F667-F749 AromaticContact CG-CD2 3.83Å; F667-F749 HydrophobicContact CG-CD2 3.83Å; F667-F749 HydrophobicContact CG-CE2 4.16Å; F667-Y750 PolarHBondContact O-N 2.9Å
668	G	98.6	Very high	85	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	137.7	165.2	0	0	0	0	0	109.7	V690 Y750 S884	G668-V690 PolarHBondContact N-O 3.5Å; G668-V690 PolarHBondContact O-N 3.37Å; G668-Y750 CarbonylContact C-O 3.55Å; G668-Y750 VanDerWaalsContact CA-O 3.31Å; G668-Y750 WeakPolarHBondContact CA-O 3.33Å; G668-S884 WeakPolarHBondContact O-CB 3.17Å
669	A	98.5	Very high	82.8	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	136	179.6	0	0	0	0	0	113.1	A688 V689 I721 F749 Y750 R751 D752	A669-A688 VanDerWaalsContact CA-O 3.3Å; A669-A688 WeakPolarHBondContact CA-O 3.4Å; A669-V689 HydrophobicContact CB-CG2 4.35Å; A669-I721 HydrophobicContact CB-CD1 3.74Å; A669-F749 HydrophobicContact CB-CE1 3.69Å; A669-F749 HydrophobicContact CB-CZ 3.54Å; A669-Y750 PolarHBondContact N-O 2.74Å; A669-R751 PolarHBondContact O-NH1 2.84Å; A669-D752 PolarHBondContact O-N 3.34Å
670	D	96.8	Very high	80.9	Confident	5 Å²	5	45.8 Å²	45.8	3%	0.027	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	145.4	179.6	-172.8	22.4	0	0	0	110.4	A688 D752 S884 H885	D670-A688 PolarHBondContact N-O 3.11Å; D670-A688 PolarHBondContact O-N 3.22Å; D670-D752 HydrophobicContact CB-CB 4.49Å; D670-S884 WeakPolarHBondContact CB-OG 3.46Å; D670-S884 PolarHBondContact N-OG 3.19Å; D670-H885 WeakPolarHBondContact OD2-CA 3.32Å; D670-H885 IonicContact OD2-CE1 3.54Å; D670-H885 IonicContact OD2-CG 3.63Å; D670-H885 IonicContact OD2-ND1 3.38Å; D670-H885 PolarHBondContact OD2-ND1 2.79Å
671	V	94.5	Very high	79.2	Confident	8 Å²	8	49.7 Å²	49.7	5%	0.048	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119	172	178.6	0	0	0	0	107.9	H673 V686 A687 I721	V671-H673 WeakPolarHBondContact CG1-CE1 3.39Å; V671-V686 WeakPolarHBondContact CA-O 3.46Å; V671-A687 HydrophobicContact CG2-CB 3.95Å; V671-I721 HydrophobicContact CG2-CD1 4.37Å; V671-I721 HydrophobicContact CG2-CG1 3.72Å
672	T	90.2	Very high	77.9	Confident	15 Å²	15	40.3 Å²	40.3	9%	0.092	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120.2	177.7	-67	0	0	0	0	110.1	S685 V686 F889	T672-S685 WeakPolarHBondContact O-CA 3.32Å; T672-V686 PolarHBondContact N-O 3.02Å; T672-V686 PolarHBondContact O-N 2.74Å; T672-F889 HydrophobicContact CG2-CE2 4.1Å; T672-F889 HydrophobicContact CG2-CZ 4.49Å
673	H	86.9	Confident	76.9	Confident	48 Å²	48	43.4 Å²	43.4	22%	0.222	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-87.5	150.3	175.4	-56.7	-63.3	0	0	0	112.1	V671 S685 T717 R718 E719	V671-H673 WeakPolarHBondContact CG1-CE1 3.39Å; H673-S685 PolarHBondContact CE1-OG 3.33Å; H673-S685 PolarHBondContact ND1-OG 2.75Å; H673-T717 WeakPolarHBondContact CE1-CG2 3.45Å; H673-T717 WeakPolarHBondContact ND1-CG2 3.5Å; H673-T717 VanDerWaalsContact NE2-CG2 3.26Å; H673-T717 WeakPolarHBondContact NE2-CG2 3.36Å; H673-R718 PolarHBondContact CE1-O 2.94Å; H673-E719 IonicContact CD2-OE1 3.56Å; H673-E719 VanDerWaalsContact NE2-CD 3.34Å; H673-E719 IonicContact NE2-OE1 3.24Å; H673-E719 PolarHBondContact NE2-OE1 2.87Å; H673-E719 IonicContact NE2-OE2 3.61Å; H673-E719 PolarHBondContact NE2-OE2 3.46Å
674	P	77.9	Confident	76.5	Confident	26 Å²	26	46 Å²	46	17%	0.169	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-65.9	153.8	171.5	28.4	-33.8	0	0	0	111.4	V682 T709	P674-V682 WeakPolarHBondContact CB-O 3.35Å; P674-T709 HydrophobicContact CG-CG2 4.2Å
675	A	66.8	Low	76.2	Confident	26 Å²	26	45.7 Å²	45.7	22%	0.215	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-69.9	143.4	175.6	0	0	0	0	0	109.5	T677 Q678	A675-T677 PolarHBondContact O-N 3.14Å; A675-Q678 HydrophobicContact CB-CG 4.35Å; A675-Q678 PolarHBondContact O-N 3.15Å; A675-Q678 VanDerWaalsContact O-N 3.12Å
676	P	54.9	Low	76	Confident	74 Å²	74	45.7 Å²	45.7	48%	0.481	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-10.2	-177.3	-24.4	31.7	0	0	0	115.9
677	T	49.6	Very low	75.9	Confident	60 Å²	60	45.8 Å²	45.8	37%	0.368	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	1.8	-172.7	44.5	0	0	0	0	113.6	A675 T679	A675-T677 PolarHBondContact O-N 3.14Å; T677-T679 PolarHBondContact O-N 2.91Å; T677-T679 VanDerWaalsContact O-N 3.12Å; T677-T679 PolarHBondContact O-OG1 3.24Å
678	Q	49.7	Very low	75.8	Confident	85 Å²	85	45.8 Å²	45.8	40%	0.397	24%	0.244	S	C	.	.			trans	-80.5	91.9	176.4	-79.5	-179.4	-22.3	0	0	109.8	A675 H680	A675-Q678 HydrophobicContact CB-CG 4.35Å; A675-Q678 PolarHBondContact O-N 3.15Å; A675-Q678 VanDerWaalsContact O-N 3.12Å; Q678-H680 PolarHBondContact O-N 2.83Å
679	T	44	Very low	75.8	Confident	112 Å²	112	45.9 Å²	45.9	69%	0.687	24%	0.244	S	C	*	.			trans	-72.6	-12.5	-169.3	-15.7	0	0	0	0	115.7	T677	T677-T679 PolarHBondContact O-N 2.91Å; T677-T679 VanDerWaalsContact O-N 3.12Å; T677-T679 PolarHBondContact O-OG1 3.24Å
680	H	45	Very low	75.8	Confident	167 Å²	167	45.9 Å²	45.9	77%	0.773	24%	0.244	S	C	*	.	S	Bend	trans	-146.5	-10.9	-171.8	-78.7	-70.8	0	0	0	120.5	Q678	Q678-H680 PolarHBondContact O-N 2.83Å
681	Q	48.3	Very low	75.8	Confident	107 Å²	107	45.6 Å²	45.6	50%	0.5	24%	0.243	S	C	.	.	S	Bend	trans	-120.9	-31.1	-168.5	-71	-175	-2.3	0	0	117.1
682	V	56.6	Low	76	Confident	15 Å²	15	45.2 Å²	45.2	9%	0.091	24%	0.241	C	C	.	.			trans	-134.4	92.2	178.2	-175.1	0	0	0	0	108.3	P674 L895	P674-V682 WeakPolarHBondContact CB-O 3.35Å; V682-L895 HydrophobicContact CG1-CD1 3.9Å; V682-L895 HydrophobicContact CG2-CB 3.83Å; V682-L895 HydrophobicContact CG2-CD1 4.12Å
683	L	70.5	Confident	76.2	Confident	128 Å²	128	44.6 Å²	44.6	67%	0.67	24%	0.237	S	C	*	.			trans	-95.4	-4.9	-179.7	-65.9	173.4	0	0	0	113.2	T709	L683-T709 PolarHBondContact O-OG1 2.99Å
684	K	85.4	Confident	76.5	Confident	82 Å²	82	42.7 Å²	42.7	36%	0.357	23%	0.229	S	C	.	.	S	Bend	trans	-109.2	151.7	-177.9	-72.9	-171.5	178.6	-175.1	0	111.1	Q706 Q707 T709 D909	K684-Q706 HydrophobicContact CB-CB 4.49Å; K684-Q706 HydrophobicContact CD-CB 4.11Å; K684-Q707 WeakPolarHBondContact CB-O 3.4Å; K684-T709 VanDerWaalsContact C-OG1 3.3Å; K684-T709 WeakPolarHBondContact CA-OG1 3.41Å; K684-D909 IonicContact NZ-OD1 2.85Å; K684-D909 PolarHBondContact NZ-OD1 3.02Å
685	S	90.8	Very high	77.3	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	156	169.9	-57.1	0	0	0	0	109.8	T672 H673 Q706 Q707 T709	T672-S685 WeakPolarHBondContact O-CA 3.32Å; H673-S685 PolarHBondContact CE1-OG 3.33Å; H673-S685 PolarHBondContact ND1-OG 2.75Å; S685-Q706 WeakPolarHBondContact O-CA 3.33Å; S685-Q707 PolarHBondContact N-O 3.23Å; S685-Q707 PolarHBondContact O-N 3.21Å; S685-T709 PolarHBondContact N-OG1 2.98Å; S685-T709 VanDerWaalsContact OG-CA 3.28Å; S685-T709 WeakPolarHBondContact OG-CA 3.47Å; S685-T709 PolarHBondContact OG-OG1 3.15Å
686	V	93.3	Very high	78.6	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	121.4	173.7	176.4	0	0	0	0	108.6	V671 T672 V704 R705 A888 A891 R892 L895	V671-V686 WeakPolarHBondContact CA-O 3.46Å; T672-V686 PolarHBondContact N-O 3.02Å; T672-V686 PolarHBondContact O-N 2.74Å; V686-V704 HydrophobicContact CG1-CG1 3.44Å; V686-V704 VanDerWaalsContact CG1-CG1 3.44Å; V686-R705 WeakPolarHBondContact CA-O 3.43Å; V686-A888 HydrophobicContact CG1-CB 4.2Å; V686-A891 HydrophobicContact CG1-CB 3.8Å; V686-R892 HydrophobicContact CG2-CG 4.38Å; V686-L895 HydrophobicContact CG2-CD1 4.34Å
687	A	96.2	Very high	80.6	Confident	2 Å²	2	41.6 Å²	41.6	2%	0.017	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	131.3	171.6	0	0	0	0	0	109.6	V671 V704 R705 Q707 I721	V671-A687 HydrophobicContact CG2-CB 3.95Å; A687-V704 CarbonylContact O-C 3.37Å; A687-V704 WeakPolarHBondContact O-CA 3.24Å; A687-R705 PolarHBondContact N-O 2.83Å; A687-R705 PolarHBondContact O-N 3.29Å; A687-Q707 VanDerWaalsContact CB-OE1 3.29Å; A687-I721 HydrophobicContact CB-CG1 4.24Å; A687-I721 HydrophobicContact CB-CG2 4.01Å
688	A	97.4	Very high	82.8	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127.6	175.5	0	0	0	0	0	110	A669 D670 I703 V704 S884 A887 A888	A669-A688 VanDerWaalsContact CA-O 3.3Å; A669-A688 WeakPolarHBondContact CA-O 3.4Å; D670-A688 PolarHBondContact N-O 3.11Å; D670-A688 PolarHBondContact O-N 3.22Å; A688-I703 WeakPolarHBondContact CA-O 3.29Å; A688-V704 HydrophobicContact CB-CG1 4.26Å; A688-V704 HydrophobicContact CB-CG2 4.14Å; A688-S884 VanDerWaalsContact CB-O 3.26Å; A688-S884 WeakPolarHBondContact CB-O 3.19Å; A688-A887 HydrophobicContact CB-CB 3.99Å; A688-A888 HydrophobicContact CB-CB 3.83Å
689	V	98.3	Very high	85	Confident	2 Å²	2	37 Å²	37	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	124.7	175.4	-174	0	0	0	0	107.7	F667 A669 I703 I721 L724 L731 F749	F667-V689 HydrophobicContact CD1-CG1 4.1Å; A669-V689 HydrophobicContact CB-CG2 4.35Å; V689-I703 PolarHBondContact N-O 2.78Å; V689-I703 PolarHBondContact O-N 3.29Å; V689-I721 HydrophobicContact CG2-CD1 4.16Å; V689-I721 HydrophobicContact CG2-CG2 4.24Å; V689-L724 HydrophobicContact CG1-CD1 4.25Å; V689-L724 HydrophobicContact CG2-CD1 3.66Å; V689-L731 HydrophobicContact CB-CD1 4.39Å; V689-L731 HydrophobicContact CG1-CD1 3.82Å; V689-F749 HydrophobicContact CG1-CE2 4.36Å
690	V	98	Very high	87.6	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136.6	-179.7	172.7	0	0	0	0	108.3	F667 G668 Y700 G701 A702 A887	F667-V690 CarbonylContact C-O 3.59Å; F667-V690 WeakPolarHBondContact CA-O 3.23Å; G668-V690 PolarHBondContact N-O 3.5Å; G668-V690 PolarHBondContact O-N 3.37Å; V690-Y700 HydrophobicContact CG1-CD1 3.71Å; V690-Y700 HydrophobicContact CG1-CG 4.06Å; V690-G701 VanDerWaalsContact CA-O 3.26Å; V690-G701 WeakPolarHBondContact CA-O 3.29Å; V690-G701 WeakPolarHBondContact CG1-O 3.18Å; V690-A702 HydrophobicContact CG2-CB 3.79Å; V690-A887 HydrophobicContact CG2-CB 4.37Å
691	G	98	Very high	90	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	141.6	178.5	0	0	0	0	0	110.9	V666 V693 Y700 G701	V666-G691 CarbonylContact O-C 3.51Å; V666-G691 WeakPolarHBondContact O-CA 3.36Å; G691-V693 PolarHBondContact O-N 3.1Å; G691-Y700 VanDerWaalsContact O-CA 3.29Å; G691-Y700 WeakPolarHBondContact O-CA 3.44Å; G691-G701 PolarHBondContact N-O 3.11Å; G691-G701 PolarHBondContact O-N 2.83Å
692	S	97.5	Very high	92.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	130.4	169.2	62.1	0	0	0	0	108.8	M665 V666 L697 R699 Y735	M665-S692 WeakPolarHBondContact CE-O 3.45Å; V666-S692 PolarHBondContact N-OG 2.8Å; V666-S692 PolarHBondContact O-N 2.85Å; S692-L697 WeakPolarHBondContact OG-CD2 3.44Å; S692-R699 CarbonylContact C-O 3.53Å; S692-R699 WeakPolarHBondContact CA-O 3.3Å; S692-Y735 VanDerWaalsContact O-CD2 3.26Å; S692-Y735 WeakPolarHBondContact O-CD2 3.3Å
693	V	95.2	Very high	94.2	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.006	9%	0.093	C	C	.	.			trans	-112.7	2.4	-179.5	-62.8	0	0	0	0	112.2	G691 R699 L734 N738	G691-V693 PolarHBondContact O-N 3.1Å; V693-R699 HydrophobicContact CG2-CB 3.94Å; V693-R699 PolarHBondContact N-O 2.77Å; V693-L734 HydrophobicContact CG1-CB 3.84Å; V693-L734 HydrophobicContact CG1-CD1 4.44Å; V693-N738 WeakPolarHBondContact O-CB 3.31Å; V693-N738 PolarHBondContact O-ND2 3.49Å
694	S	93.9	Very high	95.5	Very high	8 Å²	8	12.7 Å²	12.7	6%	0.056	6%	0.062	C	C	.	.	S	Bend	trans	-125.1	149.2	173.2	81.7	0	0	0	0	110.9	E696 L697 R699	S694-E696 WeakPolarHBondContact CB-OE2 3.18Å; S694-E696 PolarHBondContact O-N 2.96Å; S694-E696 PolarHBondContact OG-OE2 3.38Å; S694-L697 PolarHBondContact O-N 3.46Å; S694-L697 VanDerWaalsContact O-N 3.1Å; S694-R699 PolarHBondContact OG-N 2.73Å
695	P	94.1	Very high	95.9	Very high	32 Å²	32	9.1 Å²	9.1	21%	0.208	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-29.3	179.8	-25.2	34.2	0	0	0	114.4	T657 L663 L697 T739	T657-P695 WeakPolarHBondContact CG2-O 3.39Å; L663-P695 HydrophobicContact CD2-CB 4.11Å; L663-P695 HydrophobicContact CD2-CG 4.49Å; P695-L697 PolarHBondContact O-N 3Å; P695-T739 HydrophobicContact CG-CG2 3.94Å
696	E	94.4	Very high	96	Very high	71 Å²	71	9.7 Å²	9.7	33%	0.332	5%	0.049	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-3.4	-177.5	-46.7	70.4	-149.1	0	0	112.3	I652 S694 M698	I652-E696 HydrophobicContact CD1-CB 4.28Å; I652-E696 HydrophobicContact CD1-CG 3.93Å; I652-E696 HydrophobicContact CG1-CB 4.42Å; I652-E696 HydrophobicContact CG2-CB 4.29Å; S694-E696 WeakPolarHBondContact CB-OE2 3.18Å; S694-E696 PolarHBondContact O-N 2.96Å; S694-E696 PolarHBondContact OG-OE2 3.38Å; E696-M698 HydrophobicContact CB-CG 4.29Å; E696-M698 PolarHBondContact O-N 3Å
697	L	96.5	Very high	96	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.049	C	C	.	.	S	Bend	trans	62.2	27	179.8	-48.9	179.4	0	0	0	114.2	L656 T657 I664 V666 S692 S694 P695 Y700 F860	L656-L697 HydrophobicContact CB-CD1 4.22Å; L656-L697 HydrophobicContact CD1-CB 4.5Å; T657-L697 HydrophobicContact CG2-CG 4.47Å; I664-L697 WeakPolarHBondContact O-CD2 3.39Å; V666-L697 HydrophobicContact CG2-CD1 3.88Å; V666-L697 HydrophobicContact CG2-CD2 4.12Å; S692-L697 WeakPolarHBondContact OG-CD2 3.44Å; S694-L697 PolarHBondContact O-N 3.46Å; S694-L697 VanDerWaalsContact O-N 3.1Å; P695-L697 PolarHBondContact O-N 3Å; L697-Y700 VanDerWaalsContact O-CE2 3.28Å; L697-Y700 WeakPolarHBondContact O-CE2 2.92Å; L697-Y700 VanDerWaalsContact O-CZ 3.25Å; L697-Y700 PolarHBondContact O-OH 3.07Å; L697-F860 HydrophobicContact CD1-CE2 4.17Å; L697-F860 HydrophobicContact CD1-CZ 3.92Å
698	M	96.2	Very high	95.5	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.067	C	C	.	.			trans	-105.3	-21.3	-178.1	-63.1	-52	-57.2	0	0	114.2	V649 W651 I652 V653 E696 A867 M869	V649-M698 HydrophobicContact CG1-CB 3.8Å; V649-M698 HydrophobicContact CG1-CG 4.12Å; V649-M698 HydrophobicContact CG2-CB 4.4Å; W651-M698 WeakPolarHBondContact O-CE 3.44Å; I652-M698 HydrophobicContact CG1-CG 4.29Å; V653-M698 HydrophobicContact CG2-SD 4.26Å; E696-M698 HydrophobicContact CB-CG 4.29Å; E696-M698 PolarHBondContact O-N 3Å; M698-A867 HydrophobicContact CE-CB 4.1Å; M698-A867 HydrophobicContact SD-CB 3.88Å; M698-M869 HydrophobicContact CE-CG 4.21Å
699	R	95.9	Very high	94.8	Very high	48 Å²	48	13.5 Å²	13.5	18%	0.181	8%	0.077	C	C	.	.			trans	-109.8	143.5	177.3	-67.5	179.3	58.8	-173.1	-2.3	111.2	V649 S692 V693 S694 D919	V649-R699 HydrophobicContact CG2-CG 3.89Å; S692-R699 CarbonylContact C-O 3.53Å; S692-R699 WeakPolarHBondContact CA-O 3.3Å; V693-R699 HydrophobicContact CG2-CB 3.94Å; V693-R699 PolarHBondContact N-O 2.77Å; S694-R699 PolarHBondContact OG-N 2.73Å; R699-D919 PolarHBondContact NH2-O 3.37Å
700	Y	97.2	Very high	94	Very high	1 Å²	1	16.4 Å²	16.4	0%	0.004	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	135.2	-172.2	-67.2	-91	0	0	0	112.4	V690 G691 L697 P880 Y883 M921	V690-Y700 HydrophobicContact CG1-CD1 3.71Å; V690-Y700 HydrophobicContact CG1-CG 4.06Å; G691-Y700 VanDerWaalsContact O-CA 3.29Å; G691-Y700 WeakPolarHBondContact O-CA 3.44Å; L697-Y700 VanDerWaalsContact O-CE2 3.28Å; L697-Y700 WeakPolarHBondContact O-CE2 2.92Å; L697-Y700 VanDerWaalsContact O-CZ 3.25Å; L697-Y700 PolarHBondContact O-OH 3.07Å; Y700-P880 HydrophobicContact CD1-CB 4.46Å; Y700-P880 HydrophobicContact CE1-CB 3.87Å; Y700-P880 HydrophobicContact CE1-CG 3.6Å; Y700-Y883 HydrophobicContact CD1-CD2 4.19Å; Y700-Y883 AromaticContact CD2-CD2 3.64Å; Y700-Y883 HydrophobicContact CD2-CD2 3.64Å; Y700-Y883 AromaticContact CD2-CE2 3.37Å; Y700-Y883 HydrophobicContact CD2-CE2 3.37Å; Y700-Y883 HydrophobicContact CE2-CD2 4.04Å; Y700-Y883 AromaticContact CE2-CE2 3.54Å; Y700-Y883 HydrophobicContact CE2-CE2 3.54Å; Y700-Y883 AromaticContact CG-CD2 3.73Å; Y700-Y883 HydrophobicContact CG-CD2 3.73Å; Y700-Y883 AromaticContact CG-CE2 3.98Å; Y700-Y883 HydrophobicContact CG-CE2 3.98Å; Y700-M921 HydrophobicContact CD2-SD 4.08Å; Y700-M921 WeakPolarHBondContact O-CG 3.33Å
701	G	96	Very high	93	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	152.3	166.5	0	0	0	0	0	110.4	V690 G691 L731	V690-G701 VanDerWaalsContact CA-O 3.26Å; V690-G701 WeakPolarHBondContact CA-O 3.29Å; V690-G701 WeakPolarHBondContact CG1-O 3.18Å; G691-G701 PolarHBondContact N-O 3.11Å; G691-G701 PolarHBondContact O-N 2.83Å; G701-L731 WeakPolarHBondContact O-CD2 3.22Å
702	A	96.9	Very high	91.8	Very high	8 Å²	8	30.5 Å²	30.5	7%	0.066	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	129.3	179.8	0	0	0	0	0	111.4	V690 A887 F922 F923	V690-A702 HydrophobicContact CG2-CB 3.79Å; A702-A887 HydrophobicContact CB-CB 4.02Å; A702-F922 HydrophobicContact CB-CE1 4.33Å; A702-F922 HydrophobicContact CB-CZ 4.39Å; A702-F923 HydrophobicContact CB-CD1 3.74Å; A702-F923 HydrophobicContact CB-CE1 3.52Å; A702-F923 HydrophobicContact CB-CZ 4.47Å
703	I	97.1	Very high	90.5	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.041	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	127.7	169.1	-53.9	-56.4	0	0	0	107.8	A688 V689 S727 E730 L731 R910	A688-I703 WeakPolarHBondContact CA-O 3.29Å; V689-I703 PolarHBondContact N-O 2.78Å; V689-I703 PolarHBondContact O-N 3.29Å; I703-S727 WeakPolarHBondContact CG2-OG 3.3Å; I703-E730 HydrophobicContact CD1-CB 4.05Å; I703-E730 VanDerWaalsContact CD1-OE2 3.26Å; I703-E730 WeakPolarHBondContact CD1-OE2 3.17Å; I703-E730 HydrophobicContact CG1-CB 4.2Å; I703-L731 HydrophobicContact CG1-CD1 4.28Å; I703-L731 HydrophobicContact CG1-CD2 4.11Å; I703-L731 HydrophobicContact CG1-CG 3.85Å; I703-R910 HydrophobicContact CG2-CG 4.44Å
704	V	96.1	Very high	89.1	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	129.8	-175.9	-166.8	0	0	0	0	109.4	V686 A687 A688 A887 A891 R910 F911	V686-V704 HydrophobicContact CG1-CG1 3.44Å; V686-V704 VanDerWaalsContact CG1-CG1 3.44Å; A687-V704 CarbonylContact O-C 3.37Å; A687-V704 WeakPolarHBondContact O-CA 3.24Å; A688-V704 HydrophobicContact CB-CG1 4.26Å; A688-V704 HydrophobicContact CB-CG2 4.14Å; V704-A887 HydrophobicContact CG2-CB 3.97Å; V704-A891 HydrophobicContact CB-CB 4.48Å; V704-A891 HydrophobicContact CG1-CB 3.52Å; V704-R910 WeakPolarHBondContact O-CA 3.37Å; V704-F911 HydrophobicContact CB-CD2 4.12Å; V704-F911 HydrophobicContact CG1-CD2 3.95Å; V704-F911 HydrophobicContact CG1-CE2 4.25Å; V704-F911 WeakPolarHBondContact O-CD2 3.34Å; V704-F911 PolarHBondContact O-N 2.99Å
705	R	95.3	Very high	88.1	Confident	7 Å²	7	49 Å²	49	3%	0.026	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	149.8	-177.5	-70.7	179.7	-174	-78.9	-3.6	111.3	V686 A687 S727 E730 Y908 D909 R910	V686-R705 WeakPolarHBondContact CA-O 3.43Å; A687-R705 PolarHBondContact N-O 2.83Å; A687-R705 PolarHBondContact O-N 3.29Å; R705-S727 PolarHBondContact NE-OG 3.12Å; R705-S727 VanDerWaalsContact NE-OG 3.13Å; R705-E730 IonicContact NH2-OE1 2.7Å; R705-E730 PolarHBondContact NH2-OE1 3.27Å; R705-E730 VanDerWaalsContact NH2-OE1 3.09Å; R705-Y908 PolarHBondContact NH1-O 3.02Å; R705-D909 CarbonylContact C-O 3.53Å; R705-D909 VanDerWaalsContact CA-O 3.22Å; R705-D909 WeakPolarHBondContact CA-O 3.47Å; R705-R910 HydrophobicContact CG-CB 3.79Å
706	Q	92.9	Very high	87.1	Confident	13 Å²	13	51.1 Å²	51.1	6%	0.061	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	148.5	160.7	-73.8	-161.5	-32.6	0	0	110	K684 S685 L905 D909 F911	K684-Q706 HydrophobicContact CB-CB 4.49Å; K684-Q706 HydrophobicContact CD-CB 4.11Å; S685-Q706 WeakPolarHBondContact O-CA 3.33Å; Q706-L905 HydrophobicContact CB-CD1 4.28Å; Q706-L905 HydrophobicContact CG-CD1 4.14Å; Q706-L905 HydrophobicContact CG-CD2 4.2Å; Q706-L905 VanDerWaalsContact OE1-CD1 3.23Å; Q706-D909 HydrophobicContact CB-CB 4.36Å; Q706-D909 PolarHBondContact N-O 3.34Å; Q706-D909 VanDerWaalsContact O-CB 3.25Å; Q706-D909 WeakPolarHBondContact O-CB 3.4Å; Q706-F911 HydrophobicContact CG-CE2 3.77Å; Q706-F911 HydrophobicContact CG-CZ 3.8Å
707	Q	92.4	Very high	86.5	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.009	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	163.6	171.2	61.8	-177	63.9	0	0	111.3	K684 S685 A687 T709 R718 I720 D722	K684-Q707 WeakPolarHBondContact CB-O 3.4Å; S685-Q707 PolarHBondContact N-O 3.23Å; S685-Q707 PolarHBondContact O-N 3.21Å; A687-Q707 VanDerWaalsContact CB-OE1 3.29Å; Q707-T709 PolarHBondContact O-N 3.29Å; Q707-R718 PolarHBondContact NE2-O 2.94Å; Q707-I720 PolarHBondContact NE2-O 3.42Å; Q707-D722 HydrophobicContact CB-CB 4.21Å; Q707-D722 VanDerWaalsContact CB-OD2 3.31Å; Q707-D722 WeakPolarHBondContact CB-OD2 3.34Å
708	A	86.3	Confident	86	Confident	48 Å²	48	52.8 Å²	52.8	40%	0.397	28%	0.28	S	S	.	.			trans	-57	140.2	175.4	0	0	0	0	0	110.5
709	T	82.8	Confident	85.7	Confident	32 Å²	32	53.9 Å²	53.9	20%	0.196	29%	0.285	C	S	.	.	S	Bend	trans	-75.3	-29	178.9	-64.6	0	0	0	0	113	P674 L683 K684 S685 Q707 T717 R718	P674-T709 HydrophobicContact CG-CG2 4.2Å; L683-T709 PolarHBondContact O-OG1 2.99Å; K684-T709 VanDerWaalsContact C-OG1 3.3Å; K684-T709 WeakPolarHBondContact CA-OG1 3.41Å; S685-T709 PolarHBondContact N-OG1 2.98Å; S685-T709 VanDerWaalsContact OG-CA 3.28Å; S685-T709 WeakPolarHBondContact OG-CA 3.47Å; S685-T709 PolarHBondContact OG-OG1 3.15Å; Q707-T709 PolarHBondContact O-N 3.29Å; T709-T717 WeakPolarHBondContact O-CA 3.34Å; T709-R718 PolarHBondContact O-N 2.97Å
710	T	81.7	Confident	85.6	Confident	64 Å²	64	52.2 Å²	52.2	39%	0.393	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-119.7	155.3	-178.9	59.9	0	0	0	0	111.9	N714 T716	T710-N714 WeakPolarHBondContact CB-O 3.48Å; T710-T716 CarbonylContact C-O 3.52Å; T710-T716 WeakPolarHBondContact CA-O 3.25Å; T710-T716 WeakPolarHBondContact CB-O 3.39Å
711	E	77.5	Confident	85.4	Confident	51 Å²	51	52.5 Å²	52.5	24%	0.238	28%	0.282	C	S	.	.			trans	-59.3	151.9	169	-64.1	-61.8	165.8	0	0	111.2	G713 N714 T716 R718	E711-G713 PolarHBondContact O-N 2.85Å; E711-G713 VanDerWaalsContact O-N 3.11Å; E711-N714 PolarHBondContact O-N 3.47Å; E711-N714 VanDerWaalsContact O-O 3.1Å; E711-T716 WeakPolarHBondContact CB-OG1 3.46Å; E711-T716 WeakPolarHBondContact CG-OG1 3.35Å; E711-T716 PolarHBondContact N-O 2.91Å; E711-R718 HydrophobicContact CG-CB 4.41Å; E711-R718 WeakPolarHBondContact OE1-CA 3.48Å; E711-R718 WeakPolarHBondContact OE1-CG 3.47Å; E711-R718 IonicContact OE1-NH1 2.8Å; E711-R718 IonicContact OE2-CZ 3.65Å; E711-R718 IonicContact OE2-NH1 3.72Å; E711-R718 PolarHBondContact OE2-NH1 2.95Å
712	R	71.6	Confident	85.3	Confident	244 Å²	244	54.5 Å²	54.5	92%	0.921	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	118	178.5	-67.6	-176.6	-178.2	-175.6	1.5	109.5
713	G	70.3	Confident	85.2	Confident	82 Å²	82	57.1 Å²	57.1	85%	0.845	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	-9.5	176.1	0	0	0	0	0	116.2	E711	E711-G713 PolarHBondContact O-N 2.85Å; E711-G713 VanDerWaalsContact O-N 3.11Å
714	N	66.9	Low	85.2	Confident	108 Å²	108	56.9 Å²	56.9	58%	0.578	30%	0.304	S	S	*	.	S	Bend	trans	-127.5	159.1	-178.4	-77.2	-15.8	0	0	0	112.4	T710 E711 T716	T710-N714 WeakPolarHBondContact CB-O 3.48Å; E711-N714 PolarHBondContact O-N 3.47Å; E711-N714 VanDerWaalsContact O-O 3.1Å; N714-T716 PolarHBondContact O-N 2.8Å
715	K	71	Confident	85.3	Confident	209 Å²	209	59.1 Å²	59.1	91%	0.909	31%	0.314	S	S	*	.	S	Bend	trans	-82.6	10.6	176.2	-66	-176.6	179.7	177.7	0	113.6
716	T	74.8	Confident	85.4	Confident	75 Å²	75	61.2 Å²	61.2	46%	0.46	33%	0.326	S	S	.	.	S	Bend	trans	-78	135	-179.5	47.3	0	0	0	0	110.2	T710 E711 N714 R718	T710-T716 CarbonylContact C-O 3.52Å; T710-T716 WeakPolarHBondContact CA-O 3.25Å; T710-T716 WeakPolarHBondContact CB-O 3.39Å; E711-T716 WeakPolarHBondContact CB-OG1 3.46Å; E711-T716 WeakPolarHBondContact CG-OG1 3.35Å; E711-T716 PolarHBondContact N-O 2.91Å; N714-T716 PolarHBondContact O-N 2.8Å; T716-R718 PolarHBondContact O-N 2.83Å
