A0A087X6G8_POEFO Loading...

FYVE, RhoGEF and PH domain containing 1

AlphaFold DB , UniProt , Accession A0A087X6G8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 838 aa.

						>A0A087X6G8_POEFO|A0A087X6G8
NDTGPPELPVTTVTAPNRTRPPLLGPKPQDLQQQAGAMRPRLRVPEKSLPPPPPCRPLPADPRGAWTPPNQADGTASPTCVLSLIEKFEREQIIVVPDITGGALCPRPLDPPSPQSSSPPSSASPAPPQLGGAEPPSDLTEQDDITQGAETDGKLANRDSGIDSISSPSHSEELCFTGVDDGGVAYPCSPALLPRLSSSSSTAGEVGEAEEARMGARRKRDFAEEGDSDLEEEAELTLVLAPPKPDRQESVELSVHQRVFNIANELLLTETAYVSKLHLLDQVFCAHLLEEARCRSSFPCDVVQGIFSNICSIYCFHQQFLLPALQKRMEEWDSNPRIGDILQKLAPFLKMYGEYVKNFDRAMELVNIWMERSAPFKAIVQEIQREERCGNLTLQHHMLEPVQRIPRYELLLKDYLNRLPEDAPDHRDAQKSLELIATAAEHSNAAIRKMERMRKLLKVYELLGGEEDIVNPTNELIKEGHILKLSNKNGTTQDRYLILFNDRLLYCVPKLRLIGQKYSVRARIDVDGMELKETSSVAVPSRTFLVSGKQRSLELQARTEEEKKDWIQAIQATIQRHEQTMESFRHLTCTLRDDESTPPHSPSCVELGKRAPTPIREKEVTLCMKCQEPFNSITKRRHHCKACGHVVCGKCSEFRARLSYDNNRTNRVCVDCYVTLVGASPSPGAMSSSSQRRRSILEKQASLAAENSVICSFLHHMEKGGGRGWQKAWFVIPENEPLVLYVYGAPQDVKAQRSVPLIGFEVSPPESCDRLERRHAFKISQSHLTLYFSAEGEELQRRWMDVLSRAGRGEEPLIHLPIVESVEEEGEELDGETEEENT
					

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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	N	33	Very low	40	Very low	194 Å²	194	129.9 Å²	129.9	100%	1.037	77%	0.773	S	S	*	*				0	67.7	0	-51.2	54.8	0	0	0	108
2	D	30.2	Very low	39.5	Very low	133 Å²	133	128.8 Å²	128.8	71%	0.711	77%	0.768	S	S	*	*				93.7	118.1	51.3	-61.8	-39.9	0	0	0	112
3	T	34.2	Very low	39.2	Very low	129 Å²	129	128.7 Å²	128.7	79%	0.791	77%	0.768	S	S	*	*			trans	43.8	130.1	136.5	65.3	0	0	0	0	120.8
4	G	30	Very low	38.7	Very low	65 Å²	65	128.3 Å²	128.3	67%	0.67	77%	0.767	S	S	*	*			trans	-73.2	-160.1	150.4	0	0	0	0	0	111.8
5	P	62.9	Low	38.4	Very low	126 Å²	126	125.1 Å²	125.1	82%	0.818	76%	0.761	S	S	*	*			cis	-121.3	-125.1	6.4	34.8	-11.8	0	0	0	109.6
6	P	59.5	Low	38.6	Very low	103 Å²	103	124.4 Å²	124.4	67%	0.669	76%	0.759	S	S	*	*			cis	-133.9	165	-34.7	33.4	-13.5	0	0	0	117.6
7	E	36.3	Very low	37.9	Very low	175 Å²	175	124.4 Å²	124.4	82%	0.818	75%	0.753	S	S	*	*			trans	57.5	162.7	140.5	-70.6	-158.7	129.8	0	0	127.4
8	L	31.3	Very low	37.3	Very low	152 Å²	152	128.7 Å²	128.7	80%	0.796	75%	0.754	S	S	*	*			trans	92.4	155.6	159.8	-53.6	-174.6	0	0	0	119.5
9	P	51.9	Low	36.8	Very low	106 Å²	106	128.3 Å²	128.3	69%	0.688	75%	0.754	S	S	*	*			cis	-146.1	158.4	-48.9	42.9	-26.7	0	0	0	118.3
10	V	34.7	Very low	36.5	Very low	123 Å²	123	133.4 Å²	133.4	75%	0.745	76%	0.759	S	S	*	*			trans	72.6	114.6	132.2	165.6	0	0	0	0	124.8
11	T	35.9	Very low	37.6	Very low	123 Å²	123	131.6 Å²	131.6	76%	0.755	75%	0.752	S	S	*	*			trans	69.7	159	148.4	61.1	0	0	0	0	121.1
12	T	34	Very low	39	Very low	116 Å²	116	126.9 Å²	126.9	71%	0.712	73%	0.733	S	S	*	*			cis	-157.7	161.3	11.8	-18.2	0	0	0	0	114.3
13	V	35.8	Very low	39.2	Very low	128 Å²	128	127.9 Å²	127.9	78%	0.776	74%	0.737	S	S	*	*			trans	59.7	153.3	161.2	-108.1	0	0	0	0	120.2
14	T	32.7	Very low	39.3	Very low	123 Å²	123	129.5 Å²	129.5	76%	0.755	74%	0.74	S	S	*	*			cis	-151	154.2	0.5	-31.4	0	0	0	0	112.7
15	A	33.7	Very low	39.1	Very low	81 Å²	81	130 Å²	130	67%	0.669	75%	0.745	S	S	*	*			trans	66.4	162.6	152.8	0	0	0	0	0	120.2
16	P	40.9	Very low	39.2	Very low	114 Å²	114	129.8 Å²	129.8	74%	0.74	74%	0.743	S	S	*	*				-119.7	135	-62.8	35	-23.2	0	0	0	111.7
17	N	27	Very low	37.9	Very low	123 Å²	123	134.6 Å²	134.6	66%	0.658	75%	0.754	S	S	*	*				63.5	131.1	67.5	-71.9	-41.4	0	0	0	113.7
18	R	28.4	Very low	38.7	Very low	203 Å²	203	130.9 Å²	130.9	77%	0.766	75%	0.745	S	S	*	*			cis	-167.2	154.3	8.4	-131.4	163.1	-150.4	-160.5	-0.6	115.6
19	T	26.8	Very low	38.6	Very low	121 Å²	121	131.6 Å²	131.6	74%	0.742	74%	0.744	S	S	*	*			trans	57	130.4	152.6	35.4	0	0	0	0	120
20	R	31.3	Very low	37.4	Very low	230 Å²	230	132.3 Å²	132.3	87%	0.868	74%	0.742	S	S	*	*			cis	75.7	160.2	19.1	-130.4	-144.6	-179.7	-157.4	4	113.7
21	P	58.3	Low	36.8	Very low	95 Å²	95	132.7 Å²	132.7	62%	0.617	74%	0.739	S	S	*	*				-124.7	-116.3	-84.8	40.7	-23.4	0	0	0	111.9
22	P	64.1	Low	36.4	Very low	96 Å²	96	133.9 Å²	133.9	62%	0.623	74%	0.736	S	S	*	*				-132.2	-164.5	-56.8	42.7	-26	0	0	0	115.3
23	L	33.7	Very low	36.2	Very low	153 Å²	153	135.1 Å²	135.1	80%	0.801	73%	0.734	S	S	*	*			trans	82.3	149.2	141.5	-77.4	178.4	0	0	0	124
24	L	37.1	Very low	36	Very low	164 Å²	164	136.7 Å²	136.7	86%	0.859	73%	0.733	S	S	*	*			trans	-17.3	151.2	160.7	-59.5	166.3	0	0	0	120.6
25	G	25.8	Very low	35.9	Very low	74 Å²	74	135.4 Å²	135.4	76%	0.763	74%	0.735	S	S	*	*			trans	133.6	144.3	151.9	0	0	0	0	0	115.4
26	P	64.4	Low	35.7	Very low	122 Å²	122	135.1 Å²	135.1	79%	0.792	74%	0.74	S	S	*	*			trans	-116.7	135.2	-173.8	37.8	-26.9	0	0	0	117
27	K	31.2	Very low	35.1	Very low	205 Å²	205	134.1 Å²	134.1	89%	0.891	74%	0.741	S	S	*	*			trans	64.3	168.7	153.4	-85.8	-177.7	178.9	-179.6	0	118.2
28	P	54.8	Low	35.2	Very low	96 Å²	96	136.6 Å²	136.6	62%	0.623	75%	0.751	S	S	*	*			cis	-131.4	-167.7	-26.1	37.3	-18.6	0	0	0	113.2
29	Q	27.5	Very low	35.5	Very low	167 Å²	167	138.1 Å²	138.1	78%	0.78	76%	0.757	S	S	*	*			trans	69.1	155.6	160.2	-65.1	-179.7	-77.2	0	0	117.6
30	D	26.6	Very low	36.7	Very low	121 Å²	121	137.5 Å²	137.5	65%	0.647	76%	0.755	S	S	*	*			cis	-149.6	166.1	-16.8	-123	-41.7	0	0	0	114
31	L	23.1	Very low	36.5	Very low	131 Å²	131	137.3 Å²	137.3	69%	0.686	75%	0.754	S	S	*	*			trans	-8.1	167.7	170.1	-107.1	70	0	0	0	127.2
32	Q	27.5	Very low	34.9	Very low	149 Å²	149	140.8 Å²	140.8	70%	0.696	77%	0.766	S	S	*	*			trans	82.4	102.9	155.8	-110.9	133.8	-16.3	0	0	118.6
33	Q	29.8	Very low	33.2	Very low	142 Å²	142	147.3 Å²	147.3	66%	0.664	78%	0.779	S	S	*	*				86.5	150.3	75.2	-78.6	177.3	28.4	0	0	113.7
34	Q	31.3	Very low	32.9	Very low	160 Å²	160	146.7 Å²	146.7	75%	0.748	78%	0.781	S	S	*	*			cis	-159.1	151.6	26.4	-145.9	167.8	68.9	0	0	114.9
35	A	29.9	Very low	32.7	Very low	97 Å²	97	144.3 Å²	144.3	80%	0.802	78%	0.775	S	S	*	*			trans	58.4	153.6	148.9	0	0	0	0	0	122
36	G	29.3	Very low	33.4	Very low	75 Å²	75	149.9 Å²	149.9	77%	0.773	78%	0.782	S	S	*	*			cis	173.4	-168.8	1.4	0	0	0	0	0	111.6
37	A	30.1	Very low	31.7	Very low	93 Å²	93	153.8 Å²	153.8	77%	0.769	79%	0.786	S	S	*	*			cis	-170.8	171.8	-20.9	0	0	0	0	0	110.1
38	M	28.7	Very low	31.6	Very low	174 Å²	174	149.4 Å²	149.4	86%	0.857	78%	0.781	S	S	*	*			trans	83.2	114.8	-172.6	-54.2	-69.7	-170.5	0	0	114.1
39	R	33.8	Very low	30.9	Very low	235 Å²	235	152.7 Å²	152.7	89%	0.887	79%	0.792	S	S	*	*			cis	89.2	151.6	39.7	-80	-168.2	165.4	-163.7	-1	114.4
40	P	52.5	Low	31.7	Very low	108 Å²	108	150 Å²	150	70%	0.701	79%	0.789	S	S	*	*			cis	-121.8	176	-17.7	33.5	-14.1	0	0	0	111.9
41	R	26.4	Very low	32.4	Very low	226 Å²	226	149.7 Å²	149.7	85%	0.853	79%	0.794	S	S	*	*			cis	-157.4	128.4	46.8	-81.8	-176.8	175.5	-172.4	-1.6	109
42	L	26.2	Very low	33.3	Very low	168 Å²	168	149 Å²	149	88%	0.88	80%	0.797	S	S	*	*				84.5	132.4	86.8	-98.5	168.8	0	0	0	116.4
43	R	27.3	Very low	33.9	Very low	234 Å²	234	147.7 Å²	147.7	88%	0.883	80%	0.802	S	S	*	*			trans	-84.3	162.1	174.8	-67.9	176.2	173.7	165.6	-4.9	112.1
44	V	28.4	Very low	34.3	Very low	140 Å²	140	146.9 Å²	146.9	85%	0.848	81%	0.809	S	S	*	*			trans	-132.3	139.4	145.1	-179.1	0	0	0	0	107.7
45	P	31.7	Very low	34.2	Very low	114 Å²	114	145.6 Å²	145.6	74%	0.74	82%	0.816	S	S	*	*			trans	-96.2	-167.5	-177.6	40	-36.8	0	0	0	112.9
46	E	40.8	Very low	34.4	Very low	191 Å²	191	152.7 Å²	152.7	89%	0.893	82%	0.822	S	S	*	*			trans	-45.8	154	172.4	-65.3	171.5	91.4	0	0	114.5
47	K	28.8	Very low	34.5	Very low	204 Å²	204	154.2 Å²	154.2	89%	0.887	82%	0.819	S	S	*	*			trans	-139.9	137.4	155.7	-139.7	174.1	-173.5	-178.6	0	110.6
48	S	29	Very low	34.6	Very low	113 Å²	113	157.6 Å²	157.6	79%	0.79	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-76.1	154.6	-170.8	44	0	0	0	0	113.9
49	L	41.1	Very low	34.8	Very low	164 Å²	164	155.3 Å²	155.3	86%	0.859	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-71	145.4	157.1	-73.8	167.7	0	0	0	109.6
50	P	43.8	Very low	34.6	Very low	110 Å²	110	148.4 Å²	148.4	71%	0.714	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-79.1	153.2	-172.9	31.8	-36	0	0	0	113.3
51	P	40.3	Very low	33.6	Very low	115 Å²	115	149.7 Å²	149.7	75%	0.747	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-74.2	159.1	170.2	33.1	-35.7	0	0	0	112
52	P	41.5	Very low	34.2	Very low	116 Å²	116	143.5 Å²	143.5	75%	0.753	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-71.6	153.8	175.8	30.6	-35.8	0	0	0	112.7
53	P	41.7	Very low	34.5	Very low	123 Å²	123	146.1 Å²	146.1	80%	0.799	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-72.2	155.4	174.3	31	-35.1	0	0	0	112.4
54	P	37.3	Very low	34.6	Very low	124 Å²	124	138.4 Å²	138.4	81%	0.805	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-91.4	151.4	-168.5	35.5	-36.4	0	0	0	114.7
55	C	29.3	Very low	34.7	Very low	134 Å²	134	136.6 Å²	136.6	91%	0.905	80%	0.796	S	S	*	*			trans	-125.4	157.4	161	-84.9	0	0	0	0	111
56	R	33.7	Very low	34.4	Very low	246 Å²	246	143.1 Å²	143.1	93%	0.928	81%	0.806	S	S	*	*			trans	-98.2	172.2	-168.8	-101.1	-171.2	172.9	-164.1	-1.2	113.2
57	P	31.8	Very low	33.8	Very low	107 Å²	107	140.1 Å²	140.1	70%	0.695	80%	0.801	S	S	*	*			trans	-97.2	165.3	-148.1	38.1	-39.6	0	0	0	117.5
58	L	32.1	Very low	34.3	Very low	163 Å²	163	136 Å²	136	85%	0.853	80%	0.795	S	S	*	*			trans	25.7	131	143.9	-59.3	177	0	0	0	119.5
59	P	34.3	Very low	34.3	Very low	126 Å²	126	136.5 Å²	136.5	82%	0.818	80%	0.796	S	S	*	*				-138.8	171.5	82.2	37	-23.5	0	0	0	113.8
60	A	27.8	Very low	33.7	Very low	91 Å²	91	136.6 Å²	136.6	75%	0.752	80%	0.797	S	S	*	*			cis	-160.8	166	-19.9	0	0	0	0	0	109.2
61	D	32.5	Very low	33.3	Very low	134 Å²	134	141 Å²	141	72%	0.717	81%	0.808	S	S	*	*			trans	-73	157.4	176.3	179.9	49.5	0	0	0	112.9	R63	D61-R63 PolarHBondContact OD1-N 2.89Å; D61-R63 PolarHBondContact OD2-N 3.03Å
62	P	39.7	Very low	32.7	Very low	97 Å²	97	140.1 Å²	140.1	63%	0.63	81%	0.81	S	S	*	*				-143.6	109.7	115.5	35.9	-20.3	0	0	0	117.4
63	R	31.8	Very low	32.2	Very low	222 Å²	222	141.8 Å²	141.8	84%	0.838	81%	0.813	S	S	*	*			trans	82.5	104.8	140.7	-62.7	174.5	-74.8	-144.9	-3.9	118.8	D61	D61-R63 PolarHBondContact OD1-N 2.89Å; D61-R63 PolarHBondContact OD2-N 3.03Å
64	G	28.7	Very low	31.7	Very low	73 Å²	73	140.3 Å²	140.3	75%	0.753	82%	0.82	S	S	*	*			trans	-168.3	54.6	163.8	0	0	0	0	0	113.2	W66	G64-W66 PolarHBondContact O-N 3.18Å
65	A	30.1	Very low	31.4	Very low	102 Å²	102	140.6 Å²	140.6	84%	0.843	82%	0.82	S	S	*	*			trans	-74.6	119.9	-167.9	0	0	0	0	0	114.3
66	W	27	Very low	31.7	Very low	250 Å²	250	139.1 Å²	139.1	95%	0.947	82%	0.817	S	S	*	*			trans	-139.5	130.3	164.9	-85.7	76.5	0	0	0	110.7	G64	G64-W66 PolarHBondContact O-N 3.18Å
67	T	28.3	Very low	31.5	Very low	128 Å²	128	131.1 Å²	131.1	79%	0.785	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-95.5	152.1	168.7	37.3	0	0	0	0	111.2
68	P	37.7	Very low	31.7	Very low	117 Å²	117	130 Å²	130	76%	0.76	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-91.2	159.7	-168.3	36.7	-37.3	0	0	0	114.3
69	P	30.5	Very low	31.9	Very low	124 Å²	124	126.6 Å²	126.6	81%	0.805	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-100.8	171.3	148.7	36.1	-29	0	0	0	112.3
70	N	27.4	Very low	31.9	Very low	166 Å²	166	124.7 Å²	124.7	89%	0.888	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-81.3	173.5	-169.7	-74.7	-35.6	0	0	0	115.5
71	Q	36.8	Very low	32.5	Very low	203 Å²	203	122.4 Å²	122.4	95%	0.949	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-50	140.8	165.7	-64.5	168.4	-38	0	0	112.8
72	A	27.6	Very low	32.8	Very low	96 Å²	96	120.9 Å²	120.9	79%	0.793	74%	0.735	S	S	*	*			trans	-151	156.7	159.6	0	0	0	0	0	108.7
73	D	31	Very low	32.8	Very low	151 Å²	151	119 Å²	119	81%	0.807	72%	0.724	S	S	*	*			trans	-71.1	155.7	-165.7	-62.5	-79.8	0	0	0	115.7	T75	D73-T75 VanDerWaalsContact C-N 3.31Å; D73-T75 PolarHBondContact O-N 3.13Å
74	G	30.5	Very low	33.2	Very low	93 Å²	93	113.3 Å²	113.3	96%	0.959	71%	0.709	S	S	*	*			trans	-70	72.8	-173.2	0	0	0	0	0	115.1
75	T	30.9	Very low	33.9	Very low	129 Å²	129	111.6 Å²	111.6	79%	0.791	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-91.9	144.8	165.1	44.5	0	0	0	0	110.9	D73 S77	D73-T75 VanDerWaalsContact C-N 3.31Å; D73-T75 PolarHBondContact O-N 3.13Å; T75-S77 PolarHBondContact O-N 2.62Å
76	A	34.8	Very low	34.4	Very low	103 Å²	103	111.6 Å²	111.6	85%	0.851	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-70.6	121.3	179	0	0	0	0	0	110.6
77	S	29.9	Very low	34.9	Very low	78 Å²	78	106.4 Å²	106.4	55%	0.545	65%	0.649	S	S	.	*	P	Polyproline II helix	trans	-69.7	135.6	-172.5	-174.2	0	0	0	0	113.1	T75 T79	T75-S77 PolarHBondContact O-N 2.62Å; S77-T79 PolarHBondContact O-N 3.08Å; S77-T79 PolarHBondContact OG-OG1 3.03Å
78	P	36.4	Very low	35.5	Very low	83 Å²	83	107.9 Å²	107.9	54%	0.539	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.7	-10.1	179.2	27.4	-36.1	0	0	0	114.4	C80 V81 L82	P78-C80 PolarHBondContact O-N 2.92Å; P78-C80 VanDerWaalsContact O-N 3.09Å; P78-V81 PolarHBondContact O-N 2.94Å; P78-V81 VanDerWaalsContact O-N 3.1Å; P78-L82 PolarHBondContact O-N 3Å
79	T	35.7	Very low	35.7	Very low	93 Å²	93	109.2 Å²	109.2	57%	0.571	64%	0.641	S	S	*	*	H	α-helix	trans	-53.4	-31.2	-177.8	-41.7	0	0	0	0	113.8	S77 S83	S77-T79 PolarHBondContact O-N 3.08Å; S77-T79 PolarHBondContact OG-OG1 3.03Å; T79-S83 PolarHBondContact O-N 2.98Å; T79-S83 VanDerWaalsContact O-N 3.07Å
80	C	34.8	Very low	36.1	Very low	85 Å²	85	112 Å²	112	57%	0.574	64%	0.635	S	S	*	*	H	α-helix	trans	-68.7	-37.4	-179.9	-165.6	0	0	0	0	112.9	P78 S83 L84	P78-C80 PolarHBondContact O-N 2.92Å; P78-C80 VanDerWaalsContact O-N 3.09Å; C80-S83 PolarHBondContact O-N 2.96Å; C80-S83 PolarHBondContact O-OG 3.34Å; C80-L84 PolarHBondContact O-N 2.9Å
81	V	40.4	Very low	36.3	Very low	43 Å²	43	111 Å²	111	26%	0.261	63%	0.626	S	S	.	*	H	α-helix	trans	-73.9	-39.9	179.9	-178.8	0	0	0	0	110.5	P78 S83 L84 I85	P78-V81 PolarHBondContact O-N 2.94Å; P78-V81 VanDerWaalsContact O-N 3.1Å; V81-S83 VanDerWaalsContact C-N 3.33Å; V81-S83 PolarHBondContact O-N 3.46Å; V81-L84 PolarHBondContact O-N 2.91Å; V81-I85 HydrophobicContact CG1-CD1 4.31Å; V81-I85 WeakPolarHBondContact O-CG1 3.37Å; V81-I85 PolarHBondContact O-N 2.6Å; V81-I85 VanDerWaalsContact O-N 3.12Å
82	L	39.2	Very low	35.9	Very low	103 Å²	103	109.7 Å²	109.7	54%	0.539	62%	0.62	S	S	.	*	H	α-helix	trans	-62.3	-39	174	-66.7	175.2	0	0	0	111.9	P78 L84 I85 E86	P78-L82 PolarHBondContact O-N 3Å; L82-L84 VanDerWaalsContact C-N 3.32Å; L82-L84 PolarHBondContact O-N 2.85Å; L82-I85 PolarHBondContact O-N 3.35Å; L82-E86 PolarHBondContact O-N 3.43Å