717	T	80.9	Confident	85.6	Confident	62 Å²	62	60.7 Å²	60.7	38%	0.38	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-61.1	131.1	175.9	-54.4	0	0	0	0	110.7	H673 T709	H673-T717 WeakPolarHBondContact CE1-CG2 3.45Å; H673-T717 WeakPolarHBondContact ND1-CG2 3.5Å; H673-T717 VanDerWaalsContact NE2-CG2 3.26Å; H673-T717 WeakPolarHBondContact NE2-CG2 3.36Å; T709-T717 WeakPolarHBondContact O-CA 3.34Å
718	R	86.2	Confident	85.9	Confident	44 Å²	44	60.6 Å²	60.6	17%	0.166	32%	0.323	C	S	.	.			trans	-88.2	107.4	176.8	-178.4	170	-178.4	84.7	5.2	110.3	H673 Q707 T709 E711 T716 D722	H673-R718 PolarHBondContact CE1-O 2.94Å; Q707-R718 PolarHBondContact NE2-O 2.94Å; T709-R718 PolarHBondContact O-N 2.97Å; E711-R718 HydrophobicContact CG-CB 4.41Å; E711-R718 WeakPolarHBondContact OE1-CA 3.48Å; E711-R718 WeakPolarHBondContact OE1-CG 3.47Å; E711-R718 IonicContact OE1-NH1 2.8Å; E711-R718 IonicContact OE2-CZ 3.65Å; E711-R718 IonicContact OE2-NH1 3.72Å; E711-R718 PolarHBondContact OE2-NH1 2.95Å; T716-R718 PolarHBondContact O-N 2.83Å; R718-D722 IonicContact CZ-OD1 3.29Å; R718-D722 VanDerWaalsContact CZ-OD1 3.3Å; R718-D722 IonicContact NE-OD1 3.9Å; R718-D722 PolarHBondContact NE-OD1 2.9Å; R718-D722 IonicContact NE-OD2 2.63Å; R718-D722 IonicContact NH2-OD1 3.27Å; R718-D722 PolarHBondContact NH2-OD1 3.37Å
719	E	90	Very high	86.4	Confident	23 Å²	23	58.8 Å²	58.8	11%	0.107	31%	0.309	C	S	.	.			trans	-94.2	-21.2	-178	-70.6	-67.5	168.7	0	0	113.8	H673 R751 Q758	H673-E719 IonicContact CD2-OE1 3.56Å; H673-E719 VanDerWaalsContact NE2-CD 3.34Å; H673-E719 IonicContact NE2-OE1 3.24Å; H673-E719 PolarHBondContact NE2-OE1 2.87Å; H673-E719 IonicContact NE2-OE2 3.61Å; H673-E719 PolarHBondContact NE2-OE2 3.46Å; E719-R751 PolarHBondContact O-NH2 2.75Å; E719-R751 IonicContact OE2-NH2 2.75Å; E719-Q758 VanDerWaalsContact CG-NE2 3.27Å
720	I	92.8	Very high	87.1	Confident	13 Å²	13	59.7 Å²	59.7	7%	0.067	31%	0.311	C	S	.	.	S	Bend	trans	-70.4	134	-178.3	-55.3	177.7	0	0	0	109.3	Q707 D722 N761 V762 E765 E766	Q707-I720 PolarHBondContact NE2-O 3.42Å; I720-D722 PolarHBondContact O-N 3.17Å; I720-N761 HydrophobicContact CD1-CB 4.24Å; I720-V762 HydrophobicContact CG1-CG2 4.21Å; I720-E765 HydrophobicContact CD1-CB 4.47Å; I720-E765 HydrophobicContact CD1-CG 4.18Å; I720-E765 VanDerWaalsContact CD1-OE1 3.25Å; I720-E765 WeakPolarHBondContact CD1-OE1 3.48Å; I720-E765 HydrophobicContact CG2-CB 3.9Å; I720-E765 WeakPolarHBondContact CG2-OE2 3.45Å; I720-E766 HydrophobicContact CG2-CG 4.38Å
721	I	94.8	Very high	87.8	Confident	8 Å²	8	56.7 Å²	56.7	4%	0.041	29%	0.292	C	S	.	.			trans	-77.2	114.7	-178.8	-62.6	171.6	0	0	0	110.7	A669 V671 A687 V689 L724 E766	A669-I721 HydrophobicContact CB-CD1 3.74Å; V671-I721 HydrophobicContact CG2-CD1 4.37Å; V671-I721 HydrophobicContact CG2-CG1 3.72Å; A687-I721 HydrophobicContact CB-CG1 4.24Å; A687-I721 HydrophobicContact CB-CG2 4.01Å; V689-I721 HydrophobicContact CG2-CD1 4.16Å; V689-I721 HydrophobicContact CG2-CG2 4.24Å; I721-L724 HydrophobicContact CB-CB 4.31Å; I721-L724 HydrophobicContact CB-CD1 4.48Å; I721-L724 HydrophobicContact CD1-CD1 4.48Å; I721-L724 HydrophobicContact CG2-CB 4.07Å; I721-L724 HydrophobicContact CG2-CD1 4.07Å; I721-E766 WeakPolarHBondContact CG1-OE1 3.42Å; I721-E766 PolarHBondContact N-OE1 2.65Å
722	D	93	Very high	88.7	Confident	42 Å²	42	54.2 Å²	54.2	23%	0.225	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	139.1	176.7	-70.2	-18	0	0	0	110.8	Q707 R718 I720 L724	Q707-D722 HydrophobicContact CB-CB 4.21Å; Q707-D722 VanDerWaalsContact CB-OD2 3.31Å; Q707-D722 WeakPolarHBondContact CB-OD2 3.34Å; R718-D722 IonicContact CZ-OD1 3.29Å; R718-D722 VanDerWaalsContact CZ-OD1 3.3Å; R718-D722 IonicContact NE-OD1 3.9Å; R718-D722 PolarHBondContact NE-OD1 2.9Å; R718-D722 IonicContact NE-OD2 2.63Å; R718-D722 IonicContact NH2-OD1 3.27Å; R718-D722 PolarHBondContact NH2-OD1 3.37Å; I720-D722 PolarHBondContact O-N 3.17Å; D722-L724 PolarHBondContact O-N 2.96Å
723	N	93.9	Very high	89.9	Confident	62 Å²	62	46.2 Å²	46.2	33%	0.332	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	34	178.4	-60	-44.8	0	0	0	114.2	H725 L726 S727	N723-H725 PolarHBondContact O-N 2.92Å; N723-L726 HydrophobicContact CB-CD1 4Å; N723-L726 HydrophobicContact CB-CG 4.29Å; N723-L726 WeakPolarHBondContact O-CB 3.31Å; N723-L726 PolarHBondContact O-N 2.79Å; N723-S727 PolarHBondContact O-N 3.18Å
724	L	97.8	Very high	91.1	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-53.9	-38.7	-179.9	179.2	61.6	0	0	0	112.6	V689 I721 D722 L726 S727 V728 F749 E766 A769 I770	V689-L724 HydrophobicContact CG1-CD1 4.25Å; V689-L724 HydrophobicContact CG2-CD1 3.66Å; I721-L724 HydrophobicContact CB-CB 4.31Å; I721-L724 HydrophobicContact CB-CD1 4.48Å; I721-L724 HydrophobicContact CD1-CD1 4.48Å; I721-L724 HydrophobicContact CG2-CB 4.07Å; I721-L724 HydrophobicContact CG2-CD1 4.07Å; D722-L724 PolarHBondContact O-N 2.96Å; L724-L726 VanDerWaalsContact C-N 3.27Å; L724-L726 PolarHBondContact O-N 2.88Å; L724-S727 WeakPolarHBondContact O-CB 3.47Å; L724-S727 PolarHBondContact O-N 2.73Å; L724-S727 VanDerWaalsContact O-N 3.08Å; L724-V728 HydrophobicContact CD1-CG2 3.88Å; L724-V728 HydrophobicContact CG-CG2 4.02Å; L724-V728 WeakPolarHBondContact O-CG2 3.45Å; L724-V728 PolarHBondContact O-N 3.08Å; L724-F749 HydrophobicContact CD1-CE2 4.37Å; L724-F749 HydrophobicContact CD1-CZ 4.19Å; L724-F749 HydrophobicContact CD2-CZ 4.36Å; L724-E766 HydrophobicContact CD2-CB 3.47Å; L724-E766 VanDerWaalsContact CD2-CB 3.47Å; L724-E766 HydrophobicContact CD2-CG 3.69Å; L724-A769 HydrophobicContact CB-CB 3.9Å; L724-A769 HydrophobicContact CD2-CB 4.23Å; L724-A769 HydrophobicContact CG-CB 4.24Å; L724-I770 HydrophobicContact CD2-CG1 4.23Å
725	H	97.7	Very high	92.5	Very high	49 Å²	49	38.6 Å²	38.6	23%	0.227	20%	0.199	C	C	.	.	H	α-helix	trans	-57.7	-36.7	178.8	65.5	-78.3	0	0	0	112.9	N723 G729 A769 K772 A773	N723-H725 PolarHBondContact O-N 2.92Å; H725-G729 PolarHBondContact O-N 3.1Å; H725-A769 WeakPolarHBondContact CA-O 3.23Å; H725-A769 HydrophobicContact CB-CB 4.12Å; H725-A769 VanDerWaalsContact CB-O 3.22Å; H725-A769 WeakPolarHBondContact CB-O 3.49Å; H725-K772 HydrophobicContact CB-CB 4.5Å; H725-K772 HydrophobicContact CB-CG 4.39Å; H725-A773 HydrophobicContact CB-CB 4.32Å; H725-A773 VanDerWaalsContact O-CB 3.25Å; H725-A773 WeakPolarHBondContact O-CB 3.35Å
726	L	97.6	Very high	93.7	Very high	52 Å²	52	30 Å²	30	27%	0.272	16%	0.162	S	C	.	.	H	α-helix	trans	-67.1	-47	174.8	-60.7	-177.6	0	0	0	110.9	N723 L724 V728 G729 E730 Y908	N723-L726 HydrophobicContact CB-CD1 4Å; N723-L726 HydrophobicContact CB-CG 4.29Å; N723-L726 WeakPolarHBondContact O-CB 3.31Å; N723-L726 PolarHBondContact O-N 2.79Å; L724-L726 VanDerWaalsContact C-N 3.27Å; L724-L726 PolarHBondContact O-N 2.88Å; L726-V728 VanDerWaalsContact C-N 3.34Å; L726-V728 PolarHBondContact O-N 2.83Å; L726-G729 PolarHBondContact O-N 2.88Å; L726-E730 WeakPolarHBondContact O-CG 3.38Å; L726-E730 PolarHBondContact O-N 3.31Å; L726-Y908 HydrophobicContact CD1-CD1 3.8Å; L726-Y908 HydrophobicContact CD1-CE1 4.25Å; L726-Y908 HydrophobicContact CD1-CG 3.96Å
727	S	97.4	Very high	94.6	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.014	17%	0.171	C	C	.	.	H	α-helix	trans	-61.5	-42.5	179.7	-56.1	0	0	0	0	112	I703 R705 N723 L724 L731	I703-S727 WeakPolarHBondContact CG2-OG 3.3Å; R705-S727 PolarHBondContact NE-OG 3.12Å; R705-S727 VanDerWaalsContact NE-OG 3.13Å; N723-S727 PolarHBondContact O-N 3.18Å; L724-S727 WeakPolarHBondContact O-CB 3.47Å; L724-S727 PolarHBondContact O-N 2.73Å; L724-S727 VanDerWaalsContact O-N 3.08Å; S727-L731 VanDerWaalsContact O-CG 3.31Å; S727-L731 WeakPolarHBondContact O-CG 3.44Å; S727-L731 PolarHBondContact O-N 3.06Å; S727-L731 VanDerWaalsContact O-N 3.17Å
728	V	98.3	Very high	95.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.4	-44.3	175.7	174.4	0	0	0	0	110.7	F667 L724 L726 E730 L731 L732 I770 A773	F667-V728 HydrophobicContact CE1-CG1 4.31Å; F667-V728 HydrophobicContact CE1-CG2 4.36Å; F667-V728 HydrophobicContact CZ-CG1 4.09Å; L724-V728 HydrophobicContact CD1-CG2 3.88Å; L724-V728 HydrophobicContact CG-CG2 4.02Å; L724-V728 WeakPolarHBondContact O-CG2 3.45Å; L724-V728 PolarHBondContact O-N 3.08Å; L726-V728 VanDerWaalsContact C-N 3.34Å; L726-V728 PolarHBondContact O-N 2.83Å; V728-E730 PolarHBondContact O-N 2.95Å; V728-L731 PolarHBondContact O-N 3.27Å; V728-L732 HydrophobicContact CG1-CD1 3.85Å; V728-L732 HydrophobicContact CG1-CG 4.28Å; V728-L732 WeakPolarHBondContact O-CB 3.27Å; V728-L732 WeakPolarHBondContact O-CG 3.27Å; V728-L732 PolarHBondContact O-N 3.32Å; V728-I770 HydrophobicContact CG2-CG1 4.13Å; V728-A773 HydrophobicContact CB-CB 3.74Å; V728-A773 HydrophobicContact CG1-CB 3.59Å
729	G	97.7	Very high	95.6	Very high	9 Å²	9	32.5 Å²	32.5	9%	0.093	16%	0.161	C	C	.	.	H	α-helix	trans	-61.2	-41.2	178.4	0	0	0	0	0	113.3	H725 L726 L732 T733	H725-G729 PolarHBondContact O-N 3.1Å; L726-G729 PolarHBondContact O-N 2.88Å; G729-L732 PolarHBondContact O-N 3.36Å; G729-T733 WeakPolarHBondContact O-CB 3.48Å; G729-T733 PolarHBondContact O-N 2.75Å; G729-T733 PolarHBondContact O-OG1 3.41Å
730	E	96.2	Very high	95.8	Very high	52 Å²	52	40.9 Å²	40.9	24%	0.243	20%	0.197	C	C	.	.	H	α-helix	trans	-62.4	-46.1	174.1	-73	-177.9	-117.3	0	0	112	I703 R705 L726 V728 T733 L734 R910	I703-E730 HydrophobicContact CD1-CB 4.05Å; I703-E730 VanDerWaalsContact CD1-OE2 3.26Å; I703-E730 WeakPolarHBondContact CD1-OE2 3.17Å; I703-E730 HydrophobicContact CG1-CB 4.2Å; R705-E730 IonicContact NH2-OE1 2.7Å; R705-E730 PolarHBondContact NH2-OE1 3.27Å; R705-E730 VanDerWaalsContact NH2-OE1 3.09Å; L726-E730 WeakPolarHBondContact O-CG 3.38Å; L726-E730 PolarHBondContact O-N 3.31Å; V728-E730 PolarHBondContact O-N 2.95Å; E730-T733 WeakPolarHBondContact O-CB 3.47Å; E730-T733 PolarHBondContact O-N 3.21Å; E730-L734 PolarHBondContact O-N 2.8Å; E730-R910 WeakPolarHBondContact OE1-CD 3.24Å; E730-R910 IonicContact OE1-CZ 2.82Å; E730-R910 IonicContact OE1-NE 2.78Å; E730-R910 PolarHBondContact OE1-NE 3.49Å; E730-R910 IonicContact OE2-CZ 3.62Å; E730-R910 IonicContact OE2-NE 3.72Å; E730-R910 PolarHBondContact OE2-NE 3.08Å; E730-R910 IonicContact OE2-NH2 3.64Å; E730-R910 PolarHBondContact OE2-NH2 2.8Å
731	L	97.4	Very high	95.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-67.3	-38.8	178.7	-70.3	168.2	0	0	0	112.1	M665 F667 V689 G701 I703 S727 V728 T733 L734 Y735	M665-L731 HydrophobicContact CE-CB 3.85Å; M665-L731 WeakPolarHBondContact CE-O 3.46Å; F667-L731 HydrophobicContact CD1-CD1 3.98Å; F667-L731 HydrophobicContact CE1-CB 3.89Å; F667-L731 HydrophobicContact CE1-CD1 3.72Å; F667-L731 HydrophobicContact CE1-CG 4.47Å; F667-L731 HydrophobicContact CZ-CB 4.49Å; V689-L731 HydrophobicContact CB-CD1 4.39Å; V689-L731 HydrophobicContact CG1-CD1 3.82Å; G701-L731 WeakPolarHBondContact O-CD2 3.22Å; I703-L731 HydrophobicContact CG1-CD1 4.28Å; I703-L731 HydrophobicContact CG1-CD2 4.11Å; I703-L731 HydrophobicContact CG1-CG 3.85Å; S727-L731 VanDerWaalsContact O-CG 3.31Å; S727-L731 WeakPolarHBondContact O-CG 3.44Å; S727-L731 PolarHBondContact O-N 3.06Å; S727-L731 VanDerWaalsContact O-N 3.17Å; V728-L731 PolarHBondContact O-N 3.27Å; L731-T733 VanDerWaalsContact C-N 3.31Å; L731-T733 PolarHBondContact O-N 3.5Å; L731-L734 HydrophobicContact CD2-CD1 4.43Å; L731-L734 PolarHBondContact O-N 2.87Å; L731-Y735 PolarHBondContact O-N 3.41Å
732	L	97.4	Very high	95.9	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.3	-42.8	172.2	-81.7	169.4	0	0	0	110.8	M665 V728 G729 L734 Y735 L736 F743 P744 I747 I777	M665-L732 HydrophobicContact SD-CD2 3.67Å; M665-L732 HydrophobicContact SD-CG 4.34Å; V728-L732 HydrophobicContact CG1-CD1 3.85Å; V728-L732 HydrophobicContact CG1-CG 4.28Å; V728-L732 WeakPolarHBondContact O-CB 3.27Å; V728-L732 WeakPolarHBondContact O-CG 3.27Å; V728-L732 PolarHBondContact O-N 3.32Å; G729-L732 PolarHBondContact O-N 3.36Å; L732-L734 VanDerWaalsContact C-N 3.32Å; L732-L734 PolarHBondContact O-N 3.26Å; L732-Y735 WeakPolarHBondContact O-CB 3.27Å; L732-Y735 PolarHBondContact O-N 3.03Å; L732-Y735 VanDerWaalsContact O-N 3.16Å; L732-L736 VanDerWaalsContact O-CG 3.28Å; L732-L736 WeakPolarHBondContact O-CG 3.48Å; L732-L736 PolarHBondContact O-N 3.44Å; L732-F743 HydrophobicContact CD1-CZ 4.46Å; L732-F743 HydrophobicContact CD2-CE2 4.31Å; L732-F743 HydrophobicContact CD2-CZ 4.25Å; L732-P744 HydrophobicContact CD2-CG 3.88Å; L732-I747 HydrophobicContact CD2-CD1 4.37Å; L732-I777 HydrophobicContact CB-CG1 4.41Å; L732-I777 HydrophobicContact CD1-CG1 4.46Å
733	T	96.4	Very high	96.1	Very high	75 Å²	75	46.5 Å²	46.5	46%	0.46	22%	0.224	S	C	.	.	H	α-helix	trans	-60.4	-42.8	176.1	-58.2	0	0	0	0	111.4	G729 E730 L731 L736 R737	G729-T733 WeakPolarHBondContact O-CB 3.48Å; G729-T733 PolarHBondContact O-N 2.75Å; G729-T733 PolarHBondContact O-OG1 3.41Å; E730-T733 WeakPolarHBondContact O-CB 3.47Å; E730-T733 PolarHBondContact O-N 3.21Å; L731-T733 VanDerWaalsContact C-N 3.31Å; L731-T733 PolarHBondContact O-N 3.5Å; T733-L736 PolarHBondContact O-N 3.23Å; T733-R737 PolarHBondContact O-N 3.01Å
734	L	94.7	Very high	96.2	Very high	31 Å²	31	43.5 Å²	43.5	16%	0.162	21%	0.209	C	C	.	.	H	α-helix	trans	-63.4	-41.4	174.3	-69.4	177	0	0	0	112.2	V693 E730 L731 L732 R737 N738	V693-L734 HydrophobicContact CG1-CB 3.84Å; V693-L734 HydrophobicContact CG1-CD1 4.44Å; E730-L734 PolarHBondContact O-N 2.8Å; L731-L734 HydrophobicContact CD2-CD1 4.43Å; L731-L734 PolarHBondContact O-N 2.87Å; L732-L734 VanDerWaalsContact C-N 3.32Å; L732-L734 PolarHBondContact O-N 3.26Å; L734-R737 PolarHBondContact O-N 3.23Å; L734-N738 PolarHBondContact O-N 2.95Å; L734-N738 PolarHBondContact O-ND2 3.2Å
735	Y	96.3	Very high	96.2	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61	-50.6	175.3	-174.1	-95.8	0	0	0	111.2	L663 I664 M665 S692 L731 L732 R737 N738 T739 P744	L663-Y735 WeakPolarHBondContact CB-OH 3.43Å; I664-Y735 PolarHBondContact O-OH 3.02Å; M665-Y735 HydrophobicContact CB-CD2 4.44Å; M665-Y735 HydrophobicContact CB-CE2 4.23Å; M665-Y735 HydrophobicContact CE-CG 4.5Å; M665-Y735 HydrophobicContact CG-CD2 4.04Å; M665-Y735 HydrophobicContact CG-CE2 4.27Å; M665-Y735 HydrophobicContact CG-CG 4.4Å; M665-Y735 HydrophobicContact SD-CD1 4.42Å; M665-Y735 HydrophobicContact SD-CD2 4.09Å; M665-Y735 HydrophobicContact SD-CG 3.87Å; S692-Y735 VanDerWaalsContact O-CD2 3.26Å; S692-Y735 WeakPolarHBondContact O-CD2 3.3Å; L731-Y735 PolarHBondContact O-N 3.41Å; L732-Y735 WeakPolarHBondContact O-CB 3.27Å; L732-Y735 PolarHBondContact O-N 3.03Å; L732-Y735 VanDerWaalsContact O-N 3.16Å; Y735-R737 VanDerWaalsContact C-N 3.29Å; Y735-R737 PolarHBondContact O-N 3.41Å; Y735-N738 CarbonylContact O-C 3.59Å; Y735-N738 WeakPolarHBondContact O-CA 3.3Å; Y735-N738 PolarHBondContact O-N 3.06Å; Y735-T739 HydrophobicContact CD1-CG2 3.71Å; Y735-T739 HydrophobicContact CD2-CG2 4.27Å; Y735-T739 HydrophobicContact CE1-CG2 3.38Å; Y735-T739 HydrophobicContact CE2-CG2 4.02Å; Y735-T739 HydrophobicContact CG-CG2 4.16Å; Y735-T739 WeakPolarHBondContact O-CG2 3.48Å; Y735-T739 PolarHBondContact O-N 3.17Å; Y735-T739 PolarHBondContact O-OG1 3.22Å; Y735-P744 HydrophobicContact CD1-CG 4.35Å; Y735-P744 HydrophobicContact CE1-CB 3.94Å; Y735-P744 HydrophobicContact CE1-CG 4.19Å
736	L	96.3	Very high	96.1	Very high	27 Å²	27	48.3 Å²	48.3	14%	0.141	23%	0.227	C	C	.	.	H	α-helix	trans	-57.2	-40.8	179	-70	178.8	0	0	0	112.4	L732 T733 N738 T739 K740 G741 R742 F743 I777	L732-L736 VanDerWaalsContact O-CG 3.28Å; L732-L736 WeakPolarHBondContact O-CG 3.48Å; L732-L736 PolarHBondContact O-N 3.44Å; T733-L736 PolarHBondContact O-N 3.23Å; L736-N738 VanDerWaalsContact C-N 3.27Å; L736-N738 PolarHBondContact O-N 2.86Å; L736-T739 WeakPolarHBondContact CA-OG1 3.29Å; L736-T739 PolarHBondContact O-N 3.26Å; L736-T739 PolarHBondContact O-OG1 3.24Å; L736-K740 PolarHBondContact O-N 3.42Å; L736-G741 WeakPolarHBondContact O-CA 3.41Å; L736-G741 PolarHBondContact O-N 3.49Å; L736-R742 WeakPolarHBondContact CD2-O 3.47Å; L736-F743 HydrophobicContact CD1-CD2 4.34Å; L736-F743 HydrophobicContact CD2-CB 4.28Å; L736-F743 HydrophobicContact CD2-CD2 3.96Å; L736-I777 HydrophobicContact CD1-CG2 3.63Å
737	R	94.2	Very high	96.2	Very high	172 Å²	172	45.8 Å²	45.8	65%	0.649	21%	0.214	S	C	*	.	H	α-helix	trans	-57	-42.3	174.3	178	-179.6	167.7	-170.9	-6	111.7	T733 L734 Y735	T733-R737 PolarHBondContact O-N 3.01Å; L734-R737 PolarHBondContact O-N 3.23Å; Y735-R737 VanDerWaalsContact C-N 3.29Å; Y735-R737 PolarHBondContact O-N 3.41Å
738	N	92.8	Very high	96.2	Very high	62 Å²	62	45.7 Å²	45.7	33%	0.332	21%	0.213	S	C	.	.	H	α-helix	trans	-84.7	-16.4	-177.1	-67	-22.2	0	0	0	113.6	V693 L734 Y735 L736	V693-N738 WeakPolarHBondContact O-CB 3.31Å; V693-N738 PolarHBondContact O-ND2 3.49Å; L734-N738 PolarHBondContact O-N 2.95Å; L734-N738 PolarHBondContact O-ND2 3.2Å; Y735-N738 CarbonylContact O-C 3.59Å; Y735-N738 WeakPolarHBondContact O-CA 3.3Å; Y735-N738 PolarHBondContact O-N 3.06Å; L736-N738 VanDerWaalsContact C-N 3.27Å; L736-N738 PolarHBondContact O-N 2.86Å
739	T	94.5	Very high	96.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	12.1	176.9	64.5	0	0	0	0	114	L663 P695 Y735 L736 G741 R742	L663-T739 HydrophobicContact CD1-CG2 4.45Å; P695-T739 HydrophobicContact CG-CG2 3.94Å; Y735-T739 HydrophobicContact CD1-CG2 3.71Å; Y735-T739 HydrophobicContact CD2-CG2 4.27Å; Y735-T739 HydrophobicContact CE1-CG2 3.38Å; Y735-T739 HydrophobicContact CE2-CG2 4.02Å; Y735-T739 HydrophobicContact CG-CG2 4.16Å; Y735-T739 WeakPolarHBondContact O-CG2 3.48Å; Y735-T739 PolarHBondContact O-N 3.17Å; Y735-T739 PolarHBondContact O-OG1 3.22Å; L736-T739 WeakPolarHBondContact CA-OG1 3.29Å; L736-T739 PolarHBondContact O-N 3.26Å; L736-T739 PolarHBondContact O-OG1 3.24Å; T739-G741 VanDerWaalsContact C-N 3.28Å; T739-G741 PolarHBondContact O-N 2.79Å; T739-R742 WeakPolarHBondContact O-CG 3.27Å; T739-R742 PolarHBondContact O-N 3.28Å; T739-R742 PolarHBondContact O-NE 2.9Å; T739-R742 PolarHBondContact OG1-N 2.82Å; T739-R742 PolarHBondContact OG1-O 3.3Å
740	K	94.3	Very high	96.3	Very high	200 Å²	200	45.3 Å²	45.3	87%	0.87	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	41	-175.2	-54.8	178.8	-178.9	179	0	112.1	L736 R742	L736-K740 PolarHBondContact O-N 3.42Å; K740-R742 VanDerWaalsContact C-N 3.35Å; K740-R742 PolarHBondContact O-N 3.38Å
741	G	95.1	Very high	96.4	Very high	33 Å²	33	42.8 Å²	42.8	34%	0.34	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	10.1	177.6	0	0	0	0	0	114.9	L736 T739 R778	L736-G741 WeakPolarHBondContact O-CA 3.41Å; L736-G741 PolarHBondContact O-N 3.49Å; T739-G741 VanDerWaalsContact C-N 3.28Å; T739-G741 PolarHBondContact O-N 2.79Å; G741-R778 PolarHBondContact O-NH1 2.87Å
742	R	95.3	Very high	96.3	Very high	137 Å²	137	43 Å²	43	52%	0.517	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-82.3	124.3	177	-63.2	178.5	-64.5	164	5.2	110.6	L663 L736 T739 K740	L663-R742 HydrophobicContact CD1-CB 3.4Å; L663-R742 VanDerWaalsContact CD1-CB 3.4Å; L663-R742 HydrophobicContact CD1-CG 4.47Å; L736-R742 WeakPolarHBondContact CD2-O 3.47Å; T739-R742 WeakPolarHBondContact O-CG 3.27Å; T739-R742 PolarHBondContact O-N 3.28Å; T739-R742 PolarHBondContact O-NE 2.9Å; T739-R742 PolarHBondContact OG1-N 2.82Å; T739-R742 PolarHBondContact OG1-O 3.3Å; K740-R742 VanDerWaalsContact C-N 3.35Å; K740-R742 PolarHBondContact O-N 3.38Å
743	F	96.7	Very high	95.8	Very high	10 Å²	10	44 Å²	44	4%	0.044	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-77.3	141	-178.1	-157.9	-95.5	0	0	0	111.1	L732 L736 C774 I777 R778 E781 P783	L732-F743 HydrophobicContact CD1-CZ 4.46Å; L732-F743 HydrophobicContact CD2-CE2 4.31Å; L732-F743 HydrophobicContact CD2-CZ 4.25Å; L736-F743 HydrophobicContact CD1-CD2 4.34Å; L736-F743 HydrophobicContact CD2-CB 4.28Å; L736-F743 HydrophobicContact CD2-CD2 3.96Å; F743-C774 HydrophobicContact CZ-CB 4.1Å; F743-I777 HydrophobicContact CE2-CG2 4.23Å; F743-R778 HydrophobicContact CD2-CB 3.79Å; F743-R778 HydrophobicContact CD2-CG 4.4Å; F743-R778 HydrophobicContact CE2-CB 3.78Å; F743-E781 HydrophobicContact CD1-CB 3.97Å; F743-E781 HydrophobicContact CE1-CB 4.26Å; F743-E781 HydrophobicContact CG-CB 4.32Å; F743-P783 HydrophobicContact CE1-CB 4.32Å; F743-P783 HydrophobicContact CE1-CG 3.92Å
744	P	96.9	Very high	95.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-63.8	140.1	175	27.7	-34.1	0	0	0	110.2	L663 M665 L732 Y735 I747 P783	L663-P744 CarbonylContact O-C 3.56Å; L663-P744 WeakPolarHBondContact O-CA 3.47Å; M665-P744 HydrophobicContact CB-CB 3.92Å; M665-P744 HydrophobicContact CB-CG 4.16Å; L732-P744 HydrophobicContact CD2-CG 3.88Å; Y735-P744 HydrophobicContact CD1-CG 4.35Å; Y735-P744 HydrophobicContact CE1-CB 3.94Å; Y735-P744 HydrophobicContact CE1-CG 4.19Å; P744-I747 HydrophobicContact CG-CG1 4.41Å; P744-P783 WeakPolarHBondContact O-CB 3.48Å
745	K	96.5	Very high	95.2	Very high	98 Å²	98	41.8 Å²	41.8	43%	0.426	20%	0.199	S	C	.	.	S	Bend	trans	-89.7	-17.9	174.1	-65.4	-61.3	-179.5	-174.6	0	112.5	D662 L663 E781 P783 A784	D662-K745 HydrophobicContact CB-CB 4.05Å; L663-K745 PolarHBondContact O-N 2.94Å; K745-E781 IonicContact NZ-OE1 2.86Å; K745-E781 IonicContact NZ-OE2 3.95Å; K745-E781 PolarHBondContact NZ-OE2 2.82Å; K745-P783 WeakPolarHBondContact O-CA 3.38Å; K745-A784 PolarHBondContact O-N 3.22Å
746	R	97	Very high	94.8	Very high	54 Å²	54	44.5 Å²	44.5	20%	0.204	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	139.9	173.3	-54.5	-172.3	-174.8	149.4	9.2	111.6	D662 L663 I664 M665 A784	D662-R746 IonicContact OD2-CZ 3.09Å; D662-R746 IonicContact OD2-NE 3.97Å; D662-R746 IonicContact OD2-NH2 2.97Å; D662-R746 PolarHBondContact OD2-NH2 3.32Å; L663-R746 PolarHBondContact O-N 3.29Å; I664-R746 WeakPolarHBondContact CA-O 3.43Å; I664-R746 HydrophobicContact CG1-CB 4.33Å; M665-R746 PolarHBondContact N-O 2.79Å; R746-A784 CarbonylContact C-O 3.57Å; R746-A784 VanDerWaalsContact CA-O 3.29Å; R746-A784 WeakPolarHBondContact CA-O 3.29Å; R746-A784 HydrophobicContact CG-CB 4.33Å
747	I	98.1	Very high	94.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.4	172	-69.7	-179.9	0	0	0	108.5	M665 F667 L732 P744 I770 C774 P783 A784 I785 T786	M665-I747 WeakPolarHBondContact O-CA 3.45Å; F667-I747 HydrophobicContact CD2-CG2 3.8Å; F667-I747 HydrophobicContact CE2-CD1 4.45Å; F667-I747 HydrophobicContact CE2-CG1 4.45Å; F667-I747 HydrophobicContact CE2-CG2 3.78Å; L732-I747 HydrophobicContact CD2-CD1 4.37Å; P744-I747 HydrophobicContact CG-CG1 4.41Å; I747-I770 HydrophobicContact CG2-CG2 4.4Å; I747-C774 VanDerWaalsContact CD1-SG 3.55Å; I747-P783 HydrophobicContact CD1-CB 4.31Å; I747-P783 HydrophobicContact CD1-CG 3.64Å; I747-P783 HydrophobicContact CG1-CB 4.16Å; I747-P783 HydrophobicContact CG1-CG 4.02Å; I747-A784 PolarHBondContact N-O 3.2Å; I747-I785 HydrophobicContact CB-CG1 4.35Å; I747-I785 CarbonylContact O-C 3.58Å; I747-I785 WeakPolarHBondContact O-CA 3.24Å; I747-T786 PolarHBondContact O-N 3.11Å