83	S	40.4	Very low	36.2	Very low	57 Å²	57	112.4 Å²	112.4	40%	0.399	62%	0.619	S	S	.	*	H	α-helix	trans	-68.9	-28.6	177.2	77.2	0	0	0	0	113.3	T79 C80 V81 K87	T79-S83 PolarHBondContact O-N 2.98Å; T79-S83 VanDerWaalsContact O-N 3.07Å; C80-S83 PolarHBondContact O-N 2.96Å; C80-S83 PolarHBondContact O-OG 3.34Å; V81-S83 VanDerWaalsContact C-N 3.33Å; V81-S83 PolarHBondContact O-N 3.46Å; S83-K87 WeakPolarHBondContact O-CB 3.47Å; S83-K87 PolarHBondContact O-N 2.89Å
84	L	38.5	Very low	36	Very low	102 Å²	102	112.5 Å²	112.5	53%	0.534	62%	0.618	S	S	.	*	H	α-helix	trans	-69.3	-38.2	171	-74.7	166.5	0	0	0	112	C80 V81 L82 F88	C80-L84 PolarHBondContact O-N 2.9Å; V81-L84 PolarHBondContact O-N 2.91Å; L82-L84 VanDerWaalsContact C-N 3.32Å; L82-L84 PolarHBondContact O-N 2.85Å; L84-F88 PolarHBondContact O-N 2.82Å; L84-F88 VanDerWaalsContact O-N 3.09Å
85	I	45	Very low	35.9	Very low	38 Å²	38	114.2 Å²	114.2	20%	0.195	61%	0.609	C	S	.	*	H	α-helix	trans	-65.9	-53.6	174.8	-64.7	164.9	0	0	0	110.2	V81 L82 K87 F88 E89 F348	V81-I85 HydrophobicContact CG1-CD1 4.31Å; V81-I85 WeakPolarHBondContact O-CG1 3.37Å; V81-I85 PolarHBondContact O-N 2.6Å; V81-I85 VanDerWaalsContact O-N 3.12Å; L82-I85 PolarHBondContact O-N 3.35Å; I85-K87 PolarHBondContact O-N 2.9Å; I85-F88 PolarHBondContact O-N 2.93Å; I85-E89 HydrophobicContact CG2-CG 4.38Å; I85-E89 WeakPolarHBondContact O-CG 3.36Å; I85-E89 PolarHBondContact O-N 3.2Å; I85-F348 HydrophobicContact CG1-CE1 4.28Å
86	E	40.2	Very low	35.7	Very low	101 Å²	101	113.7 Å²	113.7	47%	0.472	61%	0.606	S	S	.	*	H	α-helix	trans	-56.2	-34.8	176.8	-77.2	-160	109.9	0	0	113	L82 R90	L82-E86 PolarHBondContact O-N 3.43Å; E86-R90 WeakPolarHBondContact O-CG 3.41Å; E86-R90 PolarHBondContact O-N 2.83Å; E86-R90 IonicContact OE1-NH2 3.21Å; E86-R90 PolarHBondContact OE1-NH2 3.5Å; E86-R90 VanDerWaalsContact OE1-NH2 3.13Å; E86-R90 IonicContact OE2-NH2 2.72Å
87	K	37.9	Very low	35.6	Very low	141 Å²	141	113.7 Å²	113.7	61%	0.613	60%	0.597	S	S	*	*	H	α-helix	trans	-73.1	-35.1	179.4	-169.7	176	-177.2	-174.1	0	111.9	S83 I85	S83-K87 WeakPolarHBondContact O-CB 3.47Å; S83-K87 PolarHBondContact O-N 2.89Å; I85-K87 PolarHBondContact O-N 2.9Å
88	F	39.7	Very low	35.6	Very low	160 Å²	160	117.9 Å²	117.9	70%	0.702	61%	0.614	S	S	*	*	H	α-helix	trans	-74.5	-34.5	175.2	-147.7	-95.3	0	0	0	112	L84 I85 R90 E91	L84-F88 PolarHBondContact O-N 2.82Å; L84-F88 VanDerWaalsContact O-N 3.09Å; I85-F88 PolarHBondContact O-N 2.93Å; F88-R90 PolarHBondContact O-N 2.9Å; F88-E91 PolarHBondContact O-N 2.83Å
89	E	42.7	Very low	35.3	Very low	145 Å²	145	121.6 Å²	121.6	68%	0.678	63%	0.627	S	S	*	*	H	α-helix	trans	-68.7	-16.9	176	-72	-180	159.8	0	0	113.9	I85	I85-E89 HydrophobicContact CG2-CG 4.38Å; I85-E89 WeakPolarHBondContact O-CG 3.36Å; I85-E89 PolarHBondContact O-N 3.2Å
90	R	37.5	Very low	35.1	Very low	181 Å²	181	124 Å²	124	68%	0.683	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-17.4	178.8	-73.8	177.8	-164.9	172.2	13.2	114.8	E86 F88 Q92	E86-R90 WeakPolarHBondContact O-CG 3.41Å; E86-R90 PolarHBondContact O-N 2.83Å; E86-R90 IonicContact OE1-NH2 3.21Å; E86-R90 PolarHBondContact OE1-NH2 3.5Å; E86-R90 VanDerWaalsContact OE1-NH2 3.13Å; E86-R90 IonicContact OE2-NH2 2.72Å; F88-R90 PolarHBondContact O-N 2.9Å; R90-Q92 PolarHBondContact O-N 3.2Å
91	E	33	Very low	34.7	Very low	146 Å²	146	123.9 Å²	123.9	68%	0.682	66%	0.655	S	S	*	*			trans	-89.4	75.7	178.1	-71	-172.8	-174.6	0	0	111.2	F88 I93	F88-E91 PolarHBondContact O-N 2.83Å; E91-I93 PolarHBondContact O-N 2.89Å; E91-I93 VanDerWaalsContact O-N 3.08Å
92	Q	28.9	Very low	34	Very low	176 Å²	176	125.5 Å²	125.5	82%	0.822	68%	0.681	S	S	*	*			trans	-65.4	107.1	169.3	-72.8	-169.3	-0.9	0	0	110.5	R90 I94	R90-Q92 PolarHBondContact O-N 3.2Å; Q92-I94 PolarHBondContact O-N 3Å
93	I	32	Very low	33.4	Very low	152 Å²	152	125.3 Å²	125.3	78%	0.779	69%	0.694	S	S	*	*			trans	-64.2	119.2	169.4	-61.8	173.4	0	0	0	108.4	E91 V95	E91-I93 PolarHBondContact O-N 2.89Å; E91-I93 VanDerWaalsContact O-N 3.08Å; I93-V95 PolarHBondContact O-N 2.88Å; I93-V95 VanDerWaalsContact O-N 3.08Å
94	I	27.6	Very low	32.8	Very low	153 Å²	153	131 Å²	131	79%	0.785	72%	0.719	S	S	*	*			trans	-69.7	105.7	176.2	-59.8	175.5	0	0	0	108.6	Q92 V96	Q92-I94 PolarHBondContact O-N 3Å; I94-V96 HydrophobicContact CG2-CG2 4.27Å; I94-V96 PolarHBondContact O-N 2.94Å
95	V	28.7	Very low	32.2	Very low	129 Å²	129	132 Å²	132	78%	0.782	73%	0.733	S	S	*	*			trans	-80.6	111.8	172.1	-177.7	0	0	0	0	108.8	I93	I93-V95 PolarHBondContact O-N 2.88Å; I93-V95 VanDerWaalsContact O-N 3.08Å
96	V	26.9	Very low	31.5	Very low	119 Å²	119	136.3 Å²	136.3	72%	0.721	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-92.8	127	168.6	-176.7	0	0	0	0	108.1	I94	I94-V96 HydrophobicContact CG2-CG2 4.27Å; I94-V96 PolarHBondContact O-N 2.94Å
97	P	33.2	Very low	31.1	Very low	103 Å²	103	142.9 Å²	142.9	67%	0.669	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-81.2	138.5	177.7	31.9	-33.5	0	0	0	111.8
98	D	29.5	Very low	31.5	Very low	166 Å²	166	141.2 Å²	141.2	89%	0.888	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-66.3	144.8	171.3	-85.2	-53.5	0	0	0	112.3
99	I	29.9	Very low	30.7	Very low	160 Å²	160	141.4 Å²	141.4	82%	0.821	80%	0.795	S	S	*	*			trans	-132	125.4	167.8	-57.6	-179.8	0	0	0	108.5
100	T	30.6	Very low	30.2	Very low	144 Å²	144	141.7 Å²	141.7	88%	0.883	80%	0.801	S	S	*	*			trans	-92.4	135.8	-177.6	38.9	0	0	0	0	112.9
101	G	26.7	Very low	30.2	Very low	83 Å²	83	138.7 Å²	138.7	86%	0.856	81%	0.805	S	S	*	*			trans	147.5	124	156.7	0	0	0	0	0	118.2
102	G	25.3	Very low	30.6	Very low	77 Å²	77	137.4 Å²	137.4	79%	0.794	81%	0.81	S	S	*	*				105.6	45.4	119.9	0	0	0	0	0	123.1
103	A	28	Very low	30.7	Very low	98 Å²	98	134.1 Å²	134.1	81%	0.81	81%	0.806	S	S	*	*			trans	62.3	164.3	137.8	0	0	0	0	0	123.6
104	L	26.6	Very low	31.1	Very low	176 Å²	176	132.9 Å²	132.9	92%	0.921	81%	0.808	S	S	*	*			trans	79.5	130.2	166.3	-62.4	171.3	0	0	0	120
105	C	26	Very low	31.1	Very low	124 Å²	124	134.2 Å²	134.2	84%	0.838	81%	0.811	S	S	*	*			trans	-95.9	166.4	175.6	-52.5	0	0	0	0	111.6
106	P	31.6	Very low	31	Very low	129 Å²	129	133.4 Å²	133.4	84%	0.838	81%	0.811	S	S	*	*				-143.7	167.2	102.3	38	-24	0	0	0	116.4
107	R	29.8	Very low	30.9	Very low	239 Å²	239	133.6 Å²	133.6	90%	0.902	82%	0.818	S	S	*	*			trans	-92.4	-179	165.2	-88.5	-178.6	168.3	-175.9	-4.5	110.2
108	P	46.3	Very low	30.6	Very low	106 Å²	106	134 Å²	134	69%	0.688	82%	0.823	S	S	*	*			cis	-131.6	179.1	-6.2	29.5	-7.7	0	0	0	114.8
109	L	24.7	Very low	31.7	Very low	164 Å²	164	131.6 Å²	131.6	86%	0.859	82%	0.816	S	S	*	*				164	132.9	119.1	-87.2	165.8	0	0	0	114.1
110	D	31.9	Very low	32.1	Very low	150 Å²	150	129.1 Å²	129.1	80%	0.802	81%	0.81	S	S	*	*			trans	-91.3	-176.9	161.9	-59.3	-75	0	0	0	109.7
111	P	37.8	Very low	31.9	Very low	118 Å²	118	127.7 Å²	127.7	77%	0.766	81%	0.806	S	S	*	*			cis	-138.2	-143	7.5	46.8	-26	0	0	0	111.5
112	P	40.2	Very low	32.1	Very low	120 Å²	120	128.8 Å²	128.8	78%	0.779	80%	0.801	S	S	*	*			cis	-128.4	-173.9	-22.9	40.2	-23	0	0	0	114.6
113	S	32	Very low	32.2	Very low	106 Å²	106	130 Å²	130	74%	0.741	80%	0.803	S	S	*	*			trans	-101.5	171.9	169.3	58.6	0	0	0	0	113.4
114	P	40.5	Very low	32.2	Very low	127 Å²	127	130.7 Å²	130.7	83%	0.825	80%	0.802	S	S	*	*				-144.8	178.6	127.5	38.9	-24.7	0	0	0	115.1
115	Q	26	Very low	32.5	Very low	181 Å²	181	128.5 Å²	128.5	85%	0.846	80%	0.799	S	S	*	*			trans	-128.5	167.5	177.4	-74.3	-171.3	-10	0	0	113.3
116	S	28.3	Very low	32.7	Very low	111 Å²	111	127.1 Å²	127.1	78%	0.776	80%	0.796	S	S	*	*			trans	83.9	128.8	149.8	78.7	0	0	0	0	120.9
117	S	24.7	Very low	33.2	Very low	124 Å²	124	125.9 Å²	125.9	87%	0.867	79%	0.788	S	S	*	*			trans	164.3	163.7	133.9	47.7	0	0	0	0	112
118	S	26.2	Very low	33.5	Very low	111 Å²	111	120.6 Å²	120.6	78%	0.776	78%	0.784	S	S	*	*			trans	-165.5	-176.5	-179.3	61.2	0	0	0	0	110.1
119	P	51.9	Low	32.6	Very low	115 Å²	115	123.5 Å²	123.5	75%	0.747	79%	0.789	S	S	*	*				-101.4	-164.1	-54.8	39.9	-27.4	0	0	0	110.5
120	P	39.5	Very low	32.8	Very low	108 Å²	108	123.8 Å²	123.8	70%	0.701	79%	0.79	S	S	*	*				-158.5	177.9	86.2	42.4	-22.3	0	0	0	117.7
121	S	27.1	Very low	32.4	Very low	115 Å²	115	120.5 Å²	120.5	80%	0.804	79%	0.792	S	S	*	*			trans	69.6	146.1	155	-65.4	0	0	0	0	119.7
122	S	29.2	Very low	31.9	Very low	106 Å²	106	118.8 Å²	118.8	74%	0.741	80%	0.796	S	S	*	*			cis	-167.7	154.9	-7.1	49.5	0	0	0	0	113.6
123	A	27.9	Very low	31.2	Very low	102 Å²	102	117.9 Å²	117.9	84%	0.843	80%	0.798	S	S	*	*			trans	74.6	146	154.6	0	0	0	0	0	120.9
124	S	28.7	Very low	30.9	Very low	112 Å²	112	121.6 Å²	121.6	78%	0.783	80%	0.804	S	S	*	*			trans	-101	177.6	-178	-41.4	0	0	0	0	112.8
125	P	32.9	Very low	31.5	Very low	131 Å²	131	120.5 Å²	120.5	85%	0.851	80%	0.797	S	S	*	*				-127.9	171.8	117.5	37.5	-33.1	0	0	0	114.1
126	A	30.4	Very low	31.8	Very low	94 Å²	94	117.6 Å²	117.6	78%	0.777	79%	0.794	S	S	*	*			trans	-117.2	175	-175.5	0	0	0	0	0	111.2
127	P	41.1	Very low	31.8	Very low	104 Å²	104	116.8 Å²	116.8	68%	0.675	79%	0.788	S	S	*	*			trans	-90.6	167.8	-164.2	37.5	-36.9	0	0	0	114.4
128	P	35.7	Very low	31.8	Very low	127 Å²	127	117.9 Å²	117.9	83%	0.825	78%	0.784	S	S	*	*			trans	-77.3	148.1	160.6	33.4	-33.4	0	0	0	111.6
129	Q	27.8	Very low	31.8	Very low	168 Å²	168	120 Å²	120	79%	0.785	79%	0.786	S	S	*	*			trans	-142.4	154.3	170.4	-87.5	-155.2	-1.5	0	0	113
130	L	29	Very low	30.6	Very low	169 Å²	169	119.8 Å²	119.8	89%	0.885	78%	0.783	S	S	*	*			trans	68.6	139.7	153.1	-107.1	74	0	0	0	122.1
131	G	24.7	Very low	30	Very low	81 Å²	81	123.4 Å²	123.4	84%	0.835	79%	0.79	S	S	*	*			trans	148.9	113.6	169.8	0	0	0	0	0	110.2
132	G	26.2	Very low	30	Very low	82 Å²	82	125.9 Å²	125.9	85%	0.845	79%	0.789	S	S	*	*			cis	142.7	84.4	-8	0	0	0	0	0	112.8
133	A	25.3	Very low	29.9	Very low	101 Å²	101	128.5 Å²	128.5	84%	0.835	80%	0.795	S	S	*	*			trans	-163.4	143.1	170.9	0	0	0	0	0	112.6
134	E	25.9	Very low	29.7	Very low	185 Å²	185	129.3 Å²	129.3	86%	0.864	79%	0.785	S	S	*	*			trans	-107.7	-163.7	155	-63.4	-169.5	115.1	0	0	108.7
135	P	53	Low	29.7	Very low	104 Å²	104	131.7 Å²	131.7	68%	0.675	79%	0.787	S	S	*	*				-116.8	177.6	-88.9	38	-23.1	0	0	0	112.9
136	P	33.1	Very low	29.3	Very low	120 Å²	120	129.8 Å²	129.8	78%	0.779	77%	0.773	S	S	*	*				-132.6	155.2	116.1	32.9	-21.3	0	0	0	111.3
137	S	26.6	Very low	29.1	Very low	94 Å²	94	134.4 Å²	134.4	66%	0.657	78%	0.779	S	S	*	*			cis	88.8	120.6	35	-55.6	0	0	0	0	115.2
138	D	25.7	Very low	28.4	Very low	147 Å²	147	132.7 Å²	132.7	79%	0.786	78%	0.78	S	S	*	*			trans	79.9	152	153	-60.5	-38.9	0	0	0	123.4
139	L	25.7	Very low	28	Very low	155 Å²	155	130.9 Å²	130.9	81%	0.812	78%	0.776	S	S	*	*			trans	75.5	138.2	169.3	-48.9	-172.3	0	0	0	117.9
140	T	26.1	Very low	27.9	Very low	111 Å²	111	131.7 Å²	131.7	68%	0.681	78%	0.78	S	S	*	*			cis	166.7	-173.6	-35.7	36.5	0	0	0	0	106.1
141	E	27.3	Very low	28	Very low	183 Å²	183	129.2 Å²	129.2	86%	0.855	77%	0.772	S	S	*	*			trans	73.2	106.3	-178.2	-52.3	-178.7	159.4	0	0	112.6
142	Q	27.3	Very low	28.1	Very low	168 Å²	168	133.1 Å²	133.1	79%	0.785	77%	0.773	S	S	*	*			cis	76.1	97.7	12.4	-161.8	178.8	6.8	0	0	116.8
143	D	27	Very low	28.2	Very low	160 Å²	160	132.4 Å²	132.4	86%	0.856	77%	0.766	S	S	*	*			trans	-175.5	120.4	150	-94.4	-21.6	0	0	0	104.5
144	D	25.2	Very low	28.3	Very low	120 Å²	120	137.2 Å²	137.2	64%	0.642	77%	0.768	S	S	*	*			cis	89	163.7	29.7	-141.9	-27.2	0	0	0	114.1	T146	D144-T146 PolarHBondContact OD1-OG1 2.71Å
145	I	26.9	Very low	28.4	Very low	161 Å²	161	136.3 Å²	136.3	83%	0.826	77%	0.768	S	S	*	*			trans	75.9	102	-165	-49.7	173.1	0	0	0	113.1
146	T	25.5	Very low	27.3	Very low	91 Å²	91	135.4 Å²	135.4	56%	0.558	77%	0.77	S	S	*	*			cis	100.9	128.7	14.1	-56.3	0	0	0	0	116	D144	D144-T146 PolarHBondContact OD1-OG1 2.71Å
147	Q	26.9	Very low	27.1	Very low	191 Å²	191	136.3 Å²	136.3	89%	0.893	77%	0.768	S	S	*	*			trans	70.4	146.8	170.3	-71.9	155.5	31.7	0	0	119.4
148	G	24.8	Very low	27.3	Very low	69 Å²	69	142.1 Å²	142.1	71%	0.711	78%	0.776	S	S	*	*			cis	172.9	176.2	-8.4	0	0	0	0	0	115.9
149	A	27.6	Very low	27.4	Very low	88 Å²	88	141 Å²	141	73%	0.727	77%	0.77	S	S	*	*			trans	66.4	115	157.2	0	0	0	0	0	119.2
150	E	27.2	Very low	27.7	Very low	185 Å²	185	139.1 Å²	139.1	86%	0.864	77%	0.769	S	S	*	*				88.5	153.2	86.2	-79.6	-175.9	146.8	0	0	113.8
151	T	29.1	Very low	27.7	Very low	118 Å²	118	137.4 Å²	137.4	72%	0.724	77%	0.774	S	S	*	*			cis	-141.8	151.4	2.7	46.3	0	0	0	0	112.4
152	D	28.2	Very low	27.8	Very low	162 Å²	162	136.3 Å²	136.3	87%	0.866	77%	0.772	S	S	*	*			trans	44.8	155.3	137.8	-157.2	16.2	0	0	0	123
153	G	27.8	Very low	27.9	Very low	67 Å²	67	134.5 Å²	134.5	69%	0.691	77%	0.768	S	S	*	*			trans	-175.6	-8.7	-177.4	0	0	0	0	0	123.2
154	K	27.1	Very low	28	Very low	202 Å²	202	131.3 Å²	131.3	88%	0.878	76%	0.758	S	S	*	*			trans	64.2	145.8	160.8	-148.8	165.5	-170.6	166.6	0	122.1
155	L	28.3	Very low	28.1	Very low	166 Å²	166	133.1 Å²	133.1	87%	0.869	77%	0.766	S	S	*	*			trans	-69.9	155.7	-178	-59.1	149.5	0	0	0	116.1
156	A	30.3	Very low	28.1	Very low	86 Å²	86	130.9 Å²	130.9	71%	0.711	77%	0.765	S	S	*	*				175.8	132.4	115.4	0	0	0	0	0	117.6
157	N	28	Very low	28.2	Very low	139 Å²	139	132 Å²	132	74%	0.743	78%	0.776	S	S	*	*			trans	58	124.6	133.6	-67.3	-14.9	0	0	0	125.9
158	R	32.5	Very low	28.8	Very low	216 Å²	216	129 Å²	129	82%	0.815	77%	0.774	S	S	*	*				71.3	161	123.9	-66.3	178.8	103.9	155.2	5.1	120.2
159	D	27	Very low	29.1	Very low	124 Å²	124	131.2 Å²	131.2	66%	0.663	78%	0.778	S	S	*	*			cis	-175.9	163.7	-27.6	-168.1	6	0	0	0	108.2
160	S	31	Very low	29.1	Very low	114 Å²	114	135.7 Å²	135.7	80%	0.797	78%	0.783	S	S	*	*			trans	66.8	147	167.1	-60.6	0	0	0	0	120.5
161	G	27.3	Very low	29.3	Very low	76 Å²	76	130.8 Å²	130.8	78%	0.784	77%	0.77	S	S	*	*			trans	151.4	111.6	167.6	0	0	0	0	0	113.5
162	I	30.1	Very low	29.4	Very low	159 Å²	159	133.5 Å²	133.5	82%	0.815	77%	0.774	S	S	*	*			trans	-132.1	167.4	-176.1	55.5	176.6	0	0	0	112.7
163	D	28.3	Very low	29.4	Very low	131 Å²	131	134.2 Å²	134.2	70%	0.701	77%	0.772	S	S	*	*			trans	82.2	102.2	160.2	-75.7	-57.2	0	0	0	122.8
164	S	29	Very low	29.4	Very low	92 Å²	92	139.4 Å²	139.4	64%	0.643	78%	0.783	S	S	*	*				72.6	115	106	-57.8	0	0	0	0	123
165	I	28.4	Very low	29.4	Very low	159 Å²	159	135 Å²	135	82%	0.815	78%	0.777	S	S	*	*			trans	54	129.6	142.4	71.5	-177.7	0	0	0	122.5
166	S	25.7	Very low	29.1	Very low	113 Å²	113	136.9 Å²	136.9	79%	0.79	78%	0.778	S	S	*	*				175.5	155.2	112.3	-76.6	0	0	0	0	113.6