748	I	98.4	Very high	94	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	119.9	174.9	-55.3	168.6	0	0	0	108.1	I664 M665 V666 F667 Y750 T786 I788 F852 F860	I664-I748 HydrophobicContact CG2-CD1 4.03Å; I664-I748 HydrophobicContact CG2-CG1 4.45Å; M665-I748 PolarHBondContact O-N 2.91Å; V666-I748 CarbonylContact C-O 3.46Å; V666-I748 WeakPolarHBondContact CA-O 3.48Å; V666-I748 HydrophobicContact CG2-CB 4.46Å; F667-I748 PolarHBondContact N-O 3.13Å; I748-Y750 HydrophobicContact CG2-CD2 4.07Å; I748-Y750 HydrophobicContact CG2-CE2 3.5Å; I748-Y750 VanDerWaalsContact CG2-CE2 3.5Å; I748-T786 CarbonylContact C-O 3.53Å; I748-T786 WeakPolarHBondContact CA-O 3.28Å; I748-I788 HydrophobicContact CG2-CD1 4Å; I748-F852 HydrophobicContact CD1-CE2 4.01Å; I748-F852 HydrophobicContact CD1-CZ 3.75Å; I748-F852 HydrophobicContact CG1-CE2 4.29Å; I748-F852 HydrophobicContact CG1-CZ 4.48Å; I748-F860 HydrophobicContact CD1-CD1 3.87Å; I748-F860 HydrophobicContact CD1-CE1 3.28Å; I748-F860 HydrophobicContact CD1-CZ 3.7Å
749	F	98.7	Very high	94	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	115.2	-174	-162.9	-79.9	0	0	0	110.5	F667 A669 V689 L724 R751 I770 T786 F787 I788	F667-F749 HydrophobicContact CB-CB 4.46Å; F667-F749 HydrophobicContact CB-CD2 3.37Å; F667-F749 HydrophobicContact CB-CE2 3.76Å; F667-F749 HydrophobicContact CB-CG 4.03Å; F667-F749 HydrophobicContact CD1-CD2 4.41Å; F667-F749 HydrophobicContact CD1-CE2 4.32Å; F667-F749 HydrophobicContact CD2-CD2 4.33Å; F667-F749 AromaticContact CG-CD2 3.83Å; F667-F749 HydrophobicContact CG-CD2 3.83Å; F667-F749 HydrophobicContact CG-CE2 4.16Å; A669-F749 HydrophobicContact CB-CE1 3.69Å; A669-F749 HydrophobicContact CB-CZ 3.54Å; V689-F749 HydrophobicContact CG1-CE2 4.36Å; L724-F749 HydrophobicContact CD1-CE2 4.37Å; L724-F749 HydrophobicContact CD1-CZ 4.19Å; L724-F749 HydrophobicContact CD2-CZ 4.36Å; F749-R751 HydrophobicContact CD1-CB 4.31Å; F749-R751 HydrophobicContact CE1-CB 4.14Å; F749-I770 HydrophobicContact CB-CD1 4.24Å; F749-I770 HydrophobicContact CD1-CD1 4.5Å; F749-I770 HydrophobicContact CD2-CD1 3.58Å; F749-I770 HydrophobicContact CD2-CG1 4.29Å; F749-I770 HydrophobicContact CE2-CD1 4Å; F749-I770 HydrophobicContact CE2-CG1 4.41Å; F749-I770 HydrophobicContact CG-CD1 3.87Å; F749-T786 PolarHBondContact N-O 3.46Å; F749-F787 HydrophobicContact CB-CD2 4.04Å; F749-F787 HydrophobicContact CB-CE2 4.46Å; F749-F787 AromaticContact CD1-CD2 3.91Å; F749-F787 HydrophobicContact CD1-CD2 3.91Å; F749-F787 AromaticContact CD1-CE2 3.48Å; F749-F787 HydrophobicContact CD1-CE2 3.48Å; F749-F787 VanDerWaalsContact CD1-CE2 3.48Å; F749-F787 HydrophobicContact CD1-CZ 4.01Å; F749-F787 AromaticContact CE1-CE2 3.9Å; F749-F787 HydrophobicContact CE1-CE2 3.9Å; F749-F787 HydrophobicContact CE1-CZ 4.24Å; F749-F787 HydrophobicContact CG-CD2 4.17Å; F749-F787 HydrophobicContact CG-CE2 4.1Å; F749-I788 PolarHBondContact O-N 2.83Å
750	Y	98.8	Very high	93.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	116.3	174.9	-67.8	-90.5	0	0	0	111.1	V666 F667 G668 A669 I748 I788 V790 Y843 T861 L864 P878 V881	V666-Y750 HydrophobicContact CG1-CD2 3.88Å; V666-Y750 HydrophobicContact CG1-CE2 3.89Å; F667-Y750 PolarHBondContact O-N 2.9Å; G668-Y750 CarbonylContact C-O 3.55Å; G668-Y750 VanDerWaalsContact CA-O 3.31Å; G668-Y750 WeakPolarHBondContact CA-O 3.33Å; A669-Y750 PolarHBondContact N-O 2.74Å; I748-Y750 HydrophobicContact CG2-CD2 4.07Å; I748-Y750 HydrophobicContact CG2-CE2 3.5Å; I748-Y750 VanDerWaalsContact CG2-CE2 3.5Å; Y750-I788 CarbonylContact C-O 3.6Å; Y750-I788 VanDerWaalsContact CA-O 3.31Å; Y750-I788 WeakPolarHBondContact CA-O 3.42Å; Y750-I788 HydrophobicContact CD1-CB 3.9Å; Y750-I788 HydrophobicContact CD1-CD1 4.16Å; Y750-I788 HydrophobicContact CD1-CG2 3.93Å; Y750-I788 HydrophobicContact CE1-CB 4.14Å; Y750-I788 HydrophobicContact CE1-CD1 3.57Å; Y750-I788 HydrophobicContact CE1-CG1 4.44Å; Y750-I788 HydrophobicContact CE1-CG2 4.03Å; Y750-V790 HydrophobicContact CD1-CG2 3.72Å; Y750-V790 HydrophobicContact CG-CG2 4.41Å; Y750-Y843 HydrophobicContact CE1-CD1 4.36Å; Y750-Y843 HydrophobicContact CE1-CE1 4.48Å; Y750-T861 HydrophobicContact CE1-CG2 3.97Å; Y750-T861 PolarHBondContact OH-OG1 3.02Å; Y750-L864 HydrophobicContact CE2-CD1 3.56Å; Y750-P878 HydrophobicContact CD1-CG 4.02Å; Y750-P878 HydrophobicContact CE1-CG 3.82Å; Y750-P878 HydrophobicContact CE2-CG 4.48Å; Y750-P878 HydrophobicContact CG-CG 4.44Å; Y750-V881 HydrophobicContact CG-CG2 4.14Å
751	R	98	Very high	93.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	124.5	-178.3	-174.6	71.6	-176.7	81.9	16.1	111.3	A669 E719 F749 V754 V762 E766 F787 I788 V789 V790	A669-R751 PolarHBondContact O-NH1 2.84Å; E719-R751 PolarHBondContact O-NH2 2.75Å; E719-R751 IonicContact OE2-NH2 2.75Å; F749-R751 HydrophobicContact CD1-CB 4.31Å; F749-R751 HydrophobicContact CE1-CB 4.14Å; R751-V754 HydrophobicContact CG-CG2 3.66Å; R751-V762 HydrophobicContact CG-CG1 4.43Å; R751-E766 VanDerWaalsContact CD-OE2 3.3Å; R751-E766 WeakPolarHBondContact CD-OE2 3.39Å; R751-E766 IonicContact NE-OE1 2.79Å; R751-E766 PolarHBondContact NE-OE1 3.42Å; R751-E766 IonicContact NE-OE2 2.77Å; R751-E766 PolarHBondContact NE-OE2 3.48Å; R751-F787 HydrophobicContact CB-CE1 4.06Å; R751-F787 HydrophobicContact CB-CZ 3.96Å; R751-F787 HydrophobicContact CG-CZ 4.28Å; R751-I788 PolarHBondContact N-O 2.81Å; R751-V789 HydrophobicContact CB-CG2 4.38Å; R751-V789 CarbonylContact O-C 3.53Å; R751-V789 WeakPolarHBondContact O-CA 3.22Å; R751-V790 PolarHBondContact O-N 3.08Å
752	D	96.1	Very high	93.5	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	152.7	178.9	-173.9	11.6	0	0	0	112.7	A669 D670 V754 K792 V881	A669-D752 PolarHBondContact O-N 3.34Å; D670-D752 HydrophobicContact CB-CB 4.49Å; D752-V754 PolarHBondContact O-N 2.83Å; D752-K792 WeakPolarHBondContact OD1-CE 3.19Å; D752-K792 IonicContact OD1-NZ 2.98Å; D752-K792 VanDerWaalsContact OD2-CE 3.25Å; D752-K792 WeakPolarHBondContact OD2-CE 3.26Å; D752-K792 IonicContact OD2-NZ 3.3Å; D752-K792 PolarHBondContact OD2-NZ 3.33Å; D752-V881 HydrophobicContact CB-CG1 3.61Å
753	G	86	Confident	93.4	Very high	22 Å²	22	30 Å²	30	23%	0.227	17%	0.173	C	C	.	.	S	Bend	trans	87.1	0	168.2	0	0	0	0	0	116.3
754	V	91.9	Very high	93.3	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.012	18%	0.181	C	C	.	.			trans	-87.3	130.7	-176.6	-174.7	0	0	0	0	111.5	R751 D752 Q758 F759 V762 V789 Q791	R751-V754 HydrophobicContact CG-CG2 3.66Å; D752-V754 PolarHBondContact O-N 2.83Å; V754-Q758 HydrophobicContact CG1-CB 3.86Å; V754-F759 HydrophobicContact CG1-CD1 3.89Å; V754-F759 HydrophobicContact CG1-CE1 4.25Å; V754-V762 HydrophobicContact CG1-CB 4.27Å; V754-V762 HydrophobicContact CG1-CG2 3.81Å; V754-V762 HydrophobicContact CG2-CG1 4.26Å; V754-V762 HydrophobicContact CG2-CG2 4.26Å; V754-V789 HydrophobicContact CB-CG1 4.06Å; V754-V789 HydrophobicContact CB-CG2 4.43Å; V754-Q791 PolarHBondContact O-NE2 2.83Å
755	S	88.3	Confident	93.2	Very high	57 Å²	57	35.9 Å²	35.9	40%	0.399	20%	0.202	S	C	.	.			trans	-81.5	153.9	173.9	70	0	0	0	0	112	G757 Q758 F759	S755-G757 VanDerWaalsContact C-N 3.25Å; S755-G757 PolarHBondContact O-N 3.23Å; S755-Q758 PolarHBondContact O-N 3.27Å; S755-Q758 PolarHBondContact OG-OE1 2.77Å; S755-F759 WeakPolarHBondContact O-CD1 3.31Å; S755-F759 WeakPolarHBondContact O-CE1 3.35Å
756	E	86.9	Confident	93.2	Very high	58 Å²	58	31.2 Å²	31.2	27%	0.271	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-53.9	-40.6	-178.1	-67.8	172.7	-176.2	0	0	112.7	Q758 F759	E756-Q758 PolarHBondContact O-N 3.41Å; E756-F759 HydrophobicContact CB-CE2 4.2Å; E756-F759 HydrophobicContact CB-CZ 4.26Å; E756-F759 HydrophobicContact CG-CE1 4.47Å; E756-F759 HydrophobicContact CG-CE2 3.87Å; E756-F759 HydrophobicContact CG-CZ 3.78Å; E756-F759 WeakPolarHBondContact O-CB 3.47Å; E756-F759 WeakPolarHBondContact O-CG 3.39Å; E756-F759 PolarHBondContact O-N 2.95Å; E756-F759 VanDerWaalsContact O-N 3.14Å
757	G	85.7	Confident	93.2	Very high	77 Å²	77	28.8 Å²	28.8	79%	0.794	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-67.1	-5.6	177.8	0	0	0	0	0	115.3	S755	S755-G757 VanDerWaalsContact C-N 3.25Å; S755-G757 PolarHBondContact O-N 3.23Å
758	Q	89.2	Confident	93.1	Very high	49 Å²	49	31.5 Å²	31.5	23%	0.229	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-111.6	-1.5	177.2	-67.8	168	-46.9	0	0	112.8	E719 V754 S755 E756 E760 N761 V762	E719-Q758 VanDerWaalsContact CG-NE2 3.27Å; V754-Q758 HydrophobicContact CG1-CB 3.86Å; S755-Q758 PolarHBondContact O-N 3.27Å; S755-Q758 PolarHBondContact OG-OE1 2.77Å; E756-Q758 PolarHBondContact O-N 3.41Å; Q758-E760 VanDerWaalsContact C-N 3.34Å; Q758-E760 PolarHBondContact O-N 3.1Å; Q758-N761 PolarHBondContact O-N 3.37Å; Q758-V762 HydrophobicContact CB-CG2 4.35Å; Q758-V762 WeakPolarHBondContact O-CB 3.49Å; Q758-V762 WeakPolarHBondContact O-CG2 3.36Å; Q758-V762 PolarHBondContact O-N 3.23Å
759	F	92	Very high	93.1	Very high	3 Å²	3	32.2 Å²	32.2	1%	0.013	20%	0.198	C	C	.	.	H	α-helix	trans	-55.7	-45.9	-175.8	-75.2	-0.9	0	0	0	112.7	V754 S755 E756 L763 V789 H844 L846	V754-F759 HydrophobicContact CG1-CD1 3.89Å; V754-F759 HydrophobicContact CG1-CE1 4.25Å; S755-F759 WeakPolarHBondContact O-CD1 3.31Å; S755-F759 WeakPolarHBondContact O-CE1 3.35Å; E756-F759 HydrophobicContact CB-CE2 4.2Å; E756-F759 HydrophobicContact CB-CZ 4.26Å; E756-F759 HydrophobicContact CG-CE1 4.47Å; E756-F759 HydrophobicContact CG-CE2 3.87Å; E756-F759 HydrophobicContact CG-CZ 3.78Å; E756-F759 WeakPolarHBondContact O-CB 3.47Å; E756-F759 WeakPolarHBondContact O-CG 3.39Å; E756-F759 PolarHBondContact O-N 2.95Å; E756-F759 VanDerWaalsContact O-N 3.14Å; F759-L763 WeakPolarHBondContact O-CB 3.28Å; F759-L763 PolarHBondContact O-N 2.69Å; F759-V789 HydrophobicContact CD1-CG2 4.4Å; F759-V789 HydrophobicContact CE1-CB 4.19Å; F759-V789 HydrophobicContact CE1-CG1 3.78Å; F759-V789 HydrophobicContact CE1-CG2 4.29Å; F759-V789 HydrophobicContact CZ-CB 4.5Å; F759-V789 HydrophobicContact CZ-CG1 4.24Å; F759-H844 HydrophobicContact CE2-CB 4.12Å; F759-H844 AromaticContact CE2-CG 3.82Å; F759-H844 AromaticContact CE2-ND1 3.79Å; F759-H844 HydrophobicContact CZ-CB 4.3Å; F759-H844 AromaticContact CZ-CD2 3.83Å; F759-H844 AromaticContact CZ-CG 3.9Å; F759-L846 HydrophobicContact CB-CD1 3.89Å; F759-L846 HydrophobicContact CB-CD2 4.21Å; F759-L846 HydrophobicContact CD1-CD1 4.24Å; F759-L846 HydrophobicContact CD2-CD1 4.47Å; F759-L846 HydrophobicContact CD2-CD2 3.63Å; F759-L846 HydrophobicContact CE2-CD2 4.11Å; F759-L846 HydrophobicContact CG-CD1 3.97Å; F759-L846 HydrophobicContact CG-CD2 3.97Å
760	E	90.8	Very high	93	Very high	95 Å²	95	32.2 Å²	32.2	44%	0.444	20%	0.198	S	C	.	.	H	α-helix	trans	-62.5	-54	-179	-175.4	172.8	-163.8	0	0	111.8	L250 Q758 V762 L763 V764	L250-E760 HydrophobicContact CD2-CB 3.94Å; Q758-E760 VanDerWaalsContact C-N 3.34Å; Q758-E760 PolarHBondContact O-N 3.1Å; E760-V762 PolarHBondContact O-N 3.27Å; E760-L763 PolarHBondContact O-N 3.19Å; E760-V764 HydrophobicContact CG-CG2 4.42Å; E760-V764 VanDerWaalsContact O-CG2 3.26Å; E760-V764 WeakPolarHBondContact O-CG2 3.38Å; E760-V764 PolarHBondContact O-N 2.97Å
761	N	90.4	Very high	93	Very high	95 Å²	95	35.9 Å²	35.9	51%	0.508	22%	0.215	S	C	.	.	H	α-helix	trans	-62.1	-43.9	-177.3	-65.1	-17.6	0	0	0	112	I720 Q758 E765	I720-N761 HydrophobicContact CD1-CB 4.24Å; Q758-N761 PolarHBondContact O-N 3.37Å; N761-E765 PolarHBondContact O-N 3.26Å; N761-E765 VanDerWaalsContact O-N 3.14Å
762	V	92.3	Very high	92.9	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-62.8	-46.3	177.1	169.3	0	0	0	0	110.3	I720 R751 V754 Q758 E760 E766 F787	I720-V762 HydrophobicContact CG1-CG2 4.21Å; R751-V762 HydrophobicContact CG-CG1 4.43Å; V754-V762 HydrophobicContact CG1-CB 4.27Å; V754-V762 HydrophobicContact CG1-CG2 3.81Å; V754-V762 HydrophobicContact CG2-CG1 4.26Å; V754-V762 HydrophobicContact CG2-CG2 4.26Å; Q758-V762 HydrophobicContact CB-CG2 4.35Å; Q758-V762 WeakPolarHBondContact O-CB 3.49Å; Q758-V762 WeakPolarHBondContact O-CG2 3.36Å; Q758-V762 PolarHBondContact O-N 3.23Å; E760-V762 PolarHBondContact O-N 3.27Å; V762-E766 HydrophobicContact CG1-CG 4.19Å; V762-E766 WeakPolarHBondContact O-CB 3.47Å; V762-E766 WeakPolarHBondContact O-CG 3.42Å; V762-E766 PolarHBondContact O-N 2.91Å; V762-F787 HydrophobicContact CG1-CE1 4.38Å; V762-F787 HydrophobicContact CG1-CZ 4.13Å
763	L	93.9	Very high	93	Very high	7 Å²	7	40.5 Å²	40.5	4%	0.037	24%	0.236	C	C	.	.	H	α-helix	trans	-60.6	-50.8	179.6	177.3	66.3	0	0	0	111.4	F109 F759 E760 E765 L767 F787 L846	F109-L763 HydrophobicContact CB-CD2 4.47Å; F109-L763 HydrophobicContact CD1-CD2 4.18Å; F759-L763 WeakPolarHBondContact O-CB 3.28Å; F759-L763 PolarHBondContact O-N 2.69Å; E760-L763 PolarHBondContact O-N 3.19Å; L763-E765 PolarHBondContact O-N 3.49Å; L763-L767 HydrophobicContact CD1-CB 4.17Å; L763-L767 HydrophobicContact CD1-CD2 4.2Å; L763-L767 WeakPolarHBondContact O-CB 3.4Å; L763-L767 PolarHBondContact O-N 2.73Å; L763-F787 HydrophobicContact CD1-CB 4.17Å; L763-F787 HydrophobicContact CD1-CD1 4.14Å; L763-F787 HydrophobicContact CD1-CG 4.09Å; L763-L846 HydrophobicContact CB-CD1 4.44Å; L763-L846 HydrophobicContact CD1-CB 4.05Å; L763-L846 HydrophobicContact CD2-CB 4.17Å; L763-L846 WeakPolarHBondContact CD2-O 3.3Å
764	V	93.2	Very high	93.6	Very high	36 Å²	36	39.6 Å²	39.6	22%	0.218	23%	0.226	C	C	.	.	H	α-helix	trans	-58.7	-50.3	-176.3	171.6	0	0	0	0	111.1	F109 E760 S768	F109-V764 HydrophobicContact CD2-CG2 3.59Å; F109-V764 HydrophobicContact CE2-CB 4.5Å; F109-V764 HydrophobicContact CE2-CG1 4.49Å; F109-V764 HydrophobicContact CE2-CG2 3.77Å; F109-V764 HydrophobicContact CG-CG2 4.4Å; E760-V764 HydrophobicContact CG-CG2 4.42Å; E760-V764 VanDerWaalsContact O-CG2 3.26Å; E760-V764 WeakPolarHBondContact O-CG2 3.38Å; E760-V764 PolarHBondContact O-N 2.97Å; V764-S768 VanDerWaalsContact O-CB 3.32Å; V764-S768 WeakPolarHBondContact O-CB 3.45Å; V764-S768 PolarHBondContact O-N 3.08Å; V764-S768 PolarHBondContact O-OG 3.17Å
765	E	94.3	Very high	93.8	Very high	96 Å²	96	42.1 Å²	42.1	45%	0.449	24%	0.243	S	C	.	.	H	α-helix	trans	-73.5	-45.9	-176.4	-68.2	-166.6	-149.1	0	0	112	I720 N761 L763 A769	I720-E765 HydrophobicContact CD1-CB 4.47Å; I720-E765 HydrophobicContact CD1-CG 4.18Å; I720-E765 VanDerWaalsContact CD1-OE1 3.25Å; I720-E765 WeakPolarHBondContact CD1-OE1 3.48Å; I720-E765 HydrophobicContact CG2-CB 3.9Å; I720-E765 WeakPolarHBondContact CG2-OE2 3.45Å; N761-E765 PolarHBondContact O-N 3.26Å; N761-E765 VanDerWaalsContact O-N 3.14Å; L763-E765 PolarHBondContact O-N 3.49Å; E765-A769 WeakPolarHBondContact O-CB 3.47Å; E765-A769 PolarHBondContact O-N 2.86Å; E765-A769 VanDerWaalsContact O-N 3.08Å
766	E	97.6	Very high	94.3	Very high	1 Å²	1	44 Å²	44	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-76.2	-37.9	-173.9	-64.3	-170.3	-179.4	0	0	112.6	I720 I721 L724 R751 V762 A769 I770 F787	I720-E766 HydrophobicContact CG2-CG 4.38Å; I721-E766 WeakPolarHBondContact CG1-OE1 3.42Å; I721-E766 PolarHBondContact N-OE1 2.65Å; L724-E766 HydrophobicContact CD2-CB 3.47Å; L724-E766 VanDerWaalsContact CD2-CB 3.47Å; L724-E766 HydrophobicContact CD2-CG 3.69Å; R751-E766 VanDerWaalsContact CD-OE2 3.3Å; R751-E766 WeakPolarHBondContact CD-OE2 3.39Å; R751-E766 IonicContact NE-OE1 2.79Å; R751-E766 PolarHBondContact NE-OE1 3.42Å; R751-E766 IonicContact NE-OE2 2.77Å; R751-E766 PolarHBondContact NE-OE2 3.48Å; V762-E766 HydrophobicContact CG1-CG 4.19Å; V762-E766 WeakPolarHBondContact O-CB 3.47Å; V762-E766 WeakPolarHBondContact O-CG 3.42Å; V762-E766 PolarHBondContact O-N 2.91Å; E766-A769 PolarHBondContact O-N 3.03Å; E766-I770 VanDerWaalsContact O-CG1 3.28Å; E766-I770 WeakPolarHBondContact O-CG1 3.28Å; E766-I770 PolarHBondContact O-N 3.26Å; E766-F787 HydrophobicContact CB-CE2 4.02Å; E766-F787 HydrophobicContact CB-CZ 4.22Å; E766-F787 WeakPolarHBondContact OE2-CZ 3.11Å
767	L	96.5	Very high	94.7	Very high	2 Å²	2	44 Å²	44	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-62.5	-46.3	175.1	-179.3	63.1	0	0	0	111	F109 L763 A769 I770 Q771 I785 Y847	F109-L767 HydrophobicContact CE1-CD2 3.97Å; L763-L767 HydrophobicContact CD1-CB 4.17Å; L763-L767 HydrophobicContact CD1-CD2 4.2Å; L763-L767 WeakPolarHBondContact O-CB 3.4Å; L763-L767 PolarHBondContact O-N 2.73Å; L767-A769 VanDerWaalsContact C-N 3.26Å; L767-A769 PolarHBondContact O-N 3.46Å; L767-I770 PolarHBondContact O-N 2.68Å; L767-I770 VanDerWaalsContact O-N 3.14Å; L767-Q771 WeakPolarHBondContact O-CG 3.35Å; L767-Q771 PolarHBondContact O-N 3.11Å; L767-I785 HydrophobicContact CD1-CB 4.26Å; L767-I785 HydrophobicContact CD1-CD1 3.98Å; L767-I785 HydrophobicContact CD1-CG2 3.69Å; L767-Y847 HydrophobicContact CD1-CD1 3.95Å; L767-Y847 HydrophobicContact CD1-CE1 4.07Å; L767-Y847 HydrophobicContact CD1-CG 4.41Å; L767-Y847 HydrophobicContact CD2-CD1 4.05Å; L767-Y847 HydrophobicContact CD2-CD2 3.63Å; L767-Y847 HydrophobicContact CD2-CE1 4.12Å; L767-Y847 HydrophobicContact CD2-CE2 3.7Å; L767-Y847 HydrophobicContact CD2-CG 3.79Å
768	S	96.3	Very high	95.1	Very high	57 Å²	57	45 Å²	45	40%	0.399	23%	0.23	S	C	.	.	H	α-helix	trans	-60.2	-38.9	176.9	-58.3	0	0	0	0	111.2	V764 Q771 K772	V764-S768 VanDerWaalsContact O-CB 3.32Å; V764-S768 WeakPolarHBondContact O-CB 3.45Å; V764-S768 PolarHBondContact O-N 3.08Å; V764-S768 PolarHBondContact O-OG 3.17Å; S768-Q771 PolarHBondContact O-N 3.46Å; S768-K772 VanDerWaalsContact O-CB 3.25Å; S768-K772 WeakPolarHBondContact O-CB 3.48Å; S768-K772 PolarHBondContact O-N 2.97Å
769	A	97.9	Very high	95.3	Very high	15 Å²	15	47.9 Å²	47.9	12%	0.124	25%	0.253	C	S	.	.	H	α-helix	trans	-66.7	-38	176	0	0	0	0	0	112.9	L724 H725 E765 E766 L767 A773	L724-A769 HydrophobicContact CB-CB 3.9Å; L724-A769 HydrophobicContact CD2-CB 4.23Å; L724-A769 HydrophobicContact CG-CB 4.24Å; H725-A769 WeakPolarHBondContact CA-O 3.23Å; H725-A769 HydrophobicContact CB-CB 4.12Å; H725-A769 VanDerWaalsContact CB-O 3.22Å; H725-A769 WeakPolarHBondContact CB-O 3.49Å; E765-A769 WeakPolarHBondContact O-CB 3.47Å; E765-A769 PolarHBondContact O-N 2.86Å; E765-A769 VanDerWaalsContact O-N 3.08Å; E766-A769 PolarHBondContact O-N 3.03Å; L767-A769 VanDerWaalsContact C-N 3.26Å; L767-A769 PolarHBondContact O-N 3.46Å; A769-A773 WeakPolarHBondContact O-CB 3.34Å; A769-A773 PolarHBondContact O-N 2.88Å
770	I	98.1	Very high	95.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.1	-48.9	174.7	-66.5	160.6	0	0	0	110.3	L724 V728 I747 F749 E766 L767 K772 A773 C774 I785 F787	L724-I770 HydrophobicContact CD2-CG1 4.23Å; V728-I770 HydrophobicContact CG2-CG1 4.13Å; I747-I770 HydrophobicContact CG2-CG2 4.4Å; F749-I770 HydrophobicContact CB-CD1 4.24Å; F749-I770 HydrophobicContact CD1-CD1 4.5Å; F749-I770 HydrophobicContact CD2-CD1 3.58Å; F749-I770 HydrophobicContact CD2-CG1 4.29Å; F749-I770 HydrophobicContact CE2-CD1 4Å; F749-I770 HydrophobicContact CE2-CG1 4.41Å; F749-I770 HydrophobicContact CG-CD1 3.87Å; E766-I770 VanDerWaalsContact O-CG1 3.28Å; E766-I770 WeakPolarHBondContact O-CG1 3.28Å; E766-I770 PolarHBondContact O-N 3.26Å; L767-I770 PolarHBondContact O-N 2.68Å; L767-I770 VanDerWaalsContact O-N 3.14Å; I770-K772 VanDerWaalsContact C-N 3.34Å; I770-K772 PolarHBondContact O-N 2.86Å; I770-A773 WeakPolarHBondContact O-CB 3.16Å; I770-A773 PolarHBondContact O-N 2.61Å; I770-C774 PolarHBondContact O-N 2.81Å; I770-C774 PolarHBondContact O-SG 2.8Å; I770-C774 VanDerWaalsContact O-SG 3.4Å; I770-I785 HydrophobicContact CG2-CD1 3.81Å; I770-I785 HydrophobicContact CG2-CG1 4.46Å; I770-F787 HydrophobicContact CD1-CD2 4.07Å; I770-F787 HydrophobicContact CD1-CE2 4.12Å
771	Q	97.3	Very high	95.4	Very high	77 Å²	77	49.9 Å²	49.9	36%	0.36	28%	0.283	S	S	.	.	H	α-helix	trans	-58.5	-47.1	178	-72	172.7	-26.1	0	0	111.1	L767 S768 A773 C774 S775 I785	L767-Q771 WeakPolarHBondContact O-CG 3.35Å; L767-Q771 PolarHBondContact O-N 3.11Å; S768-Q771 PolarHBondContact O-N 3.46Å; Q771-A773 VanDerWaalsContact C-N 3.33Å; Q771-A773 PolarHBondContact O-N 2.95Å; Q771-C774 WeakPolarHBondContact O-CB 3.34Å; Q771-C774 PolarHBondContact O-N 3.35Å; Q771-C774 VanDerWaalsContact O-N 3.15Å; Q771-S775 PolarHBondContact O-N 2.99Å; Q771-S775 PolarHBondContact O-OG 3.34Å; Q771-I785 HydrophobicContact CG-CD1 3.69Å
772	K	97.3	Very high	95.5	Very high	99 Å²	99	53.3 Å²	53.3	43%	0.43	30%	0.296	S	S	.	.	H	α-helix	trans	-55.4	-46.2	174.9	175.7	167.3	175.3	45.6	0	112.1	H725 S768 I770 C774 S775 D776	H725-K772 HydrophobicContact CB-CB 4.5Å; H725-K772 HydrophobicContact CB-CG 4.39Å; S768-K772 VanDerWaalsContact O-CB 3.25Å; S768-K772 WeakPolarHBondContact O-CB 3.48Å; S768-K772 PolarHBondContact O-N 2.97Å; I770-K772 VanDerWaalsContact C-N 3.34Å; I770-K772 PolarHBondContact O-N 2.86Å; K772-C774 VanDerWaalsContact C-N 3.33Å; K772-C774 PolarHBondContact O-N 3.12Å; K772-S775 PolarHBondContact O-N 3.11Å; K772-D776 WeakPolarHBondContact CE-OD2 3.46Å; K772-D776 WeakPolarHBondContact CG-OD2 3.35Å; K772-D776 IonicContact NZ-OD1 2.81Å; K772-D776 PolarHBondContact NZ-OD1 3.26Å; K772-D776 IonicContact NZ-OD2 3.31Å; K772-D776 PolarHBondContact NZ-OD2 3.37Å; K772-D776 WeakPolarHBondContact O-CB 3.37Å; K772-D776 PolarHBondContact O-N 3.41Å
773	A	98	Very high	95.7	Very high	2 Å²	2	53.8 Å²	53.8	2%	0.017	30%	0.3	C	S	.	.	H	α-helix	trans	-61.6	-41	178.2	0	0	0	0	0	112.5	H725 V728 A769 I770 Q771 D776 I777	H725-A773 HydrophobicContact CB-CB 4.32Å; H725-A773 VanDerWaalsContact O-CB 3.25Å; H725-A773 WeakPolarHBondContact O-CB 3.35Å; V728-A773 HydrophobicContact CB-CB 3.74Å; V728-A773 HydrophobicContact CG1-CB 3.59Å; A769-A773 WeakPolarHBondContact O-CB 3.34Å; A769-A773 PolarHBondContact O-N 2.88Å; I770-A773 WeakPolarHBondContact O-CB 3.16Å; I770-A773 PolarHBondContact O-N 2.61Å; Q771-A773 VanDerWaalsContact C-N 3.33Å; Q771-A773 PolarHBondContact O-N 2.95Å; A773-D776 PolarHBondContact O-N 3.1Å; A773-I777 WeakPolarHBondContact O-CB 3.3Å; A773-I777 VanDerWaalsContact O-CG1 3.25Å; A773-I777 WeakPolarHBondContact O-CG1 3.19Å; A773-I777 PolarHBondContact O-N 3.28Å
774	C	97.9	Very high	95.9	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.02	31%	0.307	C	S	.	.	H	α-helix	trans	-60.9	-49.7	175	-66.6	0	0	0	0	111.3	F743 I747 I770 Q771 K772 D776 I777 R778 P783	F743-C774 HydrophobicContact CZ-CB 4.1Å; I747-C774 VanDerWaalsContact CD1-SG 3.55Å; I770-C774 PolarHBondContact O-N 2.81Å; I770-C774 PolarHBondContact O-SG 2.8Å; I770-C774 VanDerWaalsContact O-SG 3.4Å; Q771-C774 WeakPolarHBondContact O-CB 3.34Å; Q771-C774 PolarHBondContact O-N 3.35Å; Q771-C774 VanDerWaalsContact O-N 3.15Å; K772-C774 VanDerWaalsContact C-N 3.33Å; K772-C774 PolarHBondContact O-N 3.12Å; C774-D776 PolarHBondContact O-N 3.06Å; C774-I777 PolarHBondContact O-N 3.1Å; C774-R778 PolarHBondContact O-N 3.04Å; C774-P783 HydrophobicContact CB-CG 4.4Å
775	S	97	Very high	96.1	Very high	54 Å²	54	53.1 Å²	53.1	38%	0.378	30%	0.298	S	S	.	.	H	α-helix	trans	-62.7	-40.1	178.7	-55.1	0	0	0	0	112.8	Q771 K772 R778 P779	Q771-S775 PolarHBondContact O-N 2.99Å; Q771-S775 PolarHBondContact O-OG 3.34Å; K772-S775 PolarHBondContact O-N 3.11Å; S775-R778 CarbonylContact O-C 3.56Å; S775-P779 WeakPolarHBondContact O-CA 3.41Å; S775-P779 VanDerWaalsContact O-CD 3.31Å; S775-P779 WeakPolarHBondContact O-CD 3.14Å; S775-P779 WeakPolarHBondContact O-CG 3.31Å
776	D	97.1	Very high	96.3	Very high	98 Å²	98	48.5 Å²	48.5	52%	0.524	28%	0.277	S	S	.	.	H	α-helix	trans	-68.2	-37.7	179.7	-71.1	-15.5	0	0	0	111.5	K772 A773 C774	K772-D776 WeakPolarHBondContact CE-OD2 3.46Å; K772-D776 WeakPolarHBondContact CG-OD2 3.35Å; K772-D776 IonicContact NZ-OD1 2.81Å; K772-D776 PolarHBondContact NZ-OD1 3.26Å; K772-D776 IonicContact NZ-OD2 3.31Å; K772-D776 PolarHBondContact NZ-OD2 3.37Å; K772-D776 WeakPolarHBondContact O-CB 3.37Å; K772-D776 PolarHBondContact O-N 3.41Å; A773-D776 PolarHBondContact O-N 3.1Å; C774-D776 PolarHBondContact O-N 3.06Å