167	S	28.6	Very low	29.1	Very low	114 Å²	114	139 Å²	139	80%	0.797	78%	0.782	S	S	*	*			trans	-100.8	172.7	165.9	-52	0	0	0	0	110.9
168	P	38.4	Very low	28.9	Very low	130 Å²	130	136.2 Å²	136.2	84%	0.844	79%	0.787	S	S	*	*			trans	-132.2	166.2	145.5	36.7	-24.9	0	0	0	114.6
169	S	31.5	Very low	28.6	Very low	114 Å²	114	132.3 Å²	132.3	80%	0.797	79%	0.787	S	S	*	*			trans	-128.4	174.9	-175.7	-51	0	0	0	0	111.3
170	H	28.2	Very low	28.6	Very low	182 Å²	182	133.7 Å²	133.7	84%	0.843	79%	0.794	S	S	*	*			trans	171.7	165.2	153.1	-109.8	-120	0	0	0	107.4
171	S	31.7	Very low	28.4	Very low	82 Å²	82	136 Å²	136	57%	0.573	80%	0.797	S	S	*	*			cis	-177.5	173.3	-26.7	59.4	0	0	0	0	106.9
172	E	30.8	Very low	28.2	Very low	176 Å²	176	135.4 Å²	135.4	82%	0.822	79%	0.792	S	S	*	*			cis	-136.1	-159.6	4	-65.4	172.9	-142.9	0	0	109.2
173	E	27.1	Very low	27.8	Very low	176 Å²	176	131.5 Å²	131.5	82%	0.822	79%	0.79	S	S	*	*			trans	-130.6	174.2	172.6	-60.3	-179.3	114.2	0	0	110.8
174	L	27.5	Very low	27.6	Very low	176 Å²	176	131.7 Å²	131.7	92%	0.921	80%	0.796	S	S	*	*				-179	160	124.9	-97.8	171.3	0	0	0	112.8
175	C	28.7	Very low	27.3	Very low	110 Å²	110	132 Å²	132	74%	0.743	80%	0.804	S	S	*	*			trans	-130.3	154	-170.9	-60.9	0	0	0	0	112.7
176	F	22	Very low	27.1	Very low	205 Å²	205	134.7 Å²	134.7	90%	0.899	81%	0.805	S	S	*	*			trans	-157.7	166.5	151.2	-130.6	-89.1	0	0	0	112.5
177	T	28.5	Very low	27.6	Very low	130 Å²	130	134.9 Å²	134.9	80%	0.798	80%	0.804	S	S	*	*			trans	-118.3	151	-173.4	51.6	0	0	0	0	112.8
178	G	25.5	Very low	27.3	Very low	81 Å²	81	135 Å²	135	84%	0.835	80%	0.803	S	S	*	*			trans	-174.1	133.3	177.1	0	0	0	0	0	115.8
179	V	26.3	Very low	26.6	Very low	134 Å²	134	133.8 Å²	133.8	81%	0.812	80%	0.798	S	S	*	*			trans	-80.5	148.6	-166.5	-124	0	0	0	0	117
180	D	26.2	Very low	26.6	Very low	153 Å²	153	134.1 Å²	134.1	82%	0.818	80%	0.797	S	S	*	*			trans	66.1	149.7	134.6	-99	-49.1	0	0	0	128.3
181	D	25.8	Very low	26.5	Very low	162 Å²	162	129.4 Å²	129.4	87%	0.866	79%	0.79	S	S	*	*			trans	64.1	151	153.1	-155.2	30.2	0	0	0	124
182	G	23.7	Very low	26.4	Very low	65 Å²	65	133.6 Å²	133.6	67%	0.67	81%	0.805	S	S	*	*			trans	125.5	106.5	160.5	0	0	0	0	0	117.9
183	G	22.5	Very low	26.4	Very low	76 Å²	76	132.2 Å²	132.2	78%	0.784	80%	0.803	S	S	*	*			trans	-92	-161.6	163.6	0	0	0	0	0	113.1
184	V	24.1	Very low	26.5	Very low	136 Å²	136	129.6 Å²	129.6	82%	0.824	80%	0.801	S	S	*	*			cis	-160.9	142.8	7.9	174.1	0	0	0	0	108.9
185	A	23.3	Very low	26.6	Very low	97 Å²	97	131.9 Å²	131.9	80%	0.802	80%	0.797	S	S	*	*			trans	-170.9	153.1	151.3	0	0	0	0	0	114.3
186	Y	22.8	Very low	26.5	Very low	216 Å²	216	134.3 Å²	134.3	85%	0.847	80%	0.802	S	S	*	*			trans	-115.9	-176.8	176.3	-74.5	-91.9	0	0	0	110.3
187	P	36.3	Very low	26.6	Very low	117 Å²	117	128.7 Å²	128.7	76%	0.76	79%	0.789	S	S	*	*			cis	-119.6	-162.5	-7.3	36.5	-15.5	0	0	0	111.3
188	C	22.3	Very low	26.4	Very low	116 Å²	116	128.3 Å²	128.3	78%	0.784	79%	0.791	S	S	*	*			cis	-159.8	163.5	18.1	-154	0	0	0	0	112.4
189	S	24.4	Very low	26.4	Very low	106 Å²	106	130.2 Å²	130.2	74%	0.741	79%	0.792	S	S	*	*			trans	-124.7	164.3	178	-55.4	0	0	0	0	112.1
190	P	32	Very low	26.5	Very low	120 Å²	120	129.5 Å²	129.5	78%	0.779	79%	0.793	S	S	*	*				-135.4	153.6	103.9	38	-27.4	0	0	0	112.5
191	A	26.3	Very low	26.4	Very low	84 Å²	84	127.2 Å²	127.2	69%	0.694	79%	0.788	S	S	*	*			cis	77.7	135	38	0	0	0	0	0	113.5
192	L	27.6	Very low	26.5	Very low	169 Å²	169	126 Å²	126	89%	0.885	79%	0.787	S	S	*	*			cis	-158.6	171.4	0.4	-124.2	172.5	0	0	0	112.2
193	L	31	Very low	26.6	Very low	147 Å²	147	128.2 Å²	128.2	77%	0.77	80%	0.799	S	S	*	*			trans	-86.4	-172.3	164.1	-71.2	169.9	0	0	0	110.9
194	P	30.9	Very low	26.7	Very low	122 Å²	122	128 Å²	128	79%	0.792	80%	0.796	S	S	*	*				-139.3	157.6	110.3	35.7	-23.7	0	0	0	116.6
195	R	29	Very low	26.7	Very low	223 Å²	223	130.6 Å²	130.6	84%	0.842	80%	0.8	S	S	*	*			trans	-114.1	177.9	153.2	-79.9	-166.7	171.2	-123.8	0.1	108.4
196	L	26.2	Very low	26.8	Very low	161 Å²	161	133 Å²	133	84%	0.843	80%	0.804	S	S	*	*				159.2	170.7	103.6	-77.5	174.2	0	0	0	106.9
197	S	23.4	Very low	26.9	Very low	88 Å²	88	126.1 Å²	126.1	62%	0.615	80%	0.799	S	S	*	*			cis	-172.9	160.3	-40.4	-91.4	0	0	0	0	110.2
198	S	26.1	Very low	26.4	Very low	121 Å²	121	130.3 Å²	130.3	85%	0.846	81%	0.809	S	S	*	*			trans	32.2	140.6	146.8	-48	0	0	0	0	124.6
199	S	25.4	Very low	26.6	Very low	122 Å²	122	129.7 Å²	129.7	85%	0.853	81%	0.812	S	S	*	*			trans	-155.9	166.2	132	68.7	0	0	0	0	110.3
200	S	26.9	Very low	26.7	Very low	119 Å²	119	133.2 Å²	133.2	83%	0.832	82%	0.817	S	S	*	*			trans	-168.2	139.5	-178.6	58.1	0	0	0	0	115.2
201	S	24.5	Very low	26.4	Very low	104 Å²	104	135.8 Å²	135.8	73%	0.727	82%	0.819	S	S	*	*			trans	-160.8	107	173.5	51.7	0	0	0	0	110.1
202	T	27.4	Very low	26.4	Very low	136 Å²	136	135.1 Å²	135.1	83%	0.834	81%	0.813	S	S	*	*				87.2	113.5	77.7	54.5	0	0	0	0	116.3
203	A	26.7	Very low	26.3	Very low	113 Å²	113	137.7 Å²	137.7	93%	0.934	81%	0.811	S	S	*	*			trans	61.2	154.2	162	0	0	0	0	0	119.3
204	G	23.2	Very low	26.1	Very low	70 Å²	70	138.9 Å²	138.9	72%	0.722	82%	0.815	S	S	*	*			cis	170.3	137	-11.3	0	0	0	0	0	114.7
205	E	25.6	Very low	25.8	Very low	192 Å²	192	136.4 Å²	136.4	90%	0.897	81%	0.811	S	S	*	*			trans	66.8	159.9	163.5	-67.7	-165.7	89.2	0	0	123.3
206	V	24.4	Very low	25.8	Very low	146 Å²	146	130.8 Å²	130.8	89%	0.885	81%	0.812	S	S	*	*			trans	74.4	128.4	163.2	-158.1	0	0	0	0	120.5
207	G	24.6	Very low	26	Very low	73 Å²	73	133.1 Å²	133.1	75%	0.753	81%	0.81	S	S	*	*			trans	128.5	121.4	136.3	0	0	0	0	0	118.5
208	E	27	Very low	26.4	Very low	204 Å²	204	139 Å²	139	95%	0.953	82%	0.819	S	S	*	*			trans	-97.8	-179.1	160.6	-63.6	179.9	108	0	0	111.2
209	A	26.3	Very low	26.7	Very low	104 Å²	104	140.1 Å²	140.1	86%	0.86	81%	0.808	S	S	*	*			trans	107	168	161.1	0	0	0	0	0	118.9
210	E	25.2	Very low	26.9	Very low	179 Å²	179	144.4 Å²	144.4	84%	0.836	81%	0.806	S	S	*	*			trans	-99	166.5	-142.2	-55.1	175.5	92.9	0	0	117.8
211	E	25.8	Very low	26.9	Very low	175 Å²	175	142.7 Å²	142.7	82%	0.818	79%	0.787	S	S	*	*			trans	69.8	155.5	136.3	-91.3	-98.2	81.5	0	0	123.7
212	A	26.2	Very low	27.1	Very low	70 Å²	70	146.9 Å²	146.9	58%	0.579	79%	0.793	S	S	*	*			trans	77.1	90.9	151.1	0	0	0	0	0	123.5
213	R	27.6	Very low	27.3	Very low	222 Å²	222	144.4 Å²	144.4	84%	0.838	79%	0.786	S	S	*	*				83.2	130.8	116	-78	178.6	174.2	-167.3	-0	124.3
214	M	25	Very low	27.6	Very low	173 Å²	173	147.3 Å²	147.3	85%	0.852	78%	0.78	S	S	*	*			trans	81.7	149.4	143.5	-70.7	-166.5	-158	0	0	121.8
215	G	24.7	Very low	28	Very low	70 Å²	70	153 Å²	153	72%	0.722	79%	0.788	S	S	*	*			trans	96.9	76.5	171.8	0	0	0	0	0	114.8
216	A	29.7	Very low	28.1	Very low	104 Å²	104	147.3 Å²	147.3	86%	0.86	78%	0.781	S	S	*	*				51.5	132.7	58.7	0	0	0	0	0	114.3
217	R	30.5	Very low	28.3	Very low	210 Å²	210	148 Å²	148	79%	0.792	78%	0.78	S	S	*	*			cis	-178.3	162.5	-9.3	-169.4	-173	178.6	-176.1	3.4	107.6
218	R	32	Very low	28.5	Very low	212 Å²	212	149 Å²	149	80%	0.8	78%	0.775	S	S	*	*			trans	86.9	157.1	158.5	-57.9	-179.9	169	163.1	-4	118.4
219	K	31.6	Very low	28.5	Very low	144 Å²	144	145.8 Å²	145.8	63%	0.626	77%	0.765	S	S	*	*			cis	178.9	153.2	-29.9	-169.6	-165.7	-178.3	-88.7	0	107.6	D221	K219-D221 IonicContact NZ-OD1 2.73Å; K219-D221 PolarHBondContact NZ-OD1 3.37Å; K219-D221 IonicContact NZ-OD2 2.69Å; K219-D221 PolarHBondContact NZ-OD2 2.94Å
220	R	29.1	Very low	28.7	Very low	212 Å²	212	147.2 Å²	147.2	80%	0.8	76%	0.757	S	S	*	*			trans	112	149.9	145.1	-60.4	-160.1	-93.2	-157.8	-4.9	118.2
221	D	28.4	Very low	29	Very low	83 Å²	83	146.9 Å²	146.9	44%	0.444	76%	0.756	S	S	.	*			cis	-176.5	149.2	-25.5	-92	-13.8	0	0	0	107.4	K219	K219-D221 IonicContact NZ-OD1 2.73Å; K219-D221 PolarHBondContact NZ-OD1 3.37Å; K219-D221 IonicContact NZ-OD2 2.69Å; K219-D221 PolarHBondContact NZ-OD2 2.94Å
222	F	28.7	Very low	29.3	Very low	193 Å²	193	146.9 Å²	146.9	85%	0.846	76%	0.755	S	S	*	*			trans	59.2	156.6	151.3	-65.7	-48	0	0	0	121
223	A	32.1	Very low	29.3	Very low	83 Å²	83	151.4 Å²	151.4	69%	0.686	76%	0.764	S	S	*	*			cis	-159.8	174.4	-14.6	0	0	0	0	0	111.1
224	E	32.3	Very low	29.4	Very low	175 Å²	175	145 Å²	145	82%	0.818	76%	0.759	S	S	*	*			trans	-70.7	167.3	-176.1	-60.3	132.3	125.3	0	0	116.1
225	E	31.3	Very low	29.5	Very low	189 Å²	189	145.7 Å²	145.7	88%	0.883	76%	0.76	S	S	*	*				167.9	154.5	117.1	-90.8	-68	-174.9	0	0	113.7
226	G	28.4	Very low	29.6	Very low	73 Å²	73	149.3 Å²	149.3	75%	0.753	76%	0.762	S	S	*	*			trans	108.1	128	161.5	0	0	0	0	0	118.9
227	D	27.6	Very low	29.5	Very low	160 Å²	160	151 Å²	151	86%	0.856	76%	0.762	S	S	*	*			trans	-143.5	147.8	179.4	176.8	32.4	0	0	0	111
228	S	28.5	Very low	29.7	Very low	94 Å²	94	149 Å²	149	66%	0.657	77%	0.766	S	S	*	*			trans	162.1	126.5	151.2	60.4	0	0	0	0	115.5
229	D	28.2	Very low	29.6	Very low	137 Å²	137	145 Å²	145	73%	0.733	77%	0.765	S	S	*	*			trans	72.3	110.7	135.3	-60.2	-16.4	0	0	0	126.2
230	L	30.9	Very low	29.4	Very low	134 Å²	134	146.3 Å²	146.3	70%	0.702	78%	0.778	S	S	*	*				75.3	126	123.6	-59.1	175.4	0	0	0	125.2
231	E	30.5	Very low	29.5	Very low	172 Å²	172	140.5 Å²	140.5	80%	0.804	78%	0.776	S	S	*	*			trans	63.7	152.8	141.5	-63.7	169.5	-178.2	0	0	119.4
232	E	31.9	Very low	30.2	Very low	174 Å²	174	142 Å²	142	81%	0.813	79%	0.79	S	S	*	*			cis	-150.1	168.7	5	-146.7	-170.4	167.4	0	0	112.2
233	E	27	Very low	30.3	Very low	165 Å²	165	138.8 Å²	138.8	77%	0.771	79%	0.788	S	S	*	*			trans	7.6	133	165.8	-73.5	-73.7	94.8	0	0	125.7
234	A	29.1	Very low	30.6	Very low	87 Å²	87	144.4 Å²	144.4	72%	0.719	80%	0.797	S	S	*	*			trans	52.6	117.8	135.7	0	0	0	0	0	125.1
235	E	26.9	Very low	31.1	Very low	188 Å²	188	141.8 Å²	141.8	88%	0.879	80%	0.795	S	S	*	*				-175.8	177.3	105.1	-169.8	155.5	-154	0	0	111.4
236	L	27.7	Very low	31.2	Very low	147 Å²	147	139.9 Å²	139.9	77%	0.77	79%	0.792	S	S	*	*			trans	-55.7	144.1	-174.9	-83.1	63.7	0	0	0	116.3
237	T	26	Very low	31.7	Very low	140 Å²	140	147.2 Å²	147.2	86%	0.859	80%	0.796	S	S	*	*				-174.2	144	111.7	-77.4	0	0	0	0	112.3
238	L	36.4	Very low	32.4	Very low	166 Å²	166	148.5 Å²	148.5	87%	0.869	80%	0.797	S	S	*	*			trans	-83.4	131	173	-71.7	158.7	0	0	0	111.8
239	V	28.2	Very low	32.7	Very low	130 Å²	130	152.5 Å²	152.5	79%	0.788	81%	0.805	S	S	*	*			trans	-169.2	126.5	142.2	126.7	0	0	0	0	113.7
240	L	28.6	Very low	33.5	Very low	170 Å²	170	151 Å²	151	89%	0.89	81%	0.806	S	S	*	*			trans	58.8	153.7	158.1	-60.6	173.8	0	0	0	121.5
241	A	30.5	Very low	34.4	Very low	91 Å²	91	150.2 Å²	150.2	75%	0.752	81%	0.806	S	S	*	*			trans	-155.5	-178.9	178.5	0	0	0	0	0	108.2
242	P	43.4	Very low	35.2	Very low	113 Å²	113	150.2 Å²	150.2	73%	0.734	81%	0.806	S	S	*	*			cis	-123.3	-173.4	-24.4	38.5	-23.5	0	0	0	111.7
243	P	31	Very low	36.7	Very low	127 Å²	127	146 Å²	146	83%	0.825	79%	0.789	S	S	*	*				-132.9	166	121	37.5	-30	0	0	0	114.8
244	K	38.2	Very low	39.2	Very low	200 Å²	200	141.5 Å²	141.5	87%	0.87	78%	0.776	S	S	*	*			trans	-111.9	170	167.4	-78.7	-171.4	178.4	-172.6	0	108.3
245	P	42.3	Very low	41.6	Very low	120 Å²	120	140.9 Å²	140.9	78%	0.779	76%	0.763	S	S	*	*			cis	-128.6	169.6	8.1	41.2	-26.9	0	0	0	115.3
246	D	33.1	Very low	44.1	Very low	150 Å²	150	138.2 Å²	138.2	80%	0.802	75%	0.75	S	S	*	*			trans	-119.9	168.4	151.4	-148.4	-20.5	0	0	0	110
247	R	39.9	Very low	46.8	Very low	226 Å²	226	135 Å²	135	85%	0.853	73%	0.731	S	S	*	*			trans	-79.9	157.6	-154	-68.8	167.3	163.8	167.8	-4.6	115.1	E249	R247-E249 PolarHBondContact O-N 2.81Å
248	Q	41.5	Very low	49.4	Very low	188 Å²	188	132.8 Å²	132.8	88%	0.879	71%	0.707	S	S	*	*			trans	-62.7	127.9	154.9	-87.2	97.4	-21.5	0	0	110.4
249	E	36.5	Very low	51.8	Low	177 Å²	177	125.2 Å²	125.2	83%	0.827	67%	0.667	S	S	*	*			trans	-111.2	106.1	159.4	-174.1	167.8	-128.4	0	0	108.8	R247 V251	R247-E249 PolarHBondContact O-N 2.81Å; E249-V251 PolarHBondContact O-N 2.91Å
250	S	42.9	Very low	54.7	Low	107 Å²	107	122 Å²	122	75%	0.748	64%	0.643	S	S	*	*			trans	-91	97.7	173.9	54.1	0	0	0	0	109.2	E252	S250-E252 PolarHBondContact O-N 2.91Å; S250-E252 VanDerWaalsContact O-N 3.14Å
251	V	50.3	Low	57.2	Low	116 Å²	116	117 Å²	117	70%	0.703	62%	0.617	S	S	*	*			trans	-57.7	115.2	-176.3	-178.5	0	0	0	0	111.2	E249 L253	E249-V251 PolarHBondContact O-N 2.91Å; V251-L253 PolarHBondContact O-N 2.89Å
252	E	48.1	Very low	59.5	Low	172 Å²	172	112.9 Å²	112.9	80%	0.804	58%	0.583	S	S	*	*			trans	-72.7	107.6	172.9	-67.2	-159.8	122.2	0	0	110.4	S250 S254	S250-E252 PolarHBondContact O-N 2.91Å; S250-E252 VanDerWaalsContact O-N 3.14Å; E252-S254 PolarHBondContact O-N 2.82Å
253	L	62.6	Low	61.6	Low	87 Å²	87	107.6 Å²	107.6	46%	0.455	55%	0.548	S	S	.	.			trans	-58.4	132.1	173.5	-62.6	176.2	0	0	0	110.2	V251 Q257 R258	V251-L253 PolarHBondContact O-N 2.89Å; L253-Q257 HydrophobicContact CD2-CG 4.31Å; L253-R258 HydrophobicContact CB-CG 4.16Å; L253-R258 PolarHBondContact O-NE 2.88Å; L253-R258 PolarHBondContact O-NH2 3.04Å
254	S	81.1	Confident	64.1	Low	69 Å²	69	104 Å²	104	48%	0.483	52%	0.522	S	S	.	.			trans	-63.7	158.3	177.6	74.8	0	0	0	0	112.1	E252 H256 Q257 R258	E252-S254 PolarHBondContact O-N 2.82Å; S254-H256 VanDerWaalsContact C-N 3.33Å; S254-H256 PolarHBondContact O-N 2.87Å; S254-Q257 PolarHBondContact O-N 2.88Å; S254-Q257 VanDerWaalsContact O-N 3.11Å; S254-Q257 WeakPolarHBondContact OG-CB 3.17Å; S254-Q257 PolarHBondContact OG-N 2.99Å; S254-R258 WeakPolarHBondContact O-CG 3.36Å; S254-R258 PolarHBondContact O-N 2.89Å
255	V	78.4	Confident	66.1	Low	74 Å²	74	99.2 Å²	99.2	45%	0.448	50%	0.503	S	S	.	.	H	α-helix	trans	-57.3	-47	178.3	-179.1	0	0	0	0	110.9	Q257 R258 V259 R418 P420	V255-Q257 VanDerWaalsContact C-N 3.31Å; V255-Q257 PolarHBondContact O-N 3.49Å; V255-R258 WeakPolarHBondContact O-CB 3.44Å; V255-R258 PolarHBondContact O-N 3.15Å; V255-R258 VanDerWaalsContact O-N 3.1Å; V255-V259 HydrophobicContact CG1-CG2 4.46Å; V255-V259 WeakPolarHBondContact O-CG2 3.28Å; V255-V259 PolarHBondContact O-N 3.05Å; V255-R418 VanDerWaalsContact CG1-O 3.26Å; V255-R418 WeakPolarHBondContact CG1-O 3.4Å; V255-P420 HydrophobicContact CG1-CG 4.24Å
256	H	80.3	Confident	68	Low	132 Å²	132	93.7 Å²	93.7	61%	0.611	47%	0.467	S	S	*	.	H	α-helix	trans	-56.7	-41.4	174.7	-79	-91.8	0	0	0	112.8	S254 R258 V259 F260	S254-H256 VanDerWaalsContact C-N 3.33Å; S254-H256 PolarHBondContact O-N 2.87Å; H256-R258 PolarHBondContact O-N 3.45Å; H256-V259 PolarHBondContact O-N 3.19Å; H256-F260 WeakPolarHBondContact O-CB 3.48Å; H256-F260 PolarHBondContact O-N 3.08Å