777	I	96.3	Very high	96.3	Very high	58 Å²	58	48.5 Å²	48.5	30%	0.297	28%	0.276	S	S	.	.	H	α-helix	trans	-78.3	-41.9	179.2	-66.7	-64.2	0	0	0	112.1	L732 L736 F743 A773 C774	L732-I777 HydrophobicContact CB-CG1 4.41Å; L732-I777 HydrophobicContact CD1-CG1 4.46Å; L736-I777 HydrophobicContact CD1-CG2 3.63Å; F743-I777 HydrophobicContact CE2-CG2 4.23Å; A773-I777 WeakPolarHBondContact O-CB 3.3Å; A773-I777 VanDerWaalsContact O-CG1 3.25Å; A773-I777 WeakPolarHBondContact O-CG1 3.19Å; A773-I777 PolarHBondContact O-N 3.28Å; C774-I777 PolarHBondContact O-N 3.1Å
778	R	94.5	Very high	96.4	Very high	98 Å²	98	48.4 Å²	48.4	37%	0.37	28%	0.276	S	S	.	.	S	Bend	trans	-145.1	88.4	-179.6	-161.1	162.5	-148.7	161.6	11.4	111.4	G741 F743 C774 S775 G780 E781	G741-R778 PolarHBondContact O-NH1 2.87Å; F743-R778 HydrophobicContact CD2-CB 3.79Å; F743-R778 HydrophobicContact CD2-CG 4.4Å; F743-R778 HydrophobicContact CE2-CB 3.78Å; C774-R778 PolarHBondContact O-N 3.04Å; S775-R778 CarbonylContact O-C 3.56Å; R778-G780 PolarHBondContact O-N 3.42Å; R778-E781 HydrophobicContact CB-CB 4.28Å; R778-E781 HydrophobicContact CG-CB 4.08Å; R778-E781 HydrophobicContact CG-CG 3.9Å; R778-E781 PolarHBondContact O-N 3.48Å
779	P	93.6	Very high	96.5	Very high	109 Å²	109	45.7 Å²	45.7	71%	0.708	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	133.2	178.6	-26.2	33.1	0	0	0	112.3	S775 E781	S775-P779 WeakPolarHBondContact O-CA 3.41Å; S775-P779 VanDerWaalsContact O-CD 3.31Å; S775-P779 WeakPolarHBondContact O-CD 3.14Å; S775-P779 WeakPolarHBondContact O-CG 3.31Å; P779-E781 VanDerWaalsContact C-N 3.33Å; P779-E781 PolarHBondContact O-N 2.83Å
780	G	92	Very high	96.5	Very high	78 Å²	78	45 Å²	45	80%	0.804	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	-8.1	179.2	0	0	0	0	0	115.8	R778	R778-G780 PolarHBondContact O-N 3.42Å
781	E	92	Very high	96.4	Very high	62 Å²	62	46.5 Å²	46.5	29%	0.29	26%	0.258	S	S	.	.			trans	-98	106.7	172.1	-73.5	-89.9	-168.1	0	0	109.9	F743 K745 R778 P779 P783	F743-E781 HydrophobicContact CD1-CB 3.97Å; F743-E781 HydrophobicContact CE1-CB 4.26Å; F743-E781 HydrophobicContact CG-CB 4.32Å; K745-E781 IonicContact NZ-OE1 2.86Å; K745-E781 IonicContact NZ-OE2 3.95Å; K745-E781 PolarHBondContact NZ-OE2 2.82Å; R778-E781 HydrophobicContact CB-CB 4.28Å; R778-E781 HydrophobicContact CG-CB 4.08Å; R778-E781 HydrophobicContact CG-CG 3.9Å; R778-E781 PolarHBondContact O-N 3.48Å; P779-E781 VanDerWaalsContact C-N 3.33Å; P779-E781 PolarHBondContact O-N 2.83Å; E781-P783 WeakPolarHBondContact O-CD 3.47Å
782	E	93.2	Very high	96.2	Very high	166 Å²	166	43.8 Å²	43.8	78%	0.776	25%	0.245	S	C	*	.			trans	-108.6	101.3	-179.9	-66.2	-178.1	168.9	0	0	109.5
783	P	96.6	Very high	95.6	Very high	12 Å²	12	48.5 Å²	48.5	8%	0.078	26%	0.26	C	S	.	.			trans	-72.9	148.4	176.4	31.1	-31.1	0	0	0	109.9	F743 P744 K745 I747 C774 E781 I785	F743-P783 HydrophobicContact CE1-CB 4.32Å; F743-P783 HydrophobicContact CE1-CG 3.92Å; P744-P783 WeakPolarHBondContact O-CB 3.48Å; K745-P783 WeakPolarHBondContact O-CA 3.38Å; I747-P783 HydrophobicContact CD1-CB 4.31Å; I747-P783 HydrophobicContact CD1-CG 3.64Å; I747-P783 HydrophobicContact CG1-CB 4.16Å; I747-P783 HydrophobicContact CG1-CG 4.02Å; C774-P783 HydrophobicContact CB-CG 4.4Å; E781-P783 WeakPolarHBondContact O-CD 3.47Å; P783-I785 PolarHBondContact O-N 3.37Å
784	A	96.9	Very high	95.4	Very high	24 Å²	24	49.6 Å²	49.6	20%	0.198	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	131.2	168.7	0	0	0	0	0	109.7	K745 R746 I747 D849	K745-A784 PolarHBondContact O-N 3.22Å; R746-A784 CarbonylContact C-O 3.57Å; R746-A784 VanDerWaalsContact CA-O 3.29Å; R746-A784 WeakPolarHBondContact CA-O 3.29Å; R746-A784 HydrophobicContact CG-CB 4.33Å; I747-A784 PolarHBondContact N-O 3.2Å; A784-D849 HydrophobicContact CB-CB 4.09Å
785	I	97.8	Very high	95.3	Very high	4 Å²	4	52 Å²	52	2%	0.021	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	135.2	-177.4	-61.4	168.5	0	0	0	110.2	I747 L767 I770 Q771 P783 Y847 D848 D849	I747-I785 HydrophobicContact CB-CG1 4.35Å; I747-I785 CarbonylContact O-C 3.58Å; I747-I785 WeakPolarHBondContact O-CA 3.24Å; L767-I785 HydrophobicContact CD1-CB 4.26Å; L767-I785 HydrophobicContact CD1-CD1 3.98Å; L767-I785 HydrophobicContact CD1-CG2 3.69Å; I770-I785 HydrophobicContact CG2-CD1 3.81Å; I770-I785 HydrophobicContact CG2-CG1 4.46Å; Q771-I785 HydrophobicContact CG-CD1 3.69Å; P783-I785 PolarHBondContact O-N 3.37Å; I785-Y847 HydrophobicContact CB-CD1 4.33Å; I785-Y847 HydrophobicContact CB-CE1 4.15Å; I785-Y847 HydrophobicContact CG2-CD1 4.31Å; I785-Y847 WeakPolarHBondContact O-CD1 3.42Å; I785-D848 WeakPolarHBondContact O-CA 3.43Å; I785-D849 PolarHBondContact O-N 3.08Å
786	T	98.1	Very high	95.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	120.2	167.4	-49.7	0	0	0	0	108.8	I747 I748 F749 I788 V845 Y847 D848 S850 F852	I747-T786 PolarHBondContact O-N 3.11Å; I748-T786 CarbonylContact C-O 3.53Å; I748-T786 WeakPolarHBondContact CA-O 3.28Å; F749-T786 PolarHBondContact N-O 3.46Å; T786-I788 HydrophobicContact CG2-CD1 4.02Å; T786-I788 HydrophobicContact CG2-CG1 3.99Å; T786-V845 HydrophobicContact CG2-CG1 4.23Å; T786-Y847 CarbonylContact C-O 3.53Å; T786-Y847 WeakPolarHBondContact CA-O 3.21Å; T786-D848 HydrophobicContact CG2-CB 4.17Å; T786-D848 WeakPolarHBondContact CG2-OD1 3.3Å; T786-D848 PolarHBondContact OG1-OD1 2.84Å; T786-S850 WeakPolarHBondContact OG1-CB 3.38Å; T786-S850 PolarHBondContact OG1-OG 3.25Å; T786-F852 HydrophobicContact CG2-CD2 4.11Å; T786-F852 HydrophobicContact CG2-CE2 4.32Å; T786-F852 WeakPolarHBondContact OG1-CE2 3.47Å
787	F	98.2	Very high	95.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121	-177.7	-164.4	-79.5	0	0	0	110.5	F749 R751 V762 L763 E766 I770 V789 L846 Y847	F749-F787 HydrophobicContact CB-CD2 4.04Å; F749-F787 HydrophobicContact CB-CE2 4.46Å; F749-F787 AromaticContact CD1-CD2 3.91Å; F749-F787 HydrophobicContact CD1-CD2 3.91Å; F749-F787 AromaticContact CD1-CE2 3.48Å; F749-F787 HydrophobicContact CD1-CE2 3.48Å; F749-F787 VanDerWaalsContact CD1-CE2 3.48Å; F749-F787 HydrophobicContact CD1-CZ 4.01Å; F749-F787 AromaticContact CE1-CE2 3.9Å; F749-F787 HydrophobicContact CE1-CE2 3.9Å; F749-F787 HydrophobicContact CE1-CZ 4.24Å; F749-F787 HydrophobicContact CG-CD2 4.17Å; F749-F787 HydrophobicContact CG-CE2 4.1Å; R751-F787 HydrophobicContact CB-CE1 4.06Å; R751-F787 HydrophobicContact CB-CZ 3.96Å; R751-F787 HydrophobicContact CG-CZ 4.28Å; V762-F787 HydrophobicContact CG1-CE1 4.38Å; V762-F787 HydrophobicContact CG1-CZ 4.13Å; L763-F787 HydrophobicContact CD1-CB 4.17Å; L763-F787 HydrophobicContact CD1-CD1 4.14Å; L763-F787 HydrophobicContact CD1-CG 4.09Å; E766-F787 HydrophobicContact CB-CE2 4.02Å; E766-F787 HydrophobicContact CB-CZ 4.22Å; E766-F787 WeakPolarHBondContact OE2-CZ 3.11Å; I770-F787 HydrophobicContact CD1-CD2 4.07Å; I770-F787 HydrophobicContact CD1-CE2 4.12Å; F787-V789 HydrophobicContact CE1-CG2 4.13Å; F787-L846 HydrophobicContact CD1-CB 4.2Å; F787-L846 HydrophobicContact CD1-CD1 4.28Å; F787-L846 HydrophobicContact CE1-CD1 4.32Å; F787-L846 PolarHBondContact O-N 2.54Å; F787-Y847 PolarHBondContact N-O 3.22Å; F787-Y847 PolarHBondContact O-N 2.65Å
788	I	98.5	Very high	95.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	123.7	-170.5	-53.1	171.7	0	0	0	109.4	I748 F749 Y750 R751 T786 Y843 H844 V845 L857	I748-I788 HydrophobicContact CG2-CD1 4Å; F749-I788 PolarHBondContact O-N 2.83Å; Y750-I788 CarbonylContact C-O 3.6Å; Y750-I788 VanDerWaalsContact CA-O 3.31Å; Y750-I788 WeakPolarHBondContact CA-O 3.42Å; Y750-I788 HydrophobicContact CD1-CB 3.9Å; Y750-I788 HydrophobicContact CD1-CD1 4.16Å; Y750-I788 HydrophobicContact CD1-CG2 3.93Å; Y750-I788 HydrophobicContact CE1-CB 4.14Å; Y750-I788 HydrophobicContact CE1-CD1 3.57Å; Y750-I788 HydrophobicContact CE1-CG1 4.44Å; Y750-I788 HydrophobicContact CE1-CG2 4.03Å; R751-I788 PolarHBondContact N-O 2.81Å; T786-I788 HydrophobicContact CG2-CD1 4.02Å; T786-I788 HydrophobicContact CG2-CG1 3.99Å; I788-Y843 HydrophobicContact CG2-CD1 4.19Å; I788-H844 CarbonylContact C-O 3.6Å; I788-H844 VanDerWaalsContact CA-O 3.31Å; I788-H844 WeakPolarHBondContact CA-O 3.45Å; I788-V845 HydrophobicContact CG1-CG2 4.38Å; I788-L857 HydrophobicContact CD1-CD1 3.8Å; I788-L857 HydrophobicContact CD1-CD2 4.11Å; I788-L857 HydrophobicContact CD1-CG 4.38Å
789	V	98.2	Very high	95.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	130.8	168.4	173.7	0	0	0	0	109.7	R751 V754 F759 F787 Q791 Y843 H844 L846	R751-V789 HydrophobicContact CB-CG2 4.38Å; R751-V789 CarbonylContact O-C 3.53Å; R751-V789 WeakPolarHBondContact O-CA 3.22Å; V754-V789 HydrophobicContact CB-CG1 4.06Å; V754-V789 HydrophobicContact CB-CG2 4.43Å; F759-V789 HydrophobicContact CD1-CG2 4.4Å; F759-V789 HydrophobicContact CE1-CB 4.19Å; F759-V789 HydrophobicContact CE1-CG1 3.78Å; F759-V789 HydrophobicContact CE1-CG2 4.29Å; F759-V789 HydrophobicContact CZ-CB 4.5Å; F759-V789 HydrophobicContact CZ-CG1 4.24Å; F787-V789 HydrophobicContact CE1-CG2 4.13Å; V789-Q791 HydrophobicContact CG1-CG 4.09Å; V789-Y843 WeakPolarHBondContact O-CA 3.21Å; V789-H844 PolarHBondContact N-O 3.33Å; V789-H844 PolarHBondContact O-N 3.29Å; V789-L846 HydrophobicContact CB-CD1 4.46Å; V789-L846 HydrophobicContact CG2-CD1 3.48Å; V789-L846 VanDerWaalsContact CG2-CD1 3.48Å; V789-L846 HydrophobicContact CG2-CG 4.09Å
790	V	98.3	Very high	95.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	116.5	175.6	-171.7	0	0	0	0	109.1	Y750 R751 Y843 V881	Y750-V790 HydrophobicContact CD1-CG2 3.72Å; Y750-V790 HydrophobicContact CG-CG2 4.41Å; R751-V790 PolarHBondContact O-N 3.08Å; V790-Y843 HydrophobicContact CB-CD1 4.49Å; V790-Y843 HydrophobicContact CB-CE1 4.46Å; V790-Y843 HydrophobicContact CG1-CD1 4.25Å; V790-Y843 HydrophobicContact CG1-CE1 3.87Å; V790-Y843 HydrophobicContact CG2-CD1 3.83Å; V790-Y843 HydrophobicContact CG2-CE1 3.86Å; V790-V881 HydrophobicContact CG2-CG2 4.3Å
791	Q	96.1	Very high	95.9	Very high	31 Å²	31	36 Å²	36	15%	0.145	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	113	175.2	-66.6	-171.6	-13.3	0	0	110.8	V754 V789 H794 H842	V754-Q791 PolarHBondContact O-NE2 2.83Å; V789-Q791 HydrophobicContact CG1-CG 4.09Å; Q791-H794 PolarHBondContact O-CD2 3.09Å; Q791-H794 VanDerWaalsContact O-CD2 3.22Å; Q791-H794 PolarHBondContact O-NE2 3.35Å; Q791-H842 HydrophobicContact CB-CB 4.31Å; Q791-H842 PolarHBondContact N-O 3.47Å; Q791-H842 PolarHBondContact O-N 3.18Å; Q791-H842 VanDerWaalsContact O-N 3.07Å
792	K	91.5	Very high	95.9	Very high	20 Å²	20	36.9 Å²	36.9	9%	0.087	17%	0.172	C	C	.	.			trans	-96.8	-8.6	176.4	65.9	-167.6	176.1	-168.4	0	114.3	D752 Y877	D752-K792 WeakPolarHBondContact OD1-CE 3.19Å; D752-K792 IonicContact OD1-NZ 2.98Å; D752-K792 VanDerWaalsContact OD2-CE 3.25Å; D752-K792 WeakPolarHBondContact OD2-CE 3.26Å; D752-K792 IonicContact OD2-NZ 3.3Å; D752-K792 PolarHBondContact OD2-NZ 3.33Å; K792-Y877 HydrophobicContact CD-CE1 4.01Å
793	R	86.8	Confident	95.7	Very high	199 Å²	199	34.1 Å²	34.1	75%	0.751	17%	0.168	S	C	*	.			trans	-109.4	54.9	-171.9	-61.9	-175.3	-176.3	130.5	-0.3	112.3
794	H	93	Very high	95.4	Very high	24 Å²	24	44.2 Å²	44.2	11%	0.111	20%	0.204	C	C	.	.			trans	-119	169.1	174.6	60.7	65.8	0	0	0	112.6	Q791 I796 R797 Y827 P840 H842	Q791-H794 PolarHBondContact O-CD2 3.09Å; Q791-H794 VanDerWaalsContact O-CD2 3.22Å; Q791-H794 PolarHBondContact O-NE2 3.35Å; H794-I796 PolarHBondContact ND1-N 3.21Å; H794-R797 PolarHBondContact O-NH1 2.72Å; H794-R797 PolarHBondContact O-NH2 2.86Å; H794-Y827 AromaticContact CE1-CE1 3.93Å; H794-Y827 AromaticContact NE2-CD1 3.97Å; H794-Y827 AromaticContact NE2-CE1 3.87Å; H794-P840 PolarHBondContact CE1-O 2.79Å; H794-P840 PolarHBondContact NE2-O 3.07Å; H794-H842 PolarHBondContact NE2-N 2.88Å
795	H	95.1	Very high	95.1	Very high	53 Å²	53	44.4 Å²	44.4	25%	0.245	21%	0.206	C	C	.	.			trans	-97.7	-2.2	-176.1	-69.1	-64.4	0	0	0	114.2	N130 I301 N313 D315 R797	N130-H795 PolarHBondContact ND2-O 3.23Å; I301-H795 WeakPolarHBondContact CD1-CE1 3.25Å; N313-H795 WeakPolarHBondContact OD1-CB 3.4Å; D315-H795 HydrophobicContact CB-CB 3.96Å; D315-H795 IonicContact OD2-ND1 3.85Å; H795-R797 PolarHBondContact O-N 2.83Å
796	I	97.6	Very high	94.9	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.026	24%	0.238	C	C	.	.			trans	-61.6	129.4	173.2	-60.6	-61.5	0	0	0	111.9	V129 N130 C131 H794 L798 I818 Y827 P840	V129-I796 HydrophobicContact CG1-CD1 4.32Å; V129-I796 HydrophobicContact CG1-CG2 4.05Å; N130-I796 WeakPolarHBondContact OD1-CA 3.44Å; C131-I796 VanDerWaalsContact SG-CD1 3.56Å; H794-I796 PolarHBondContact ND1-N 3.21Å; I796-L798 HydrophobicContact CG2-CD2 4.26Å; I796-I818 HydrophobicContact CG2-CD1 4.12Å; I796-Y827 HydrophobicContact CB-CD1 4.45Å; I796-Y827 HydrophobicContact CB-CE1 3.91Å; I796-Y827 HydrophobicContact CG1-CE1 3.79Å; I796-Y827 HydrophobicContact CG2-CD1 4.26Å; I796-Y827 HydrophobicContact CG2-CE1 4.11Å; I796-P840 HydrophobicContact CG2-CG 4.36Å
797	R	97.7	Very high	94.8	Very high	10 Å²	10	53.9 Å²	53.9	4%	0.038	24%	0.243	C	C	.	.			trans	-132.2	144.5	174.1	-57.7	-62.5	173.4	-101	-9.9	109.1	N130 D315 F461 H794 H795 T837	N130-R797 HydrophobicContact CB-CB 4.48Å; N130-R797 PolarHBondContact N-O 3.09Å; N130-R797 PolarHBondContact OD1-N 2.77Å; N130-R797 PolarHBondContact OD1-O 2.96Å; D315-R797 IonicContact OD1-NE 3.88Å; D315-R797 IonicContact OD2-CZ 3.92Å; D315-R797 VanDerWaalsContact OD2-CZ 3.27Å; D315-R797 IonicContact OD2-NE 3.64Å; D315-R797 PolarHBondContact OD2-NE 3.3Å; D315-R797 IonicContact OD2-NH2 3.97Å; D315-R797 PolarHBondContact OD2-NH2 3.11Å; F461-R797 HydrophobicContact CE2-CB 4.28Å; H794-R797 PolarHBondContact O-NH1 2.72Å; H794-R797 PolarHBondContact O-NH2 2.86Å; H795-R797 PolarHBondContact O-N 2.83Å; R797-T837 HydrophobicContact CB-CG2 4Å; R797-T837 HydrophobicContact CG-CG2 4.33Å
798	L	98.1	Very high	94.8	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	137.5	179.3	-50.3	178.2	0	0	0	109.3	V127 V129 I796 V808 T812 V814 P840	V127-L798 HydrophobicContact CG2-CD2 4.17Å; V129-L798 HydrophobicContact CG1-CD2 4.35Å; V129-L798 HydrophobicContact CG2-CD2 3.86Å; I796-L798 HydrophobicContact CG2-CD2 4.26Å; L798-V808 HydrophobicContact CB-CG1 3.71Å; L798-V808 HydrophobicContact CB-CG2 4.2Å; L798-T812 HydrophobicContact CD1-CG2 4.01Å; L798-V814 HydrophobicContact CD1-CG2 3.96Å; L798-V814 HydrophobicContact CD2-CG2 4.12Å; L798-P840 HydrophobicContact CD1-CB 4.44Å; L798-P840 HydrophobicContact CD1-CG 4.24Å; L798-P840 HydrophobicContact CG-CG 4.21Å
799	K	97.8	Very high	94.7	Very high	47 Å²	47	58.8 Å²	58.8	20%	0.204	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.4	171.9	178	-165.3	61.8	164.1	0	108.8	V127 T128 P457 F461	V127-K799 WeakPolarHBondContact CA-O 3.42Å; T128-K799 PolarHBondContact N-O 2.84Å; T128-K799 PolarHBondContact O-N 2.82Å; T128-K799 WeakPolarHBondContact OG1-CE 3.25Å; T128-K799 PolarHBondContact OG1-NZ 3.38Å; P457-K799 HydrophobicContact CB-CB 4.06Å; P457-K799 HydrophobicContact CB-CG 3.91Å; F461-K799 HydrophobicContact CB-CD 3.86Å; F461-K799 HydrophobicContact CD1-CB 4.25Å; F461-K799 HydrophobicContact CD1-CD 4.24Å; F461-K799 HydrophobicContact CD2-CB 3.67Å; F461-K799 HydrophobicContact CD2-CD 4.16Å; F461-K799 HydrophobicContact CD2-CG 4.24Å; F461-K799 HydrophobicContact CE1-CB 4.1Å; F461-K799 HydrophobicContact CE2-CB 3.49Å; F461-K799 VanDerWaalsContact CE2-CB 3.49Å; F461-K799 HydrophobicContact CG-CB 4.03Å; F461-K799 HydrophobicContact CG-CD 3.82Å; F461-K799 HydrophobicContact CG-CG 4.38Å; F461-K799 HydrophobicContact CZ-CB 3.7Å
800	P	97.2	Very high	94.7	Very high	14 Å²	14	59.5 Å²	59.5	9%	0.091	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	148	173.2	30.7	-35.9	0	0	0	110.5	A805 V808	P800-A805 HydrophobicContact CB-CB 3.76Å; P800-A805 HydrophobicContact CG-CB 3.68Å; P800-V808 HydrophobicContact CB-CG1 4.32Å
801	Q	95	Very high	94.7	Very high	84 Å²	84	59.4 Å²	59.4	39%	0.393	27%	0.271	S	S	.	.	S	Bend	trans	-70.7	-33.7	174.2	-76.3	-63.4	-11.5	0	0	112.9	Y126 T128 D491 P803	Y126-Q801 VanDerWaalsContact O-CG 3.3Å; Y126-Q801 WeakPolarHBondContact O-CG 3.28Å; T128-Q801 PolarHBondContact OG1-NE2 3.21Å; D491-Q801 PolarHBondContact OD1-NE2 2.86Å; D491-Q801 PolarHBondContact OD2-NE2 2.85Å; D491-Q801 VanDerWaalsContact OD2-NE2 3.1Å; Q801-P803 VanDerWaalsContact O-CD 3.24Å; Q801-P803 WeakPolarHBondContact O-CD 3.26Å
802	D	93	Very high	94.8	Very high	80 Å²	80	58 Å²	58	43%	0.428	26%	0.264	S	S	.	.	S	Bend	trans	-66.7	116.5	175.8	-179.5	3.6	0	0	0	110	R804 A805	D802-R804 PolarHBondContact O-N 3Å; D802-R804 VanDerWaalsContact OD1-CB 3.31Å; D802-R804 WeakPolarHBondContact OD1-CB 3.46Å; D802-R804 PolarHBondContact OD1-N 2.79Å; D802-A805 HydrophobicContact CB-CB 4.05Å; D802-A805 WeakPolarHBondContact O-CB 3.44Å; D802-A805 PolarHBondContact O-N 3.24Å; D802-A805 VanDerWaalsContact O-N 3.08Å
803	P	87.9	Confident	95.1	Very high	108 Å²	108	57 Å²	57	70%	0.701	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.2	178.1	27.3	-35.8	0	0	0	113.1	Q801	Q801-P803 VanDerWaalsContact O-CD 3.24Å; Q801-P803 WeakPolarHBondContact O-CD 3.26Å
804	R	90.2	Very high	95.7	Very high	223 Å²	223	47.5 Å²	47.5	84%	0.842	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-22.5	176.3	-56.9	176.1	-178.4	174.6	1.4	112.4	D802 R806	D802-R804 PolarHBondContact O-N 3Å; D802-R804 VanDerWaalsContact OD1-CB 3.31Å; D802-R804 WeakPolarHBondContact OD1-CB 3.46Å; D802-R804 PolarHBondContact OD1-N 2.79Å; R804-R806 PolarHBondContact O-N 2.85Å
805	A	92.1	Very high	95.9	Very high	28 Å²	28	46.6 Å²	46.6	23%	0.231	22%	0.22	C	C	.	.			trans	-72.1	124.3	-179	0	0	0	0	0	110.6	Q458 P800 D802 N807	Q458-A805 PolarHBondContact NE2-O 3.32Å; P800-A805 HydrophobicContact CB-CB 3.76Å; P800-A805 HydrophobicContact CG-CB 3.68Å; D802-A805 HydrophobicContact CB-CB 4.05Å; D802-A805 WeakPolarHBondContact O-CB 3.44Å; D802-A805 PolarHBondContact O-N 3.24Å; D802-A805 VanDerWaalsContact O-N 3.08Å; A805-N807 VanDerWaalsContact C-N 3.26Å; A805-N807 PolarHBondContact O-N 2.85Å
806	R	92.7	Very high	95.8	Very high	183 Å²	183	45 Å²	45	69%	0.691	21%	0.214	S	C	*	.	S	Bend	trans	-67.9	-28.1	179.6	-67.3	-168.8	-72.9	-163.7	-2.2	113.1	P457 R804	P457-R806 WeakPolarHBondContact CD-O 3.45Å; R804-R806 PolarHBondContact O-N 2.85Å
807	N	96.7	Very high	95.6	Very high	20 Å²	20	46.8 Å²	46.8	11%	0.107	22%	0.223	C	C	.	.	S	Bend	trans	-158.1	172.4	-179.4	-135.6	-42.4	0	0	0	109.9	A805 G836 S838	A805-N807 VanDerWaalsContact C-N 3.26Å; A805-N807 PolarHBondContact O-N 2.85Å; N807-G836 PolarHBondContact ND2-O 3.43Å; N807-G836 VanDerWaalsContact ND2-O 3.08Å; N807-S838 VanDerWaalsContact CG-OG 3.25Å; N807-S838 PolarHBondContact ND2-N 2.9Å; N807-S838 VanDerWaalsContact ND2-N 3.11Å; N807-S838 PolarHBondContact ND2-OG 3.05Å; N807-S838 WeakPolarHBondContact OD1-CB 3.48Å; N807-S838 PolarHBondContact OD1-N 3.22Å; N807-S838 PolarHBondContact OD1-OG 3.35Å
808	V	97.1	Very high	95.6	Very high	8 Å²	8	46.5 Å²	46.5	5%	0.048	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-64.8	149.6	165.5	-65.3	0	0	0	0	110.3	V127 L798 P800 T812 C829	V127-V808 HydrophobicContact CG1-CG1 3.89Å; L798-V808 HydrophobicContact CB-CG1 3.71Å; L798-V808 HydrophobicContact CB-CG2 4.2Å; P800-V808 HydrophobicContact CB-CG1 4.32Å; V808-T812 HydrophobicContact CB-CG2 4.38Å; V808-C829 HydrophobicContact CG2-CB 3.94Å
809	E	96.4	Very high	95.5	Very high	95 Å²	95	46.6 Å²	46.6	44%	0.444	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-68.9	141.4	-178.3	-66.8	-177.7	-140.3	0	0	110.8	V496 G811 T812	V496-E809 HydrophobicContact CG1-CB 3.96Å; V496-E809 HydrophobicContact CG2-CB 4.16Å; E809-G811 PolarHBondContact O-N 2.79Å; E809-T812 PolarHBondContact N-OG1 2.65Å; E809-T812 WeakPolarHBondContact O-CB 3.44Å; E809-T812 PolarHBondContact O-N 2.83Å; E809-T812 PolarHBondContact O-OG1 3.28Å
810	P	97.8	Very high	95.3	Very high	15 Å²	15	45.2 Å²	45.2	10%	0.097	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	129.7	168.5	-21.4	32.4	0	0	0	110.1	A514 C829 E832 Y862	A514-P810 HydrophobicContact CB-CB 4.13Å; A514-P810 HydrophobicContact CB-CG 4.23Å; P810-C829 CarbonylContact C-O 3.54Å; P810-C829 WeakPolarHBondContact CA-O 3.16Å; P810-E832 HydrophobicContact CG-CB 4.01Å; P810-Y862 VanDerWaalsContact C-OH 3.29Å; P810-Y862 PolarHBondContact O-OH 2.84Å; P810-Y862 VanDerWaalsContact O-OH 3.09Å
811	G	98.2	Very high	95	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.7	-1.5	-171.1	0	0	0	0	0	114	L497 E809 V813 C829 Y862	L497-G811 PolarHBondContact N-O 2.74Å; E809-G811 PolarHBondContact O-N 2.79Å; G811-V813 PolarHBondContact O-N 2.87Å; G811-V813 VanDerWaalsContact O-N 3.09Å; G811-C829 PolarHBondContact N-O 3.46Å; G811-Y862 PolarHBondContact N-OH 3.31Å
812	T	98.5	Very high	94.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	115	168.8	-65.3	0	0	0	0	109.9	I125 V127 R495 L798 V808 E809 I828 C829	I125-T812 HydrophobicContact CD1-CG2 4.33Å; V127-T812 HydrophobicContact CG1-CG2 4.16Å; R495-T812 CarbonylContact O-C 3.4Å; R495-T812 VanDerWaalsContact O-CA 3.24Å; R495-T812 WeakPolarHBondContact O-CA 3.31Å; L798-T812 HydrophobicContact CD1-CG2 4.01Å; V808-T812 HydrophobicContact CB-CG2 4.38Å; E809-T812 PolarHBondContact N-OG1 2.65Å; E809-T812 WeakPolarHBondContact O-CB 3.44Å; E809-T812 PolarHBondContact O-N 2.83Å; E809-T812 PolarHBondContact O-OG1 3.28Å; T812-I828 WeakPolarHBondContact O-CA 3.49Å; T812-C829 PolarHBondContact O-N 3.26Å
813	V	98.7	Very high	95	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134.1	174.7	59.8	0	0	0	0	109.9	S494 R495 L497 G811 Y827 I828 Q858	S494-V813 WeakPolarHBondContact CA-O 3.36Å; S494-V813 VanDerWaalsContact CB-O 3.31Å; S494-V813 WeakPolarHBondContact CB-O 3.4Å; R495-V813 HydrophobicContact CB-CG1 3.94Å; R495-V813 PolarHBondContact N-O 2.9Å; R495-V813 VanDerWaalsContact N-O 3.1Å; R495-V813 PolarHBondContact O-N 2.87Å; L497-V813 HydrophobicContact CD1-CB 4.3Å; L497-V813 HydrophobicContact CD1-CG1 4.16Å; L497-V813 HydrophobicContact CD2-CG1 3.89Å; L497-V813 HydrophobicContact CG-CB 4.35Å; L497-V813 HydrophobicContact CG-CG1 3.78Å; G811-V813 PolarHBondContact O-N 2.87Å; G811-V813 VanDerWaalsContact O-N 3.09Å; V813-Y827 CarbonylContact C-O 3.49Å; V813-Y827 VanDerWaalsContact CA-O 3.27Å; V813-Y827 WeakPolarHBondContact CA-O 3.31Å; V813-I828 HydrophobicContact CB-CG1 4.28Å; V813-I828 HydrophobicContact CG2-CG1 4.01Å; V813-Q858 HydrophobicContact CG2-CG 4.23Å
814	V	98.3	Very high	95.4	Very high	0 Å²	0	43 Å²	43	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	109.5	171.1	-172.6	0	0	0	0	107.2	V127 V492 L798 I818 Y827	V127-V814 HydrophobicContact CG2-CG2 3.98Å; V492-V814 HydrophobicContact CB-CG1 4.49Å; V492-V814 HydrophobicContact CG2-CG1 3.74Å; V492-V814 HydrophobicContact CG2-CG2 4.32Å; L798-V814 HydrophobicContact CD1-CG2 3.96Å; L798-V814 HydrophobicContact CD2-CG2 4.12Å; V814-I818 HydrophobicContact CB-CD1 4.22Å; V814-I818 HydrophobicContact CG1-CD1 3.69Å; V814-I818 HydrophobicContact CG1-CG1 3.57Å; V814-Y827 PolarHBondContact N-O 3.27Å; V814-Y827 PolarHBondContact O-N 3.2Å