257	Q	82.8	Confident	70.6	Confident	79 Å²	79	87.5 Å²	87.5	37%	0.369	43%	0.433	S	S	.	.	H	α-helix	trans	-65.9	-38.1	177.1	-169	63.9	59.6	0	0	112	L253 S254 V255 N261	L253-Q257 HydrophobicContact CD2-CG 4.31Å; S254-Q257 PolarHBondContact O-N 2.88Å; S254-Q257 VanDerWaalsContact O-N 3.11Å; S254-Q257 WeakPolarHBondContact OG-CB 3.17Å; S254-Q257 PolarHBondContact OG-N 2.99Å; V255-Q257 VanDerWaalsContact C-N 3.31Å; V255-Q257 PolarHBondContact O-N 3.49Å; Q257-N261 PolarHBondContact NE2-OD1 3.38Å; Q257-N261 WeakPolarHBondContact O-CB 3.48Å; Q257-N261 PolarHBondContact O-N 3.11Å; Q257-N261 PolarHBondContact O-OD1 2.82Å; Q257-N261 VanDerWaalsContact O-OD1 3.08Å
258	R	80.6	Confident	72.2	Confident	94 Å²	94	81.7 Å²	81.7	36%	0.355	42%	0.419	S	S	.	.	H	α-helix	trans	-65	-41.5	176.2	-63.3	173	-158.3	-160.6	4.5	111.6	L253 S254 V255 H256 N261 I262	L253-R258 HydrophobicContact CB-CG 4.16Å; L253-R258 PolarHBondContact O-NE 2.88Å; L253-R258 PolarHBondContact O-NH2 3.04Å; S254-R258 WeakPolarHBondContact O-CG 3.36Å; S254-R258 PolarHBondContact O-N 2.89Å; V255-R258 WeakPolarHBondContact O-CB 3.44Å; V255-R258 PolarHBondContact O-N 3.15Å; V255-R258 VanDerWaalsContact O-N 3.1Å; H256-R258 PolarHBondContact O-N 3.45Å; R258-N261 PolarHBondContact O-N 3.34Å; R258-I262 PolarHBondContact O-N 2.99Å
259	V	86.8	Confident	74.1	Confident	7 Å²	7	75 Å²	75	4%	0.042	39%	0.391	C	S	.	.	H	α-helix	trans	-67.5	-45.8	177.5	174.6	0	0	0	0	111.2	V255 H256 N261 I262 A263 W332 Y415 R418 L419	V255-V259 HydrophobicContact CG1-CG2 4.46Å; V255-V259 WeakPolarHBondContact O-CG2 3.28Å; V255-V259 PolarHBondContact O-N 3.05Å; H256-V259 PolarHBondContact O-N 3.19Å; V259-N261 VanDerWaalsContact C-N 3.34Å; V259-N261 PolarHBondContact O-N 2.96Å; V259-I262 PolarHBondContact O-N 3.13Å; V259-A263 PolarHBondContact O-N 2.97Å; V259-A263 VanDerWaalsContact O-N 3.14Å; V259-W332 HydrophobicContact CG1-CZ2 4.29Å; V259-Y415 HydrophobicContact CG1-CD2 4.1Å; V259-Y415 HydrophobicContact CG1-CE2 3.36Å; V259-R418 HydrophobicContact CG2-CB 4.27Å; V259-R418 VanDerWaalsContact CG2-O 3.28Å; V259-R418 WeakPolarHBondContact CG2-O 3.16Å; V259-L419 HydrophobicContact CG1-CD1 4.01Å; V259-L419 HydrophobicContact CG2-CD1 4.32Å
260	F	89.8	Confident	76.6	Confident	62 Å²	62	66.5 Å²	66.5	27%	0.272	35%	0.351	S	S	.	.	H	α-helix	trans	-57.9	-43.9	173.4	172.4	-93.8	0	0	0	112.2	H256 I262 A263 N264 M329 W332	H256-F260 WeakPolarHBondContact O-CB 3.48Å; H256-F260 PolarHBondContact O-N 3.08Å; F260-I262 VanDerWaalsContact C-N 3.26Å; F260-I262 PolarHBondContact O-N 3.41Å; F260-A263 PolarHBondContact O-N 3.46Å; F260-N264 HydrophobicContact CE1-CB 4.4Å; F260-N264 WeakPolarHBondContact O-CB 3.49Å; F260-N264 PolarHBondContact O-N 2.62Å; F260-M329 HydrophobicContact CD2-CE 3.65Å; F260-M329 HydrophobicContact CE2-CE 3.32Å; F260-M329 HydrophobicContact CG-CE 4.49Å; F260-M329 HydrophobicContact CZ-CE 3.91Å; F260-W332 HydrophobicContact CB-CZ2 4.39Å; F260-W332 AromaticContact CD2-CD1 3.53Å; F260-W332 AromaticContact CD2-CD2 3.97Å; F260-W332 HydrophobicContact CD2-CD2 3.97Å; F260-W332 AromaticContact CD2-CE2 3.87Å; F260-W332 AromaticContact CD2-CG 3.77Å; F260-W332 HydrophobicContact CD2-CG 3.77Å; F260-W332 AromaticContact CD2-NE1 3.56Å; F260-W332 HydrophobicContact CE2-CG 4.16Å
261	N	81.7	Confident	78.6	Confident	66 Å²	66	64 Å²	64	35%	0.353	33%	0.331	S	S	.	.	H	α-helix	trans	-59.5	-37.2	-179.4	-72.2	-0.4	0	0	0	112.1	Q257 R258 V259 E265	Q257-N261 PolarHBondContact NE2-OD1 3.38Å; Q257-N261 WeakPolarHBondContact O-CB 3.48Å; Q257-N261 PolarHBondContact O-N 3.11Å; Q257-N261 PolarHBondContact O-OD1 2.82Å; Q257-N261 VanDerWaalsContact O-OD1 3.08Å; R258-N261 PolarHBondContact O-N 3.34Å; V259-N261 VanDerWaalsContact C-N 3.34Å; V259-N261 PolarHBondContact O-N 2.96Å; N261-E265 WeakPolarHBondContact O-CB 3.42Å; N261-E265 PolarHBondContact O-N 2.97Å
262	I	78.1	Confident	80.1	Confident	5 Å²	5	61 Å²	61	3%	0.026	32%	0.319	C	S	.	.	H	α-helix	trans	-73.2	-40.6	177.1	-63.4	169.8	0	0	0	111.4	R258 V259 F260 N264 E265 L266 L411 D414 Y415 R418	R258-I262 PolarHBondContact O-N 2.99Å; V259-I262 PolarHBondContact O-N 3.13Å; F260-I262 VanDerWaalsContact C-N 3.26Å; F260-I262 PolarHBondContact O-N 3.41Å; I262-N264 VanDerWaalsContact C-N 3.3Å; I262-N264 PolarHBondContact O-N 3.05Å; I262-E265 PolarHBondContact O-N 3.43Å; I262-L266 WeakPolarHBondContact O-CB 3.41Å; I262-L266 PolarHBondContact O-N 3.33Å; I262-L411 HydrophobicContact CG2-CD2 4.46Å; I262-D414 HydrophobicContact CD1-CB 4.09Å; I262-D414 WeakPolarHBondContact CD1-OD2 3.24Å; I262-Y415 HydrophobicContact CB-CD2 4.35Å; I262-Y415 HydrophobicContact CG2-CD2 4.15Å; I262-R418 HydrophobicContact CD1-CG 4.47Å
263	A	87.6	Confident	82	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-62.5	-38.3	174.2	0	0	0	0	0	111.9	V259 F260 L266 L267 M329 W332 I338	V259-A263 PolarHBondContact O-N 2.97Å; V259-A263 VanDerWaalsContact O-N 3.14Å; F260-A263 PolarHBondContact O-N 3.46Å; A263-L266 WeakPolarHBondContact O-CB 3.3Å; A263-L266 PolarHBondContact O-N 2.72Å; A263-L267 PolarHBondContact O-N 2.8Å; A263-L267 VanDerWaalsContact O-N 3.08Å; A263-M329 HydrophobicContact CB-CE 4.31Å; A263-M329 HydrophobicContact CB-SD 3.74Å; A263-W332 HydrophobicContact CB-CE3 4.46Å; A263-W332 HydrophobicContact CB-CH2 3.52Å; A263-W332 HydrophobicContact CB-CZ2 4.3Å; A263-W332 HydrophobicContact CB-CZ3 3.62Å; A263-I338 HydrophobicContact CB-CD1 4.36Å; A263-I338 HydrophobicContact CB-CG2 3.88Å
264	N	83.5	Confident	83.5	Confident	52 Å²	52	49.4 Å²	49.4	28%	0.278	26%	0.262	S	S	.	.	H	α-helix	trans	-68.3	-41.3	173.4	-169.8	38.6	0	0	0	112.1	F260 I262 L266 L267 L268 M329	F260-N264 HydrophobicContact CE1-CB 4.4Å; F260-N264 WeakPolarHBondContact O-CB 3.49Å; F260-N264 PolarHBondContact O-N 2.62Å; I262-N264 VanDerWaalsContact C-N 3.3Å; I262-N264 PolarHBondContact O-N 3.05Å; N264-L266 VanDerWaalsContact C-N 3.32Å; N264-L266 PolarHBondContact O-N 2.71Å; N264-L267 PolarHBondContact O-N 2.78Å; N264-L268 WeakPolarHBondContact O-CB 3.31Å; N264-L268 VanDerWaalsContact O-CG 3.28Å; N264-L268 WeakPolarHBondContact O-CG 3.21Å; N264-L268 PolarHBondContact O-N 2.96Å; N264-M329 HydrophobicContact CB-CE 3.8Å
265	E	80.5	Confident	83.9	Confident	99 Å²	99	49.5 Å²	49.5	46%	0.463	26%	0.263	S	S	.	.	H	α-helix	trans	-61	-41.2	173.1	-175.5	177.2	164.4	0	0	111.6	N261 I262 L267 L268 T269 L411	N261-E265 WeakPolarHBondContact O-CB 3.42Å; N261-E265 PolarHBondContact O-N 2.97Å; I262-E265 PolarHBondContact O-N 3.43Å; E265-L267 PolarHBondContact O-N 3.13Å; E265-L268 PolarHBondContact O-N 2.95Å; E265-T269 HydrophobicContact CG-CG2 4.12Å; E265-T269 WeakPolarHBondContact O-CB 3.46Å; E265-T269 VanDerWaalsContact O-CG2 3.27Å; E265-T269 WeakPolarHBondContact O-CG2 3.48Å; E265-T269 PolarHBondContact O-N 2.84Å; E265-T269 PolarHBondContact O-OG1 3Å; E265-L411 HydrophobicContact CG-CD2 4.12Å
266	L	81.5	Confident	84.3	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-58	-48.8	174.1	178.9	64.9	0	0	0	111	I262 A263 N264 T269 E270 L325 I338 L342 R404 Y408 L411	I262-L266 WeakPolarHBondContact O-CB 3.41Å; I262-L266 PolarHBondContact O-N 3.33Å; A263-L266 WeakPolarHBondContact O-CB 3.3Å; A263-L266 PolarHBondContact O-N 2.72Å; N264-L266 VanDerWaalsContact C-N 3.32Å; N264-L266 PolarHBondContact O-N 2.71Å; L266-T269 PolarHBondContact O-OG1 3.48Å; L266-E270 WeakPolarHBondContact O-CB 3.41Å; L266-E270 PolarHBondContact O-N 3.02Å; L266-L325 HydrophobicContact CD2-CD1 4.24Å; L266-L325 HydrophobicContact CD2-CD2 3.96Å; L266-L325 HydrophobicContact CG-CD1 4.07Å; L266-I338 HydrophobicContact CD2-CD1 3.86Å; L266-L342 HydrophobicContact CD2-CD1 4.14Å; L266-L342 HydrophobicContact CD2-CD2 4.44Å; L266-R404 PolarHBondContact O-NH2 3.45Å; L266-Y408 HydrophobicContact CD1-CD1 3.76Å; L266-Y408 HydrophobicContact CD1-CE1 3.9Å; L266-L411 HydrophobicContact CB-CD1 4.41Å; L266-L411 HydrophobicContact CD1-CD1 3.9Å
267	L	87.9	Confident	84.9	Confident	20 Å²	20	42.4 Å²	42.4	11%	0.105	22%	0.224	C	C	.	.	H	α-helix	trans	-64.1	-46.8	177.5	171.7	59.5	0	0	0	113.1	A263 N264 E265 E270 T271 L322 L325 Q326 M329	A263-L267 PolarHBondContact O-N 2.8Å; A263-L267 VanDerWaalsContact O-N 3.08Å; N264-L267 PolarHBondContact O-N 2.78Å; E265-L267 PolarHBondContact O-N 3.13Å; L267-E270 WeakPolarHBondContact O-CB 3.3Å; L267-E270 PolarHBondContact O-N 3.05Å; L267-T271 PolarHBondContact O-N 3.48Å; L267-T271 PolarHBondContact O-OG1 3.24Å; L267-L322 HydrophobicContact CD1-CD1 3.62Å; L267-L325 HydrophobicContact CD1-CB 4.06Å; L267-Q326 HydrophobicContact CD1-CB 4.46Å; L267-Q326 HydrophobicContact CD1-CG 3.58Å; L267-M329 HydrophobicContact CB-CG 4.23Å; L267-M329 HydrophobicContact CD2-CB 3.76Å; L267-M329 HydrophobicContact CD2-CG 3.52Å; L267-M329 HydrophobicContact CG-CG 4.48Å
268	L	74.4	Confident	85.5	Confident	105 Å²	105	42.1 Å²	42.1	55%	0.55	22%	0.223	S	C	.	.	H	α-helix	trans	-64.2	-44.4	-178.7	-71.6	171.2	0	0	0	111	N264 E265 E270 T271 A272	N264-L268 WeakPolarHBondContact O-CB 3.31Å; N264-L268 VanDerWaalsContact O-CG 3.28Å; N264-L268 WeakPolarHBondContact O-CG 3.21Å; N264-L268 PolarHBondContact O-N 2.96Å; E265-L268 PolarHBondContact O-N 2.95Å; L268-E270 VanDerWaalsContact C-N 3.3Å; L268-E270 PolarHBondContact O-N 3.02Å; L268-T271 PolarHBondContact O-N 3.33Å; L268-A272 PolarHBondContact O-N 3.01Å; L268-A272 VanDerWaalsContact O-N 3.11Å
269	T	80	Confident	86.1	Confident	46 Å²	46	37.9 Å²	37.9	28%	0.282	21%	0.207	S	C	.	.	H	α-helix	trans	-70.3	-26.6	175.4	61.6	0	0	0	0	112.5	E265 L266 Y273 R404	E265-T269 HydrophobicContact CG-CG2 4.12Å; E265-T269 WeakPolarHBondContact O-CB 3.46Å; E265-T269 VanDerWaalsContact O-CG2 3.27Å; E265-T269 WeakPolarHBondContact O-CG2 3.48Å; E265-T269 PolarHBondContact O-N 2.84Å; E265-T269 PolarHBondContact O-OG1 3Å; L266-T269 PolarHBondContact O-OG1 3.48Å; T269-Y273 WeakPolarHBondContact O-CB 3.4Å; T269-Y273 PolarHBondContact O-N 2.9Å; T269-R404 VanDerWaalsContact CB-NH1 3.31Å; T269-R404 PolarHBondContact OG1-NH1 2.84Å; T269-R404 PolarHBondContact OG1-NH2 3.18Å
270	E	89.5	Confident	86.4	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-70.6	-44	172.5	-171.3	63.1	-168.8	0	0	111.9	L266 L267 L268 A272 Y273 V274 H317 L322 L325 R404 Y408	L266-E270 WeakPolarHBondContact O-CB 3.41Å; L266-E270 PolarHBondContact O-N 3.02Å; L267-E270 WeakPolarHBondContact O-CB 3.3Å; L267-E270 PolarHBondContact O-N 3.05Å; L268-E270 VanDerWaalsContact C-N 3.3Å; L268-E270 PolarHBondContact O-N 3.02Å; E270-A272 VanDerWaalsContact C-N 3.3Å; E270-A272 PolarHBondContact O-N 3.31Å; E270-Y273 PolarHBondContact O-N 3.01Å; E270-Y273 VanDerWaalsContact O-N 3.1Å; E270-V274 HydrophobicContact CG-CG2 4.48Å; E270-V274 WeakPolarHBondContact O-CG2 3.15Å; E270-V274 PolarHBondContact O-N 3.43Å; E270-H317 IonicContact OE1-CE1 2.69Å; E270-H317 IonicContact OE1-CG 2.76Å; E270-H317 IonicContact OE1-ND1 2.59Å; E270-H317 PolarHBondContact OE1-ND1 3.36Å; E270-L322 HydrophobicContact CB-CD1 4.35Å; E270-L322 HydrophobicContact CG-CB 4.1Å; E270-L322 HydrophobicContact CG-CD1 4.07Å; E270-L325 HydrophobicContact CB-CD1 4.27Å; E270-L325 HydrophobicContact CG-CD1 4.16Å; E270-R404 VanDerWaalsContact CA-NH2 3.27Å; E270-R404 VanDerWaalsContact N-NH2 3.16Å; E270-R404 IonicContact OE2-CZ 2.7Å; E270-R404 IonicContact OE2-NE 3.09Å; E270-R404 PolarHBondContact OE2-NE 3.49Å; E270-R404 IonicContact OE2-NH2 3.64Å; E270-R404 PolarHBondContact OE2-NH2 3.04Å; E270-Y408 PolarHBondContact OE2-OH 3.47Å
271	T	85.6	Confident	86.6	Confident	53 Å²	53	35 Å²	35	33%	0.325	20%	0.195	S	C	.	.	H	α-helix	trans	-59.9	-43.2	176.9	-53.2	0	0	0	0	110.7	L267 L268 S275 L322	L267-T271 PolarHBondContact O-N 3.48Å; L267-T271 PolarHBondContact O-OG1 3.24Å; L268-T271 PolarHBondContact O-N 3.33Å; T271-S275 PolarHBondContact O-N 2.87Å; T271-S275 PolarHBondContact O-OG 3.24Å; T271-L322 WeakPolarHBondContact OG1-CD1 3.34Å
272	A	81.7	Confident	87.2	Confident	55 Å²	55	36.1 Å²	36.1	46%	0.455	20%	0.198	S	C	.	.	H	α-helix	trans	-64.7	-41.2	173.5	0	0	0	0	0	112.3	L268 E270 S275 K276	L268-A272 PolarHBondContact O-N 3.01Å; L268-A272 VanDerWaalsContact O-N 3.11Å; E270-A272 VanDerWaalsContact C-N 3.3Å; E270-A272 PolarHBondContact O-N 3.31Å; A272-S275 WeakPolarHBondContact O-CB 3.38Å; A272-S275 PolarHBondContact O-N 3.18Å; A272-K276 PolarHBondContact O-N 3.04Å
273	Y	87.5	Confident	88	Confident	10 Å²	10	36 Å²	36	4%	0.039	20%	0.197	C	C	.	.	H	α-helix	trans	-67.1	-45.1	179.8	174.4	-121.8	0	0	0	113	T269 E270 S275 K276 L277 H317 Y352 P401 R404	T269-Y273 WeakPolarHBondContact O-CB 3.4Å; T269-Y273 PolarHBondContact O-N 2.9Å; E270-Y273 PolarHBondContact O-N 3.01Å; E270-Y273 VanDerWaalsContact O-N 3.1Å; Y273-S275 PolarHBondContact O-N 3.3Å; Y273-K276 WeakPolarHBondContact O-CA 3.23Å; Y273-K276 WeakPolarHBondContact O-CB 3.48Å; Y273-K276 PolarHBondContact O-N 3Å; Y273-L277 HydrophobicContact CD1-CD1 4.09Å; Y273-L277 HydrophobicContact CD2-CG 4.43Å; Y273-L277 HydrophobicContact CE1-CD1 3.49Å; Y273-L277 VanDerWaalsContact CE1-CD1 3.49Å; Y273-L277 HydrophobicContact CE1-CG 4.14Å; Y273-L277 HydrophobicContact CE2-CD1 4.15Å; Y273-L277 HydrophobicContact CE2-CD2 4.12Å; Y273-L277 HydrophobicContact CE2-CG 3.86Å; Y273-L277 PolarHBondContact O-N 3.48Å; Y273-H317 AromaticContact CE1-CD2 3.94Å; Y273-H317 AromaticContact CE1-CG 3.86Å; Y273-H317 AromaticContact CE1-ND1 3.9Å; Y273-Y352 PolarHBondContact OH-OH 3.33Å; Y273-P401 VanDerWaalsContact OH-CA 3.22Å; Y273-P401 WeakPolarHBondContact OH-CA 3.48Å; Y273-P401 WeakPolarHBondContact OH-CB 3.12Å; Y273-R404 HydrophobicContact CD1-CB 4.33Å; Y273-R404 HydrophobicContact CD1-CG 3.64Å; Y273-R404 HydrophobicContact CD2-CB 4.32Å; Y273-R404 HydrophobicContact CD2-CG 4.35Å; Y273-R404 HydrophobicContact CE1-CB 3.96Å; Y273-R404 HydrophobicContact CE1-CG 3.58Å; Y273-R404 HydrophobicContact CE2-CB 3.98Å; Y273-R404 HydrophobicContact CE2-CG 4.33Å; Y273-R404 HydrophobicContact CG-CG 4.04Å
274	V	93.8	Very high	88.4	Confident	4 Å²	4	36 Å²	36	2%	0.024	20%	0.197	C	C	.	.	H	α-helix	trans	-57.8	-37.2	172.5	169.6	0	0	0	0	111.2	E270 K276 L277 H278 Y314 H317 Q318 L322	E270-V274 HydrophobicContact CG-CG2 4.48Å; E270-V274 WeakPolarHBondContact O-CG2 3.15Å; E270-V274 PolarHBondContact O-N 3.43Å; V274-K276 VanDerWaalsContact C-N 3.3Å; V274-K276 PolarHBondContact O-N 2.92Å; V274-L277 PolarHBondContact O-N 3.48Å; V274-H278 WeakPolarHBondContact O-CB 3.28Å; V274-H278 PolarHBondContact O-N 3.36Å; V274-Y314 HydrophobicContact CG1-CE2 4.17Å; V274-H317 HydrophobicContact CG2-CB 3.79Å; V274-Q318 HydrophobicContact CG1-CB 4.16Å; V274-Q318 HydrophobicContact CG1-CG 4.48Å; V274-Q318 VanDerWaalsContact CG1-OE1 3.24Å; V274-L322 HydrophobicContact CB-CD2 3.98Å; V274-L322 HydrophobicContact CG1-CD2 3.99Å; V274-L322 HydrophobicContact CG2-CB 4.08Å; V274-L322 HydrophobicContact CG2-CD2 3.92Å