815	D	97.1	Very high	95.7	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.027	15%	0.145	C	C	.	.			trans	-114.5	-8.2	179.9	61.7	-20.7	0	0	0	112.6	R114 G119 R495 T819 F826 Q858	R114-D815 PolarHBondContact NH1-O 2.79Å; R114-D815 IonicContact NH1-OD2 2.61Å; R114-D815 PolarHBondContact NH2-O 2.77Å; G119-D815 PolarHBondContact N-OD2 3.39Å; R495-D815 IonicContact NH2-OD1 3.7Å; R495-D815 IonicContact NH2-OD2 2.65Å; R495-D815 PolarHBondContact NH2-OD2 2.84Å; D815-T819 WeakPolarHBondContact O-CB 3.38Å; D815-T819 WeakPolarHBondContact O-CG2 3.43Å; D815-T819 PolarHBondContact O-OG1 3.34Å; D815-F826 HydrophobicContact CB-CB 3.67Å; D815-Q858 PolarHBondContact OD2-NE2 2.9Å
816	T	94.2	Very high	96	Very high	19 Å²	19	31.2 Å²	31.2	12%	0.117	13%	0.134	C	C	.	.	S	Bend	trans	-115.3	173.1	176.5	63.9	0	0	0	0	112.4	W308 I818	W308-T816 HydrophobicContact CH2-CG2 4.01Å; W308-T816 HydrophobicContact CZ2-CG2 4.05Å; T816-I818 PolarHBondContact O-N 2.83Å
817	D	93.9	Very high	96.3	Very high	43 Å²	43	23.2 Å²	23.2	23%	0.23	10%	0.104	C	C	.	.	S	Bend	trans	65.8	-49.1	172.1	-62.5	-81.1	0	0	0	116.7	Q307 W308 R311 V492	Q307-D817 WeakPolarHBondContact CB-O 3.38Å; W308-D817 WeakPolarHBondContact CB-O 3.4Å; W308-D817 VanDerWaalsContact CE2-N 3.29Å; W308-D817 PolarHBondContact N-O 2.92Å; R311-D817 PolarHBondContact NH1-O 3.42Å; V492-D817 HydrophobicContact CB-CB 4.26Å; V492-D817 HydrophobicContact CG1-CB 3.84Å
818	I	96.3	Very high	96.4	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.015	10%	0.098	C	C	.	.	S	Bend	trans	-106	2.6	-176.7	59.4	155.4	0	0	0	113.3	V129 Q307 R311 V492 I796 V814 T816 Y827	V129-I818 HydrophobicContact CB-CG2 4.37Å; V129-I818 HydrophobicContact CG1-CD1 4.07Å; V129-I818 HydrophobicContact CG1-CG2 4.19Å; V129-I818 HydrophobicContact CG2-CD1 4.14Å; V129-I818 HydrophobicContact CG2-CG2 4.24Å; Q307-I818 VanDerWaalsContact CD-CA 3.45Å; Q307-I818 PolarHBondContact NE2-O 2.91Å; Q307-I818 VanDerWaalsContact NE2-O 3.14Å; R311-I818 VanDerWaalsContact NH1-CG2 3.34Å; V492-I818 HydrophobicContact CG1-CG2 3.87Å; I796-I818 HydrophobicContact CG2-CD1 4.12Å; V814-I818 HydrophobicContact CB-CD1 4.22Å; V814-I818 HydrophobicContact CG1-CD1 3.69Å; V814-I818 HydrophobicContact CG1-CG1 3.57Å; T816-I818 PolarHBondContact O-N 2.83Å; I818-Y827 HydrophobicContact CD1-CD2 3.81Å; I818-Y827 HydrophobicContact CD1-CE2 3.94Å; I818-Y827 HydrophobicContact CG1-CD2 4.3Å; I818-Y827 HydrophobicContact CG1-CE2 4.27Å
819	T	95.8	Very high	96.5	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.018	10%	0.096	C	C	.	.	S	Bend	trans	-98.2	180	175.6	49.7	0	0	0	0	110.6	R114 D815 D825 Y827	R114-T819 PolarHBondContact NH2-OG1 2.83Å; D815-T819 WeakPolarHBondContact O-CB 3.38Å; D815-T819 WeakPolarHBondContact O-CG2 3.43Å; D815-T819 PolarHBondContact O-OG1 3.34Å; T819-D825 WeakPolarHBondContact CA-OD2 3.48Å; T819-D825 WeakPolarHBondContact CB-OD1 3.33Å; T819-D825 VanDerWaalsContact CB-OD2 3.31Å; T819-D825 WeakPolarHBondContact CB-OD2 3.16Å; T819-D825 WeakPolarHBondContact CG2-O 3.36Å; T819-Y827 HydrophobicContact CG2-CD2 4.02Å; T819-Y827 HydrophobicContact CG2-CE2 4.09Å
820	H	94.2	Very high	96.5	Very high	18 Å²	18	17.3 Å²	17.3	8%	0.083	8%	0.075	C	C	.	.			trans	-65.5	143.7	169.5	-163.8	-99	0	0	0	110.4	Y241 W308 R822 E823 D825	Y241-H820 AromaticContact CZ-NE2 3.86Å; Y241-H820 PolarHBondContact OH-NE2 3.19Å; W308-H820 PolarHBondContact NE1-O 3.42Å; H820-R822 VanDerWaalsContact C-N 3.27Å; H820-R822 PolarHBondContact ND1-N 3.37Å; H820-R822 PolarHBondContact O-N 3.07Å; H820-E823 HydrophobicContact CB-CB 3.87Å; H820-E823 IonicContact CE1-OE1 3.33Å; H820-E823 IonicContact CG-OE2 3.95Å; H820-E823 WeakPolarHBondContact ND1-CB 3.22Å; H820-E823 VanDerWaalsContact ND1-CG 3.31Å; H820-E823 WeakPolarHBondContact ND1-CG 3.16Å; H820-E823 PolarHBondContact ND1-N 3.03Å; H820-E823 IonicContact ND1-OE2 3.65Å; H820-D825 VanDerWaalsContact CB-OD1 3.29Å; H820-D825 WeakPolarHBondContact CB-OD1 3.34Å; H820-D825 PolarHBondContact N-OD1 2.7Å; H820-D825 PolarHBondContact N-OD2 3.41Å
821	R	91.7	Very high	96.5	Very high	161 Å²	161	18.5 Å²	18.5	61%	0.608	8%	0.079	S	C	*	.	S	Bend	trans	-63.2	-34.1	-176.6	-166.1	176.1	-157.6	-82.3	-2	113
822	R	92.6	Very high	96.3	Very high	72 Å²	72	22 Å²	22	27%	0.272	10%	0.095	S	C	.	.	S	Bend	trans	-120.5	-32.3	-172.7	179.9	176	63.8	119.7	-10.6	113.9	N113 R114 K246 A247 H820	N113-R822 CarbonylContact C-O 3.45Å; N113-R822 WeakPolarHBondContact CA-O 3.42Å; N113-R822 HydrophobicContact CB-CG 4.11Å; N113-R822 WeakPolarHBondContact OD1-CD 3.49Å; N113-R822 WeakPolarHBondContact OD1-CG 3.45Å; N113-R822 PolarHBondContact OD1-NE 3.28Å; N113-R822 PolarHBondContact OD1-NH1 3.49Å; R114-R822 PolarHBondContact N-O 3.41Å; K246-R822 PolarHBondContact O-NH2 3.5Å; A247-R822 PolarHBondContact O-NH2 2.89Å; H820-R822 VanDerWaalsContact C-N 3.27Å; H820-R822 PolarHBondContact ND1-N 3.37Å; H820-R822 PolarHBondContact O-N 3.07Å
823	E	94.5	Very high	95.9	Very high	3 Å²	3	22.9 Å²	22.9	1%	0.014	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-79.5	159.2	-171.7	-69.6	172.3	-179.4	0	0	109.7	I111 P112 T248 S249 H820 D825	I111-E823 HydrophobicContact CB-CG 4.19Å; I111-E823 HydrophobicContact CG2-CB 4.04Å; I111-E823 HydrophobicContact CG2-CG 3.73Å; P112-E823 WeakPolarHBondContact O-CA 3.49Å; T248-E823 WeakPolarHBondContact CA-OE1 3.22Å; T248-E823 WeakPolarHBondContact CB-OE1 3.49Å; S249-E823 VanDerWaalsContact CB-OE2 3.26Å; S249-E823 WeakPolarHBondContact CB-OE2 3.45Å; S249-E823 PolarHBondContact N-OE1 3.4Å; S249-E823 PolarHBondContact OG-OE2 3.47Å; H820-E823 HydrophobicContact CB-CB 3.87Å; H820-E823 IonicContact CE1-OE1 3.33Å; H820-E823 IonicContact CG-OE2 3.95Å; H820-E823 WeakPolarHBondContact ND1-CB 3.22Å; H820-E823 VanDerWaalsContact ND1-CG 3.31Å; H820-E823 WeakPolarHBondContact ND1-CG 3.16Å; H820-E823 PolarHBondContact ND1-N 3.03Å; H820-E823 IonicContact ND1-OE2 3.65Å; E823-D825 PolarHBondContact O-N 3.37Å; E823-D825 VanDerWaalsContact O-N 3.17Å
824	F	96.4	Very high	95.3	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.018	13%	0.128	C	C	.	.			trans	-86.5	85.4	179.4	-167.3	-172.5	0	0	0	111.1	P112 R114 P115 F826 V845 L857	P112-F824 PolarHBondContact O-N 3.29Å; R114-F824 HydrophobicContact CG-CD2 4.42Å; P115-F824 HydrophobicContact CG-CD1 4.18Å; P115-F824 HydrophobicContact CG-CE1 3.93Å; P115-F824 HydrophobicContact CG-CZ 4.26Å; F824-F826 HydrophobicContact CD2-CD1 4.15Å; F824-F826 HydrophobicContact CD2-CE1 4.47Å; F824-F826 AromaticContact CE2-CD1 3.79Å; F824-F826 HydrophobicContact CE2-CD1 3.79Å; F824-F826 AromaticContact CE2-CE1 3.94Å; F824-F826 HydrophobicContact CE2-CE1 3.94Å; F824-F826 HydrophobicContact CZ-CE1 4.34Å; F824-V845 HydrophobicContact CB-CB 4.07Å; F824-V845 HydrophobicContact CB-CG2 4.26Å; F824-V845 HydrophobicContact CD1-CB 3.98Å; F824-V845 HydrophobicContact CD1-CG1 4.25Å; F824-V845 HydrophobicContact CD1-CG2 3.65Å; F824-V845 HydrophobicContact CD2-CG2 4.4Å; F824-V845 HydrophobicContact CE1-CG2 4.03Å; F824-V845 HydrophobicContact CG-CB 4.16Å; F824-V845 HydrophobicContact CG-CG2 3.85Å; F824-V845 WeakPolarHBondContact O-CB 3.5Å; F824-V845 WeakPolarHBondContact O-CG2 3.48Å; F824-V845 PolarHBondContact O-N 3.24Å; F824-L857 HydrophobicContact CD1-CD2 4.45Å; F824-L857 HydrophobicContact CE1-CB 4.42Å; F824-L857 HydrophobicContact CE1-CD2 3.63Å; F824-L857 HydrophobicContact CZ-CB 4.07Å; F824-L857 HydrophobicContact CZ-CD2 3.77Å; F824-L857 HydrophobicContact CZ-CG 4.47Å
825	D	97.2	Very high	94.8	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	153.2	172.3	74.2	-54.5	0	0	0	112.2	R114 T819 H820 E823 H842 Y843	R114-D825 PolarHBondContact NH2-O 2.98Å; R114-D825 IonicContact NH2-OD1 3.86Å; T819-D825 WeakPolarHBondContact CA-OD2 3.48Å; T819-D825 WeakPolarHBondContact CB-OD1 3.33Å; T819-D825 VanDerWaalsContact CB-OD2 3.31Å; T819-D825 WeakPolarHBondContact CB-OD2 3.16Å; T819-D825 WeakPolarHBondContact CG2-O 3.36Å; H820-D825 VanDerWaalsContact CB-OD1 3.29Å; H820-D825 WeakPolarHBondContact CB-OD1 3.34Å; H820-D825 PolarHBondContact N-OD1 2.7Å; H820-D825 PolarHBondContact N-OD2 3.41Å; E823-D825 PolarHBondContact O-N 3.37Å; E823-D825 VanDerWaalsContact O-N 3.17Å; D825-H842 IonicContact OD2-CD2 2.61Å; D825-H842 IonicContact OD2-CE1 2.74Å; D825-H842 IonicContact OD2-NE2 2.56Å; D825-H842 PolarHBondContact OD2-NE2 3.05Å; D825-Y843 CarbonylContact C-O 3.6Å; D825-Y843 WeakPolarHBondContact CA-O 3.5Å; D825-Y843 VanDerWaalsContact CB-O 3.32Å; D825-Y843 WeakPolarHBondContact CB-O 3.34Å
826	F	98.5	Very high	94.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	155.1	-178.2	56.5	-90.3	0	0	0	112.5	D815 F824 I828 Y843 V845 L857 Q858 T861	D815-F826 HydrophobicContact CB-CB 3.67Å; F824-F826 HydrophobicContact CD2-CD1 4.15Å; F824-F826 HydrophobicContact CD2-CE1 4.47Å; F824-F826 AromaticContact CE2-CD1 3.79Å; F824-F826 HydrophobicContact CE2-CD1 3.79Å; F824-F826 AromaticContact CE2-CE1 3.94Å; F824-F826 HydrophobicContact CE2-CE1 3.94Å; F824-F826 HydrophobicContact CZ-CE1 4.34Å; F826-I828 HydrophobicContact CD2-CD1 3.81Å; F826-I828 HydrophobicContact CD2-CG1 3.63Å; F826-I828 HydrophobicContact CE2-CD1 3.53Å; F826-I828 HydrophobicContact CE2-CG1 3.82Å; F826-Y843 AromaticContact CD2-CD2 3.72Å; F826-Y843 HydrophobicContact CD2-CD2 3.72Å; F826-Y843 HydrophobicContact CD2-CG 4.21Å; F826-Y843 AromaticContact CE2-CD2 3.4Å; F826-Y843 HydrophobicContact CE2-CD2 3.4Å; F826-Y843 VanDerWaalsContact CE2-CD2 3.4Å; F826-Y843 HydrophobicContact CE2-CE2 4.2Å; F826-Y843 AromaticContact CE2-CG 3.61Å; F826-Y843 HydrophobicContact CE2-CG 3.61Å; F826-Y843 HydrophobicContact CZ-CD2 4.22Å; F826-Y843 AromaticContact CZ-CG 3.96Å; F826-Y843 HydrophobicContact CZ-CG 3.96Å; F826-Y843 PolarHBondContact N-O 2.73Å; F826-Y843 PolarHBondContact O-N 3.18Å; F826-V845 HydrophobicContact CE1-CG2 4.39Å; F826-L857 HydrophobicContact CE1-CD2 4.24Å; F826-L857 HydrophobicContact CE1-CG 4.49Å; F826-L857 HydrophobicContact CZ-CG 4.42Å; F826-Q858 HydrophobicContact CD1-CG 4.05Å; F826-Q858 HydrophobicContact CD2-CG 3.84Å; F826-Q858 HydrophobicContact CE1-CG 4.14Å; F826-Q858 HydrophobicContact CE2-CG 3.94Å; F826-Q858 HydrophobicContact CG-CG 3.9Å; F826-Q858 HydrophobicContact CZ-CG 4.08Å; F826-T861 HydrophobicContact CE2-CG2 4.43Å
827	Y	98.6	Very high	94.7	Very high	14 Å²	14	34.2 Å²	34.2	6%	0.055	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	135.1	173.1	-65.8	-92.2	0	0	0	110.3	H794 I796 V813 V814 I818 T819 P840 S841 H842	H794-Y827 AromaticContact CE1-CE1 3.93Å; H794-Y827 AromaticContact NE2-CD1 3.97Å; H794-Y827 AromaticContact NE2-CE1 3.87Å; I796-Y827 HydrophobicContact CB-CD1 4.45Å; I796-Y827 HydrophobicContact CB-CE1 3.91Å; I796-Y827 HydrophobicContact CG1-CE1 3.79Å; I796-Y827 HydrophobicContact CG2-CD1 4.26Å; I796-Y827 HydrophobicContact CG2-CE1 4.11Å; V813-Y827 CarbonylContact C-O 3.49Å; V813-Y827 VanDerWaalsContact CA-O 3.27Å; V813-Y827 WeakPolarHBondContact CA-O 3.31Å; V814-Y827 PolarHBondContact N-O 3.27Å; V814-Y827 PolarHBondContact O-N 3.2Å; I818-Y827 HydrophobicContact CD1-CD2 3.81Å; I818-Y827 HydrophobicContact CD1-CE2 3.94Å; I818-Y827 HydrophobicContact CG1-CD2 4.3Å; I818-Y827 HydrophobicContact CG1-CE2 4.27Å; T819-Y827 HydrophobicContact CG2-CD2 4.02Å; T819-Y827 HydrophobicContact CG2-CE2 4.09Å; Y827-P840 HydrophobicContact CD1-CB 4.5Å; Y827-P840 HydrophobicContact CD1-CG 4.29Å; Y827-S841 VanDerWaalsContact CA-O 3.32Å; Y827-S841 WeakPolarHBondContact CA-O 3.34Å; Y827-H842 HydrophobicContact CD1-CB 3.69Å; Y827-H842 AromaticContact CD1-CG 3.91Å; Y827-H842 HydrophobicContact CE1-CB 3.45Å; Y827-H842 VanDerWaalsContact CE1-CB 3.45Å; Y827-H842 AromaticContact CE1-CD2 3.92Å; Y827-H842 AromaticContact CE1-CG 3.4Å; Y827-H842 AromaticContact CE1-ND1 3.63Å; Y827-H842 AromaticContact CE2-CD2 3.83Å; Y827-H842 AromaticContact CE2-NE2 3.78Å; Y827-H842 AromaticContact CZ-CD2 3.7Å; Y827-H842 AromaticContact CZ-CE1 3.59Å; Y827-H842 AromaticContact CZ-CG 3.49Å; Y827-H842 VanDerWaalsContact CZ-CG 3.49Å; Y827-H842 AromaticContact CZ-ND1 3.39Å; Y827-H842 AromaticContact CZ-NE2 3.75Å; Y827-H842 PolarHBondContact OH-CE1 3.22Å; Y827-H842 VanDerWaalsContact OH-CE1 3.25Å; Y827-H842 PolarHBondContact OH-ND1 3.23Å; Y827-H842 VanDerWaalsContact OH-ND1 3.15Å
828	I	98.5	Very high	94.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	128.1	169.3	-48.3	-173.6	0	0	0	110.3	L497 T812 V813 F826 S830 P840 S841 Y843 Q858 T861 Y862	L497-I828 HydrophobicContact CD1-CD1 4.5Å; T812-I828 WeakPolarHBondContact O-CA 3.49Å; V813-I828 HydrophobicContact CB-CG1 4.28Å; V813-I828 HydrophobicContact CG2-CG1 4.01Å; F826-I828 HydrophobicContact CD2-CD1 3.81Å; F826-I828 HydrophobicContact CD2-CG1 3.63Å; F826-I828 HydrophobicContact CE2-CD1 3.53Å; F826-I828 HydrophobicContact CE2-CG1 3.82Å; I828-S830 WeakPolarHBondContact CG2-OG 3.34Å; I828-S830 PolarHBondContact O-N 3.39Å; I828-P840 WeakPolarHBondContact O-CA 3.22Å; I828-S841 PolarHBondContact N-O 3.22Å; I828-S841 PolarHBondContact O-N 2.97Å; I828-Y843 HydrophobicContact CB-CE2 3.95Å; I828-Y843 HydrophobicContact CD1-CE2 4.36Å; I828-Y843 HydrophobicContact CG1-CD2 4.26Å; I828-Y843 HydrophobicContact CG1-CE2 3.95Å; I828-Q858 HydrophobicContact CD1-CB 4.31Å; I828-T861 HydrophobicContact CD1-CG2 4.4Å; I828-Y862 HydrophobicContact CG2-CD2 4.29Å
829	C	98.3	Very high	94.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	84.4	164.1	-173.4	0	0	0	0	109.6	V808 P810 G811 T812 H831 S838 P840	V808-C829 HydrophobicContact CG2-CB 3.94Å; P810-C829 CarbonylContact C-O 3.54Å; P810-C829 WeakPolarHBondContact CA-O 3.16Å; G811-C829 PolarHBondContact N-O 3.46Å; T812-C829 PolarHBondContact O-N 3.26Å; C829-H831 PolarHBondContact O-N 2.88Å; C829-S838 WeakPolarHBondContact SG-CB 3.49Å; C829-P840 HydrophobicContact CB-CB 4.27Å
830	S	98.1	Very high	94.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.169	C	C	.	.			trans	-78.4	-13	-171.8	-56.3	0	0	0	0	115.6	I828 C865 S874 V875	I828-S830 WeakPolarHBondContact CG2-OG 3.34Å; I828-S830 PolarHBondContact O-N 3.39Å; S830-C865 VanDerWaalsContact CB-SG 3.52Å; S830-C865 PolarHBondContact OG-SG 2.66Å; S830-C865 VanDerWaalsContact OG-SG 3.36Å; S830-S874 VanDerWaalsContact O-CB 3.25Å; S830-S874 WeakPolarHBondContact O-CB 3.45Å; S830-S874 PolarHBondContact O-OG 3.29Å; S830-V875 WeakPolarHBondContact CB-O 3.29Å
831	H	97	Very high	95	Very high	40 Å²	40	35.7 Å²	35.7	19%	0.185	17%	0.166	C	C	.	.	S	Bend	trans	-122.7	159	-168.9	69.8	-70.1	0	0	0	112.7	C829 G833 K839 S874 S876	C829-H831 PolarHBondContact O-N 2.88Å; H831-G833 PolarHBondContact O-N 3.35Å; H831-K839 PolarHBondContact CE1-O 3.17Å; H831-S874 VanDerWaalsContact CB-O 3.23Å; H831-S874 WeakPolarHBondContact CB-O 3.38Å; H831-S876 WeakPolarHBondContact ND1-CA 3.38Å; H831-S876 VanDerWaalsContact ND1-CB 3.34Å; H831-S876 WeakPolarHBondContact ND1-CB 3.36Å
832	E	94.5	Very high	95.3	Very high	73 Å²	73	28.4 Å²	28.4	34%	0.341	14%	0.139	S	C	.	.			trans	-79.3	116.1	171.6	-174.4	-176.5	-163.1	0	0	110.6	S516 P810 I834 R873	S516-E832 PolarHBondContact OG-OE2 3.48Å; P810-E832 HydrophobicContact CG-CB 4.01Å; E832-I834 PolarHBondContact O-N 2.89Å; E832-I834 VanDerWaalsContact O-N 3.12Å; E832-R873 IonicContact OE2-CZ 3.24Å; E832-R873 IonicContact OE2-NH1 3.46Å; E832-R873 PolarHBondContact OE2-NH1 3.38Å
833	G	89.2	Confident	95.6	Very high	19 Å²	19	25 Å²	25	20%	0.196	13%	0.126	C	C	.	.			trans	-77.2	92.1	173.7	0	0	0	0	0	111.6	H831 Q835 S838	H831-G833 PolarHBondContact O-N 3.35Å; G833-Q835 VanDerWaalsContact C-N 3.28Å; G833-Q835 PolarHBondContact O-N 2.97Å; G833-S838 VanDerWaalsContact CA-OG 3.29Å; G833-S838 WeakPolarHBondContact CA-OG 3.37Å; G833-S838 PolarHBondContact N-OG 3.44Å
834	I	86.8	Confident	95.8	Very high	94 Å²	94	25.2 Å²	25.2	48%	0.482	13%	0.127	S	C	.	.	S	Bend	trans	-60.2	-38.8	179.6	-56.1	175.8	0	0	0	111.3	E832	E832-I834 PolarHBondContact O-N 2.89Å; E832-I834 VanDerWaalsContact O-N 3.12Å
835	Q	87.5	Confident	95.8	Very high	147 Å²	147	25 Å²	25	69%	0.687	13%	0.126	S	C	*	.	S	Bend	trans	-136.2	143.8	-179.2	-68.4	-175.6	-30.6	0	0	110.7	A454 G833	A454-Q835 HydrophobicContact CB-CB 4.42Å; G833-Q835 VanDerWaalsContact C-N 3.28Å; G833-Q835 PolarHBondContact O-N 2.97Å
836	G	93.6	Very high	95.8	Very high	9 Å²	9	24.9 Å²	24.9	9%	0.093	13%	0.126	C	C	.	.	S	Bend	trans	68.9	-158.7	179.7	0	0	0	0	0	114.3	V455 N807	V455-G836 CarbonylContact O-C 3.54Å; V455-G836 VanDerWaalsContact O-C 3.29Å; V455-G836 VanDerWaalsContact O-CA 3.28Å; V455-G836 WeakPolarHBondContact O-CA 3.46Å; N807-G836 PolarHBondContact ND2-O 3.43Å; N807-G836 VanDerWaalsContact ND2-O 3.08Å
837	T	95.4	Very high	95.7	Very high	11 Å²	11	27.1 Å²	27.1	7%	0.067	13%	0.134	C	C	.	.			trans	-93.4	129.5	178	-56.2	0	0	0	0	109.4	V455 P457 R460 R797	V455-T837 PolarHBondContact O-N 3.49Å; V455-T837 PolarHBondContact O-OG1 2.92Å; P457-T837 WeakPolarHBondContact CA-OG1 2.86Å; P457-T837 HydrophobicContact CB-CG2 4.36Å; P457-T837 HydrophobicContact CG-CG2 4.07Å; R460-T837 WeakPolarHBondContact CD-OG1 3.35Å; R460-T837 PolarHBondContact NE-OG1 3.37Å; R460-T837 VanDerWaalsContact NE-OG1 3.08Å; R797-T837 HydrophobicContact CB-CG2 4Å; R797-T837 HydrophobicContact CG-CG2 4.33Å
838	S	95.4	Very high	95.6	Very high	4 Å²	4	28 Å²	28	3%	0.028	14%	0.14	C	C	.	.			trans	-63.7	144.1	179.2	-70.8	0	0	0	0	110.7	N807 C829 G833	N807-S838 VanDerWaalsContact CG-OG 3.25Å; N807-S838 PolarHBondContact ND2-N 2.9Å; N807-S838 VanDerWaalsContact ND2-N 3.11Å; N807-S838 PolarHBondContact ND2-OG 3.05Å; N807-S838 WeakPolarHBondContact OD1-CB 3.48Å; N807-S838 PolarHBondContact OD1-N 3.22Å; N807-S838 PolarHBondContact OD1-OG 3.35Å; C829-S838 WeakPolarHBondContact SG-CB 3.49Å; G833-S838 VanDerWaalsContact CA-OG 3.29Å; G833-S838 WeakPolarHBondContact CA-OG 3.37Å; G833-S838 PolarHBondContact N-OG 3.44Å
839	K	95.5	Very high	95.4	Very high	89 Å²	89	31.3 Å²	31.3	39%	0.387	16%	0.158	S	C	.	.			trans	-102.8	111.7	173.2	-60.9	-174.8	-176.6	174.9	0	108.3	H831	H831-K839 PolarHBondContact CE1-O 3.17Å
840	P	97.9	Very high	95.2	Very high	2 Å²	2	32 Å²	32	1%	0.013	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-64	161.3	169.6	28.1	-30.7	0	0	0	109.4	H794 I796 L798 Y827 I828 C829	H794-P840 PolarHBondContact CE1-O 2.79Å; H794-P840 PolarHBondContact NE2-O 3.07Å; I796-P840 HydrophobicContact CG2-CG 4.36Å; L798-P840 HydrophobicContact CD1-CB 4.44Å; L798-P840 HydrophobicContact CD1-CG 4.24Å; L798-P840 HydrophobicContact CG-CG 4.21Å; Y827-P840 HydrophobicContact CD1-CB 4.5Å; Y827-P840 HydrophobicContact CD1-CG 4.29Å; I828-P840 WeakPolarHBondContact O-CA 3.22Å; C829-P840 HydrophobicContact CB-CB 4.27Å
841	S	98.1	Very high	94.8	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	142.1	166.5	-58.1	0	0	0	0	108.7	Y827 I828 Y843 S876	Y827-S841 VanDerWaalsContact CA-O 3.32Å; Y827-S841 WeakPolarHBondContact CA-O 3.34Å; I828-S841 PolarHBondContact N-O 3.22Å; I828-S841 PolarHBondContact O-N 2.97Å; S841-Y843 WeakPolarHBondContact O-CD2 3.37Å; S841-Y843 VanDerWaalsContact O-CE2 3.31Å; S841-Y843 WeakPolarHBondContact O-CE2 3.37Å; S841-S876 PolarHBondContact OG-O 3.29Å
842	H	98.2	Very high	94.7	Very high	9 Å²	9	37.2 Å²	37.2	4%	0.042	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	128.9	176.8	-168.3	-173.9	0	0	0	109.5	Q791 H794 D825 Y827 H844	Q791-H842 HydrophobicContact CB-CB 4.31Å; Q791-H842 PolarHBondContact N-O 3.47Å; Q791-H842 PolarHBondContact O-N 3.18Å; Q791-H842 VanDerWaalsContact O-N 3.07Å; H794-H842 PolarHBondContact NE2-N 2.88Å; D825-H842 IonicContact OD2-CD2 2.61Å; D825-H842 IonicContact OD2-CE1 2.74Å; D825-H842 IonicContact OD2-NE2 2.56Å; D825-H842 PolarHBondContact OD2-NE2 3.05Å; Y827-H842 HydrophobicContact CD1-CB 3.69Å; Y827-H842 AromaticContact CD1-CG 3.91Å; Y827-H842 HydrophobicContact CE1-CB 3.45Å; Y827-H842 VanDerWaalsContact CE1-CB 3.45Å; Y827-H842 AromaticContact CE1-CD2 3.92Å; Y827-H842 AromaticContact CE1-CG 3.4Å; Y827-H842 AromaticContact CE1-ND1 3.63Å; Y827-H842 AromaticContact CE2-CD2 3.83Å; Y827-H842 AromaticContact CE2-NE2 3.78Å; Y827-H842 AromaticContact CZ-CD2 3.7Å; Y827-H842 AromaticContact CZ-CE1 3.59Å; Y827-H842 AromaticContact CZ-CG 3.49Å; Y827-H842 VanDerWaalsContact CZ-CG 3.49Å; Y827-H842 AromaticContact CZ-ND1 3.39Å; Y827-H842 AromaticContact CZ-NE2 3.75Å; Y827-H842 PolarHBondContact OH-CE1 3.22Å; Y827-H842 VanDerWaalsContact OH-CE1 3.25Å; Y827-H842 PolarHBondContact OH-ND1 3.23Å; Y827-H842 VanDerWaalsContact OH-ND1 3.15Å; H842-H844 AromaticContact CD2-NE2 3.87Å; H842-H844 AromaticContact CE1-CE1 3.2Å; H842-H844 PolarHBondContact CE1-CE1 3.31Å; H842-H844 AromaticContact CE1-NE2 3.15Å; H842-H844 PolarHBondContact CE1-NE2 2.94Å; H842-H844 AromaticContact CG-NE2 3.7Å; H842-H844 AromaticContact ND1-CE1 3.83Å; H842-H844 AromaticContact ND1-NE2 3.29Å; H842-H844 PolarHBondContact ND1-NE2 3.5Å; H842-H844 AromaticContact NE2-CE1 3.51Å; H842-H844 AromaticContact NE2-NE2 3.55Å
843	Y	98.5	Very high	94.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	128.5	-178.5	-57.4	-91	0	0	0	108.8	Y750 I788 V789 V790 D825 F826 I828 S841 T861 Y877 P878	Y750-Y843 HydrophobicContact CE1-CD1 4.36Å; Y750-Y843 HydrophobicContact CE1-CE1 4.48Å; I788-Y843 HydrophobicContact CG2-CD1 4.19Å; V789-Y843 WeakPolarHBondContact O-CA 3.21Å; V790-Y843 HydrophobicContact CB-CD1 4.49Å; V790-Y843 HydrophobicContact CB-CE1 4.46Å; V790-Y843 HydrophobicContact CG1-CD1 4.25Å; V790-Y843 HydrophobicContact CG1-CE1 3.87Å; V790-Y843 HydrophobicContact CG2-CD1 3.83Å; V790-Y843 HydrophobicContact CG2-CE1 3.86Å; D825-Y843 CarbonylContact C-O 3.6Å; D825-Y843 WeakPolarHBondContact CA-O 3.5Å; D825-Y843 VanDerWaalsContact CB-O 3.32Å; D825-Y843 WeakPolarHBondContact CB-O 3.34Å; F826-Y843 AromaticContact CD2-CD2 3.72Å; F826-Y843 HydrophobicContact CD2-CD2 3.72Å; F826-Y843 HydrophobicContact CD2-CG 4.21Å; F826-Y843 AromaticContact CE2-CD2 3.4Å; F826-Y843 HydrophobicContact CE2-CD2 3.4Å; F826-Y843 VanDerWaalsContact CE2-CD2 3.4Å; F826-Y843 HydrophobicContact CE2-CE2 4.2Å; F826-Y843 AromaticContact CE2-CG 3.61Å; F826-Y843 HydrophobicContact CE2-CG 3.61Å; F826-Y843 HydrophobicContact CZ-CD2 4.22Å; F826-Y843 AromaticContact CZ-CG 3.96Å; F826-Y843 HydrophobicContact CZ-CG 3.96Å; F826-Y843 PolarHBondContact N-O 2.73Å; F826-Y843 PolarHBondContact O-N 3.18Å; I828-Y843 HydrophobicContact CB-CE2 3.95Å; I828-Y843 HydrophobicContact CD1-CE2 4.36Å; I828-Y843 HydrophobicContact CG1-CD2 4.26Å; I828-Y843 HydrophobicContact CG1-CE2 3.95Å; S841-Y843 WeakPolarHBondContact O-CD2 3.37Å; S841-Y843 VanDerWaalsContact O-CE2 3.31Å; S841-Y843 WeakPolarHBondContact O-CE2 3.37Å; Y843-T861 HydrophobicContact CD1-CG2 3.81Å; Y843-T861 HydrophobicContact CE1-CG2 3.41Å; Y843-T861 VanDerWaalsContact CE1-CG2 3.41Å; Y843-T861 HydrophobicContact CE2-CG2 4.18Å; Y843-T861 HydrophobicContact CG-CG2 4.36Å; Y843-Y877 WeakPolarHBondContact OH-CA 3.12Å; Y843-P878 HydrophobicContact CE1-CG 4.15Å; Y843-P878 WeakPolarHBondContact OH-CD 3.36Å
844	H	97.6	Very high	95.1	Very high	7 Å²	7	36 Å²	36	3%	0.032	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	118.4	172.4	-60.6	-101.2	0	0	0	108.9	F759 I788 V789 H842 L846	F759-H844 HydrophobicContact CE2-CB 4.12Å; F759-H844 AromaticContact CE2-CG 3.82Å; F759-H844 AromaticContact CE2-ND1 3.79Å; F759-H844 HydrophobicContact CZ-CB 4.3Å; F759-H844 AromaticContact CZ-CD2 3.83Å; F759-H844 AromaticContact CZ-CG 3.9Å; I788-H844 CarbonylContact C-O 3.6Å; I788-H844 VanDerWaalsContact CA-O 3.31Å; I788-H844 WeakPolarHBondContact CA-O 3.45Å; V789-H844 PolarHBondContact N-O 3.33Å; V789-H844 PolarHBondContact O-N 3.29Å; H842-H844 AromaticContact CD2-NE2 3.87Å; H842-H844 AromaticContact CE1-CE1 3.2Å; H842-H844 PolarHBondContact CE1-CE1 3.31Å; H842-H844 AromaticContact CE1-NE2 3.15Å; H842-H844 PolarHBondContact CE1-NE2 2.94Å; H842-H844 AromaticContact CG-NE2 3.7Å; H842-H844 AromaticContact ND1-CE1 3.83Å; H842-H844 AromaticContact ND1-NE2 3.29Å; H842-H844 PolarHBondContact ND1-NE2 3.5Å; H842-H844 AromaticContact NE2-CE1 3.51Å; H842-H844 AromaticContact NE2-NE2 3.55Å; H844-L846 HydrophobicContact CB-CD2 4.09Å; H844-L846 PolarHBondContact O-N 3.2Å