275	S	89.3	Confident	88.9	Confident	72 Å²	72	34 Å²	34	50%	0.503	19%	0.187	S	C	.	.	H	α-helix	trans	-64.5	-30.6	174	-54.7	0	0	0	0	113.2	T271 A272 Y273 L279	T271-S275 PolarHBondContact O-N 2.87Å; T271-S275 PolarHBondContact O-OG 3.24Å; A272-S275 WeakPolarHBondContact O-CB 3.38Å; A272-S275 PolarHBondContact O-N 3.18Å; Y273-S275 PolarHBondContact O-N 3.3Å; S275-L279 PolarHBondContact O-N 2.83Å
276	K	87.2	Confident	89.6	Confident	56 Å²	56	31 Å²	31	24%	0.243	18%	0.179	C	C	.	.	H	α-helix	trans	-77.4	-37.8	172.7	-62.4	-60.5	-178.3	-179.6	0	112.6	A272 Y273 V274 H278 L279 L280	A272-K276 PolarHBondContact O-N 3.04Å; Y273-K276 WeakPolarHBondContact O-CA 3.23Å; Y273-K276 WeakPolarHBondContact O-CB 3.48Å; Y273-K276 PolarHBondContact O-N 3Å; V274-K276 VanDerWaalsContact C-N 3.3Å; V274-K276 PolarHBondContact O-N 2.92Å; K276-H278 VanDerWaalsContact C-N 3.33Å; K276-L279 WeakPolarHBondContact O-CB 3.49Å; K276-L279 PolarHBondContact O-N 3.01Å; K276-L280 PolarHBondContact O-N 3.16Å
277	L	93	Very high	90.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.8	-41.4	171.9	-72.9	175	0	0	0	111.7	Y273 V274 L279 L280 D281 I310 I313 Y314 H317 P401	Y273-L277 HydrophobicContact CD1-CD1 4.09Å; Y273-L277 HydrophobicContact CD2-CG 4.43Å; Y273-L277 HydrophobicContact CE1-CD1 3.49Å; Y273-L277 VanDerWaalsContact CE1-CD1 3.49Å; Y273-L277 HydrophobicContact CE1-CG 4.14Å; Y273-L277 HydrophobicContact CE2-CD1 4.15Å; Y273-L277 HydrophobicContact CE2-CD2 4.12Å; Y273-L277 HydrophobicContact CE2-CG 3.86Å; Y273-L277 PolarHBondContact O-N 3.48Å; V274-L277 PolarHBondContact O-N 3.48Å; L277-L279 VanDerWaalsContact C-N 3.35Å; L277-L279 PolarHBondContact O-N 3.45Å; L277-L280 PolarHBondContact O-N 3.48Å; L277-D281 WeakPolarHBondContact O-CB 3.39Å; L277-D281 PolarHBondContact O-N 3.01Å; L277-I310 HydrophobicContact CD2-CD1 3.67Å; L277-I310 HydrophobicContact CD2-CG1 4.33Å; L277-I313 HydrophobicContact CD1-CG2 4.01Å; L277-I313 HydrophobicContact CD2-CG2 3.8Å; L277-Y314 HydrophobicContact CB-CD2 3.66Å; L277-Y314 HydrophobicContact CB-CG 4.3Å; L277-H317 HydrophobicContact CD1-CB 3.74Å; L277-P401 HydrophobicContact CD2-CB 4.44Å; L277-P401 HydrophobicContact CD2-CG 3.94Å
278	H	94.8	Very high	90.5	Very high	73 Å²	73	33.8 Å²	33.8	34%	0.338	19%	0.191	S	C	.	.	H	α-helix	trans	-58.4	-44.3	173	-179.2	91.6	0	0	0	111.8	V274 K276 L280 Q282 V283 Y314	V274-H278 WeakPolarHBondContact O-CB 3.28Å; V274-H278 PolarHBondContact O-N 3.36Å; K276-H278 VanDerWaalsContact C-N 3.33Å; H278-L280 VanDerWaalsContact C-N 3.35Å; H278-L280 PolarHBondContact O-N 3Å; H278-Q282 WeakPolarHBondContact O-CA 3.23Å; H278-Q282 WeakPolarHBondContact O-CB 3.27Å; H278-Q282 PolarHBondContact O-N 3.21Å; H278-V283 PolarHBondContact O-N 2.84Å; H278-Y314 HydrophobicContact CB-CE2 3.75Å; H278-Y314 AromaticContact ND1-CZ 3.73Å; H278-Y314 PolarHBondContact ND1-OH 2.72Å
279	L	93.2	Very high	91.4	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.026	17%	0.172	C	C	.	.	I	π-helix	trans	-60.9	-41	175.6	-179.6	65.3	0	0	0	112.2	S275 K276 L277 V283 F284 I383 R388 C389	S275-L279 PolarHBondContact O-N 2.83Å; K276-L279 WeakPolarHBondContact O-CB 3.49Å; K276-L279 PolarHBondContact O-N 3.01Å; L277-L279 VanDerWaalsContact C-N 3.35Å; L277-L279 PolarHBondContact O-N 3.45Å; L279-V283 HydrophobicContact CD1-CB 4.16Å; L279-V283 HydrophobicContact CD1-CG1 4.42Å; L279-V283 HydrophobicContact CD1-CG2 4.18Å; L279-V283 WeakPolarHBondContact O-CB 3.47Å; L279-F284 HydrophobicContact CD1-CD2 4.35Å; L279-F284 HydrophobicContact CD1-CE2 4.17Å; L279-F284 HydrophobicContact CD2-CE2 4.34Å; L279-F284 HydrophobicContact CG-CD2 4.09Å; L279-F284 HydrophobicContact CG-CE2 3.97Å; L279-F284 WeakPolarHBondContact O-CD2 3.27Å; L279-F284 PolarHBondContact O-N 3.49Å; L279-I383 HydrophobicContact CD1-CG2 4.22Å; L279-R388 HydrophobicContact CD1-CG 4.1Å; L279-C389 HydrophobicContact CD2-CB 4.49Å
280	L	93.8	Very high	92	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	19%	0.186	C	C	.	.	I	π-helix	trans	-67.9	-48.7	177.1	-73.5	174.1	0	0	0	112.9	K276 L277 H278 C285 F307 I310 L394 H397 M398 P401	K276-L280 PolarHBondContact O-N 3.16Å; L277-L280 PolarHBondContact O-N 3.48Å; H278-L280 VanDerWaalsContact C-N 3.35Å; H278-L280 PolarHBondContact O-N 3Å; L280-C285 WeakPolarHBondContact O-CB 3.4Å; L280-C285 PolarHBondContact O-N 3.28Å; L280-F307 HydrophobicContact CD2-CE1 4.42Å; L280-I310 HydrophobicContact CB-CG1 4.1Å; L280-I310 HydrophobicContact CD1-CD1 3.88Å; L280-I310 HydrophobicContact CD1-CG1 4.25Å; L280-L394 HydrophobicContact CD2-CD1 4.08Å; L280-H397 HydrophobicContact CD2-CB 3.75Å; L280-H397 HydrophobicContact CG-CB 4.23Å; L280-M398 HydrophobicContact CD2-CG 3.76Å; L280-P401 HydrophobicContact CD1-CG 3.94Å
281	D	95.1	Very high	92.1	Very high	8 Å²	8	35 Å²	35	4%	0.043	19%	0.192	C	C	.	.	I	π-helix	trans	-88.6	-53.9	-170	-171.1	58.3	0	0	0	112.6	L277 V283 C285 A286 I310 C311 Y314	L277-D281 WeakPolarHBondContact O-CB 3.39Å; L277-D281 PolarHBondContact O-N 3.01Å; D281-V283 PolarHBondContact O-N 2.64Å; D281-C285 WeakPolarHBondContact O-CB 3.49Å; D281-A286 PolarHBondContact O-N 3.09Å; D281-I310 HydrophobicContact CB-CG2 4.23Å; D281-C311 VanDerWaalsContact OD1-CA 3.25Å; D281-C311 WeakPolarHBondContact OD1-CA 3.36Å; D281-C311 WeakPolarHBondContact OD1-CB 3.29Å; D281-C311 PolarHBondContact OD1-N 3.02Å; D281-C311 PolarHBondContact OD2-SG 3.2Å; D281-Y314 HydrophobicContact CB-CD1 4.22Å; D281-Y314 HydrophobicContact CB-CG 4.32Å; D281-Y314 WeakPolarHBondContact OD2-CD1 3.39Å
282	Q	94.2	Very high	92.4	Very high	90 Å²	90	32.8 Å²	32.8	42%	0.421	18%	0.179	S	C	.	.	I	π-helix	trans	-85.9	-8.4	-172.1	-58.5	-66.6	-63.3	0	0	113.5	H278 A286 Y314	H278-Q282 WeakPolarHBondContact O-CA 3.23Å; H278-Q282 WeakPolarHBondContact O-CB 3.27Å; H278-Q282 PolarHBondContact O-N 3.21Å; Q282-A286 WeakPolarHBondContact O-CB 3.32Å; Q282-Y314 HydrophobicContact CG-CD1 3.95Å; Q282-Y314 HydrophobicContact CG-CE1 3.34Å
283	V	94.4	Very high	92.8	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.012	19%	0.187	C	C	.	.	I	π-helix	trans	-115.5	-72.1	173.5	-167.3	0	0	0	0	110.6	H278 L279 D281 H287 I383 R388	H278-V283 PolarHBondContact O-N 2.84Å; L279-V283 HydrophobicContact CD1-CB 4.16Å; L279-V283 HydrophobicContact CD1-CG1 4.42Å; L279-V283 HydrophobicContact CD1-CG2 4.18Å; L279-V283 WeakPolarHBondContact O-CB 3.47Å; D281-V283 PolarHBondContact O-N 2.64Å; V283-H287 VanDerWaalsContact O-CB 3.29Å; V283-H287 WeakPolarHBondContact O-CB 3.46Å; V283-H287 PolarHBondContact O-CD2 2.63Å; V283-H287 PolarHBondContact O-N 2.77Å; V283-I383 HydrophobicContact CG1-CD1 4.08Å; V283-I383 HydrophobicContact CG1-CG1 4.12Å; V283-I383 HydrophobicContact CG1-CG2 3.81Å; V283-R388 VanDerWaalsContact CG2-NH1 3.33Å
284	F	94.9	Very high	92.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.216	C	C	.	.	I	π-helix	trans	-62.7	-55	-175.2	-78.9	-72.1	0	0	0	112.8	L279 L288 F307 V380 I383 Q384 L394	L279-F284 HydrophobicContact CD1-CD2 4.35Å; L279-F284 HydrophobicContact CD1-CE2 4.17Å; L279-F284 HydrophobicContact CD2-CE2 4.34Å; L279-F284 HydrophobicContact CG-CD2 4.09Å; L279-F284 HydrophobicContact CG-CE2 3.97Å; L279-F284 WeakPolarHBondContact O-CD2 3.27Å; L279-F284 PolarHBondContact O-N 3.49Å; F284-L288 VanDerWaalsContact O-CB 3.31Å; F284-L288 WeakPolarHBondContact O-CB 3.47Å; F284-L288 WeakPolarHBondContact O-CD1 3.38Å; F284-L288 WeakPolarHBondContact O-CG 3.49Å; F284-L288 PolarHBondContact O-N 2.92Å; F284-L288 VanDerWaalsContact O-N 3.15Å; F284-F307 HydrophobicContact CB-CE1 4Å; F284-F307 HydrophobicContact CB-CZ 3.75Å; F284-V380 HydrophobicContact CE1-CG1 4.33Å; F284-I383 HydrophobicContact CD1-CB 4.05Å; F284-I383 HydrophobicContact CD1-CD1 3.66Å; F284-I383 HydrophobicContact CD1-CG1 4.48Å; F284-I383 HydrophobicContact CD1-CG2 3.87Å; F284-I383 HydrophobicContact CD2-CG2 4.08Å; F284-I383 HydrophobicContact CE1-CB 3.59Å; F284-I383 HydrophobicContact CE1-CD1 4.09Å; F284-I383 HydrophobicContact CE1-CG1 4.46Å; F284-I383 HydrophobicContact CE1-CG2 3.49Å; F284-I383 VanDerWaalsContact CE1-CG2 3.49Å; F284-I383 HydrophobicContact CE2-CG2 3.71Å; F284-I383 HydrophobicContact CG-CD1 4.26Å; F284-I383 HydrophobicContact CG-CG2 4.16Å; F284-I383 HydrophobicContact CZ-CB 3.95Å; F284-I383 HydrophobicContact CZ-CG2 3.4Å; F284-Q384 HydrophobicContact CZ-CG 4.45Å; F284-L394 HydrophobicContact CB-CD1 4.08Å; F284-L394 HydrophobicContact CD1-CB 4.44Å; F284-L394 HydrophobicContact CD1-CD1 3.98Å; F284-L394 HydrophobicContact CD1-CD2 4.35Å; F284-L394 HydrophobicContact CD1-CG 4.48Å; F284-L394 HydrophobicContact CD2-CD1 3.87Å; F284-L394 HydrophobicContact CE1-CB 4.01Å; F284-L394 HydrophobicContact CE1-CD1 4.31Å; F284-L394 HydrophobicContact CE2-CD1 4.22Å; F284-L394 HydrophobicContact CG-CD1 3.75Å; F284-L394 HydrophobicContact CZ-CB 4.1Å; F284-L394 HydrophobicContact CZ-CD1 4.42Å
285	C	95.1	Very high	92.5	Very high	10 Å²	10	50.8 Å²	50.8	7%	0.068	25%	0.248	C	C	.	.	I	π-helix	trans	-64.6	-45.2	-179.3	-172.7	0	0	0	0	111.6	L280 D281 L288 L289 F307	L280-C285 WeakPolarHBondContact O-CB 3.4Å; L280-C285 PolarHBondContact O-N 3.28Å; D281-C285 WeakPolarHBondContact O-CB 3.49Å; C285-L288 PolarHBondContact O-N 2.9Å; C285-L289 VanDerWaalsContact O-CB 3.31Å; C285-L289 WeakPolarHBondContact O-CB 3.35Å; C285-L289 WeakPolarHBondContact O-CG 3.46Å; C285-L289 PolarHBondContact O-N 3.28Å; C285-F307 HydrophobicContact CB-CB 4.14Å; C285-F307 HydrophobicContact CB-CD1 3.81Å; C285-F307 HydrophobicContact CB-CD2 3.71Å; C285-F307 HydrophobicContact CB-CE1 4.16Å; C285-F307 HydrophobicContact CB-CE2 4.09Å; C285-F307 HydrophobicContact CB-CG 3.58Å; C285-F307 HydrophobicContact CB-CZ 4.31Å
286	A	94.1	Very high	92.3	Very high	36 Å²	36	52.2 Å²	52.2	30%	0.298	26%	0.258	S	S	.	.	H	α-helix	trans	-58.6	-53.6	178.1	0	0	0	0	0	113.4	D281 Q282 L288 L289 E290	D281-A286 PolarHBondContact O-N 3.09Å; Q282-A286 WeakPolarHBondContact O-CB 3.32Å; A286-L288 VanDerWaalsContact C-N 3.33Å; A286-L288 PolarHBondContact O-N 2.94Å; A286-L289 PolarHBondContact O-N 2.87Å; A286-E290 PolarHBondContact O-N 2.77Å
287	H	94.3	Very high	92.2	Very high	84 Å²	84	51.3 Å²	51.3	39%	0.389	26%	0.259	S	S	.	.	H	α-helix	trans	-63	-39.7	-179.6	-75.5	-137.6	0	0	0	111.7	V283 E290 E291 I379 I383	V283-H287 VanDerWaalsContact O-CB 3.29Å; V283-H287 WeakPolarHBondContact O-CB 3.46Å; V283-H287 PolarHBondContact O-CD2 2.63Å; V283-H287 PolarHBondContact O-N 2.77Å; H287-E290 PolarHBondContact O-N 2.82Å; H287-E291 PolarHBondContact O-N 2.68Å; H287-I379 HydrophobicContact CB-CG2 4.04Å; H287-I383 HydrophobicContact CB-CD1 4.28Å
288	L	94.3	Very high	92.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-70.3	-36.5	177.8	-68.9	170.8	0	0	0	112	F284 C285 A286 A292 F298 V303 F307 F376 I379 V380	F284-L288 VanDerWaalsContact O-CB 3.31Å; F284-L288 WeakPolarHBondContact O-CB 3.47Å; F284-L288 WeakPolarHBondContact O-CD1 3.38Å; F284-L288 WeakPolarHBondContact O-CG 3.49Å; F284-L288 PolarHBondContact O-N 2.92Å; F284-L288 VanDerWaalsContact O-N 3.15Å; C285-L288 PolarHBondContact O-N 2.9Å; A286-L288 VanDerWaalsContact C-N 3.33Å; A286-L288 PolarHBondContact O-N 2.94Å; L288-A292 WeakPolarHBondContact O-CB 3.5Å; L288-A292 PolarHBondContact O-N 3.35Å; L288-F298 HydrophobicContact CB-CE2 4.1Å; L288-F298 HydrophobicContact CB-CZ 4.21Å; L288-F298 HydrophobicContact CD2-CE1 4.45Å; L288-F298 HydrophobicContact CD2-CE2 4.16Å; L288-F298 HydrophobicContact CD2-CZ 3.61Å; L288-F298 WeakPolarHBondContact O-CE2 3.11Å; L288-F298 WeakPolarHBondContact O-CZ 3.21Å; L288-V303 HydrophobicContact CB-CG1 3.8Å; L288-V303 HydrophobicContact CB-CG2 4.23Å; L288-F307 HydrophobicContact CD1-CE2 3.84Å; L288-F307 HydrophobicContact CD1-CZ 4.15Å; L288-F376 HydrophobicContact CD1-CE2 3.9Å; L288-F376 HydrophobicContact CD1-CZ 4.23Å; L288-F376 HydrophobicContact CD2-CD2 3.77Å; L288-F376 HydrophobicContact CD2-CE2 3.96Å; L288-F376 HydrophobicContact CD2-CG 4.37Å; L288-F376 HydrophobicContact CG-CE2 4.5Å; L288-I379 HydrophobicContact CD2-CB 4.02Å; L288-I379 HydrophobicContact CD2-CD1 4.28Å; L288-I379 HydrophobicContact CD2-CG2 3.74Å; L288-I379 HydrophobicContact CG-CG2 4.13Å; L288-V380 HydrophobicContact CD1-CG2 4.17Å; L288-V380 HydrophobicContact CD2-CG2 4.4Å
289	L	93.3	Very high	92	Very high	27 Å²	27	51.1 Å²	51.1	14%	0.141	26%	0.263	C	S	.	.	H	α-helix	trans	-66.3	-37.5	171.8	-83	171.3	0	0	0	112.3	C285 A286 R293 C300 V303	C285-L289 VanDerWaalsContact O-CB 3.31Å; C285-L289 WeakPolarHBondContact O-CB 3.35Å; C285-L289 WeakPolarHBondContact O-CG 3.46Å; C285-L289 PolarHBondContact O-N 3.28Å; A286-L289 PolarHBondContact O-N 2.87Å; L289-R293 WeakPolarHBondContact O-CB 3.48Å; L289-R293 WeakPolarHBondContact O-CD 3.39Å; L289-R293 WeakPolarHBondContact O-CG 3.03Å; L289-R293 PolarHBondContact O-N 2.86Å; L289-C300 HydrophobicContact CD2-CB 4.45Å; L289-V303 HydrophobicContact CD2-CB 3.96Å; L289-V303 HydrophobicContact CD2-CG1 4.2Å; L289-V303 HydrophobicContact CD2-CG2 4.46Å; L289-V303 HydrophobicContact CG-CB 4.15Å; L289-V303 HydrophobicContact CG-CG1 3.81Å
290	E	93.1	Very high	91.9	Very high	122 Å²	122	52.4 Å²	52.4	57%	0.57	27%	0.273	S	S	*	.	H	α-helix	trans	-66	-50.5	177	-171.5	177.4	176.8	0	0	111.3	A286 H287 A292 R293 C294	A286-E290 PolarHBondContact O-N 2.77Å; H287-E290 PolarHBondContact O-N 2.82Å; E290-A292 VanDerWaalsContact C-N 3.33Å; E290-A292 PolarHBondContact O-N 2.9Å; E290-R293 PolarHBondContact O-N 3.04Å; E290-R293 VanDerWaalsContact O-N 3.14Å; E290-C294 VanDerWaalsContact O-CB 3.28Å; E290-C294 WeakPolarHBondContact O-CB 3.36Å; E290-C294 PolarHBondContact O-N 3.26Å; E290-C294 PolarHBondContact O-SG 2.95Å; E290-C294 VanDerWaalsContact O-SG 3.41Å
291	E	92	Very high	91.8	Very high	26 Å²	26	58 Å²	58	12%	0.121	30%	0.302	C	S	.	.	H	α-helix	trans	-58.9	-43.1	175.7	172.2	63.4	-166.1	0	0	111.8	H287 R293 R295 S296 S297 F298 I379	H287-E291 PolarHBondContact O-N 2.68Å; E291-R293 VanDerWaalsContact C-N 3.3Å; E291-R293 PolarHBondContact O-N 2.59Å; E291-R295 PolarHBondContact O-N 3.06Å; E291-R295 WeakPolarHBondContact OE1-CB 3.37Å; E291-R295 WeakPolarHBondContact OE2-CD 3.45Å; E291-R295 VanDerWaalsContact OE2-CG 3.31Å; E291-R295 WeakPolarHBondContact OE2-CG 3.27Å; E291-R295 IonicContact OE2-NE 2.83Å; E291-R295 PolarHBondContact OE2-NE 2.86Å; E291-S296 PolarHBondContact O-N 3.35Å; E291-S297 VanDerWaalsContact CG-OG 3.3Å; E291-S297 WeakPolarHBondContact CG-OG 3.36Å; E291-S297 WeakPolarHBondContact OE1-CB 3.43Å; E291-S297 PolarHBondContact OE1-OG 3.33Å; E291-F298 HydrophobicContact CB-CE1 4.47Å; E291-F298 HydrophobicContact CB-CZ 4.14Å; E291-F298 HydrophobicContact CG-CE1 3.72Å; E291-F298 HydrophobicContact CG-CZ 3.89Å; E291-I379 HydrophobicContact CB-CD1 3.54Å; E291-I379 HydrophobicContact CG-CD1 3.59Å
292	A	91.3	Very high	91.7	Very high	7 Å²	7	58.2 Å²	58.2	6%	0.058	30%	0.304	C	S	.	.	H	α-helix	trans	-60.2	-36.7	175.9	0	0	0	0	0	113.1	L288 E290 S296 F298 V303	L288-A292 WeakPolarHBondContact O-CB 3.5Å; L288-A292 PolarHBondContact O-N 3.35Å; E290-A292 VanDerWaalsContact C-N 3.33Å; E290-A292 PolarHBondContact O-N 2.9Å; A292-S296 WeakPolarHBondContact O-CA 3.44Å; A292-S296 PolarHBondContact O-N 2.69Å; A292-F298 HydrophobicContact CB-CD2 3.93Å; A292-F298 HydrophobicContact CB-CE2 3.81Å; A292-F298 VanDerWaalsContact CB-O 3.31Å; A292-F298 WeakPolarHBondContact CB-O 3.32Å; A292-V303 HydrophobicContact CB-CG2 4.21Å
293	R	91.3	Very high	91.6	Very high	168 Å²	168	54 Å²	54	63%	0.634	28%	0.284	S	S	*	.	H	α-helix	trans	-79.9	-46.5	178.5	-72	166.4	-177.9	164	0.3	112.5	L289 E290 E291	L289-R293 WeakPolarHBondContact O-CB 3.48Å; L289-R293 WeakPolarHBondContact O-CD 3.39Å; L289-R293 WeakPolarHBondContact O-CG 3.03Å; L289-R293 PolarHBondContact O-N 2.86Å; E290-R293 PolarHBondContact O-N 3.04Å; E290-R293 VanDerWaalsContact O-N 3.14Å; E291-R293 VanDerWaalsContact C-N 3.3Å; E291-R293 PolarHBondContact O-N 2.59Å
294	C	89.6	Confident	91.5	Very high	94 Å²	94	59.5 Å²	59.5	64%	0.635	31%	0.31	S	S	*	.	H	α-helix	trans	-82.7	-27.8	-170.2	-66.3	0	0	0	0	113.1	E290	E290-C294 VanDerWaalsContact O-CB 3.28Å; E290-C294 WeakPolarHBondContact O-CB 3.36Å; E290-C294 PolarHBondContact O-N 3.26Å; E290-C294 PolarHBondContact O-SG 2.95Å; E290-C294 VanDerWaalsContact O-SG 3.41Å
295	R	84.8	Confident	91.3	Very high	185 Å²	185	59.7 Å²	59.7	70%	0.698	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.4	-9.9	-177.8	-53.6	-158.9	-168	-165.9	-1	114.8	E291 S297	E291-R295 PolarHBondContact O-N 3.06Å; E291-R295 WeakPolarHBondContact OE1-CB 3.37Å; E291-R295 WeakPolarHBondContact OE2-CD 3.45Å; E291-R295 VanDerWaalsContact OE2-CG 3.31Å; E291-R295 WeakPolarHBondContact OE2-CG 3.27Å; E291-R295 IonicContact OE2-NE 2.83Å; E291-R295 PolarHBondContact OE2-NE 2.86Å; R295-S297 PolarHBondContact O-N 3.39Å; R295-S297 VanDerWaalsContact O-N 3.11Å
296	S	84.7	Confident	91.3	Very high	103 Å²	103	59.3 Å²	59.3	72%	0.72	31%	0.309	S	S	*	.			trans	56.5	21.9	179.9	66.5	0	0	0	0	115.2	E291 A292 F298	E291-S296 PolarHBondContact O-N 3.35Å; A292-S296 WeakPolarHBondContact O-CA 3.44Å; A292-S296 PolarHBondContact O-N 2.69Å; S296-F298 PolarHBondContact O-N 2.87Å
297	S	84.7	Confident	91.2	Very high	36 Å²	36	57.6 Å²	57.6	25%	0.252	30%	0.295	S	S	.	.	S	Bend	trans	-70.8	-12.9	-177	58.8	0	0	0	0	113.9	E291 R295 S373	E291-S297 VanDerWaalsContact CG-OG 3.3Å; E291-S297 WeakPolarHBondContact CG-OG 3.36Å; E291-S297 WeakPolarHBondContact OE1-CB 3.43Å; E291-S297 PolarHBondContact OE1-OG 3.33Å; R295-S297 PolarHBondContact O-N 3.39Å; R295-S297 VanDerWaalsContact O-N 3.11Å; S297-S373 PolarHBondContact O-OG 3.35Å
298	F	91.7	Very high	91.1	Very high	3 Å²	3	55.4 Å²	55.4	1%	0.013	29%	0.289	C	S	.	.	S	Bend	trans	-157	152.4	164.2	43.7	-85.8	0	0	0	109.8	L288 E291 A292 S296 V303 W369 F376	L288-F298 HydrophobicContact CB-CE2 4.1Å; L288-F298 HydrophobicContact CB-CZ 4.21Å; L288-F298 HydrophobicContact CD2-CE1 4.45Å; L288-F298 HydrophobicContact CD2-CE2 4.16Å; L288-F298 HydrophobicContact CD2-CZ 3.61Å; L288-F298 WeakPolarHBondContact O-CE2 3.11Å; L288-F298 WeakPolarHBondContact O-CZ 3.21Å; E291-F298 HydrophobicContact CB-CE1 4.47Å; E291-F298 HydrophobicContact CB-CZ 4.14Å; E291-F298 HydrophobicContact CG-CE1 3.72Å; E291-F298 HydrophobicContact CG-CZ 3.89Å; A292-F298 HydrophobicContact CB-CD2 3.93Å; A292-F298 HydrophobicContact CB-CE2 3.81Å; A292-F298 VanDerWaalsContact CB-O 3.31Å; A292-F298 WeakPolarHBondContact CB-O 3.32Å; S296-F298 PolarHBondContact O-N 2.87Å; F298-V303 HydrophobicContact CD2-CG2 3.83Å; F298-V303 HydrophobicContact CE2-CG2 3.59Å; F298-W369 HydrophobicContact CB-CD2 4.37Å; F298-W369 HydrophobicContact CB-CE3 3.82Å; F298-W369 HydrophobicContact CB-CH2 3.73Å; F298-W369 HydrophobicContact CB-CZ2 4.32Å; F298-W369 HydrophobicContact CB-CZ3 3.49Å; F298-W369 VanDerWaalsContact CB-CZ3 3.49Å; F298-F376 HydrophobicContact CD1-CB 3.88Å; F298-F376 HydrophobicContact CD1-CD2 4.12Å; F298-F376 HydrophobicContact CD2-CD2 4.08Å; F298-F376 HydrophobicContact CE1-CB 3.8Å; F298-F376 AromaticContact CE1-CD2 3.98Å; F298-F376 HydrophobicContact CE1-CD2 3.98Å; F298-F376 HydrophobicContact CE1-CG 4.4Å; F298-F376 AromaticContact CE2-CD2 3.91Å; F298-F376 HydrophobicContact CE2-CD2 3.91Å; F298-F376 HydrophobicContact CE2-CE2 4.48Å; F298-F376 HydrophobicContact CG-CD2 4.2Å; F298-F376 HydrophobicContact CZ-CB 4.47Å; F298-F376 AromaticContact CZ-CD2 3.87Å; F298-F376 HydrophobicContact CZ-CD2 3.87Å
299	P	91.8	Very high	91	Very high	66 Å²	66	56.1 Å²	56.1	43%	0.429	29%	0.293	S	S	.	.			trans	-65	146.3	-179.7	-21.7	32.6	0	0	0	113.6	D301 V302	P299-D301 PolarHBondContact O-N 2.75Å; P299-V302 HydrophobicContact CB-CG2 4.22Å; P299-V302 HydrophobicContact CG-CG2 4.25Å; P299-V302 WeakPolarHBondContact O-CB 3.35Å; P299-V302 PolarHBondContact O-N 2.76Å; P299-V302 VanDerWaalsContact O-N 3.11Å
300	C	91.1	Very high	91.1	Very high	33 Å²	33	54.9 Å²	54.9	22%	0.223	29%	0.286	C	S	.	.	H	α-helix	trans	-58.2	-36.3	173.9	-72.2	0	0	0	0	112.6	L289 V302 V303 Q304	L289-C300 HydrophobicContact CD2-CB 4.45Å; C300-V302 PolarHBondContact O-N 3.23Å; C300-V302 VanDerWaalsContact O-N 3.15Å; C300-V303 PolarHBondContact O-N 3.42Å; C300-Q304 PolarHBondContact O-N 2.92Å
301	D	91.8	Very high	91.1	Very high	117 Å²	117	51.8 Å²	51.8	63%	0.626	28%	0.278	S	S	*	.	H	α-helix	trans	-58.8	-25.1	178.3	-50.1	4.8	0	0	0	112.8	P299 G305	P299-D301 PolarHBondContact O-N 2.75Å; D301-G305 WeakPolarHBondContact O-CA 3.26Å; D301-G305 PolarHBondContact O-N 3.28Å
302	V	92.6	Very high	91.3	Very high	14 Å²	14	52.8 Å²	52.8	9%	0.085	29%	0.287	C	S	.	.	H	α-helix	trans	-72.2	-44.5	173.4	171.5	0	0	0	0	110.3	P299 C300 G305 I306 L365 W369	P299-V302 HydrophobicContact CB-CG2 4.22Å; P299-V302 HydrophobicContact CG-CG2 4.25Å; P299-V302 WeakPolarHBondContact O-CB 3.35Å; P299-V302 PolarHBondContact O-N 2.76Å; P299-V302 VanDerWaalsContact O-N 3.11Å; C300-V302 PolarHBondContact O-N 3.23Å; C300-V302 VanDerWaalsContact O-N 3.15Å; V302-G305 CarbonylContact O-C 3.53Å; V302-G305 WeakPolarHBondContact O-CA 3.38Å; V302-G305 PolarHBondContact O-N 2.91Å; V302-G305 VanDerWaalsContact O-N 3.13Å; V302-I306 HydrophobicContact CG1-CD1 3.83Å; V302-I306 VanDerWaalsContact O-CG1 3.28Å; V302-I306 WeakPolarHBondContact O-CG1 3.43Å; V302-I306 PolarHBondContact O-N 2.77Å; V302-L365 HydrophobicContact CG1-CD2 4.49Å; V302-W369 HydrophobicContact CG1-CD2 4.26Å; V302-W369 HydrophobicContact CG1-CG 3.93Å; V302-W369 VanDerWaalsContact CG1-NE1 3.32Å; V302-W369 HydrophobicContact CG2-CZ2 3.63Å
303	V	93.7	Very high	91.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-66.2	-43.8	179.1	-162.1	0	0	0	0	109.5	L288 L289 A292 F298 C300 G305 I306 F307	L288-V303 HydrophobicContact CB-CG1 3.8Å; L288-V303 HydrophobicContact CB-CG2 4.23Å; L289-V303 HydrophobicContact CD2-CB 3.96Å; L289-V303 HydrophobicContact CD2-CG1 4.2Å; L289-V303 HydrophobicContact CD2-CG2 4.46Å; L289-V303 HydrophobicContact CG-CB 4.15Å; L289-V303 HydrophobicContact CG-CG1 3.81Å; A292-V303 HydrophobicContact CB-CG2 4.21Å; F298-V303 HydrophobicContact CD2-CG2 3.83Å; F298-V303 HydrophobicContact CE2-CG2 3.59Å; C300-V303 PolarHBondContact O-N 3.42Å; V303-G305 VanDerWaalsContact C-N 3.3Å; V303-G305 PolarHBondContact O-N 2.85Å; V303-I306 PolarHBondContact O-N 3.32Å; V303-F307 HydrophobicContact CG1-CD2 3.62Å; V303-F307 HydrophobicContact CG1-CE2 3.91Å; V303-F307 WeakPolarHBondContact O-CD2 3.31Å; V303-F307 PolarHBondContact O-N 3.08Å
304	Q	91.6	Very high	91.7	Very high	119 Å²	119	45.6 Å²	45.6	56%	0.556	26%	0.259	S	S	*	.	H	α-helix	trans	-60.3	-38.8	170	-65.3	177.6	-0.2	0	0	112.2	C300 I306 S308	C300-Q304 PolarHBondContact O-N 2.92Å; Q304-I306 VanDerWaalsContact C-N 3.32Å; Q304-I306 PolarHBondContact O-N 2.96Å; Q304-S308 VanDerWaalsContact O-CA 3.3Å; Q304-S308 WeakPolarHBondContact O-CA 3.38Å; Q304-S308 PolarHBondContact O-N 2.78Å
305	G	91.6	Very high	91.9	Very high	4 Å²	4	42.1 Å²	42.1	4%	0.041	24%	0.236	C	C	.	.	H	α-helix	trans	-68.8	-23.9	175.7	0	0	0	0	0	114.8	D301 V302 V303 N358	D301-G305 WeakPolarHBondContact O-CA 3.26Å; D301-G305 PolarHBondContact O-N 3.28Å; V302-G305 CarbonylContact O-C 3.53Å; V302-G305 WeakPolarHBondContact O-CA 3.38Å; V302-G305 PolarHBondContact O-N 2.91Å; V302-G305 VanDerWaalsContact O-N 3.13Å; V303-G305 VanDerWaalsContact C-N 3.3Å; V303-G305 PolarHBondContact O-N 2.85Å; G305-N358 PolarHBondContact O-ND2 2.97Å
306	I	93.3	Very high	92.4	Very high	1 Å²	1	34 Å²	34	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-85.5	-49	174.8	-70.3	165.6	0	0	0	110.7	V302 V303 Q304 A362 L365 V366 F376 M398	V302-I306 HydrophobicContact CG1-CD1 3.83Å; V302-I306 VanDerWaalsContact O-CG1 3.28Å; V302-I306 WeakPolarHBondContact O-CG1 3.43Å; V302-I306 PolarHBondContact O-N 2.77Å; V303-I306 PolarHBondContact O-N 3.32Å; Q304-I306 VanDerWaalsContact C-N 3.32Å; Q304-I306 PolarHBondContact O-N 2.96Å; I306-A362 WeakPolarHBondContact O-CB 3.34Å; I306-L365 HydrophobicContact CD1-CB 4.1Å; I306-L365 HydrophobicContact CG1-CB 3.56Å; I306-L365 HydrophobicContact CG1-CD1 4.31Å; I306-V366 HydrophobicContact CB-CG2 4.43Å; I306-V366 HydrophobicContact CD1-CG2 3.95Å; I306-V366 HydrophobicContact CG1-CG2 3.98Å; I306-V366 HydrophobicContact CG2-CG2 3.57Å; I306-F376 HydrophobicContact CD1-CE2 3.85Å; I306-F376 HydrophobicContact CD1-CZ 3.7Å; I306-M398 HydrophobicContact CG2-CE 3.86Å; I306-M398 HydrophobicContact CG2-SD 4.24Å
307	F	93.8	Very high	93	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-91.2	-14.4	-171.1	-70	-75.4	0	0	0	113.8	L280 F284 C285 L288 V303 N309 I310 L394	L280-F307 HydrophobicContact CD2-CE1 4.42Å; F284-F307 HydrophobicContact CB-CE1 4Å; F284-F307 HydrophobicContact CB-CZ 3.75Å; C285-F307 HydrophobicContact CB-CB 4.14Å; C285-F307 HydrophobicContact CB-CD1 3.81Å; C285-F307 HydrophobicContact CB-CD2 3.71Å; C285-F307 HydrophobicContact CB-CE1 4.16Å; C285-F307 HydrophobicContact CB-CE2 4.09Å; C285-F307 HydrophobicContact CB-CG 3.58Å; C285-F307 HydrophobicContact CB-CZ 4.31Å; L288-F307 HydrophobicContact CD1-CE2 3.84Å; L288-F307 HydrophobicContact CD1-CZ 4.15Å; V303-F307 HydrophobicContact CG1-CD2 3.62Å; V303-F307 HydrophobicContact CG1-CE2 3.91Å; V303-F307 WeakPolarHBondContact O-CD2 3.31Å; V303-F307 PolarHBondContact O-N 3.08Å; F307-N309 PolarHBondContact O-N 2.79Å; F307-I310 HydrophobicContact CB-CG2 3.73Å; F307-I310 HydrophobicContact CD1-CG2 4.17Å; F307-I310 HydrophobicContact CG-CG2 4.39Å; F307-I310 VanDerWaalsContact O-CB 3.24Å; F307-I310 WeakPolarHBondContact O-CB 3.47Å; F307-I310 WeakPolarHBondContact O-CG2 3.4Å; F307-I310 PolarHBondContact O-N 2.66Å; F307-L394 HydrophobicContact CE1-CD1 3.91Å; F307-L394 HydrophobicContact CZ-CD1 3.89Å; F307-L394 HydrophobicContact CZ-CD2 4.23Å
308	S	91.7	Very high	93.5	Very high	37 Å²	37	30.6 Å²	30.6	26%	0.259	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	-131.3	176.5	-170.8	0	0	0	0	111	Q304 I310	Q304-S308 VanDerWaalsContact O-CA 3.3Å; Q304-S308 WeakPolarHBondContact O-CA 3.38Å; Q304-S308 PolarHBondContact O-N 2.78Å; S308-I310 VanDerWaalsContact C-N 3.35Å
309	N	92.8	Very high	93.7	Very high	15 Å²	15	35.2 Å²	35.2	8%	0.08	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	23.4	177.3	70.7	-2.3	0	0	0	114.1	F307 C311 S312 I313 M351 E354 Y355	F307-N309 PolarHBondContact O-N 2.79Å; N309-C311 PolarHBondContact O-N 3.03Å; N309-C311 VanDerWaalsContact O-N 3.13Å; N309-S312 WeakPolarHBondContact O-CB 3.24Å; N309-S312 PolarHBondContact O-N 3.19Å; N309-I313 PolarHBondContact O-N 3.42Å; N309-M351 PolarHBondContact ND2-O 2.83Å; N309-E354 PolarHBondContact ND2-OE2 3.19Å; N309-Y355 WeakPolarHBondContact OD1-CB 3.21Å
310	I	94.6	Very high	93.8	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-55.2	-34.5	-178.6	-163.1	71.9	0	0	0	112.8	L277 L280 D281 F307 S308 S312 I313 Y314 Y355 P401	L277-I310 HydrophobicContact CD2-CD1 3.67Å; L277-I310 HydrophobicContact CD2-CG1 4.33Å; L280-I310 HydrophobicContact CB-CG1 4.1Å; L280-I310 HydrophobicContact CD1-CD1 3.88Å; L280-I310 HydrophobicContact CD1-CG1 4.25Å; D281-I310 HydrophobicContact CB-CG2 4.23Å; F307-I310 HydrophobicContact CB-CG2 3.73Å; F307-I310 HydrophobicContact CD1-CG2 4.17Å; F307-I310 HydrophobicContact CG-CG2 4.39Å; F307-I310 VanDerWaalsContact O-CB 3.24Å; F307-I310 WeakPolarHBondContact O-CB 3.47Å; F307-I310 WeakPolarHBondContact O-CG2 3.4Å; F307-I310 PolarHBondContact O-N 2.66Å; S308-I310 VanDerWaalsContact C-N 3.35Å; I310-S312 VanDerWaalsContact C-N 3.32Å; I310-S312 PolarHBondContact O-N 3.2Å; I310-I313 CarbonylContact O-C 3.6Å; I310-I313 WeakPolarHBondContact O-CB 3.14Å; I310-I313 PolarHBondContact O-N 3.22Å; I310-I313 VanDerWaalsContact O-N 3.13Å; I310-Y314 PolarHBondContact O-N 3.43Å; I310-Y355 HydrophobicContact CB-CD2 4.48Å; I310-Y355 HydrophobicContact CB-CE2 3.99Å; I310-Y355 HydrophobicContact CD1-CD2 4.33Å; I310-Y355 HydrophobicContact CD1-CE2 3.71Å; I310-Y355 HydrophobicContact CG1-CE2 4.37Å; I310-P401 HydrophobicContact CD1-CB 4.34Å; I310-P401 HydrophobicContact CD1-CG 3.61Å
311	C	93.9	Very high	94	Very high	58 Å²	58	34.4 Å²	34.4	39%	0.392	18%	0.182	S	C	.	.	H	α-helix	trans	-61.6	-41.9	178	-165.6	0	0	0	0	111.4	D281 N309 I313 Y314 C315	D281-C311 VanDerWaalsContact OD1-CA 3.25Å; D281-C311 WeakPolarHBondContact OD1-CA 3.36Å; D281-C311 WeakPolarHBondContact OD1-CB 3.29Å; D281-C311 PolarHBondContact OD1-N 3.02Å; D281-C311 PolarHBondContact OD2-SG 3.2Å; N309-C311 PolarHBondContact O-N 3.03Å; N309-C311 VanDerWaalsContact O-N 3.13Å; C311-I313 VanDerWaalsContact C-N 3.34Å; C311-I313 PolarHBondContact O-N 2.98Å; C311-Y314 PolarHBondContact O-N 3.42Å; C311-C315 PolarHBondContact O-N 3.34Å; C311-C315 PolarHBondContact O-SG 3.36Å; C311-C315 VanDerWaalsContact O-SG 3.33Å