845	V	97.6	Very high	95.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	110.3	172	-173.2	0	0	0	0	107.5	P112 T786 I788 F824 F826 D848 L857	P112-V845 WeakPolarHBondContact CD-O 3.36Å; P112-V845 HydrophobicContact CG-CB 4.42Å; P112-V845 HydrophobicContact CG-CG1 4.05Å; P112-V845 VanDerWaalsContact CG-O 3.27Å; P112-V845 WeakPolarHBondContact CG-O 3.42Å; T786-V845 HydrophobicContact CG2-CG1 4.23Å; I788-V845 HydrophobicContact CG1-CG2 4.38Å; F824-V845 HydrophobicContact CB-CB 4.07Å; F824-V845 HydrophobicContact CB-CG2 4.26Å; F824-V845 HydrophobicContact CD1-CB 3.98Å; F824-V845 HydrophobicContact CD1-CG1 4.25Å; F824-V845 HydrophobicContact CD1-CG2 3.65Å; F824-V845 HydrophobicContact CD2-CG2 4.4Å; F824-V845 HydrophobicContact CE1-CG2 4.03Å; F824-V845 HydrophobicContact CG-CB 4.16Å; F824-V845 HydrophobicContact CG-CG2 3.85Å; F824-V845 WeakPolarHBondContact O-CB 3.5Å; F824-V845 WeakPolarHBondContact O-CG2 3.48Å; F824-V845 PolarHBondContact O-N 3.24Å; F826-V845 HydrophobicContact CE1-CG2 4.39Å; V845-D848 HydrophobicContact CG1-CB 3.96Å; V845-L857 HydrophobicContact CG2-CD2 3.49Å; V845-L857 VanDerWaalsContact CG2-CD2 3.49Å
846	L	96.1	Very high	96	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-21.2	-179.4	-59	-169.6	0	0	0	112.3	I111 P112 F759 L763 F787 V789 H844	I111-L846 HydrophobicContact CD1-CD2 4.37Å; P112-L846 VanDerWaalsContact CD-C 3.44Å; P112-L846 WeakPolarHBondContact CD-O 3.44Å; F759-L846 HydrophobicContact CB-CD1 3.89Å; F759-L846 HydrophobicContact CB-CD2 4.21Å; F759-L846 HydrophobicContact CD1-CD1 4.24Å; F759-L846 HydrophobicContact CD2-CD1 4.47Å; F759-L846 HydrophobicContact CD2-CD2 3.63Å; F759-L846 HydrophobicContact CE2-CD2 4.11Å; F759-L846 HydrophobicContact CG-CD1 3.97Å; F759-L846 HydrophobicContact CG-CD2 3.97Å; L763-L846 HydrophobicContact CB-CD1 4.44Å; L763-L846 HydrophobicContact CD1-CB 4.05Å; L763-L846 HydrophobicContact CD2-CB 4.17Å; L763-L846 WeakPolarHBondContact CD2-O 3.3Å; F787-L846 HydrophobicContact CD1-CB 4.2Å; F787-L846 HydrophobicContact CD1-CD1 4.28Å; F787-L846 HydrophobicContact CE1-CD1 4.32Å; F787-L846 PolarHBondContact O-N 2.54Å; V789-L846 HydrophobicContact CB-CD1 4.46Å; V789-L846 HydrophobicContact CG2-CD1 3.48Å; V789-L846 VanDerWaalsContact CG2-CD1 3.48Å; V789-L846 HydrophobicContact CG2-CG 4.09Å; H844-L846 HydrophobicContact CB-CD2 4.09Å; H844-L846 PolarHBondContact O-N 3.2Å
847	Y	96.6	Very high	96.2	Very high	47 Å²	47	27.3 Å²	27.3	18%	0.184	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	140.8	178.5	-174.4	-94.5	0	0	0	110.3	L767 I785 T786 F787 D849	L767-Y847 HydrophobicContact CD1-CD1 3.95Å; L767-Y847 HydrophobicContact CD1-CE1 4.07Å; L767-Y847 HydrophobicContact CD1-CG 4.41Å; L767-Y847 HydrophobicContact CD2-CD1 4.05Å; L767-Y847 HydrophobicContact CD2-CD2 3.63Å; L767-Y847 HydrophobicContact CD2-CE1 4.12Å; L767-Y847 HydrophobicContact CD2-CE2 3.7Å; L767-Y847 HydrophobicContact CD2-CG 3.79Å; I785-Y847 HydrophobicContact CB-CD1 4.33Å; I785-Y847 HydrophobicContact CB-CE1 4.15Å; I785-Y847 HydrophobicContact CG2-CD1 4.31Å; I785-Y847 WeakPolarHBondContact O-CD1 3.42Å; T786-Y847 CarbonylContact C-O 3.53Å; T786-Y847 WeakPolarHBondContact CA-O 3.21Å; F787-Y847 PolarHBondContact N-O 3.22Å; F787-Y847 PolarHBondContact O-N 2.65Å; Y847-D849 HydrophobicContact CE1-CB 4.25Å; Y847-D849 WeakPolarHBondContact CE1-OD1 3.48Å; Y847-D849 WeakPolarHBondContact CE1-OD2 3.42Å; Y847-D849 VanDerWaalsContact CZ-CG 3.43Å; Y847-D849 PolarHBondContact OH-OD1 3.38Å; Y847-D849 PolarHBondContact OH-OD2 3.11Å
848	D	96.3	Very high	96.4	Very high	32 Å²	32	26.8 Å²	26.8	17%	0.171	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	109.1	176.4	-173.6	33.2	0	0	0	112.8	I785 T786 V845 S850 N851 F852	I785-D848 WeakPolarHBondContact O-CA 3.43Å; T786-D848 HydrophobicContact CG2-CB 4.17Å; T786-D848 WeakPolarHBondContact CG2-OD1 3.3Å; T786-D848 PolarHBondContact OG1-OD1 2.84Å; V845-D848 HydrophobicContact CG1-CB 3.96Å; D848-S850 WeakPolarHBondContact OD1-CB 3.16Å; D848-S850 PolarHBondContact OD1-N 3.04Å; D848-N851 PolarHBondContact OD2-N 2.69Å; D848-F852 PolarHBondContact OD2-N 2.55Å
849	D	95.1	Very high	96.5	Very high	70 Å²	70	28.4 Å²	28.4	37%	0.374	15%	0.15	S	C	.	.	S	Bend	trans	-96.9	-7	168	-68.8	-21.2	0	0	0	112.4	A784 I785 Y847 N851	A784-D849 HydrophobicContact CB-CB 4.09Å; I785-D849 PolarHBondContact O-N 3.08Å; Y847-D849 HydrophobicContact CE1-CB 4.25Å; Y847-D849 WeakPolarHBondContact CE1-OD1 3.48Å; Y847-D849 WeakPolarHBondContact CE1-OD2 3.42Å; Y847-D849 VanDerWaalsContact CZ-CG 3.43Å; Y847-D849 PolarHBondContact OH-OD1 3.38Å; Y847-D849 PolarHBondContact OH-OD2 3.11Å; D849-N851 PolarHBondContact O-N 2.83Å; D849-N851 PolarHBondContact O-ND2 3.39Å
850	S	93.3	Very high	96.6	Very high	14 Å²	14	24.4 Å²	24.4	10%	0.098	13%	0.133	C	C	.	.	S	Bend	trans	-79.3	-7.3	-179.2	-60	0	0	0	0	112.5	T786 D848 F852	T786-S850 WeakPolarHBondContact OG1-CB 3.38Å; T786-S850 PolarHBondContact OG1-OG 3.25Å; D848-S850 WeakPolarHBondContact OD1-CB 3.16Å; D848-S850 PolarHBondContact OD1-N 3.04Å; S850-F852 VanDerWaalsContact C-N 3.31Å; S850-F852 PolarHBondContact O-N 2.79Å
851	N	90.2	Very high	96.6	Very high	142 Å²	142	24.3 Å²	24.3	76%	0.759	13%	0.132	S	C	*	.			trans	51.9	47.9	-176.6	-61.3	-65	0	0	0	112	D848 D849	D848-N851 PolarHBondContact OD2-N 2.69Å; D849-N851 PolarHBondContact O-N 2.83Å; D849-N851 PolarHBondContact O-ND2 3.39Å
852	F	94.5	Very high	96.6	Very high	7 Å²	7	24.2 Å²	24.2	3%	0.031	13%	0.131	C	C	.	.			trans	-65.5	143.4	177.1	-81.4	-71.7	0	0	0	110.9	P115 I748 T786 D848 S850 L857	P115-F852 WeakPolarHBondContact CB-O 3.44Å; P115-F852 VanDerWaalsContact CG-O 3.23Å; P115-F852 WeakPolarHBondContact CG-O 3.26Å; I748-F852 HydrophobicContact CD1-CE2 4.01Å; I748-F852 HydrophobicContact CD1-CZ 3.75Å; I748-F852 HydrophobicContact CG1-CE2 4.29Å; I748-F852 HydrophobicContact CG1-CZ 4.48Å; T786-F852 HydrophobicContact CG2-CD2 4.11Å; T786-F852 HydrophobicContact CG2-CE2 4.32Å; T786-F852 WeakPolarHBondContact OG1-CE2 3.47Å; D848-F852 PolarHBondContact OD2-N 2.55Å; S850-F852 VanDerWaalsContact C-N 3.31Å; S850-F852 PolarHBondContact O-N 2.79Å; F852-L857 HydrophobicContact CB-CB 3.85Å; F852-L857 HydrophobicContact CD1-CB 4.14Å; F852-L857 HydrophobicContact CD1-CD1 4.48Å; F852-L857 HydrophobicContact CD2-CD1 4.06Å; F852-L857 HydrophobicContact CE2-CD1 4.24Å; F852-L857 HydrophobicContact CG-CB 3.97Å; F852-L857 HydrophobicContact CG-CD1 4.21Å
853	T	96.6	Very high	96.6	Very high	67 Å²	67	24.3 Å²	24.3	41%	0.411	13%	0.132	S	C	.	.			trans	-81.7	162.4	161.5	64.9	0	0	0	0	110.2	D855 S856 L857	T853-D855 VanDerWaalsContact C-N 3.26Å; T853-D855 PolarHBondContact O-N 3.21Å; T853-S856 PolarHBondContact N-OG 2.84Å; T853-S856 PolarHBondContact O-N 3.15Å; T853-S856 PolarHBondContact O-OG 2.79Å; T853-S856 VanDerWaalsContact O-OG 3.08Å; T853-S856 WeakPolarHBondContact OG1-CB 3.27Å; T853-S856 PolarHBondContact OG1-N 2.84Å; T853-S856 VanDerWaalsContact OG1-N 3.15Å; T853-S856 PolarHBondContact OG1-OG 3.2Å; T853-L857 PolarHBondContact O-N 3.42Å; T853-L857 VanDerWaalsContact O-N 3.14Å
854	S	97.2	Very high	96.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-52.9	-48.2	173.8	-72.5	0	0	0	0	111.2	D116 Q858	D116-S854 WeakPolarHBondContact OD1-CB 3.31Å; D116-S854 PolarHBondContact OD1-OG 2.89Å; D116-S854 WeakPolarHBondContact OD2-CB 3.47Å; D116-S854 PolarHBondContact OD2-N 2.92Å; D116-S854 PolarHBondContact OD2-OG 3.36Å; S854-Q858 WeakPolarHBondContact O-CB 3.48Å; S854-Q858 WeakPolarHBondContact O-CG 3.36Å; S854-Q858 PolarHBondContact O-N 3.05Å; S854-Q858 PolarHBondContact O-OE1 3.42Å
855	D	97.4	Very high	96.7	Very high	24 Å²	24	24 Å²	24	13%	0.128	13%	0.13	C	C	.	.	H	α-helix	trans	-65.1	-44.3	-177.8	-79.6	-36.1	0	0	0	113.6	G119 K120 L121 R495 T853 M859	G119-D855 WeakPolarHBondContact CA-OD1 3.47Å; K120-D855 PolarHBondContact N-OD1 2.84Å; K120-D855 PolarHBondContact N-OD2 2.96Å; L121-D855 HydrophobicContact CB-CB 4.24Å; L121-D855 HydrophobicContact CD1-CB 3.81Å; L121-D855 HydrophobicContact CG-CB 3.88Å; L121-D855 VanDerWaalsContact N-CG 3.34Å; L121-D855 PolarHBondContact N-OD1 3.06Å; L121-D855 PolarHBondContact N-OD2 2.79Å; R495-D855 IonicContact CZ-OD1 2.74Å; R495-D855 IonicContact NH1-OD1 2.73Å; R495-D855 PolarHBondContact NH1-OD1 3.47Å; R495-D855 IonicContact NH2-OD1 3.83Å; T853-D855 VanDerWaalsContact C-N 3.26Å; T853-D855 PolarHBondContact O-N 3.21Å; D855-M859 VanDerWaalsContact O-CB 3.22Å; D855-M859 WeakPolarHBondContact O-CB 3.27Å; D855-M859 VanDerWaalsContact O-CG 3.22Å; D855-M859 WeakPolarHBondContact O-CG 3.49Å; D855-M859 PolarHBondContact O-N 2.96Å
856	S	95.8	Very high	96.7	Very high	43 Å²	43	24 Å²	24	30%	0.301	13%	0.13	S	C	.	.	H	α-helix	trans	-66.8	-43.8	-177.3	53.4	0	0	0	0	111.9	T853 F860	T853-S856 PolarHBondContact N-OG 2.84Å; T853-S856 PolarHBondContact O-N 3.15Å; T853-S856 PolarHBondContact O-OG 2.79Å; T853-S856 VanDerWaalsContact O-OG 3.08Å; T853-S856 WeakPolarHBondContact OG1-CB 3.27Å; T853-S856 PolarHBondContact OG1-N 2.84Å; T853-S856 VanDerWaalsContact OG1-N 3.15Å; T853-S856 PolarHBondContact OG1-OG 3.2Å; S856-F860 VanDerWaalsContact O-CB 3.26Å; S856-F860 WeakPolarHBondContact O-CB 3.32Å; S856-F860 PolarHBondContact O-N 2.92Å
857	L	97.5	Very high	96.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-71.9	-40.4	178.9	-175.2	59.6	0	0	0	112.8	I788 F824 F826 V845 F852 T853 F860 T861	I788-L857 HydrophobicContact CD1-CD1 3.8Å; I788-L857 HydrophobicContact CD1-CD2 4.11Å; I788-L857 HydrophobicContact CD1-CG 4.38Å; F824-L857 HydrophobicContact CD1-CD2 4.45Å; F824-L857 HydrophobicContact CE1-CB 4.42Å; F824-L857 HydrophobicContact CE1-CD2 3.63Å; F824-L857 HydrophobicContact CZ-CB 4.07Å; F824-L857 HydrophobicContact CZ-CD2 3.77Å; F824-L857 HydrophobicContact CZ-CG 4.47Å; F826-L857 HydrophobicContact CE1-CD2 4.24Å; F826-L857 HydrophobicContact CE1-CG 4.49Å; F826-L857 HydrophobicContact CZ-CG 4.42Å; V845-L857 HydrophobicContact CG2-CD2 3.49Å; V845-L857 VanDerWaalsContact CG2-CD2 3.49Å; F852-L857 HydrophobicContact CB-CB 3.85Å; F852-L857 HydrophobicContact CD1-CB 4.14Å; F852-L857 HydrophobicContact CD1-CD1 4.48Å; F852-L857 HydrophobicContact CD2-CD1 4.06Å; F852-L857 HydrophobicContact CE2-CD1 4.24Å; F852-L857 HydrophobicContact CG-CB 3.97Å; F852-L857 HydrophobicContact CG-CD1 4.21Å; T853-L857 PolarHBondContact O-N 3.42Å; T853-L857 VanDerWaalsContact O-N 3.14Å; L857-F860 PolarHBondContact O-N 2.82Å; L857-T861 VanDerWaalsContact O-CB 3.24Å; L857-T861 WeakPolarHBondContact O-CB 3.42Å; L857-T861 PolarHBondContact O-N 2.85Å; L857-T861 PolarHBondContact O-OG1 3.43Å
858	Q	98.4	Very high	96.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.2	-43.6	178.1	-70.3	164.4	11.1	0	0	110.9	L497 V813 D815 F826 I828 S854 Y862	L497-Q858 HydrophobicContact CD1-CB 4.18Å; V813-Q858 HydrophobicContact CG2-CG 4.23Å; D815-Q858 PolarHBondContact OD2-NE2 2.9Å; F826-Q858 HydrophobicContact CD1-CG 4.05Å; F826-Q858 HydrophobicContact CD2-CG 3.84Å; F826-Q858 HydrophobicContact CE1-CG 4.14Å; F826-Q858 HydrophobicContact CE2-CG 3.94Å; F826-Q858 HydrophobicContact CG-CG 3.9Å; F826-Q858 HydrophobicContact CZ-CG 4.08Å; I828-Q858 HydrophobicContact CD1-CB 4.31Å; S854-Q858 WeakPolarHBondContact O-CB 3.48Å; S854-Q858 WeakPolarHBondContact O-CG 3.36Å; S854-Q858 PolarHBondContact O-N 3.05Å; S854-Q858 PolarHBondContact O-OE1 3.42Å; Q858-Y862 VanDerWaalsContact O-CB 3.31Å; Q858-Y862 WeakPolarHBondContact O-CB 3.33Å; Q858-Y862 PolarHBondContact O-N 3.27Å
859	M	97.5	Very high	96.7	Very high	38 Å²	38	20.2 Å²	20.2	19%	0.187	11%	0.113	C	C	.	.	H	α-helix	trans	-62.9	-48.1	174.4	-77	-67.6	-70.9	0	0	111.8	L497 D855 T861 Y862 H863	L497-M859 HydrophobicContact CB-SD 3.73Å; L497-M859 HydrophobicContact CD1-SD 4.04Å; L497-M859 HydrophobicContact CD2-CG 4.35Å; L497-M859 HydrophobicContact CD2-SD 3.78Å; L497-M859 HydrophobicContact CG-SD 4.04Å; D855-M859 VanDerWaalsContact O-CB 3.22Å; D855-M859 WeakPolarHBondContact O-CB 3.27Å; D855-M859 VanDerWaalsContact O-CG 3.22Å; D855-M859 WeakPolarHBondContact O-CG 3.49Å; D855-M859 PolarHBondContact O-N 2.96Å; M859-T861 VanDerWaalsContact C-N 3.35Å; M859-T861 PolarHBondContact O-N 2.8Å; M859-Y862 PolarHBondContact O-N 2.93Å; M859-H863 VanDerWaalsContact CE-CE1 3.4Å; M859-H863 WeakPolarHBondContact CE-CE1 3.46Å; M859-H863 VanDerWaalsContact CE-NE2 3.32Å; M859-H863 WeakPolarHBondContact CE-NE2 3.33Å; M859-H863 WeakPolarHBondContact O-CB 3.43Å; M859-H863 VanDerWaalsContact O-CG 3.27Å; M859-H863 PolarHBondContact O-N 3.34Å
860	F	97.8	Very high	96.6	Very high	6 Å²	6	18.9 Å²	18.9	3%	0.026	10%	0.103	C	C	.	.	H	α-helix	trans	-58.9	-46.3	178.2	-175.2	-95.4	0	0	0	111.8	L656 Y659 I664 V666 L697 I748 S856 L857 Y862 H863 L864	L656-F860 HydrophobicContact CB-CE2 4.38Å; L656-F860 HydrophobicContact CD2-CD2 3.79Å; L656-F860 HydrophobicContact CD2-CE2 3.8Å; L656-F860 HydrophobicContact CD2-CG 4.37Å; L656-F860 HydrophobicContact CD2-CZ 4.38Å; L656-F860 WeakPolarHBondContact O-CE2 3.12Å; Y659-F860 AromaticContact CE1-CD2 3.69Å; Y659-F860 HydrophobicContact CE1-CD2 3.69Å; Y659-F860 AromaticContact CE1-CE2 3.98Å; Y659-F860 HydrophobicContact CE1-CE2 3.98Å; Y659-F860 AromaticContact CZ-CD2 3.98Å; Y659-F860 WeakPolarHBondContact OH-CD2 3.4Å; I664-F860 HydrophobicContact CD1-CE2 4.46Å; I664-F860 HydrophobicContact CG2-CZ 4.34Å; V666-F860 HydrophobicContact CG2-CE1 4.01Å; V666-F860 HydrophobicContact CG2-CZ 3.77Å; L697-F860 HydrophobicContact CD1-CE2 4.17Å; L697-F860 HydrophobicContact CD1-CZ 3.92Å; I748-F860 HydrophobicContact CD1-CD1 3.87Å; I748-F860 HydrophobicContact CD1-CE1 3.28Å; I748-F860 HydrophobicContact CD1-CZ 3.7Å; S856-F860 VanDerWaalsContact O-CB 3.26Å; S856-F860 WeakPolarHBondContact O-CB 3.32Å; S856-F860 PolarHBondContact O-N 2.92Å; L857-F860 PolarHBondContact O-N 2.82Å; F860-Y862 VanDerWaalsContact C-N 3.35Å; F860-Y862 PolarHBondContact O-N 2.84Å; F860-H863 PolarHBondContact O-N 2.93Å; F860-L864 HydrophobicContact CD1-CD1 3.8Å; F860-L864 HydrophobicContact CD1-CG 4.29Å; F860-L864 HydrophobicContact CE1-CD1 3.37Å; F860-L864 HydrophobicContact CE1-CG 3.98Å; F860-L864 HydrophobicContact CZ-CD1 4.11Å; F860-L864 HydrophobicContact CZ-CG 4.34Å; F860-L864 WeakPolarHBondContact O-CG 3.22Å; F860-L864 PolarHBondContact O-N 3.02Å
861	T	98.5	Very high	96.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.2	-42.6	176.6	-59.8	0	0	0	0	111.6	Y750 F826 I828 Y843 L857 M859 C865 P878	Y750-T861 HydrophobicContact CE1-CG2 3.97Å; Y750-T861 PolarHBondContact OH-OG1 3.02Å; F826-T861 HydrophobicContact CE2-CG2 4.43Å; I828-T861 HydrophobicContact CD1-CG2 4.4Å; Y843-T861 HydrophobicContact CD1-CG2 3.81Å; Y843-T861 HydrophobicContact CE1-CG2 3.41Å; Y843-T861 VanDerWaalsContact CE1-CG2 3.41Å; Y843-T861 HydrophobicContact CE2-CG2 4.18Å; Y843-T861 HydrophobicContact CG-CG2 4.36Å; L857-T861 VanDerWaalsContact O-CB 3.24Å; L857-T861 WeakPolarHBondContact O-CB 3.42Å; L857-T861 PolarHBondContact O-N 2.85Å; L857-T861 PolarHBondContact O-OG1 3.43Å; M859-T861 VanDerWaalsContact C-N 3.35Å; M859-T861 PolarHBondContact O-N 2.8Å; T861-C865 PolarHBondContact O-SG 2.92Å; T861-P878 HydrophobicContact CG2-CG 3.83Å
862	Y	98.5	Very high	96.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-65.6	-45	176.5	177.5	-132.8	0	0	0	112	L497 P810 G811 I828 Q858 M859 F860 L864 C865 Y866	L497-Y862 HydrophobicContact CB-CD1 3.65Å; L497-Y862 HydrophobicContact CB-CE1 3.9Å; L497-Y862 HydrophobicContact CB-CG 4.46Å; L497-Y862 HydrophobicContact CD1-CD1 4.22Å; L497-Y862 HydrophobicContact CD1-CG 4.33Å; P810-Y862 VanDerWaalsContact C-OH 3.29Å; P810-Y862 PolarHBondContact O-OH 2.84Å; P810-Y862 VanDerWaalsContact O-OH 3.09Å; G811-Y862 PolarHBondContact N-OH 3.31Å; I828-Y862 HydrophobicContact CG2-CD2 4.29Å; Q858-Y862 VanDerWaalsContact O-CB 3.31Å; Q858-Y862 WeakPolarHBondContact O-CB 3.33Å; Q858-Y862 PolarHBondContact O-N 3.27Å; M859-Y862 PolarHBondContact O-N 2.93Å; F860-Y862 VanDerWaalsContact C-N 3.35Å; F860-Y862 PolarHBondContact O-N 2.84Å; Y862-L864 VanDerWaalsContact C-N 3.33Å; Y862-L864 PolarHBondContact O-N 3.01Å; Y862-C865 WeakPolarHBondContact O-CB 3.21Å; Y862-C865 PolarHBondContact O-N 3.39Å; Y862-Y866 HydrophobicContact CD2-CE2 4.27Å; Y862-Y866 HydrophobicContact CE1-CE2 4.18Å; Y862-Y866 AromaticContact CE2-CE2 3.67Å; Y862-Y866 HydrophobicContact CE2-CE2 3.67Å; Y862-Y866 AromaticContact CZ-CE2 3.63Å; Y862-Y866 PolarHBondContact OH-OH 3.17Å; Y862-Y866 VanDerWaalsContact OH-OH 3.05Å
863	H	98.4	Very high	97	Very high	11 Å²	11	17.3 Å²	17.3	5%	0.051	9%	0.091	C	C	.	.	H	α-helix	trans	-66	-32.8	178.8	-70	-178.8	0	0	0	112.6	Q498 P500 V653 D655 L656 M859 F860 C865 Y866	Q498-H863 PolarHBondContact O-NE2 2.94Å; P500-H863 HydrophobicContact CB-CB 4.35Å; P500-H863 HydrophobicContact CG-CB 4.44Å; V653-H863 HydrophobicContact CG1-CB 4.38Å; D655-H863 WeakPolarHBondContact CB-ND1 3.44Å; L656-H863 HydrophobicContact CD2-CB 3.58Å; L656-H863 HydrophobicContact CG-CB 4.13Å; M859-H863 VanDerWaalsContact CE-CE1 3.4Å; M859-H863 WeakPolarHBondContact CE-CE1 3.46Å; M859-H863 VanDerWaalsContact CE-NE2 3.32Å; M859-H863 WeakPolarHBondContact CE-NE2 3.33Å; M859-H863 WeakPolarHBondContact O-CB 3.43Å; M859-H863 VanDerWaalsContact O-CG 3.27Å; M859-H863 PolarHBondContact O-N 3.34Å; F860-H863 PolarHBondContact O-N 2.93Å; H863-C865 PolarHBondContact O-N 2.71Å; H863-Y866 WeakPolarHBondContact O-CB 3.13Å; H863-Y866 PolarHBondContact O-N 2.98Å
864	L	98.3	Very high	97.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.4	-20.9	171.6	-80.8	176.5	0	0	0	113.1	L656 V666 Y750 F860 Y862 Y866 A867 P878 A879	L656-L864 HydrophobicContact CD1-CD2 3.85Å; L656-L864 HydrophobicContact CD1-CG 4.5Å; L656-L864 HydrophobicContact CD2-CD2 4.02Å; L656-L864 HydrophobicContact CD2-CG 3.85Å; V666-L864 HydrophobicContact CG1-CD1 3.92Å; V666-L864 HydrophobicContact CG2-CD1 4.47Å; Y750-L864 HydrophobicContact CE2-CD1 3.56Å; F860-L864 HydrophobicContact CD1-CD1 3.8Å; F860-L864 HydrophobicContact CD1-CG 4.29Å; F860-L864 HydrophobicContact CE1-CD1 3.37Å; F860-L864 HydrophobicContact CE1-CG 3.98Å; F860-L864 HydrophobicContact CZ-CD1 4.11Å; F860-L864 HydrophobicContact CZ-CG 4.34Å; F860-L864 WeakPolarHBondContact O-CG 3.22Å; F860-L864 PolarHBondContact O-N 3.02Å; Y862-L864 VanDerWaalsContact C-N 3.33Å; Y862-L864 PolarHBondContact O-N 3.01Å; L864-Y866 PolarHBondContact O-N 3.19Å; L864-A867 PolarHBondContact O-N 3.22Å; L864-P878 HydrophobicContact CB-CB 3.95Å; L864-P878 HydrophobicContact CB-CG 4.43Å; L864-P878 HydrophobicContact CD1-CB 4.34Å; L864-A879 WeakPolarHBondContact O-CB 3.47Å; L864-A879 PolarHBondContact O-N 2.99Å; L864-A879 VanDerWaalsContact O-N 3.14Å
865	C	98.4	Very high	97.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-16.1	173.1	-57.4	0	0	0	0	112.4	S830 T861 Y862 H863 S874 V875	S830-C865 VanDerWaalsContact CB-SG 3.52Å; S830-C865 PolarHBondContact OG-SG 2.66Å; S830-C865 VanDerWaalsContact OG-SG 3.36Å; T861-C865 PolarHBondContact O-SG 2.92Å; Y862-C865 WeakPolarHBondContact O-CB 3.21Å; Y862-C865 PolarHBondContact O-N 3.39Å; H863-C865 PolarHBondContact O-N 2.71Å; C865-S874 WeakPolarHBondContact CB-OG 3.48Å; C865-S874 WeakPolarHBondContact O-CA 3.46Å; C865-V875 HydrophobicContact CB-CG2 4.25Å; C865-V875 WeakPolarHBondContact CB-O 3.28Å; C865-V875 VanDerWaalsContact O-CG2 3.3Å; C865-V875 WeakPolarHBondContact O-CG2 3.45Å; C865-V875 PolarHBondContact O-N 3.16Å; C865-V875 VanDerWaalsContact O-N 3.09Å
866	Y	98.2	Very high	97	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-9.7	174.2	-72.3	-104.1	0	0	0	113.3	P499 P500 L512 K513 A514 G515 W517 W651 Y862 H863 L864 Y868 S874	P499-Y866 HydrophobicContact CB-CE1 4.37Å; P500-Y866 HydrophobicContact CG-CD1 3.89Å; P500-Y866 HydrophobicContact CG-CD2 3.78Å; P500-Y866 HydrophobicContact CG-CE1 4.39Å; P500-Y866 HydrophobicContact CG-CE2 4.31Å; P500-Y866 HydrophobicContact CG-CG 3.55Å; L512-Y866 HydrophobicContact CB-CE1 4.25Å; L512-Y866 HydrophobicContact CD1-CD1 3.54Å; L512-Y866 HydrophobicContact CD1-CE1 4.07Å; K513-Y866 PolarHBondContact O-OH 3.36Å; A514-Y866 WeakPolarHBondContact CA-OH 3.23Å; G515-Y866 PolarHBondContact N-OH 3.22Å; G515-Y866 VanDerWaalsContact N-OH 3.17Å; W517-Y866 AromaticContact CE3-CD1 3.92Å; W517-Y866 HydrophobicContact CE3-CD1 3.92Å; W517-Y866 AromaticContact CE3-CE1 3.91Å; W517-Y866 HydrophobicContact CE3-CE1 3.91Å; W517-Y866 AromaticContact CH2-CD1 3.54Å; W517-Y866 HydrophobicContact CH2-CD1 3.54Å; W517-Y866 HydrophobicContact CH2-CE1 4.26Å; W517-Y866 HydrophobicContact CH2-CG 4.22Å; W517-Y866 HydrophobicContact CZ2-CD1 4.44Å; W517-Y866 AromaticContact CZ3-CD1 3.2Å; W517-Y866 HydrophobicContact CZ3-CD1 3.2Å; W517-Y866 AromaticContact CZ3-CE1 3.45Å; W517-Y866 HydrophobicContact CZ3-CE1 3.45Å; W517-Y866 VanDerWaalsContact CZ3-CE1 3.45Å; W517-Y866 HydrophobicContact CZ3-CG 4.21Å; W651-Y866 PolarHBondContact NE1-O 3.49Å; Y862-Y866 HydrophobicContact CD2-CE2 4.27Å; Y862-Y866 HydrophobicContact CE1-CE2 4.18Å; Y862-Y866 AromaticContact CE2-CE2 3.67Å; Y862-Y866 HydrophobicContact CE2-CE2 3.67Å; Y862-Y866 AromaticContact CZ-CE2 3.63Å; Y862-Y866 PolarHBondContact OH-OH 3.17Å; Y862-Y866 VanDerWaalsContact OH-OH 3.05Å; H863-Y866 WeakPolarHBondContact O-CB 3.13Å; H863-Y866 PolarHBondContact O-N 2.98Å; L864-Y866 PolarHBondContact O-N 3.19Å; Y866-Y868 PolarHBondContact O-N 3.05Å; Y866-S874 WeakPolarHBondContact CE2-OG 3.25Å
867	A	97	Very high	97.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.061	C	C	.	.			trans	-79.4	3.8	177.8	0	0	0	0	0	113.7	L656 M698 L864 M869 A879 Y883	L656-A867 HydrophobicContact CD1-CB 4.42Å; M698-A867 HydrophobicContact CE-CB 4.1Å; M698-A867 HydrophobicContact SD-CB 3.88Å; L864-A867 PolarHBondContact O-N 3.22Å; A867-M869 PolarHBondContact O-N 3.41Å; A867-A879 HydrophobicContact CB-CB 4.09Å; A867-Y883 PolarHBondContact O-OH 2.77Å; A867-Y883 VanDerWaalsContact O-OH 3.13Å
868	Y	97	Very high	97.2	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.008	6%	0.061	C	C	.	.			trans	-81.1	107.6	-176.6	-175.8	-113.6	0	0	0	112.6	W651 Y866 R870 V875 A879 Y882 Y883 L886	W651-Y868 WeakPolarHBondContact CZ2-O 3.37Å; Y866-Y868 PolarHBondContact O-N 3.05Å; Y868-R870 VanDerWaalsContact C-N 3.33Å; Y868-R870 HydrophobicContact CD1-CB 4.23Å; Y868-R870 HydrophobicContact CE1-CB 3.64Å; Y868-R870 HydrophobicContact CE1-CG 4.28Å; Y868-R870 HydrophobicContact CE2-CB 4.33Å; Y868-R870 HydrophobicContact CE2-CG 4.07Å; Y868-R870 PolarHBondContact O-N 3.24Å; Y868-R870 VanDerWaalsContact OH-CD 3.31Å; Y868-R870 WeakPolarHBondContact OH-CD 3.43Å; Y868-R870 PolarHBondContact OH-NH1 3.16Å; Y868-V875 HydrophobicContact CD1-CG1 3.23Å; Y868-V875 HydrophobicContact CD2-CG1 4.45Å; Y868-V875 HydrophobicContact CE1-CG1 3.62Å; Y868-V875 HydrophobicContact CG-CG1 3.65Å; Y868-V875 HydrophobicContact CG-CG2 4.23Å; Y868-A879 HydrophobicContact CD2-CB 4.4Å; Y868-Y882 HydrophobicContact CE2-CG 4.34Å; Y868-Y883 WeakPolarHBondContact CA-OH 3.37Å; Y868-Y883 HydrophobicContact CD2-CD1 4.09Å; Y868-Y883 AromaticContact CD2-CE1 3.35Å; Y868-Y883 HydrophobicContact CD2-CE1 3.35Å; Y868-Y883 AromaticContact CD2-CZ 3.82Å; Y868-Y883 HydrophobicContact CE2-CD1 4.01Å; Y868-Y883 AromaticContact CE2-CE1 3.55Å; Y868-Y883 HydrophobicContact CE2-CE1 3.55Å; Y868-L886 HydrophobicContact CE2-CD1 4.34Å
869	M	94.5	Very high	97.2	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-9.5	-168.6	-71.9	-174	53.8	0	0	115.3	L640 G648 N650 M698 A867 C871 Y883 M921	L640-M869 CarbonylContact C-O 3.52Å; L640-M869 WeakPolarHBondContact CB-O 3.44Å; G648-M869 WeakPolarHBondContact O-CE 3.17Å; N650-M869 HydrophobicContact CB-CE 4.25Å; N650-M869 PolarHBondContact ND2-O 3.41Å; M698-M869 HydrophobicContact CE-CG 4.21Å; A867-M869 PolarHBondContact O-N 3.41Å; M869-C871 VanDerWaalsContact C-N 3.35Å; M869-C871 PolarHBondContact O-N 2.69Å; M869-Y883 PolarHBondContact N-OH 3.38Å; M869-M921 HydrophobicContact CE-CE 3.79Å; M869-M921 HydrophobicContact CG-CE 4.47Å; M869-M921 HydrophobicContact SD-CE 3.27Å; M869-M921 WeakPolarHBondContact SD-CE 3.09Å; M869-M921 HydrophobicContact SD-SD 4.36Å
870	R	94.3	Very high	97.2	Very high	42 Å²	42	10.8 Å²	10.8	16%	0.158	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-16.2	-173.9	-60	178.4	63.6	-150.2	21.8	113.9	K641 Y868 L924	K641-R870 HydrophobicContact CG-CB 4.07Å; K641-R870 HydrophobicContact CG-CG 4.15Å; Y868-R870 VanDerWaalsContact C-N 3.33Å; Y868-R870 HydrophobicContact CD1-CB 4.23Å; Y868-R870 HydrophobicContact CE1-CB 3.64Å; Y868-R870 HydrophobicContact CE1-CG 4.28Å; Y868-R870 HydrophobicContact CE2-CB 4.33Å; Y868-R870 HydrophobicContact CE2-CG 4.07Å; Y868-R870 PolarHBondContact O-N 3.24Å; Y868-R870 VanDerWaalsContact OH-CD 3.31Å; Y868-R870 WeakPolarHBondContact OH-CD 3.43Å; Y868-R870 PolarHBondContact OH-NH1 3.16Å; R870-L924 HydrophobicContact CG-CB 4.09Å; R870-L924 HydrophobicContact CG-CD2 3.7Å; R870-L924 HydrophobicContact CG-CG 4.29Å; R870-L924 PolarHBondContact NE-OXT 2.94Å; R870-L924 PolarHBondContact NH2-OXT 3.16Å
871	C	94.5	Very high	97.2	Very high	28 Å²	28	10.5 Å²	10.5	19%	0.189	5%	0.051	C	C	.	.	S	Bend	trans	-156	151.5	178.1	57	0	0	0	0	111	W651 M869 R873	W651-C871 WeakPolarHBondContact CH2-O 3.39Å; M869-C871 VanDerWaalsContact C-N 3.35Å; M869-C871 PolarHBondContact O-N 2.69Å; C871-R873 PolarHBondContact O-N 3.43Å
872	S	95.2	Very high	97.2	Very high	19 Å²	19	11.6 Å²	11.6	13%	0.133	6%	0.055	C	C	.	.	S	Bend	trans	-79.3	51	175	-43.5	0	0	0	0	111.7	W517 T519	W517-S872 PolarHBondContact N-O 3.41Å; W517-S872 WeakPolarHBondContact O-CB 3.41Å; T519-S872 PolarHBondContact OG1-OG 3.41Å
873	R	96.1	Very high	97.1	Very high	84 Å²	84	11.6 Å²	11.6	32%	0.317	6%	0.055	S	C	.	.	B	Isolated β-bridge	trans	-142.5	143.8	-177.4	-66.6	-174.9	170.6	-92.3	-3.4	110	G515 E832 C871	G515-R873 CarbonylContact O-C 3.33Å; G515-R873 VanDerWaalsContact O-CA 3.24Å; G515-R873 WeakPolarHBondContact O-CA 3.3Å; G515-R873 WeakPolarHBondContact O-CB 3.48Å; E832-R873 IonicContact OE2-CZ 3.24Å; E832-R873 IonicContact OE2-NH1 3.46Å; E832-R873 PolarHBondContact OE2-NH1 3.38Å; C871-R873 PolarHBondContact O-N 3.43Å
874	S	97.6	Very high	97.1	Very high	5 Å²	5	11.1 Å²	11.1	4%	0.035	5%	0.053	C	C	.	.			trans	-71.2	131.9	170.7	-178.5	0	0	0	0	108.8	G515 S830 H831 C865 Y866	G515-S874 PolarHBondContact O-N 2.81Å; S830-S874 VanDerWaalsContact O-CB 3.25Å; S830-S874 WeakPolarHBondContact O-CB 3.45Å; S830-S874 PolarHBondContact O-OG 3.29Å; H831-S874 VanDerWaalsContact CB-O 3.23Å; H831-S874 WeakPolarHBondContact CB-O 3.38Å; C865-S874 WeakPolarHBondContact CB-OG 3.48Å; C865-S874 WeakPolarHBondContact O-CA 3.46Å; Y866-S874 WeakPolarHBondContact CE2-OG 3.25Å
875	V	97.3	Very high	97	Very high	9 Å²	9	13 Å²	13	6%	0.055	6%	0.062	C	C	.	.			trans	-89.3	167.9	179.1	-72.2	0	0	0	0	111.8	S830 C865 Y868 Y877 Y882	S830-V875 WeakPolarHBondContact CB-O 3.29Å; C865-V875 HydrophobicContact CB-CG2 4.25Å; C865-V875 WeakPolarHBondContact CB-O 3.28Å; C865-V875 VanDerWaalsContact O-CG2 3.3Å; C865-V875 WeakPolarHBondContact O-CG2 3.45Å; C865-V875 PolarHBondContact O-N 3.16Å; C865-V875 VanDerWaalsContact O-N 3.09Å; Y868-V875 HydrophobicContact CD1-CG1 3.23Å; Y868-V875 HydrophobicContact CD2-CG1 4.45Å; Y868-V875 HydrophobicContact CE1-CG1 3.62Å; Y868-V875 HydrophobicContact CG-CG1 3.65Å; Y868-V875 HydrophobicContact CG-CG2 4.23Å; V875-Y877 VanDerWaalsContact C-N 3.27Å; V875-Y877 WeakPolarHBondContact CG2-O 3.49Å; V875-Y877 PolarHBondContact O-N 3.18Å; V875-Y882 HydrophobicContact CB-CD2 3.82Å; V875-Y882 HydrophobicContact CB-CE2 3.52Å; V875-Y882 HydrophobicContact CG1-CD2 4.37Å; V875-Y882 HydrophobicContact CG1-CE2 4.21Å; V875-Y882 HydrophobicContact CG2-CD2 3.72Å; V875-Y882 HydrophobicContact CG2-CE2 3.9Å
876	S	96.6	Very high	96.9	Very high	15 Å²	15	14.4 Å²	14.4	11%	0.105	7%	0.069	C	C	.	.	S	Bend	trans	-71.3	-18.1	-172.5	56.2	0	0	0	0	115.2	H831 S841 Y882	H831-S876 WeakPolarHBondContact ND1-CA 3.38Å; H831-S876 VanDerWaalsContact ND1-CB 3.34Å; H831-S876 WeakPolarHBondContact ND1-CB 3.36Å; S841-S876 PolarHBondContact OG-O 3.29Å; S876-Y882 PolarHBondContact OG-OH 3.28Å
877	Y	98	Very high	96.8	Very high	6 Å²	6	14.4 Å²	14.4	2%	0.024	7%	0.069	C	C	.	.	S	Bend	trans	-154.8	164.5	-179.8	49.7	-97.5	0	0	0	109.2	K792 Y843 V875 V881 Y882	K792-Y877 HydrophobicContact CD-CE1 4.01Å; Y843-Y877 WeakPolarHBondContact OH-CA 3.12Å; V875-Y877 VanDerWaalsContact C-N 3.27Å; V875-Y877 WeakPolarHBondContact CG2-O 3.49Å; V875-Y877 PolarHBondContact O-N 3.18Å; Y877-V881 HydrophobicContact CD2-CB 3.84Å; Y877-V881 HydrophobicContact CD2-CG1 3.81Å; Y877-V881 HydrophobicContact CE2-CB 4.12Å; Y877-V881 HydrophobicContact CE2-CG1 3.81Å; Y877-Y882 HydrophobicContact CD1-CD2 4.38Å; Y877-Y882 AromaticContact CD1-CE2 3.63Å; Y877-Y882 HydrophobicContact CD1-CE2 3.63Å; Y877-Y882 AromaticContact CD2-CD2 3.32Å; Y877-Y882 HydrophobicContact CD2-CD2 3.32Å; Y877-Y882 AromaticContact CD2-CE2 3.45Å; Y877-Y882 HydrophobicContact CD2-CE2 3.45Å; Y877-Y882 VanDerWaalsContact CD2-CE2 3.45Å; Y877-Y882 HydrophobicContact CD2-CG 4.12Å; Y877-Y882 HydrophobicContact CE1-CD2 4.15Å; Y877-Y882 HydrophobicContact CE1-CE1 4.17Å; Y877-Y882 AromaticContact CE1-CE2 3.37Å; Y877-Y882 HydrophobicContact CE1-CE2 3.37Å; Y877-Y882 AromaticContact CE1-CZ 3.39Å; Y877-Y882 WeakPolarHBondContact CE1-OH 3.3Å; Y877-Y882 AromaticContact CE2-CD1 3.97Å; Y877-Y882 HydrophobicContact CE2-CD1 3.97Å; Y877-Y882 AromaticContact CE2-CD2 3.1Å; Y877-Y882 HydrophobicContact CE2-CD2 3.1Å; Y877-Y882 HydrophobicContact CE2-CE1 4.12Å; Y877-Y882 AromaticContact CE2-CE2 3.26Å; Y877-Y882 HydrophobicContact CE2-CE2 3.26Å; Y877-Y882 AromaticContact CE2-CG 3.48Å; Y877-Y882 HydrophobicContact CE2-CG 3.48Å; Y877-Y882 VanDerWaalsContact CE2-CG 3.48Å; Y877-Y882 AromaticContact CE2-CZ 3.79Å; Y877-Y882 AromaticContact CG-CD2 3.98Å; Y877-Y882 HydrophobicContact CG-CD2 3.98Å; Y877-Y882 AromaticContact CG-CE2 3.64Å; Y877-Y882 HydrophobicContact CG-CE2 3.64Å; Y877-Y882 AromaticContact CZ-CD1 3.87Å; Y877-Y882 AromaticContact CZ-CD2 3.54Å; Y877-Y882 AromaticContact CZ-CE1 3.59Å; Y877-Y882 AromaticContact CZ-CE2 3.18Å; Y877-Y882 AromaticContact CZ-CG 3.85Å; Y877-Y882 AromaticContact CZ-CZ 3.22Å; Y877-Y882 WeakPolarHBondContact O-CD2 3.22Å; Y877-Y882 WeakPolarHBondContact OH-CD1 3.34Å; Y877-Y882 WeakPolarHBondContact OH-CE1 3.48Å; Y877-Y882 VanDerWaalsContact OH-CZ 3.31Å
878	P	98.5	Very high	96.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.069	C	C	.	.			trans	-50	140.1	-171.1	-33.4	38.2	0	0	0	114.7	Y750 Y843 T861 L864 V881 Y882	Y750-P878 HydrophobicContact CD1-CG 4.02Å; Y750-P878 HydrophobicContact CE1-CG 3.82Å; Y750-P878 HydrophobicContact CE2-CG 4.48Å; Y750-P878 HydrophobicContact CG-CG 4.44Å; Y843-P878 HydrophobicContact CE1-CG 4.15Å; Y843-P878 WeakPolarHBondContact OH-CD 3.36Å; T861-P878 HydrophobicContact CG2-CG 3.83Å; L864-P878 HydrophobicContact CB-CB 3.95Å; L864-P878 HydrophobicContact CB-CG 4.43Å; L864-P878 HydrophobicContact CD1-CB 4.34Å; P878-V881 HydrophobicContact CB-CG2 4.39Å; P878-V881 WeakPolarHBondContact O-CB 3.14Å; P878-V881 PolarHBondContact O-N 3.02Å; P878-V881 VanDerWaalsContact O-N 3.11Å; P878-Y882 PolarHBondContact O-N 3.48Å
879	A	98.1	Very high	96.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-52.4	-41.6	-179.9	0	0	0	0	0	114.8	L864 A867 Y868 V881 Y882 Y883	L864-A879 WeakPolarHBondContact O-CB 3.47Å; L864-A879 PolarHBondContact O-N 2.99Å; L864-A879 VanDerWaalsContact O-N 3.14Å; A867-A879 HydrophobicContact CB-CB 4.09Å; Y868-A879 HydrophobicContact CD2-CB 4.4Å; A879-V881 VanDerWaalsContact C-N 3.26Å; A879-V881 PolarHBondContact O-N 3.19Å; A879-Y882 WeakPolarHBondContact O-CB 3.49Å; A879-Y882 PolarHBondContact O-N 3.1Å; A879-Y882 VanDerWaalsContact O-N 3.14Å; A879-Y883 HydrophobicContact CB-CD2 4.45Å; A879-Y883 HydrophobicContact CB-CE2 3.86Å; A879-Y883 WeakPolarHBondContact O-CD2 3.22Å; A879-Y883 PolarHBondContact O-N 2.77Å
880	P	98.1	Very high	96.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-57.2	-38.7	178.1	-20	27.8	0	0	0	113	V666 Y700 Y883 S884	V666-P880 HydrophobicContact CB-CG 4.46Å; V666-P880 HydrophobicContact CG1-CB 4.42Å; V666-P880 HydrophobicContact CG1-CG 3.71Å; Y700-P880 HydrophobicContact CD1-CB 4.46Å; Y700-P880 HydrophobicContact CE1-CB 3.87Å; Y700-P880 HydrophobicContact CE1-CG 3.6Å; P880-Y883 PolarHBondContact O-N 3.2Å; P880-S884 PolarHBondContact O-N 2.88Å
881	V	98.3	Very high	96.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-68.4	-44.4	178.2	-177.2	0	0	0	0	110.3	Y750 D752 V790 Y877 P878 A879 Y883 S884 H885	Y750-V881 HydrophobicContact CG-CG2 4.14Å; D752-V881 HydrophobicContact CB-CG1 3.61Å; V790-V881 HydrophobicContact CG2-CG2 4.3Å; Y877-V881 HydrophobicContact CD2-CB 3.84Å; Y877-V881 HydrophobicContact CD2-CG1 3.81Å; Y877-V881 HydrophobicContact CE2-CB 4.12Å; Y877-V881 HydrophobicContact CE2-CG1 3.81Å; P878-V881 HydrophobicContact CB-CG2 4.39Å; P878-V881 WeakPolarHBondContact O-CB 3.14Å; P878-V881 PolarHBondContact O-N 3.02Å; P878-V881 VanDerWaalsContact O-N 3.11Å; A879-V881 VanDerWaalsContact C-N 3.26Å; A879-V881 PolarHBondContact O-N 3.19Å; V881-Y883 VanDerWaalsContact C-N 3.25Å; V881-Y883 PolarHBondContact O-N 3.44Å; V881-S884 PolarHBondContact O-N 3.34Å; V881-S884 PolarHBondContact O-OG 2.95Å; V881-H885 PolarHBondContact O-N 3.45Å
882	Y	97.2	Very high	96.3	Very high	23 Å²	23	17.8 Å²	17.8	9%	0.09	8%	0.081	C	C	.	.	H	α-helix	trans	-56.9	-41	172.4	-100.3	-74.7	0	0	0	112.1	Y868 V875 S876 Y877 P878 A879 H885 L886	Y868-Y882 HydrophobicContact CE2-CG 4.34Å; V875-Y882 HydrophobicContact CB-CD2 3.82Å; V875-Y882 HydrophobicContact CB-CE2 3.52Å; V875-Y882 HydrophobicContact CG1-CD2 4.37Å; V875-Y882 HydrophobicContact CG1-CE2 4.21Å; V875-Y882 HydrophobicContact CG2-CD2 3.72Å; V875-Y882 HydrophobicContact CG2-CE2 3.9Å; S876-Y882 PolarHBondContact OG-OH 3.28Å; Y877-Y882 HydrophobicContact CD1-CD2 4.38Å; Y877-Y882 AromaticContact CD1-CE2 3.63Å; Y877-Y882 HydrophobicContact CD1-CE2 3.63Å; Y877-Y882 AromaticContact CD2-CD2 3.32Å; Y877-Y882 HydrophobicContact CD2-CD2 3.32Å; Y877-Y882 AromaticContact CD2-CE2 3.45Å; Y877-Y882 HydrophobicContact CD2-CE2 3.45Å; Y877-Y882 VanDerWaalsContact CD2-CE2 3.45Å; Y877-Y882 HydrophobicContact CD2-CG 4.12Å; Y877-Y882 HydrophobicContact CE1-CD2 4.15Å; Y877-Y882 HydrophobicContact CE1-CE1 4.17Å; Y877-Y882 AromaticContact CE1-CE2 3.37Å; Y877-Y882 HydrophobicContact CE1-CE2 3.37Å; Y877-Y882 AromaticContact CE1-CZ 3.39Å; Y877-Y882 WeakPolarHBondContact CE1-OH 3.3Å; Y877-Y882 AromaticContact CE2-CD1 3.97Å; Y877-Y882 HydrophobicContact CE2-CD1 3.97Å; Y877-Y882 AromaticContact CE2-CD2 3.1Å; Y877-Y882 HydrophobicContact CE2-CD2 3.1Å; Y877-Y882 HydrophobicContact CE2-CE1 4.12Å; Y877-Y882 AromaticContact CE2-CE2 3.26Å; Y877-Y882 HydrophobicContact CE2-CE2 3.26Å; Y877-Y882 AromaticContact CE2-CG 3.48Å; Y877-Y882 HydrophobicContact CE2-CG 3.48Å; Y877-Y882 VanDerWaalsContact CE2-CG 3.48Å; Y877-Y882 AromaticContact CE2-CZ 3.79Å; Y877-Y882 AromaticContact CG-CD2 3.98Å; Y877-Y882 HydrophobicContact CG-CD2 3.98Å; Y877-Y882 AromaticContact CG-CE2 3.64Å; Y877-Y882 HydrophobicContact CG-CE2 3.64Å; Y877-Y882 AromaticContact CZ-CD1 3.87Å; Y877-Y882 AromaticContact CZ-CD2 3.54Å; Y877-Y882 AromaticContact CZ-CE1 3.59Å; Y877-Y882 AromaticContact CZ-CE2 3.18Å; Y877-Y882 AromaticContact CZ-CG 3.85Å; Y877-Y882 AromaticContact CZ-CZ 3.22Å; Y877-Y882 WeakPolarHBondContact O-CD2 3.22Å; Y877-Y882 WeakPolarHBondContact OH-CD1 3.34Å; Y877-Y882 WeakPolarHBondContact OH-CE1 3.48Å; Y877-Y882 VanDerWaalsContact OH-CZ 3.31Å; P878-Y882 PolarHBondContact O-N 3.48Å; A879-Y882 WeakPolarHBondContact O-CB 3.49Å; A879-Y882 PolarHBondContact O-N 3.1Å; A879-Y882 VanDerWaalsContact O-N 3.14Å; Y882-H885 WeakPolarHBondContact O-CB 3.46Å; Y882-H885 PolarHBondContact O-N 3.07Å; Y882-L886 VanDerWaalsContact O-CG 3.32Å; Y882-L886 WeakPolarHBondContact O-CG 3.49Å; Y882-L886 PolarHBondContact O-N 3.26Å
883	Y	98.1	Very high	96.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-67.1	-40.4	178	-63.7	-31.7	0	0	0	112.5	Y700 A867 Y868 M869 A879 P880 V881 H885 L886 A887 M921 F923 L924	Y700-Y883 HydrophobicContact CD1-CD2 4.19Å; Y700-Y883 AromaticContact CD2-CD2 3.64Å; Y700-Y883 HydrophobicContact CD2-CD2 3.64Å; Y700-Y883 AromaticContact CD2-CE2 3.37Å; Y700-Y883 HydrophobicContact CD2-CE2 3.37Å; Y700-Y883 HydrophobicContact CE2-CD2 4.04Å; Y700-Y883 AromaticContact CE2-CE2 3.54Å; Y700-Y883 HydrophobicContact CE2-CE2 3.54Å; Y700-Y883 AromaticContact CG-CD2 3.73Å; Y700-Y883 HydrophobicContact CG-CD2 3.73Å; Y700-Y883 AromaticContact CG-CE2 3.98Å; Y700-Y883 HydrophobicContact CG-CE2 3.98Å; A867-Y883 PolarHBondContact O-OH 2.77Å; A867-Y883 VanDerWaalsContact O-OH 3.13Å; Y868-Y883 WeakPolarHBondContact CA-OH 3.37Å; Y868-Y883 HydrophobicContact CD2-CD1 4.09Å; Y868-Y883 AromaticContact CD2-CE1 3.35Å; Y868-Y883 HydrophobicContact CD2-CE1 3.35Å; Y868-Y883 AromaticContact CD2-CZ 3.82Å; Y868-Y883 HydrophobicContact CE2-CD1 4.01Å; Y868-Y883 AromaticContact CE2-CE1 3.55Å; Y868-Y883 HydrophobicContact CE2-CE1 3.55Å; M869-Y883 PolarHBondContact N-OH 3.38Å; A879-Y883 HydrophobicContact CB-CD2 4.45Å; A879-Y883 HydrophobicContact CB-CE2 3.86Å; A879-Y883 WeakPolarHBondContact O-CD2 3.22Å; A879-Y883 PolarHBondContact O-N 2.77Å; P880-Y883 PolarHBondContact O-N 3.2Å; V881-Y883 VanDerWaalsContact C-N 3.25Å; V881-Y883 PolarHBondContact O-N 3.44Å; Y883-H885 VanDerWaalsContact C-N 3.3Å; Y883-H885 PolarHBondContact O-N 3.37Å; Y883-L886 HydrophobicContact CD1-CD1 4.33Å; Y883-L886 PolarHBondContact O-N 2.97Å; Y883-A887 WeakPolarHBondContact O-CB 3.38Å; Y883-A887 PolarHBondContact O-N 3.32Å; Y883-M921 HydrophobicContact CE2-SD 4.49Å; Y883-F923 HydrophobicContact CD1-CD2 4.48Å; Y883-F923 AromaticContact CD1-CE2 3.82Å; Y883-F923 HydrophobicContact CD1-CE2 3.82Å; Y883-F923 AromaticContact CG-CE2 3.73Å; Y883-F923 HydrophobicContact CG-CE2 3.73Å; Y883-F923 HydrophobicContact CG-CZ 4.43Å; Y883-L924 HydrophobicContact CD1-CD2 3.64Å; Y883-L924 HydrophobicContact CE1-CD2 3.35Å
884	S	97.8	Very high	95.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.8	-42.6	174.7	71.1	0	0	0	0	111.9	G668 D670 A688 P880 V881 L886 A887 A888	G668-S884 WeakPolarHBondContact O-CB 3.17Å; D670-S884 WeakPolarHBondContact CB-OG 3.46Å; D670-S884 PolarHBondContact N-OG 3.19Å; A688-S884 VanDerWaalsContact CB-O 3.26Å; A688-S884 WeakPolarHBondContact CB-O 3.19Å; P880-S884 PolarHBondContact O-N 2.88Å; V881-S884 PolarHBondContact O-N 3.34Å; V881-S884 PolarHBondContact O-OG 2.95Å; S884-L886 PolarHBondContact O-N 3.19Å; S884-A887 PolarHBondContact O-N 3.31Å; S884-A888 PolarHBondContact O-N 3.04Å
885	H	95.9	Very high	95.5	Very high	39 Å²	39	14.9 Å²	14.9	18%	0.181	7%	0.069	C	C	.	.	H	α-helix	trans	-60.4	-46.1	173.3	-172.8	72.9	0	0	0	112.4	D670 V881 Y882 Y883 A887 A888 F889	D670-H885 WeakPolarHBondContact OD2-CA 3.32Å; D670-H885 IonicContact OD2-CE1 3.54Å; D670-H885 IonicContact OD2-CG 3.63Å; D670-H885 IonicContact OD2-ND1 3.38Å; D670-H885 PolarHBondContact OD2-ND1 2.79Å; V881-H885 PolarHBondContact O-N 3.45Å; Y882-H885 WeakPolarHBondContact O-CB 3.46Å; Y882-H885 PolarHBondContact O-N 3.07Å; Y883-H885 VanDerWaalsContact C-N 3.3Å; Y883-H885 PolarHBondContact O-N 3.37Å; H885-A887 VanDerWaalsContact C-N 3.33Å; H885-A887 PolarHBondContact O-N 3.5Å; H885-A888 PolarHBondContact O-N 3.18Å; H885-F889 AromaticContact CE1-CD2 3.66Å; H885-F889 AromaticContact CE1-CE2 3.09Å; H885-F889 WeakPolarHBondContact CE1-CE2 3.49Å; H885-F889 AromaticContact CE1-CZ 3.93Å; H885-F889 AromaticContact ND1-CD2 3.99Å; H885-F889 AromaticContact ND1-CE2 3.75Å; H885-F889 AromaticContact NE2-CD2 3.75Å; H885-F889 AromaticContact NE2-CE2 3.44Å; H885-F889 WeakPolarHBondContact NE2-CE2 3.11Å; H885-F889 WeakPolarHBondContact O-CD2 3.36Å; H885-F889 PolarHBondContact O-N 2.95Å
886	L	96.7	Very high	94.9	Very high	30 Å²	30	16 Å²	16	16%	0.157	8%	0.078	C	C	.	.	H	α-helix	trans	-63.7	-37.4	177.2	-67.5	173.9	0	0	0	112.6	Y868 Y882 Y883 S884 R890 F923	Y868-L886 HydrophobicContact CE2-CD1 4.34Å; Y882-L886 VanDerWaalsContact O-CG 3.32Å; Y882-L886 WeakPolarHBondContact O-CG 3.49Å; Y882-L886 PolarHBondContact O-N 3.26Å; Y883-L886 HydrophobicContact CD1-CD1 4.33Å; Y883-L886 PolarHBondContact O-N 2.97Å; S884-L886 PolarHBondContact O-N 3.19Å; L886-R890 VanDerWaalsContact O-CB 3.3Å; L886-R890 WeakPolarHBondContact O-CB 3.24Å; L886-R890 PolarHBondContact O-N 2.85Å; L886-F923 HydrophobicContact CB-CD2 4.31Å
887	A	96.8	Very high	93.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67.8	-42.4	176.8	0	0	0	0	0	111.8	A688 V690 A702 V704 Y883 S884 H885 R890 A891 F923	A688-A887 HydrophobicContact CB-CB 3.99Å; V690-A887 HydrophobicContact CG2-CB 4.37Å; A702-A887 HydrophobicContact CB-CB 4.02Å; V704-A887 HydrophobicContact CG2-CB 3.97Å; Y883-A887 WeakPolarHBondContact O-CB 3.38Å; Y883-A887 PolarHBondContact O-N 3.32Å; S884-A887 PolarHBondContact O-N 3.31Å; H885-A887 VanDerWaalsContact C-N 3.33Å; H885-A887 PolarHBondContact O-N 3.5Å; A887-R890 PolarHBondContact O-N 2.97Å; A887-A891 PolarHBondContact O-N 2.6Å; A887-F923 HydrophobicContact CB-CB 4.26Å; A887-F923 HydrophobicContact CB-CD1 4.35Å; A887-F923 HydrophobicContact CB-CG 4.24Å
888	A	94.9	Very high	93	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.4	-44.8	174.7	0	0	0	0	0	111.7	V686 A688 S884 H885 A891 R892	V686-A888 HydrophobicContact CG1-CB 4.2Å; A688-A888 HydrophobicContact CB-CB 3.83Å; S884-A888 PolarHBondContact O-N 3.04Å; H885-A888 PolarHBondContact O-N 3.18Å; A888-A891 PolarHBondContact O-N 2.71Å; A888-R892 PolarHBondContact O-N 3.29Å
889	F	92.8	Very high	91.7	Very high	85 Å²	85	28.1 Å²	28.1	37%	0.373	14%	0.143	S	C	.	.	H	α-helix	trans	-65.1	-40	175.6	-89.7	-101.3	0	0	0	112.4	T672 H885 A891 R892 D893	T672-F889 HydrophobicContact CG2-CE2 4.1Å; T672-F889 HydrophobicContact CG2-CZ 4.49Å; H885-F889 AromaticContact CE1-CD2 3.66Å; H885-F889 AromaticContact CE1-CE2 3.09Å; H885-F889 WeakPolarHBondContact CE1-CE2 3.49Å; H885-F889 AromaticContact CE1-CZ 3.93Å; H885-F889 AromaticContact ND1-CD2 3.99Å; H885-F889 AromaticContact ND1-CE2 3.75Å; H885-F889 AromaticContact NE2-CD2 3.75Å; H885-F889 AromaticContact NE2-CE2 3.44Å; H885-F889 WeakPolarHBondContact NE2-CE2 3.11Å; H885-F889 WeakPolarHBondContact O-CD2 3.36Å; H885-F889 PolarHBondContact O-N 2.95Å; F889-A891 VanDerWaalsContact C-N 3.26Å; F889-A891 PolarHBondContact O-N 3.32Å; F889-R892 WeakPolarHBondContact O-CA 3.26Å; F889-R892 WeakPolarHBondContact O-CB 3.3Å; F889-R892 PolarHBondContact O-N 2.92Å; F889-D893 PolarHBondContact O-N 3.15Å; F889-D893 VanDerWaalsContact O-N 3.07Å
890	R	94.4	Very high	90.7	Very high	8 Å²	8	34.3 Å²	34.3	3%	0.03	17%	0.171	C	C	.	.	H	α-helix	trans	-59.2	-38.7	175.2	180	54.3	60.4	84.3	16.2	112	Y606 K610 D614 L886 A887 R892 D893 W894 F922	Y606-R890 PolarHBondContact OH-NH2 2.71Å; K610-R890 VanDerWaalsContact CD-NH1 3.35Å; D614-R890 WeakPolarHBondContact OD2-CD 3.34Å; D614-R890 IonicContact OD2-CZ 3.22Å; D614-R890 IonicContact OD2-NH1 3.32Å; D614-R890 PolarHBondContact OD2-NH1 2.77Å; L886-R890 VanDerWaalsContact O-CB 3.3Å; L886-R890 WeakPolarHBondContact O-CB 3.24Å; L886-R890 PolarHBondContact O-N 2.85Å; A887-R890 PolarHBondContact O-N 2.97Å; R890-R892 VanDerWaalsContact C-N 3.32Å; R890-R892 PolarHBondContact O-N 2.92Å; R890-D893 IonicContact NE-OD2 2.82Å; R890-D893 WeakPolarHBondContact O-CB 3.18Å; R890-D893 PolarHBondContact O-N 2.91Å; R890-D893 VanDerWaalsContact O-N 3.14Å; R890-W894 HydrophobicContact CG-CH2 4.41Å; R890-W894 HydrophobicContact CG-CZ2 3.65Å; R890-W894 PolarHBondContact O-N 2.94Å; R890-W894 VanDerWaalsContact O-N 3.1Å; R890-F922 HydrophobicContact CG-CD2 4.4Å; R890-F922 HydrophobicContact CG-CE2 4.1Å; R890-F922 PolarHBondContact NH1-O 2.77Å; R890-F922 VanDerWaalsContact NH1-O 3.14Å
891	A	93.5	Very high	89.7	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66.3	-32.8	174.4	0	0	0	0	0	113.4	V686 V704 A887 A888 F889 D893 W894 L895 F911	V686-A891 HydrophobicContact CG1-CB 3.8Å; V704-A891 HydrophobicContact CB-CB 4.48Å; V704-A891 HydrophobicContact CG1-CB 3.52Å; A887-A891 PolarHBondContact O-N 2.6Å; A888-A891 PolarHBondContact O-N 2.71Å; F889-A891 VanDerWaalsContact C-N 3.26Å; F889-A891 PolarHBondContact O-N 3.32Å; A891-D893 VanDerWaalsContact C-N 3.29Å; A891-D893 PolarHBondContact O-N 3.5Å; A891-W894 VanDerWaalsContact CA-CE3 3.42Å; A891-W894 HydrophobicContact CB-CE3 3.71Å; A891-W894 HydrophobicContact CB-CZ3 3.88Å; A891-W894 WeakPolarHBondContact O-CB 3.33Å; A891-W894 PolarHBondContact O-N 2.64Å; A891-L895 WeakPolarHBondContact O-CG 3.46Å; A891-L895 PolarHBondContact O-N 2.87Å; A891-L895 VanDerWaalsContact O-N 3.15Å; A891-F911 HydrophobicContact CB-CD2 4.03Å; A891-F911 HydrophobicContact CB-CE2 3.68Å; A891-F911 HydrophobicContact CB-CZ 3.99Å
892	R	89.7	Confident	89	Confident	51 Å²	51	39.8 Å²	39.8	19%	0.192	21%	0.211	C	C	.	.	H	α-helix	trans	-64	-36.4	170.2	-62.5	-178.9	69.1	167.4	5.7	112	V686 A888 F889 R890 W894 L895 S896	V686-R892 HydrophobicContact CG2-CG 4.38Å; A888-R892 PolarHBondContact O-N 3.29Å; F889-R892 WeakPolarHBondContact O-CA 3.26Å; F889-R892 WeakPolarHBondContact O-CB 3.3Å; F889-R892 PolarHBondContact O-N 2.92Å; R890-R892 VanDerWaalsContact C-N 3.32Å; R890-R892 PolarHBondContact O-N 2.92Å; R892-W894 VanDerWaalsContact C-N 3.32Å; R892-W894 PolarHBondContact O-N 2.84Å; R892-L895 PolarHBondContact O-N 2.82Å; R892-S896 PolarHBondContact O-N 3.41Å; R892-S896 VanDerWaalsContact O-N 3.16Å
893	D	91.1	Very high	88.7	Confident	46 Å²	46	42.9 Å²	42.9	25%	0.246	23%	0.233	C	C	.	.	H	α-helix	trans	-63.4	-39	174.1	-59.7	-48.7	0	0	0	111.4	Y606 G607 F889 R890 A891 L895 S896	Y606-D893 HydrophobicContact CD1-CB 4.23Å; Y606-D893 HydrophobicContact CE1-CB 4.14Å; Y606-D893 WeakPolarHBondContact CE1-OD2 3.37Å; G607-D893 WeakPolarHBondContact CA-O 3.49Å; F889-D893 PolarHBondContact O-N 3.15Å; F889-D893 VanDerWaalsContact O-N 3.07Å; R890-D893 IonicContact NE-OD2 2.82Å; R890-D893 WeakPolarHBondContact O-CB 3.18Å; R890-D893 PolarHBondContact O-N 2.91Å; R890-D893 VanDerWaalsContact O-N 3.14Å; A891-D893 VanDerWaalsContact C-N 3.29Å; A891-D893 PolarHBondContact O-N 3.5Å; D893-L895 VanDerWaalsContact C-N 3.29Å; D893-L895 PolarHBondContact O-N 3.08Å; D893-S896 WeakPolarHBondContact O-CB 3.5Å; D893-S896 PolarHBondContact O-N 3.27Å; D893-S896 PolarHBondContact O-OG 3.34Å