312	S	94.6	Very high	94.1	Very high	46 Å²	46	29.3 Å²	29.3	32%	0.322	16%	0.155	S	C	.	.	H	α-helix	trans	-63.4	-40.9	174.3	-51.2	0	0	0	0	111.5	N309 I310 F316 M351	N309-S312 WeakPolarHBondContact O-CB 3.24Å; N309-S312 PolarHBondContact O-N 3.19Å; I310-S312 VanDerWaalsContact C-N 3.32Å; I310-S312 PolarHBondContact O-N 3.2Å; S312-F316 WeakPolarHBondContact O-CB 3.35Å; S312-F316 PolarHBondContact O-N 3.33Å; S312-M351 VanDerWaalsContact CB-CE 3.48Å; S312-M351 WeakPolarHBondContact O-CE 3.42Å
313	I	94.1	Very high	94.3	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.3	-47.8	176	-63.7	174.8	0	0	0	110.1	L277 N309 I310 C311 F316 H317 M351 Y352 Y355	L277-I313 HydrophobicContact CD1-CG2 4.01Å; L277-I313 HydrophobicContact CD2-CG2 3.8Å; N309-I313 PolarHBondContact O-N 3.42Å; I310-I313 CarbonylContact O-C 3.6Å; I310-I313 WeakPolarHBondContact O-CB 3.14Å; I310-I313 PolarHBondContact O-N 3.22Å; I310-I313 VanDerWaalsContact O-N 3.13Å; C311-I313 VanDerWaalsContact C-N 3.34Å; C311-I313 PolarHBondContact O-N 2.98Å; I313-F316 PolarHBondContact O-N 3.14Å; I313-H317 PolarHBondContact O-CD2 3.5Å; I313-H317 VanDerWaalsContact O-CD2 3.26Å; I313-H317 PolarHBondContact O-N 2.92Å; I313-M351 HydrophobicContact CG1-CE 3.99Å; I313-M351 HydrophobicContact CG1-CG 4.09Å; I313-M351 HydrophobicContact CG1-SD 4.22Å; I313-Y352 HydrophobicContact CD1-CD1 4.1Å; I313-Y352 HydrophobicContact CD1-CE1 4.15Å; I313-Y352 HydrophobicContact CD1-CG 4.31Å; I313-Y352 HydrophobicContact CG1-CE2 4.43Å; I313-Y352 HydrophobicContact CG2-CE1 4.03Å; I313-Y352 HydrophobicContact CG2-CE2 4.08Å; I313-Y352 WeakPolarHBondContact CG2-OH 3.24Å; I313-Y355 HydrophobicContact CD1-CD2 4.15Å; I313-Y355 HydrophobicContact CD1-CG 4Å
314	Y	96.4	Very high	94.4	Very high	25 Å²	25	32.5 Å²	32.5	10%	0.098	18%	0.179	C	C	.	.	H	α-helix	trans	-58.7	-49.7	176.5	175.4	-122	0	0	0	111.8	V274 L277 H278 D281 Q282 I310 C311 F316 H317 Q318	V274-Y314 HydrophobicContact CG1-CE2 4.17Å; L277-Y314 HydrophobicContact CB-CD2 3.66Å; L277-Y314 HydrophobicContact CB-CG 4.3Å; H278-Y314 HydrophobicContact CB-CE2 3.75Å; H278-Y314 AromaticContact ND1-CZ 3.73Å; H278-Y314 PolarHBondContact ND1-OH 2.72Å; D281-Y314 HydrophobicContact CB-CD1 4.22Å; D281-Y314 HydrophobicContact CB-CG 4.32Å; D281-Y314 WeakPolarHBondContact OD2-CD1 3.39Å; Q282-Y314 HydrophobicContact CG-CD1 3.95Å; Q282-Y314 HydrophobicContact CG-CE1 3.34Å; I310-Y314 PolarHBondContact O-N 3.43Å; C311-Y314 PolarHBondContact O-N 3.42Å; Y314-F316 PolarHBondContact O-N 3.29Å; Y314-H317 PolarHBondContact O-N 3.38Å; Y314-Q318 HydrophobicContact CD2-CB 4.07Å; Y314-Q318 HydrophobicContact CE2-CB 3.77Å; Y314-Q318 HydrophobicContact CE2-CG 3.95Å; Y314-Q318 WeakPolarHBondContact O-CB 3.22Å; Y314-Q318 PolarHBondContact O-N 3.43Å; Y314-Q318 PolarHBondContact OH-OE1 2.78Å
315	C	95.4	Very high	94.5	Very high	21 Å²	21	27 Å²	27	14%	0.142	15%	0.153	C	C	.	.	H	α-helix	trans	-57.5	-45.4	176.2	-69.4	0	0	0	0	112.4	C311 Q319	C311-C315 PolarHBondContact O-N 3.34Å; C311-C315 PolarHBondContact O-SG 3.36Å; C311-C315 VanDerWaalsContact O-SG 3.33Å; C315-Q319 WeakPolarHBondContact O-CB 3.41Å; C315-Q319 WeakPolarHBondContact O-CG 3.42Å; C315-Q319 PolarHBondContact O-N 2.77Å
316	F	95.7	Very high	94.7	Very high	14 Å²	14	30.5 Å²	30.5	6%	0.061	17%	0.168	C	C	.	.	H	α-helix	trans	-59.6	-49.1	178.9	170	-107.4	0	0	0	112.3	S312 I313 Y314 F320 L321 L345 F348 L349 M351	S312-F316 WeakPolarHBondContact O-CB 3.35Å; S312-F316 PolarHBondContact O-N 3.33Å; I313-F316 PolarHBondContact O-N 3.14Å; Y314-F316 PolarHBondContact O-N 3.29Å; F316-F320 HydrophobicContact CD2-CB 4.45Å; F316-F320 WeakPolarHBondContact O-CB 3.49Å; F316-F320 PolarHBondContact O-N 3.37Å; F316-F320 VanDerWaalsContact O-N 3.11Å; F316-L321 PolarHBondContact O-N 2.9Å; F316-L345 HydrophobicContact CE2-CB 4.23Å; F316-L345 HydrophobicContact CE2-CD2 4.07Å; F316-L345 HydrophobicContact CZ-CB 3.97Å; F316-L345 WeakPolarHBondContact CZ-O 3.45Å; F316-F348 HydrophobicContact CD2-CB 3.96Å; F316-F348 HydrophobicContact CD2-CG 4.31Å; F316-F348 HydrophobicContact CE2-CB 3.52Å; F316-F348 AromaticContact CE2-CD2 3.98Å; F316-F348 HydrophobicContact CE2-CD2 3.98Å; F316-F348 AromaticContact CE2-CG 3.89Å; F316-F348 HydrophobicContact CE2-CG 3.89Å; F316-F348 HydrophobicContact CZ-CB 3.86Å; F316-L349 HydrophobicContact CE1-CD2 3.7Å; F316-L349 HydrophobicContact CZ-CD2 4.33Å; F316-M351 HydrophobicContact CB-CE 4.44Å; F316-M351 HydrophobicContact CB-SD 4.2Å; F316-M351 HydrophobicContact CD1-SD 4.22Å; F316-M351 HydrophobicContact CG-SD 4.27Å
317	H	95.4	Very high	94.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.193	C	C	.	.	I	π-helix	trans	-70.8	-42.4	-179.7	-75.6	-76.2	0	0	0	112.8	E270 Y273 V274 L277 I313 Y314 L322 Y352 Y408	E270-H317 IonicContact OE1-CE1 2.69Å; E270-H317 IonicContact OE1-CG 2.76Å; E270-H317 IonicContact OE1-ND1 2.59Å; E270-H317 PolarHBondContact OE1-ND1 3.36Å; Y273-H317 AromaticContact CE1-CD2 3.94Å; Y273-H317 AromaticContact CE1-CG 3.86Å; Y273-H317 AromaticContact CE1-ND1 3.9Å; V274-H317 HydrophobicContact CG2-CB 3.79Å; L277-H317 HydrophobicContact CD1-CB 3.74Å; I313-H317 PolarHBondContact O-CD2 3.5Å; I313-H317 VanDerWaalsContact O-CD2 3.26Å; I313-H317 PolarHBondContact O-N 2.92Å; Y314-H317 PolarHBondContact O-N 3.38Å; H317-L322 VanDerWaalsContact O-CB 3.3Å; H317-L322 WeakPolarHBondContact O-CB 3.44Å; H317-L322 PolarHBondContact O-N 3.47Å; H317-Y352 PolarHBondContact CD2-OH 3.45Å; H317-Y352 AromaticContact NE2-CE2 3.7Å; H317-Y352 AromaticContact NE2-CZ 3.62Å; H317-Y352 PolarHBondContact NE2-OH 3.13Å; H317-Y408 AromaticContact CE1-CZ 3.97Å; H317-Y408 PolarHBondContact CE1-OH 3.45Å; H317-Y408 PolarHBondContact ND1-OH 2.92Å
318	Q	96.3	Very high	94.8	Very high	67 Å²	67	37 Å²	37	31%	0.313	20%	0.196	S	C	.	.	I	π-helix	trans	-71.1	-35.3	-178.2	179.7	61.9	91.3	0	0	113.8	V274 Y314 P323	V274-Q318 HydrophobicContact CG1-CB 4.16Å; V274-Q318 HydrophobicContact CG1-CG 4.48Å; V274-Q318 VanDerWaalsContact CG1-OE1 3.24Å; Y314-Q318 HydrophobicContact CD2-CB 4.07Å; Y314-Q318 HydrophobicContact CE2-CB 3.77Å; Y314-Q318 HydrophobicContact CE2-CG 3.95Å; Y314-Q318 WeakPolarHBondContact O-CB 3.22Å; Y314-Q318 PolarHBondContact O-N 3.43Å; Y314-Q318 PolarHBondContact OH-OE1 2.78Å; Q318-P323 WeakPolarHBondContact O-CD 3.48Å; Q318-P323 WeakPolarHBondContact O-CG 3.18Å
319	Q	95.1	Very high	94.9	Very high	101 Å²	101	36.8 Å²	36.8	47%	0.472	19%	0.191	S	C	.	.	I	π-helix	trans	-103.5	-22.5	-171	-57.4	173.5	-3.6	0	0	113.5	C315	C315-Q319 WeakPolarHBondContact O-CB 3.41Å; C315-Q319 WeakPolarHBondContact O-CG 3.42Å; C315-Q319 PolarHBondContact O-N 2.77Å
320	F	95.1	Very high	94.9	Very high	78 Å²	78	44 Å²	44	34%	0.342	22%	0.224	S	C	.	.	I	π-helix	trans	-120.7	-57.8	-174.6	-56.5	-95.9	0	0	0	113	F316 A324 L345	F316-F320 HydrophobicContact CD2-CB 4.45Å; F316-F320 WeakPolarHBondContact O-CB 3.49Å; F316-F320 PolarHBondContact O-N 3.37Å; F316-F320 VanDerWaalsContact O-N 3.11Å; F320-A324 VanDerWaalsContact O-CB 3.22Å; F320-A324 WeakPolarHBondContact O-CB 3.47Å; F320-A324 PolarHBondContact O-N 3.22Å; F320-L345 HydrophobicContact CB-CD2 4.33Å
321	L	93.6	Very high	94.9	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	24%	0.237	C	C	.	.	I	π-helix	trans	-73	-52.1	-172.9	-174.9	58.9	0	0	0	112.9	F316 A324 L325 I341 L342 L345 Y408	F316-L321 PolarHBondContact O-N 2.9Å; L321-A324 PolarHBondContact O-N 3.27Å; L321-L325 HydrophobicContact CD1-CD1 3.93Å; L321-L325 HydrophobicContact CD1-CG 4.11Å; L321-L325 HydrophobicContact CG-CD1 3.96Å; L321-L325 WeakPolarHBondContact O-CG 3.24Å; L321-L325 PolarHBondContact O-N 2.67Å; L321-I341 HydrophobicContact CD1-CG2 4.09Å; L321-L342 HydrophobicContact CD1-CD2 4.23Å; L321-L345 HydrophobicContact CB-CD1 4.15Å; L321-L345 HydrophobicContact CD1-CD1 3.6Å; L321-L345 HydrophobicContact CG-CD1 4.48Å; L321-Y408 HydrophobicContact CD2-CE1 4.27Å
322	L	94.5	Very high	94.8	Very high	9 Å²	9	44.7 Å²	44.7	5%	0.047	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-48	-178.9	176.1	63.5	0	0	0	112.5	L267 E270 T271 V274 H317 A324 L325 Q326	L267-L322 HydrophobicContact CD1-CD1 3.62Å; E270-L322 HydrophobicContact CB-CD1 4.35Å; E270-L322 HydrophobicContact CG-CB 4.1Å; E270-L322 HydrophobicContact CG-CD1 4.07Å; T271-L322 WeakPolarHBondContact OG1-CD1 3.34Å; V274-L322 HydrophobicContact CB-CD2 3.98Å; V274-L322 HydrophobicContact CG1-CD2 3.99Å; V274-L322 HydrophobicContact CG2-CB 4.08Å; V274-L322 HydrophobicContact CG2-CD2 3.92Å; H317-L322 VanDerWaalsContact O-CB 3.3Å; H317-L322 WeakPolarHBondContact O-CB 3.44Å; H317-L322 PolarHBondContact O-N 3.47Å; L322-A324 VanDerWaalsContact C-N 3.32Å; L322-A324 PolarHBondContact O-N 3Å; L322-L325 PolarHBondContact O-N 2.81Å; L322-Q326 HydrophobicContact CD1-CG 3.91Å; L322-Q326 HydrophobicContact CG-CG 4.28Å; L322-Q326 WeakPolarHBondContact O-CB 3.4Å; L322-Q326 VanDerWaalsContact O-CG 3.31Å; L322-Q326 WeakPolarHBondContact O-CG 3.26Å; L322-Q326 PolarHBondContact O-N 3.02Å
323	P	97	Very high	94.5	Very high	49 Å²	49	50.1 Å²	50.1	32%	0.318	25%	0.246	S	C	.	.	H	α-helix	trans	-63.7	-33.7	177.9	-24.5	36.6	0	0	0	113.7	Q318 K327	Q318-P323 WeakPolarHBondContact O-CD 3.48Å; Q318-P323 WeakPolarHBondContact O-CG 3.18Å; P323-K327 WeakPolarHBondContact O-CB 3.33Å; P323-K327 PolarHBondContact O-N 3.35Å
324	A	95.5	Very high	94.2	Very high	33 Å²	33	55.5 Å²	55.5	27%	0.273	28%	0.284	S	S	.	.	H	α-helix	trans	-67.2	-42.7	175.8	0	0	0	0	0	111.9	F320 L321 L322 R328 I341	F320-A324 VanDerWaalsContact O-CB 3.22Å; F320-A324 WeakPolarHBondContact O-CB 3.47Å; F320-A324 PolarHBondContact O-N 3.22Å; L321-A324 PolarHBondContact O-N 3.27Å; L322-A324 VanDerWaalsContact C-N 3.32Å; L322-A324 PolarHBondContact O-N 3Å; A324-R328 WeakPolarHBondContact O-CB 3.47Å; A324-R328 PolarHBondContact O-N 3.48Å; A324-I341 HydrophobicContact CB-CD1 4.33Å; A324-I341 HydrophobicContact CB-CG1 4.49Å; A324-I341 HydrophobicContact CB-CG2 3.88Å
325	L	93.8	Very high	93.9	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-68.3	-41.9	175.6	-69.3	173.5	0	0	0	112.1	L266 L267 E270 L321 L322 R328 M329 I341	L266-L325 HydrophobicContact CD2-CD1 4.24Å; L266-L325 HydrophobicContact CD2-CD2 3.96Å; L266-L325 HydrophobicContact CG-CD1 4.07Å; L267-L325 HydrophobicContact CD1-CB 4.06Å; E270-L325 HydrophobicContact CB-CD1 4.27Å; E270-L325 HydrophobicContact CG-CD1 4.16Å; L321-L325 HydrophobicContact CD1-CD1 3.93Å; L321-L325 HydrophobicContact CD1-CG 4.11Å; L321-L325 HydrophobicContact CG-CD1 3.96Å; L321-L325 WeakPolarHBondContact O-CG 3.24Å; L321-L325 PolarHBondContact O-N 2.67Å; L322-L325 PolarHBondContact O-N 2.81Å; L325-R328 PolarHBondContact O-N 2.94Å; L325-M329 WeakPolarHBondContact O-CG 3.42Å; L325-M329 PolarHBondContact O-N 2.92Å; L325-I341 HydrophobicContact CD2-CG2 4.38Å
326	Q	95.8	Very high	93.5	Very high	79 Å²	79	57.9 Å²	57.9	37%	0.369	30%	0.301	S	S	.	.	H	α-helix	trans	-56.4	-56.3	175.7	-76.9	174.3	-35.6	0	0	110.8	L267 L322 R328 M329 E330	L267-Q326 HydrophobicContact CD1-CB 4.46Å; L267-Q326 HydrophobicContact CD1-CG 3.58Å; L322-Q326 HydrophobicContact CD1-CG 3.91Å; L322-Q326 HydrophobicContact CG-CG 4.28Å; L322-Q326 WeakPolarHBondContact O-CB 3.4Å; L322-Q326 VanDerWaalsContact O-CG 3.31Å; L322-Q326 WeakPolarHBondContact O-CG 3.26Å; L322-Q326 PolarHBondContact O-N 3.02Å; Q326-R328 VanDerWaalsContact C-N 3.26Å; Q326-R328 PolarHBondContact O-N 3.03Å; Q326-M329 PolarHBondContact O-N 3.12Å; Q326-M329 VanDerWaalsContact O-N 3.11Å; Q326-E330 WeakPolarHBondContact O-CG 3.37Å; Q326-E330 PolarHBondContact O-N 3.49Å; Q326-E330 VanDerWaalsContact O-N 3.08Å
327	K	95	Very high	93.3	Very high	121 Å²	121	61 Å²	61	53%	0.526	31%	0.312	S	S	.	.	H	α-helix	trans	-56.3	-41.5	177.4	-175.9	-175.9	175.3	-154.8	0	111.9	P323 M329 E330 E331	P323-K327 WeakPolarHBondContact O-CB 3.33Å; P323-K327 PolarHBondContact O-N 3.35Å; K327-M329 VanDerWaalsContact C-N 3.31Å; K327-M329 PolarHBondContact O-N 3.29Å; K327-E330 WeakPolarHBondContact O-CB 3.47Å; K327-E330 PolarHBondContact O-N 2.71Å; K327-E331 WeakPolarHBondContact CE-OE2 3.48Å; K327-E331 IonicContact NZ-OE2 3.24Å; K327-E331 PolarHBondContact NZ-OE2 2.91Å; K327-E331 WeakPolarHBondContact O-CG 3.37Å; K327-E331 PolarHBondContact O-N 3.06Å
328	R	94.2	Very high	93.2	Very high	18 Å²	18	61.2 Å²	61.2	7%	0.068	31%	0.313	C	S	.	.	H	α-helix	trans	-63.7	-35.4	-179.7	-177.4	53.1	58	74.5	-4.5	113.1	A324 L325 Q326 E331 W332 N335 R337 I338 D340 I341	A324-R328 WeakPolarHBondContact O-CB 3.47Å; A324-R328 PolarHBondContact O-N 3.48Å; L325-R328 PolarHBondContact O-N 2.94Å; Q326-R328 VanDerWaalsContact C-N 3.26Å; Q326-R328 PolarHBondContact O-N 3.03Å; R328-E331 IonicContact CZ-OE1 2.78Å; R328-E331 IonicContact NE-OE1 3.51Å; R328-E331 PolarHBondContact NE-OE1 3.12Å; R328-E331 VanDerWaalsContact NE-OE1 3.11Å; R328-E331 IonicContact NH2-OE1 2.91Å; R328-W332 HydrophobicContact CG-CE3 4.31Å; R328-W332 HydrophobicContact CG-CZ3 4.35Å; R328-W332 WeakPolarHBondContact O-CA 3.46Å; R328-W332 PolarHBondContact O-N 2.73Å; R328-W332 VanDerWaalsContact O-N 3.16Å; R328-N335 WeakPolarHBondContact CD-O 3.17Å; R328-N335 VanDerWaalsContact CZ-ND2 3.31Å; R328-N335 PolarHBondContact NE-ND2 3.5Å; R328-N335 VanDerWaalsContact NE-ND2 3.18Å; R328-N335 PolarHBondContact NH2-ND2 3.13Å; R328-R337 VanDerWaalsContact CD-O 3.27Å; R328-R337 WeakPolarHBondContact CD-O 3.2Å; R328-R337 WeakPolarHBondContact CG-O 3.49Å; R328-R337 VanDerWaalsContact NH1-CG 3.31Å; R328-R337 PolarHBondContact NH1-O 3.4Å; R328-I338 HydrophobicContact CG-CG2 4.49Å; R328-D340 IonicContact CZ-OD1 3.96Å; R328-D340 IonicContact CZ-OD2 2.81Å; R328-D340 IonicContact NH1-OD1 3.36Å; R328-D340 PolarHBondContact NH1-OD1 2.85Å; R328-D340 IonicContact NH1-OD2 3.96Å; R328-D340 PolarHBondContact NH1-OD2 2.89Å; R328-D340 IonicContact NH2-OD1 3.11Å; R328-D340 IonicContact NH2-OD2 3.93Å; R328-D340 PolarHBondContact NH2-OD2 3.32Å; R328-I341 HydrophobicContact CB-CD1 3.64Å; R328-I341 HydrophobicContact CG-CD1 3.91Å