894	W	93	Very high	88.4	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.4	-34	175.4	-58.6	-27.5	0	0	0	113.2	K610 R611 D614 L615 R890 A891 R892 S896 L904 F911 V913 F922	K610-W894 PolarHBondContact O-NE1 3.39Å; R611-W894 HydrophobicContact CB-CB 4.48Å; D614-W894 HydrophobicContact CB-CZ2 3.64Å; D614-W894 PolarHBondContact OD2-NE1 3.21Å; D614-W894 VanDerWaalsContact OD2-NE1 3.14Å; L615-W894 HydrophobicContact CD1-CB 4.15Å; L615-W894 HydrophobicContact CD1-CD2 3.99Å; L615-W894 HydrophobicContact CD1-CE3 4.21Å; L615-W894 HydrophobicContact CD1-CG 3.99Å; L615-W894 HydrophobicContact CD2-CD2 3.95Å; L615-W894 HydrophobicContact CD2-CE3 3.93Å; L615-W894 HydrophobicContact CD2-CH2 3.95Å; L615-W894 HydrophobicContact CD2-CZ2 3.91Å; L615-W894 HydrophobicContact CD2-CZ3 3.97Å; L615-W894 HydrophobicContact CG-CD2 4.13Å; L615-W894 HydrophobicContact CG-CE3 4.48Å; L615-W894 HydrophobicContact CG-CG 4.37Å; R890-W894 HydrophobicContact CG-CH2 4.41Å; R890-W894 HydrophobicContact CG-CZ2 3.65Å; R890-W894 PolarHBondContact O-N 2.94Å; R890-W894 VanDerWaalsContact O-N 3.1Å; A891-W894 VanDerWaalsContact CA-CE3 3.42Å; A891-W894 HydrophobicContact CB-CE3 3.71Å; A891-W894 HydrophobicContact CB-CZ3 3.88Å; A891-W894 WeakPolarHBondContact O-CB 3.33Å; A891-W894 PolarHBondContact O-N 2.64Å; R892-W894 VanDerWaalsContact C-N 3.32Å; R892-W894 PolarHBondContact O-N 2.84Å; W894-S896 VanDerWaalsContact C-N 3.34Å; W894-L904 HydrophobicContact CB-CD1 4.48Å; W894-F911 HydrophobicContact CE3-CB 3.98Å; W894-F911 AromaticContact CE3-CD1 3.55Å; W894-F911 HydrophobicContact CE3-CD1 3.55Å; W894-F911 HydrophobicContact CE3-CD2 4.33Å; W894-F911 HydrophobicContact CE3-CE1 4.07Å; W894-F911 AromaticContact CE3-CG 3.69Å; W894-F911 HydrophobicContact CE3-CG 3.69Å; W894-F911 HydrophobicContact CZ3-CB 3.6Å; W894-F911 HydrophobicContact CZ3-CD1 4.07Å; W894-F911 HydrophobicContact CZ3-CD2 4.24Å; W894-F911 AromaticContact CZ3-CG 3.71Å; W894-F911 HydrophobicContact CZ3-CG 3.71Å; W894-V913 HydrophobicContact CH2-CG2 3.55Å; W894-V913 HydrophobicContact CZ2-CG2 4.36Å; W894-V913 HydrophobicContact CZ3-CG2 4.07Å; W894-F922 AromaticContact CH2-CE2 3.56Å; W894-F922 HydrophobicContact CH2-CE2 3.56Å; W894-F922 AromaticContact CH2-CZ 3.85Å; W894-F922 HydrophobicContact CH2-CZ 3.85Å; W894-F922 HydrophobicContact CZ2-CD2 4.08Å; W894-F922 AromaticContact CZ2-CE2 3.4Å; W894-F922 HydrophobicContact CZ2-CE2 3.4Å; W894-F922 VanDerWaalsContact CZ2-CE2 3.4Å; W894-F922 HydrophobicContact CZ2-CZ 4.14Å
895	L	88.7	Confident	88.2	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-78.4	-16.5	177.9	-64.5	168.3	0	0	0	113.3	V682 V686 A891 R892 D893 T898 A901 F911	V682-L895 HydrophobicContact CG1-CD1 3.9Å; V682-L895 HydrophobicContact CG2-CB 3.83Å; V682-L895 HydrophobicContact CG2-CD1 4.12Å; V686-L895 HydrophobicContact CG2-CD1 4.34Å; A891-L895 WeakPolarHBondContact O-CG 3.46Å; A891-L895 PolarHBondContact O-N 2.87Å; A891-L895 VanDerWaalsContact O-N 3.15Å; R892-L895 PolarHBondContact O-N 2.82Å; D893-L895 VanDerWaalsContact C-N 3.29Å; D893-L895 PolarHBondContact O-N 3.08Å; L895-T898 WeakPolarHBondContact O-CG2 3.27Å; L895-T898 PolarHBondContact O-N 2.96Å; L895-A901 HydrophobicContact CD2-CB 3.7Å; L895-F911 HydrophobicContact CD1-CZ 4.01Å; L895-F911 HydrophobicContact CD2-CE1 3.92Å; L895-F911 HydrophobicContact CD2-CZ 3.94Å; L895-F911 HydrophobicContact CG-CE1 4.13Å; L895-F911 HydrophobicContact CG-CZ 3.93Å
896	S	83.6	Confident	88	Confident	33 Å²	33	44.6 Å²	44.6	23%	0.231	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	138.4	179.7	71.4	0	0	0	0	111.3	G607 R892 D893 W894 T898	G607-S896 WeakPolarHBondContact CA-OG 3.21Å; R892-S896 PolarHBondContact O-N 3.41Å; R892-S896 VanDerWaalsContact O-N 3.16Å; D893-S896 WeakPolarHBondContact O-CB 3.5Å; D893-S896 PolarHBondContact O-N 3.27Å; D893-S896 PolarHBondContact O-OG 3.34Å; W894-S896 VanDerWaalsContact C-N 3.34Å; S896-T898 PolarHBondContact O-N 3.32Å
897	N	77.1	Confident	87.7	Confident	91 Å²	91	50.8 Å²	50.8	49%	0.487	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	39	179.4	-54.4	-39.5	0	0	0	113	R611	R611-N897 PolarHBondContact NH1-O 3.12Å; R611-N897 PolarHBondContact NH2-O 3.12Å
898	T	79.1	Confident	87.5	Confident	23 Å²	23	57.4 Å²	57.4	14%	0.141	30%	0.302	C	S	.	.			trans	-117.1	129.9	171.8	-150.3	0	0	0	0	109.6	R611 L895 S896 A901 L904	R611-T898 PolarHBondContact NH1-OG1 3.06Å; L895-T898 WeakPolarHBondContact O-CG2 3.27Å; L895-T898 PolarHBondContact O-N 2.96Å; S896-T898 PolarHBondContact O-N 3.32Å; T898-A901 HydrophobicContact CG2-CB 4.1Å; T898-L904 HydrophobicContact CG2-CD1 4.49Å
899	N	71.4	Confident	87.4	Confident	161 Å²	161	60.3 Å²	60.3	86%	0.861	32%	0.317	S	S	*	.	S	Bend	trans	-85.3	-26.9	173.8	-67.5	-10.1	0	0	0	111.2
900	E	75.6	Confident	87.5	Confident	130 Å²	130	58.4 Å²	58.4	61%	0.607	31%	0.308	S	S	*	.			trans	-119.7	83.7	-177.2	-66.6	-179.9	-177.1	0	0	110.4	S902 V903	E900-S902 VanDerWaalsContact C-N 3.27Å; E900-S902 PolarHBondContact O-N 3.21Å; E900-V903 HydrophobicContact CB-CG2 4.04Å
901	A	78.2	Confident	87.5	Confident	28 Å²	28	58.1 Å²	58.1	23%	0.231	31%	0.307	C	S	.	.	S	Bend	trans	-66.1	-29.9	178.1	0	0	0	0	0	112.8	L895 T898 V903 L904	L895-A901 HydrophobicContact CD2-CB 3.7Å; T898-A901 HydrophobicContact CG2-CB 4.1Å; A901-V903 VanDerWaalsContact C-N 3.3Å; A901-V903 PolarHBondContact O-N 3.12Å; A901-L904 WeakPolarHBondContact O-CB 3.38Å; A901-L904 PolarHBondContact O-N 3.31Å; A901-L904 VanDerWaalsContact O-N 3.17Å
902	S	84.1	Confident	87.6	Confident	86 Å²	86	63 Å²	63	60%	0.601	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-62	-32.8	-177.1	50.4	0	0	0	0	113.6	E900 L904 L905	E900-S902 VanDerWaalsContact C-N 3.27Å; E900-S902 PolarHBondContact O-N 3.21Å; S902-L904 PolarHBondContact O-N 2.91Å; S902-L905 PolarHBondContact O-N 2.96Å
903	V	89.3	Confident	87.8	Confident	89 Å²	89	61.4 Å²	61.4	54%	0.539	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-63.7	-27.1	179.3	178.9	0	0	0	0	111.7	E900 A901 L905	E900-V903 HydrophobicContact CB-CG2 4.04Å; A901-V903 VanDerWaalsContact C-N 3.3Å; A901-V903 PolarHBondContact O-N 3.12Å; V903-L905 VanDerWaalsContact C-N 3.26Å; V903-L905 PolarHBondContact O-N 3.17Å
904	L	92.1	Very high	88	Confident	23 Å²	23	62.2 Å²	62.2	12%	0.12	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-78.3	-11.2	178.9	-51.9	-176.9	0	0	0	113	R611 L615 W894 T898 A901 S902 F911 K912	R611-L904 HydrophobicContact CG-CD2 4.29Å; L615-L904 HydrophobicContact CD1-CB 4.2Å; L615-L904 HydrophobicContact CD1-CD1 4.35Å; L615-L904 HydrophobicContact CD1-CD2 4.04Å; L615-L904 HydrophobicContact CD1-CG 4.43Å; W894-L904 HydrophobicContact CB-CD1 4.48Å; T898-L904 HydrophobicContact CG2-CD1 4.49Å; A901-L904 WeakPolarHBondContact O-CB 3.38Å; A901-L904 PolarHBondContact O-N 3.31Å; A901-L904 VanDerWaalsContact O-N 3.17Å; S902-L904 PolarHBondContact O-N 2.91Å; L904-F911 HydrophobicContact CB-CD1 4.15Å; L904-F911 HydrophobicContact CB-CE1 4.32Å; L904-F911 WeakPolarHBondContact O-CA 3.26Å; L904-K912 PolarHBondContact O-N 2.99Å
905	L	93.1	Very high	87.9	Confident	12 Å²	12	68.5 Å²	68.5	6%	0.063	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-111.2	152.4	-172.9	-53.5	173.1	0	0	0	111.4	Q706 S902 V903 R910 F911 K912	Q706-L905 HydrophobicContact CB-CD1 4.28Å; Q706-L905 HydrophobicContact CG-CD1 4.14Å; Q706-L905 HydrophobicContact CG-CD2 4.2Å; Q706-L905 VanDerWaalsContact OE1-CD1 3.23Å; S902-L905 PolarHBondContact O-N 2.96Å; V903-L905 VanDerWaalsContact C-N 3.26Å; V903-L905 PolarHBondContact O-N 3.17Å; L905-R910 CarbonylContact C-O 3.47Å; L905-R910 VanDerWaalsContact CA-O 3.23Å; L905-R910 WeakPolarHBondContact CA-O 3.35Å; L905-F911 HydrophobicContact CD2-CB 4.44Å; L905-F911 HydrophobicContact CD2-CD1 3.6Å; L905-F911 HydrophobicContact CD2-CD2 3.84Å; L905-F911 HydrophobicContact CD2-CE1 3.67Å; L905-F911 HydrophobicContact CD2-CE2 3.89Å; L905-F911 HydrophobicContact CD2-CG 3.7Å; L905-F911 HydrophobicContact CD2-CZ 3.81Å; L905-K912 WeakPolarHBondContact O-CE 3.49Å; L905-K912 PolarHBondContact O-NZ 3.19Å
906	D	93.4	Very high	87.8	Confident	40 Å²	40	70.7 Å²	70.7	21%	0.214	37%	0.373	C	S	.	.			trans	-86.9	-178.2	164.4	67.1	27.8	0	0	0	112	Y908 D909 R910 K912	D906-Y908 PolarHBondContact O-N 3.04Å; D906-Y908 WeakPolarHBondContact OD1-CA 3.35Å; D906-Y908 PolarHBondContact OD1-N 3.24Å; D906-D909 PolarHBondContact O-N 2.83Å; D906-D909 VanDerWaalsContact O-N 3.09Å; D906-D909 PolarHBondContact OD1-N 3.42Å; D906-R910 PolarHBondContact N-O 2.88Å; D906-R910 WeakPolarHBondContact OD1-CB 3.35Å; D906-R910 PolarHBondContact OD1-N 3.34Å; D906-R910 WeakPolarHBondContact OD2-CB 3.2Å; D906-R910 WeakPolarHBondContact OD2-CD 3.45Å; D906-R910 WeakPolarHBondContact OD2-CG 3.42Å; D906-R910 IonicContact OD2-NH1 3.87Å; D906-K912 HydrophobicContact CB-CG 4.38Å
907	D	90.1	Very high	88.1	Confident	160 Å²	160	69.1 Å²	69.1	86%	0.856	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-9.8	-175.7	-59.1	-27.2	0	0	0	113.9
908	Y	91.6	Very high	88.4	Confident	139 Å²	139	65.7 Å²	65.7	55%	0.545	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	22.9	177.9	-59.7	-79.9	0	0	0	111.9	R705 L726 D906 R910	R705-Y908 PolarHBondContact NH1-O 3.02Å; L726-Y908 HydrophobicContact CD1-CD1 3.8Å; L726-Y908 HydrophobicContact CD1-CE1 4.25Å; L726-Y908 HydrophobicContact CD1-CG 3.96Å; D906-Y908 PolarHBondContact O-N 3.04Å; D906-Y908 WeakPolarHBondContact OD1-CA 3.35Å; D906-Y908 PolarHBondContact OD1-N 3.24Å; Y908-R910 PolarHBondContact O-N 2.85Å
909	D	93.4	Very high	88.4	Confident	60 Å²	60	67.1 Å²	67.1	32%	0.321	35%	0.352	S	S	.	.	S	Bend	trans	59.7	20.6	-177.3	-65.9	-75.1	0	0	0	113.9	K684 R705 Q706 D906	K684-D909 IonicContact NZ-OD1 2.85Å; K684-D909 PolarHBondContact NZ-OD1 3.02Å; R705-D909 CarbonylContact C-O 3.53Å; R705-D909 VanDerWaalsContact CA-O 3.22Å; R705-D909 WeakPolarHBondContact CA-O 3.47Å; Q706-D909 HydrophobicContact CB-CB 4.36Å; Q706-D909 PolarHBondContact N-O 3.34Å; Q706-D909 VanDerWaalsContact O-CB 3.25Å; Q706-D909 WeakPolarHBondContact O-CB 3.4Å; D906-D909 PolarHBondContact O-N 2.83Å; D906-D909 VanDerWaalsContact O-N 3.09Å; D906-D909 PolarHBondContact OD1-N 3.42Å
910	R	94.5	Very high	88.8	Confident	46 Å²	46	59.5 Å²	59.5	17%	0.174	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-88	136.1	175.5	156	-179.7	-173.8	-82.2	4.6	111.3	I703 V704 R705 E730 L905 D906 Y908 K912	I703-R910 HydrophobicContact CG2-CG 4.44Å; V704-R910 WeakPolarHBondContact O-CA 3.37Å; R705-R910 HydrophobicContact CG-CB 3.79Å; E730-R910 WeakPolarHBondContact OE1-CD 3.24Å; E730-R910 IonicContact OE1-CZ 2.82Å; E730-R910 IonicContact OE1-NE 2.78Å; E730-R910 PolarHBondContact OE1-NE 3.49Å; E730-R910 IonicContact OE2-CZ 3.62Å; E730-R910 IonicContact OE2-NE 3.72Å; E730-R910 PolarHBondContact OE2-NE 3.08Å; E730-R910 IonicContact OE2-NH2 3.64Å; E730-R910 PolarHBondContact OE2-NH2 2.8Å; L905-R910 CarbonylContact C-O 3.47Å; L905-R910 VanDerWaalsContact CA-O 3.23Å; L905-R910 WeakPolarHBondContact CA-O 3.35Å; D906-R910 PolarHBondContact N-O 2.88Å; D906-R910 WeakPolarHBondContact OD1-CB 3.35Å; D906-R910 PolarHBondContact OD1-N 3.34Å; D906-R910 WeakPolarHBondContact OD2-CB 3.2Å; D906-R910 WeakPolarHBondContact OD2-CD 3.45Å; D906-R910 WeakPolarHBondContact OD2-CG 3.42Å; D906-R910 IonicContact OD2-NH1 3.87Å; Y908-R910 PolarHBondContact O-N 2.85Å; R910-K912 PolarHBondContact O-N 2.98Å
911	F	95.1	Very high	89.7	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.009	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-64.1	130.8	174.1	-74.1	-85.8	0	0	0	110.9	V704 Q706 A891 W894 L895 L904 L905 V913	V704-F911 HydrophobicContact CB-CD2 4.12Å; V704-F911 HydrophobicContact CG1-CD2 3.95Å; V704-F911 HydrophobicContact CG1-CE2 4.25Å; V704-F911 WeakPolarHBondContact O-CD2 3.34Å; V704-F911 PolarHBondContact O-N 2.99Å; Q706-F911 HydrophobicContact CG-CE2 3.77Å; Q706-F911 HydrophobicContact CG-CZ 3.8Å; A891-F911 HydrophobicContact CB-CD2 4.03Å; A891-F911 HydrophobicContact CB-CE2 3.68Å; A891-F911 HydrophobicContact CB-CZ 3.99Å; W894-F911 HydrophobicContact CE3-CB 3.98Å; W894-F911 AromaticContact CE3-CD1 3.55Å; W894-F911 HydrophobicContact CE3-CD1 3.55Å; W894-F911 HydrophobicContact CE3-CD2 4.33Å; W894-F911 HydrophobicContact CE3-CE1 4.07Å; W894-F911 AromaticContact CE3-CG 3.69Å; W894-F911 HydrophobicContact CE3-CG 3.69Å; W894-F911 HydrophobicContact CZ3-CB 3.6Å; W894-F911 HydrophobicContact CZ3-CD1 4.07Å; W894-F911 HydrophobicContact CZ3-CD2 4.24Å; W894-F911 AromaticContact CZ3-CG 3.71Å; W894-F911 HydrophobicContact CZ3-CG 3.71Å; L895-F911 HydrophobicContact CD1-CZ 4.01Å; L895-F911 HydrophobicContact CD2-CE1 3.92Å; L895-F911 HydrophobicContact CD2-CZ 3.94Å; L895-F911 HydrophobicContact CG-CE1 4.13Å; L895-F911 HydrophobicContact CG-CZ 3.93Å; L904-F911 HydrophobicContact CB-CD1 4.15Å; L904-F911 HydrophobicContact CB-CE1 4.32Å; L904-F911 WeakPolarHBondContact O-CA 3.26Å; L905-F911 HydrophobicContact CD2-CB 4.44Å; L905-F911 HydrophobicContact CD2-CD1 3.6Å; L905-F911 HydrophobicContact CD2-CD2 3.84Å; L905-F911 HydrophobicContact CD2-CE1 3.67Å; L905-F911 HydrophobicContact CD2-CE2 3.89Å; L905-F911 HydrophobicContact CD2-CG 3.7Å; L905-F911 HydrophobicContact CD2-CZ 3.81Å; F911-V913 HydrophobicContact CB-CG2 4.48Å; F911-V913 PolarHBondContact O-N 3.47Å
912	K	94.8	Very high	90.4	Very high	103 Å²	103	52.4 Å²	52.4	45%	0.448	27%	0.274	S	S	.	.			trans	-74.3	64.1	179.4	-68.7	169.6	170.2	151.7	0	111.4	L904 L905 D906 R910 H914	L904-K912 PolarHBondContact O-N 2.99Å; L905-K912 WeakPolarHBondContact O-CE 3.49Å; L905-K912 PolarHBondContact O-NZ 3.19Å; D906-K912 HydrophobicContact CB-CG 4.38Å; R910-K912 PolarHBondContact O-N 2.98Å; K912-H914 PolarHBondContact O-N 3.31Å
913	V	94.8	Very high	90.8	Very high	17 Å²	17	48.5 Å²	48.5	10%	0.103	25%	0.246	C	C	.	.			trans	-61	128.6	175.1	177.4	0	0	0	0	109	L615 W894 F911 I915 Q917 T918 F922	L615-V913 HydrophobicContact CD2-CB 4.44Å; L615-V913 HydrophobicContact CD2-CG2 3.97Å; W894-V913 HydrophobicContact CH2-CG2 3.55Å; W894-V913 HydrophobicContact CZ2-CG2 4.36Å; W894-V913 HydrophobicContact CZ3-CG2 4.07Å; F911-V913 HydrophobicContact CB-CG2 4.48Å; F911-V913 PolarHBondContact O-N 3.47Å; V913-I915 PolarHBondContact O-N 3.46Å; V913-Q917 HydrophobicContact CG1-CB 3.71Å; V913-T918 HydrophobicContact CG1-CG2 4.37Å; V913-F922 HydrophobicContact CG1-CD1 4.3Å; V913-F922 HydrophobicContact CG1-CE1 3.9Å; V913-F922 HydrophobicContact CG1-CZ 4.25Å; V913-F922 HydrophobicContact CG2-CZ 4.16Å
914	H	94.5	Very high	91	Very high	63 Å²	63	44.6 Å²	44.6	29%	0.292	22%	0.222	S	C	.	.			trans	-59.3	138.7	-177.1	-173.3	-86.4	0	0	0	110.4	D614 K616 G618 K912 S916 Q917	D614-H914 WeakPolarHBondContact O-CB 3.37Å; D614-H914 PolarHBondContact O-N 2.81Å; K616-H914 PolarHBondContact O-CD2 2.83Å; G618-H914 WeakPolarHBondContact CA-ND1 3.16Å; K912-H914 PolarHBondContact O-N 3.31Å; H914-S916 PolarHBondContact CE1-OG 3.13Å; H914-S916 WeakPolarHBondContact ND1-CB 3.41Å; H914-S916 PolarHBondContact ND1-N 3.24Å; H914-S916 VanDerWaalsContact ND1-N 3.19Å; H914-S916 PolarHBondContact ND1-OG 3.22Å; H914-S916 PolarHBondContact O-N 3.43Å; H914-S916 VanDerWaalsContact O-N 3.09Å; H914-Q917 HydrophobicContact CB-CG 4.16Å; H914-Q917 WeakPolarHBondContact O-CA 3.38Å; H914-Q917 VanDerWaalsContact O-CB 3.27Å; H914-Q917 WeakPolarHBondContact O-CB 3.35Å; H914-Q917 PolarHBondContact O-N 2.85Å
915	I	90.8	Very high	90.9	Very high	131 Å²	131	45.7 Å²	45.7	67%	0.672	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-57.3	-31.7	-173.1	-168.8	63.8	0	0	0	113.4	V913 Q917 T918	V913-I915 PolarHBondContact O-N 3.46Å; I915-Q917 PolarHBondContact O-N 2.87Å; I915-T918 HydrophobicContact CD1-CG2 4.43Å; I915-T918 PolarHBondContact O-N 3.29Å; I915-T918 PolarHBondContact O-OG1 3.48Å
916	S	88	Confident	90.8	Very high	47 Å²	47	47.4 Å²	47.4	33%	0.329	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-69.2	-9.4	175.2	74	0	0	0	0	114.1	G618 R620 H914	G618-S916 VanDerWaalsContact CA-OG 3.23Å; G618-S916 WeakPolarHBondContact CA-OG 3.19Å; G618-S916 PolarHBondContact O-OG 3.38Å; R620-S916 PolarHBondContact NH2-O 3.16Å; H914-S916 PolarHBondContact CE1-OG 3.13Å; H914-S916 WeakPolarHBondContact ND1-CB 3.41Å; H914-S916 PolarHBondContact ND1-N 3.24Å; H914-S916 VanDerWaalsContact ND1-N 3.19Å; H914-S916 PolarHBondContact ND1-OG 3.22Å; H914-S916 PolarHBondContact O-N 3.43Å; H914-S916 VanDerWaalsContact O-N 3.09Å
917	Q	89.8	Confident	90.7	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-98.6	-24	-179.9	-57.8	-63.2	-54.9	0	0	112.9	G618 R620 V913 H914 I915 D919 G920 F922	G618-Q917 PolarHBondContact O-NE2 2.97Å; R620-Q917 VanDerWaalsContact CD-OE1 3.24Å; R620-Q917 VanDerWaalsContact CZ-OE1 3.31Å; R620-Q917 VanDerWaalsContact NH1-CD 3.34Å; R620-Q917 PolarHBondContact NH1-O 2.88Å; V913-Q917 HydrophobicContact CG1-CB 3.71Å; H914-Q917 HydrophobicContact CB-CG 4.16Å; H914-Q917 WeakPolarHBondContact O-CA 3.38Å; H914-Q917 VanDerWaalsContact O-CB 3.27Å; H914-Q917 WeakPolarHBondContact O-CB 3.35Å; H914-Q917 PolarHBondContact O-N 2.85Å; I915-Q917 PolarHBondContact O-N 2.87Å; Q917-D919 VanDerWaalsContact C-N 3.31Å; Q917-D919 PolarHBondContact O-N 3.28Å; Q917-G920 PolarHBondContact O-N 3.09Å; Q917-G920 VanDerWaalsContact O-N 3.08Å; Q917-F922 HydrophobicContact CB-CB 4.34Å; Q917-F922 HydrophobicContact CB-CD1 4.12Å; Q917-F922 HydrophobicContact CB-CG 4.39Å
918	T	83.7	Confident	90.7	Very high	19 Å²	19	41.2 Å²	41.2	12%	0.117	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-26.9	-165	55.5	0	0	0	0	114.8	V913 I915	V913-T918 HydrophobicContact CG1-CG2 4.37Å; I915-T918 HydrophobicContact CD1-CG2 4.43Å; I915-T918 PolarHBondContact O-N 3.29Å; I915-T918 PolarHBondContact O-OG1 3.48Å
919	D	77.7	Confident	90.6	Very high	52 Å²	52	35.1 Å²	35.1	28%	0.278	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	1.5	179.2	66.8	-15.8	0	0	0	113.7	R620 R699 Q917	R620-D919 IonicContact NH2-OD1 3.35Å; R699-D919 PolarHBondContact NH2-O 3.37Å; Q917-D919 VanDerWaalsContact C-N 3.31Å; Q917-D919 PolarHBondContact O-N 3.28Å
920	G	79.9	Confident	90.5	Very high	2 Å²	2	33.5 Å²	33.5	2%	0.021	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	152.2	176.8	0	0	0	0	0	111.2	Q917 F922	Q917-G920 PolarHBondContact O-N 3.09Å; Q917-G920 VanDerWaalsContact O-N 3.08Å; G920-F922 PolarHBondContact O-N 2.96Å
921	M	94	Very high	90.2	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.015	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	65	-177.1	-59	178.7	-75.1	0	0	110.7	K645 Y700 M869 Y883 F923 L924	K645-M921 WeakPolarHBondContact CG-O 3.31Å; Y700-M921 HydrophobicContact CD2-SD 4.08Å; Y700-M921 WeakPolarHBondContact O-CG 3.33Å; M869-M921 HydrophobicContact CE-CE 3.79Å; M869-M921 HydrophobicContact CG-CE 4.47Å; M869-M921 HydrophobicContact SD-CE 3.27Å; M869-M921 WeakPolarHBondContact SD-CE 3.09Å; M869-M921 HydrophobicContact SD-SD 4.36Å; Y883-M921 HydrophobicContact CE2-SD 4.49Å; M921-F923 HydrophobicContact CB-CE1 4.22Å; M921-F923 HydrophobicContact CB-CE2 4.03Å; M921-F923 HydrophobicContact CB-CZ 3.78Å; M921-F923 HydrophobicContact CG-CE2 4.43Å; M921-F923 HydrophobicContact CG-CZ 3.91Å; M921-F923 PolarHBondContact O-N 3.06Å; M921-F923 VanDerWaalsContact O-N 3.07Å; M921-L924 HydrophobicContact CB-CD1 3.57Å; M921-L924 HydrophobicContact CB-CD2 4.26Å; M921-L924 HydrophobicContact CB-CG 3.62Å; M921-L924 HydrophobicContact CE-CD1 3.83Å; M921-L924 HydrophobicContact CG-CD1 4.45Å; M921-L924 VanDerWaalsContact O-CG 3.32Å; M921-L924 WeakPolarHBondContact O-CG 3.18Å; M921-L924 PolarHBondContact O-N 3.4Å; M921-L924 HydrophobicContact SD-CD1 4.09Å
922	F	93.1	Very high	89.8	Confident	6 Å²	6	34.9 Å²	34.9	3%	0.026	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-25.2	-176.1	66.9	-93.2	0	0	0	113.6	D614 A702 R890 W894 V913 Q917 G920 L924	D614-F922 HydrophobicContact CB-CD2 4.29Å; A702-F922 HydrophobicContact CB-CE1 4.33Å; A702-F922 HydrophobicContact CB-CZ 4.39Å; R890-F922 HydrophobicContact CG-CD2 4.4Å; R890-F922 HydrophobicContact CG-CE2 4.1Å; R890-F922 PolarHBondContact NH1-O 2.77Å; R890-F922 VanDerWaalsContact NH1-O 3.14Å; W894-F922 AromaticContact CH2-CE2 3.56Å; W894-F922 HydrophobicContact CH2-CE2 3.56Å; W894-F922 AromaticContact CH2-CZ 3.85Å; W894-F922 HydrophobicContact CH2-CZ 3.85Å; W894-F922 HydrophobicContact CZ2-CD2 4.08Å; W894-F922 AromaticContact CZ2-CE2 3.4Å; W894-F922 HydrophobicContact CZ2-CE2 3.4Å; W894-F922 VanDerWaalsContact CZ2-CE2 3.4Å; W894-F922 HydrophobicContact CZ2-CZ 4.14Å; V913-F922 HydrophobicContact CG1-CD1 4.3Å; V913-F922 HydrophobicContact CG1-CE1 3.9Å; V913-F922 HydrophobicContact CG1-CZ 4.25Å; V913-F922 HydrophobicContact CG2-CZ 4.16Å; Q917-F922 HydrophobicContact CB-CB 4.34Å; Q917-F922 HydrophobicContact CB-CD1 4.12Å; Q917-F922 HydrophobicContact CB-CG 4.39Å; G920-F922 PolarHBondContact O-N 2.96Å; F922-L924 VanDerWaalsContact C-N 3.34Å; F922-L924 PolarHBondContact O-N 2.8Å
923	F	93.4	Very high	89.4	Confident	3 Å²	3	29.3 Å²	29.3	1%	0.013	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-8.7	-177.8	49.1	-97.3	0	0	0	114.6	A702 Y883 L886 A887 M921	A702-F923 HydrophobicContact CB-CD1 3.74Å; A702-F923 HydrophobicContact CB-CE1 3.52Å; A702-F923 HydrophobicContact CB-CZ 4.47Å; Y883-F923 HydrophobicContact CD1-CD2 4.48Å; Y883-F923 AromaticContact CD1-CE2 3.82Å; Y883-F923 HydrophobicContact CD1-CE2 3.82Å; Y883-F923 AromaticContact CG-CE2 3.73Å; Y883-F923 HydrophobicContact CG-CE2 3.73Å; Y883-F923 HydrophobicContact CG-CZ 4.43Å; L886-F923 HydrophobicContact CB-CD2 4.31Å; A887-F923 HydrophobicContact CB-CB 4.26Å; A887-F923 HydrophobicContact CB-CD1 4.35Å; A887-F923 HydrophobicContact CB-CG 4.24Å; M921-F923 HydrophobicContact CB-CE1 4.22Å; M921-F923 HydrophobicContact CB-CE2 4.03Å; M921-F923 HydrophobicContact CB-CZ 3.78Å; M921-F923 HydrophobicContact CG-CE2 4.43Å; M921-F923 HydrophobicContact CG-CZ 3.91Å; M921-F923 PolarHBondContact O-N 3.06Å; M921-F923 VanDerWaalsContact O-N 3.07Å
924	L	92.8	Very high	88.9	Confident	7 Å²	7	30.4 Å²	30.4	4%	0.037	16%	0.164	C	C	.	.			trans	-64.1	0	-179.7	-59.1	-179.9	0	0	0	115.1	K645 R870 Y883 M921 F922	K645-L924 VanDerWaalsContact CE-C 3.48Å; K645-L924 WeakPolarHBondContact CE-O 3.28Å; K645-L924 HydrophobicContact CG-CB 4.23Å; K645-L924 PolarHBondContact NZ-O 3.19Å; R870-L924 HydrophobicContact CG-CB 4.09Å; R870-L924 HydrophobicContact CG-CD2 3.7Å; R870-L924 HydrophobicContact CG-CG 4.29Å; R870-L924 PolarHBondContact NE-OXT 2.94Å; R870-L924 PolarHBondContact NH2-OXT 3.16Å; Y883-L924 HydrophobicContact CD1-CD2 3.64Å; Y883-L924 HydrophobicContact CE1-CD2 3.35Å; M921-L924 HydrophobicContact CB-CD1 3.57Å; M921-L924 HydrophobicContact CB-CD2 4.26Å; M921-L924 HydrophobicContact CB-CG 3.62Å; M921-L924 HydrophobicContact CE-CD1 3.83Å; M921-L924 HydrophobicContact CG-CD1 4.45Å; M921-L924 VanDerWaalsContact O-CG 3.32Å; M921-L924 WeakPolarHBondContact O-CG 3.18Å; M921-L924 PolarHBondContact O-N 3.4Å; M921-L924 HydrophobicContact SD-CD1 4.09Å; F922-L924 VanDerWaalsContact C-N 3.34Å; F922-L924 PolarHBondContact O-N 2.8Å

Retrieved 924 of 924 residues in 1391.1 ms (Link to these results)

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