329	M	93.3	Very high	93	Very high	31 Å²	31	58 Å²	58	15%	0.153	30%	0.298	C	S	.	.	H	α-helix	trans	-76.2	-25.8	175.7	-63.2	-56.4	-62.7	0	0	112.5	F260 A263 N264 L267 L325 Q326 K327 W332	F260-M329 HydrophobicContact CD2-CE 3.65Å; F260-M329 HydrophobicContact CE2-CE 3.32Å; F260-M329 HydrophobicContact CG-CE 4.49Å; F260-M329 HydrophobicContact CZ-CE 3.91Å; A263-M329 HydrophobicContact CB-CE 4.31Å; A263-M329 HydrophobicContact CB-SD 3.74Å; N264-M329 HydrophobicContact CB-CE 3.8Å; L267-M329 HydrophobicContact CB-CG 4.23Å; L267-M329 HydrophobicContact CD2-CB 3.76Å; L267-M329 HydrophobicContact CD2-CG 3.52Å; L267-M329 HydrophobicContact CG-CG 4.48Å; L325-M329 WeakPolarHBondContact O-CG 3.42Å; L325-M329 PolarHBondContact O-N 2.92Å; Q326-M329 PolarHBondContact O-N 3.12Å; Q326-M329 VanDerWaalsContact O-N 3.11Å; K327-M329 VanDerWaalsContact C-N 3.31Å; K327-M329 PolarHBondContact O-N 3.29Å; M329-W332 HydrophobicContact CE-CE3 4.39Å; M329-W332 HydrophobicContact SD-CD2 4.33Å; M329-W332 HydrophobicContact SD-CE3 3.6Å; M329-W332 VanDerWaalsContact SD-CE3 3.6Å; M329-W332 HydrophobicContact SD-CZ3 3.93Å
330	E	93.8	Very high	92.9	Very high	166 Å²	166	54.8 Å²	54.8	78%	0.776	28%	0.284	S	S	*	.	H	α-helix	trans	-69.5	-37.4	169.7	-66.2	167.7	-178.9	0	0	112.5	Q326 K327	Q326-E330 WeakPolarHBondContact O-CG 3.37Å; Q326-E330 PolarHBondContact O-N 3.49Å; Q326-E330 VanDerWaalsContact O-N 3.08Å; K327-E330 WeakPolarHBondContact O-CB 3.47Å; K327-E330 PolarHBondContact O-N 2.71Å
331	E	93.9	Very high	92.9	Very high	58 Å²	58	51.9 Å²	51.9	27%	0.271	27%	0.272	S	S	.	.	S	Bend	trans	-96.3	13.4	180	73.9	-173.9	-163.2	0	0	114	K327 R328 D333 S334 N335	K327-E331 WeakPolarHBondContact CE-OE2 3.48Å; K327-E331 IonicContact NZ-OE2 3.24Å; K327-E331 PolarHBondContact NZ-OE2 2.91Å; K327-E331 WeakPolarHBondContact O-CG 3.37Å; K327-E331 PolarHBondContact O-N 3.06Å; R328-E331 IonicContact CZ-OE1 2.78Å; R328-E331 IonicContact NE-OE1 3.51Å; R328-E331 PolarHBondContact NE-OE1 3.12Å; R328-E331 VanDerWaalsContact NE-OE1 3.11Å; R328-E331 IonicContact NH2-OE1 2.91Å; E331-D333 PolarHBondContact O-N 2.78Å; E331-S334 PolarHBondContact O-N 3.15Å; E331-N335 HydrophobicContact CG-CB 4.32Å; E331-N335 PolarHBondContact O-N 3.24Å; E331-N335 PolarHBondContact OE1-ND2 2.95Å; E331-N335 VanDerWaalsContact OE1-ND2 3.17Å
332	W	91.7	Very high	92.8	Very high	17 Å²	17	52.2 Å²	52.2	6%	0.064	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-54.8	-46.7	-164.4	-174.1	-93.5	0	0	0	114.6	V259 F260 A263 R328 M329 S334 N335 P336 I338	V259-W332 HydrophobicContact CG1-CZ2 4.29Å; F260-W332 HydrophobicContact CB-CZ2 4.39Å; F260-W332 AromaticContact CD2-CD1 3.53Å; F260-W332 AromaticContact CD2-CD2 3.97Å; F260-W332 HydrophobicContact CD2-CD2 3.97Å; F260-W332 AromaticContact CD2-CE2 3.87Å; F260-W332 AromaticContact CD2-CG 3.77Å; F260-W332 HydrophobicContact CD2-CG 3.77Å; F260-W332 AromaticContact CD2-NE1 3.56Å; F260-W332 HydrophobicContact CE2-CG 4.16Å; A263-W332 HydrophobicContact CB-CE3 4.46Å; A263-W332 HydrophobicContact CB-CH2 3.52Å; A263-W332 HydrophobicContact CB-CZ2 4.3Å; A263-W332 HydrophobicContact CB-CZ3 3.62Å; R328-W332 HydrophobicContact CG-CE3 4.31Å; R328-W332 HydrophobicContact CG-CZ3 4.35Å; R328-W332 WeakPolarHBondContact O-CA 3.46Å; R328-W332 PolarHBondContact O-N 2.73Å; R328-W332 VanDerWaalsContact O-N 3.16Å; M329-W332 HydrophobicContact CE-CE3 4.39Å; M329-W332 HydrophobicContact SD-CD2 4.33Å; M329-W332 HydrophobicContact SD-CE3 3.6Å; M329-W332 VanDerWaalsContact SD-CE3 3.6Å; M329-W332 HydrophobicContact SD-CZ3 3.93Å; W332-S334 PolarHBondContact O-N 3.25Å; W332-S334 VanDerWaalsContact O-N 3.1Å; W332-N335 CarbonylContact O-C 3.23Å; W332-N335 VanDerWaalsContact O-C 3.23Å; W332-N335 PolarHBondContact O-N 3.4Å; W332-P336 HydrophobicContact CD2-CB 4.13Å; W332-P336 HydrophobicContact CG-CB 4.45Å; W332-P336 HydrophobicContact CZ2-CB 3.77Å; W332-P336 WeakPolarHBondContact O-CA 3.5Å; W332-P336 WeakPolarHBondContact O-CB 3.46Å; W332-P336 WeakPolarHBondContact O-CD 3.23Å; W332-I338 HydrophobicContact CH2-CG2 4.23Å; W332-I338 HydrophobicContact CZ3-CG2 3.78Å
333	D	88.4	Confident	92.7	Very high	159 Å²	159	53.7 Å²	53.7	85%	0.85	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-62.6	-20.8	-177.9	-62.1	-35.7	0	0	0	113.1	E331	E331-D333 PolarHBondContact O-N 2.78Å
334	S	89.3	Confident	92.6	Very high	114 Å²	114	59.2 Å²	59.2	80%	0.797	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-95.3	-17.8	174.7	-60.7	0	0	0	0	113.5	E331 W332	E331-S334 PolarHBondContact O-N 3.15Å; W332-S334 PolarHBondContact O-N 3.25Å; W332-S334 VanDerWaalsContact O-N 3.1Å
335	N	88.9	Confident	92.4	Very high	39 Å²	39	58.5 Å²	58.5	21%	0.209	29%	0.291	C	S	.	.			trans	-154.3	65.8	-171.4	-167.1	14.7	0	0	0	111.8	R328 E331 W332 R337	R328-N335 WeakPolarHBondContact CD-O 3.17Å; R328-N335 VanDerWaalsContact CZ-ND2 3.31Å; R328-N335 PolarHBondContact NE-ND2 3.5Å; R328-N335 VanDerWaalsContact NE-ND2 3.18Å; R328-N335 PolarHBondContact NH2-ND2 3.13Å; E331-N335 HydrophobicContact CG-CB 4.32Å; E331-N335 PolarHBondContact O-N 3.24Å; E331-N335 PolarHBondContact OE1-ND2 2.95Å; E331-N335 VanDerWaalsContact OE1-ND2 3.17Å; W332-N335 CarbonylContact O-C 3.23Å; W332-N335 VanDerWaalsContact O-C 3.23Å; W332-N335 PolarHBondContact O-N 3.4Å; N335-R337 VanDerWaalsContact C-N 3.27Å; N335-R337 PolarHBondContact O-N 3.26Å; N335-R337 VanDerWaalsContact OD1-CD 3.26Å; N335-R337 WeakPolarHBondContact OD1-CD 3.32Å; N335-R337 WeakPolarHBondContact OD1-CG 3.48Å; N335-R337 PolarHBondContact OD1-NE 3.42Å
336	P	87.9	Confident	92.1	Very high	57 Å²	57	58.6 Å²	58.6	37%	0.37	29%	0.292	S	S	.	.			trans	-80.1	67.9	-168.1	33.1	-37.8	0	0	0	112.3	W332	W332-P336 HydrophobicContact CD2-CB 4.13Å; W332-P336 HydrophobicContact CG-CB 4.45Å; W332-P336 HydrophobicContact CZ2-CB 3.77Å; W332-P336 WeakPolarHBondContact O-CA 3.5Å; W332-P336 WeakPolarHBondContact O-CB 3.46Å; W332-P336 WeakPolarHBondContact O-CD 3.23Å
337	R	90.8	Very high	91.8	Very high	79 Å²	79	57.3 Å²	57.3	30%	0.298	29%	0.29	S	S	.	.			trans	-148	155.4	-172.6	83.3	-176	-164.6	176.7	6.7	112.5	R328 N335 D340 D425	R328-R337 VanDerWaalsContact CD-O 3.27Å; R328-R337 WeakPolarHBondContact CD-O 3.2Å; R328-R337 WeakPolarHBondContact CG-O 3.49Å; R328-R337 VanDerWaalsContact NH1-CG 3.31Å; R328-R337 PolarHBondContact NH1-O 3.4Å; N335-R337 VanDerWaalsContact C-N 3.27Å; N335-R337 PolarHBondContact O-N 3.26Å; N335-R337 VanDerWaalsContact OD1-CD 3.26Å; N335-R337 WeakPolarHBondContact OD1-CD 3.32Å; N335-R337 WeakPolarHBondContact OD1-CG 3.48Å; N335-R337 PolarHBondContact OD1-NE 3.42Å; R337-D340 IonicContact CZ-OD2 3.74Å; R337-D340 VanDerWaalsContact CZ-OD2 3.23Å; R337-D340 IonicContact NE-OD1 3.26Å; R337-D340 IonicContact NE-OD2 3.34Å; R337-D340 PolarHBondContact NE-OD2 3.05Å; R337-D340 IonicContact NH2-OD2 3.59Å; R337-D340 PolarHBondContact NH2-OD2 3.12Å; R337-D425 HydrophobicContact CB-CB 3.78Å; R337-D425 VanDerWaalsContact CB-CG 3.49Å
338	I	92.6	Very high	91.5	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	28%	0.283	C	S	.	.			trans	-138.9	-16	175.1	63	178.5	0	0	0	114.4	A263 L266 R328 W332 D340 I341 L342 Y415 D425	A263-I338 HydrophobicContact CB-CD1 4.36Å; A263-I338 HydrophobicContact CB-CG2 3.88Å; L266-I338 HydrophobicContact CD2-CD1 3.86Å; R328-I338 HydrophobicContact CG-CG2 4.49Å; W332-I338 HydrophobicContact CH2-CG2 4.23Å; W332-I338 HydrophobicContact CZ3-CG2 3.78Å; I338-D340 VanDerWaalsContact C-N 3.3Å; I338-D340 PolarHBondContact O-N 2.69Å; I338-I341 PolarHBondContact O-N 3.08Å; I338-L342 HydrophobicContact CD1-CD1 4.36Å; I338-L342 HydrophobicContact CG1-CD1 4.41Å; I338-L342 PolarHBondContact O-N 3.23Å; I338-L342 VanDerWaalsContact O-N 3.08Å; I338-Y415 HydrophobicContact CD1-CD1 4.4Å; I338-Y415 HydrophobicContact CD1-CD2 3.66Å; I338-Y415 HydrophobicContact CD1-CE1 4.38Å; I338-Y415 HydrophobicContact CD1-CE2 3.62Å; I338-Y415 HydrophobicContact CD1-CG 4.06Å; I338-Y415 HydrophobicContact CG1-CD1 4.36Å; I338-Y415 HydrophobicContact CG1-CD2 4.2Å; I338-Y415 HydrophobicContact CG1-CE1 3.92Å; I338-Y415 HydrophobicContact CG1-CE2 3.75Å; I338-Y415 HydrophobicContact CG1-CG 4.48Å; I338-D425 PolarHBondContact N-OD2 2.87Å
339	G	92.3	Very high	91.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.5	-34.4	-179	0	0	0	0	0	113.2	I341 L342 Q343 D425 S432	G339-I341 PolarHBondContact O-N 2.87Å; G339-L342 PolarHBondContact O-N 3.06Å; G339-Q343 WeakPolarHBondContact O-CB 3.28Å; G339-Q343 PolarHBondContact O-N 3.13Å; G339-D425 WeakPolarHBondContact CA-OD1 3.33Å; G339-D425 VanDerWaalsContact N-CG 3.28Å; G339-D425 PolarHBondContact N-OD1 3.44Å; G339-D425 PolarHBondContact N-OD2 3.24Å; G339-S432 PolarHBondContact O-OG 3.46Å
340	D	93.8	Very high	90.8	Very high	34 Å²	34	59.2 Å²	59.2	18%	0.182	30%	0.298	C	S	.	.	H	α-helix	trans	-62	-39.3	175.1	69.7	-30.3	0	0	0	113.1	R328 R337 I338 K344 D425	R328-D340 IonicContact CZ-OD1 3.96Å; R328-D340 IonicContact CZ-OD2 2.81Å; R328-D340 IonicContact NH1-OD1 3.36Å; R328-D340 PolarHBondContact NH1-OD1 2.85Å; R328-D340 IonicContact NH1-OD2 3.96Å; R328-D340 PolarHBondContact NH1-OD2 2.89Å; R328-D340 IonicContact NH2-OD1 3.11Å; R328-D340 IonicContact NH2-OD2 3.93Å; R328-D340 PolarHBondContact NH2-OD2 3.32Å; R337-D340 IonicContact CZ-OD2 3.74Å; R337-D340 VanDerWaalsContact CZ-OD2 3.23Å; R337-D340 IonicContact NE-OD1 3.26Å; R337-D340 IonicContact NE-OD2 3.34Å; R337-D340 PolarHBondContact NE-OD2 3.05Å; R337-D340 IonicContact NH2-OD2 3.59Å; R337-D340 PolarHBondContact NH2-OD2 3.12Å; I338-D340 VanDerWaalsContact C-N 3.3Å; I338-D340 PolarHBondContact O-N 2.69Å; D340-K344 PolarHBondContact O-N 2.99Å; D340-D425 PolarHBondContact N-OD1 3.41Å
341	I	94.6	Very high	90.4	Very high	17 Å²	17	53.3 Å²	53.3	9%	0.087	27%	0.271	C	S	.	.	H	α-helix	trans	-68.8	-50.2	175.9	-67.6	168.3	0	0	0	109.7	L321 A324 L325 R328 I338 G339 Q343 K344 L345	L321-I341 HydrophobicContact CD1-CG2 4.09Å; A324-I341 HydrophobicContact CB-CD1 4.33Å; A324-I341 HydrophobicContact CB-CG1 4.49Å; A324-I341 HydrophobicContact CB-CG2 3.88Å; L325-I341 HydrophobicContact CD2-CG2 4.38Å; R328-I341 HydrophobicContact CB-CD1 3.64Å; R328-I341 HydrophobicContact CG-CD1 3.91Å; I338-I341 PolarHBondContact O-N 3.08Å; G339-I341 PolarHBondContact O-N 2.87Å; I341-Q343 VanDerWaalsContact C-N 3.33Å; I341-Q343 PolarHBondContact O-N 3.01Å; I341-K344 PolarHBondContact O-N 3.08Å; I341-L345 HydrophobicContact CG2-CD1 3.82Å; I341-L345 WeakPolarHBondContact O-CB 3.42Å; I341-L345 WeakPolarHBondContact O-CG 3.01Å; I341-L345 PolarHBondContact O-N 3.42Å; I341-L345 VanDerWaalsContact O-N 3.11Å
342	L	91.8	Very high	90	Very high	11 Å²	11	50.6 Å²	50.6	6%	0.058	26%	0.259	C	S	.	.	H	α-helix	trans	-64.9	-36.6	-179	-67.5	176	0	0	0	111.8	L266 L321 I338 G339 K344 L345 A346 L412	L266-L342 HydrophobicContact CD2-CD1 4.14Å; L266-L342 HydrophobicContact CD2-CD2 4.44Å; L321-L342 HydrophobicContact CD1-CD2 4.23Å; I338-L342 HydrophobicContact CD1-CD1 4.36Å; I338-L342 HydrophobicContact CG1-CD1 4.41Å; I338-L342 PolarHBondContact O-N 3.23Å; I338-L342 VanDerWaalsContact O-N 3.08Å; G339-L342 PolarHBondContact O-N 3.06Å; L342-K344 PolarHBondContact O-N 2.94Å; L342-L345 PolarHBondContact O-N 3.23Å; L342-A346 WeakPolarHBondContact O-CB 3.21Å; L342-A346 PolarHBondContact O-N 2.85Å; L342-L412 HydrophobicContact CD1-CD1 3.95Å; L342-L412 HydrophobicContact CD1-CD2 4.38Å
343	Q	93.5	Very high	89.6	Confident	40 Å²	40	50.1 Å²	50.1	19%	0.187	26%	0.26	C	S	.	.	H	α-helix	trans	-66	-40.8	179.7	-172	-173.5	133.3	0	0	111.2	G339 I341 L345 P347 D428 K431 S432 L435	G339-Q343 WeakPolarHBondContact O-CB 3.28Å; G339-Q343 PolarHBondContact O-N 3.13Å; I341-Q343 VanDerWaalsContact C-N 3.33Å; I341-Q343 PolarHBondContact O-N 3.01Å; Q343-L345 VanDerWaalsContact C-N 3.33Å; Q343-P347 WeakPolarHBondContact O-CD 3.15Å; Q343-D428 VanDerWaalsContact NE2-CA 3.34Å; Q343-D428 PolarHBondContact NE2-OD1 3.03Å; Q343-K431 HydrophobicContact CG-CD 4.23Å; Q343-K431 HydrophobicContact CG-CG 4.25Å; Q343-S432 WeakPolarHBondContact CA-OG 3.34Å; Q343-S432 WeakPolarHBondContact CB-OG 3.44Å; Q343-S432 PolarHBondContact N-OG 3.3Å; Q343-L435 HydrophobicContact CG-CD1 4.21Å
344	K	93.6	Very high	89.4	Confident	165 Å²	165	48.2 Å²	48.2	72%	0.717	25%	0.246	S	C	*	.	H	α-helix	trans	-68	-33	177.6	-174.4	177.2	179.1	-177.8	0	112.2	D340 I341 L342	D340-K344 PolarHBondContact O-N 2.99Å; I341-K344 PolarHBondContact O-N 3.08Å; L342-K344 PolarHBondContact O-N 2.94Å
345	L	91.6	Very high	89.3	Confident	18 Å²	18	43 Å²	43	9%	0.094	21%	0.208	C	C	.	.	H	α-helix	trans	-101.7	-23	-170.4	-63	179.3	0	0	0	114.1	F316 F320 L321 I341 L342 Q343 F348	F316-L345 HydrophobicContact CE2-CB 4.23Å; F316-L345 HydrophobicContact CE2-CD2 4.07Å; F316-L345 HydrophobicContact CZ-CB 3.97Å; F316-L345 WeakPolarHBondContact CZ-O 3.45Å; F320-L345 HydrophobicContact CB-CD2 4.33Å; L321-L345 HydrophobicContact CB-CD1 4.15Å; L321-L345 HydrophobicContact CD1-CD1 3.6Å; L321-L345 HydrophobicContact CG-CD1 4.48Å; I341-L345 HydrophobicContact CG2-CD1 3.82Å; I341-L345 WeakPolarHBondContact O-CB 3.42Å; I341-L345 WeakPolarHBondContact O-CG 3.01Å; I341-L345 PolarHBondContact O-N 3.42Å; I341-L345 VanDerWaalsContact O-N 3.11Å; L342-L345 PolarHBondContact O-N 3.23Å; Q343-L345 VanDerWaalsContact C-N 3.33Å; L345-F348 PolarHBondContact O-N 3.02Å
346	A	87.9	Confident	88.9	Confident	3 Å²	3	41.6 Å²	41.6	3%	0.025	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-55.7	-36	177.7	0	0	0	0	0	115.2	L342 F348 L349 L435 I436	L342-A346 WeakPolarHBondContact O-CB 3.21Å; L342-A346 PolarHBondContact O-N 2.85Å; A346-F348 PolarHBondContact O-N 3.27Å; A346-L349 HydrophobicContact CB-CD1 4.4Å; A346-L349 VanDerWaalsContact O-CB 3.31Å; A346-L349 WeakPolarHBondContact O-CB 3.14Å; A346-L349 PolarHBondContact O-N 3.46Å; A346-L435 HydrophobicContact CB-CB 3.69Å; A346-L435 HydrophobicContact CB-CD1 4.35Å; A346-I436 HydrophobicContact CB-CG1 3.93Å
347	P	89	Confident	88.6	Confident	53 Å²	53	47.7 Å²	47.7	34%	0.344	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-57.5	-31	177.7	-28.1	37	0	0	0	114.2	Q343 L349 K350 L435	Q343-P347 WeakPolarHBondContact O-CD 3.15Å; P347-L349 VanDerWaalsContact C-N 3.32Å; P347-L349 PolarHBondContact O-N 3.38Å; P347-K350 WeakPolarHBondContact O-CG 3.36Å; P347-L435 HydrophobicContact CG-CD1 4.39Å
348	F	89.3	Confident	88.4	Confident	86 Å²	86	45.3 Å²	45.3	38%	0.377	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-72.3	-24.2	179.2	-62.4	-84	0	0	0	112.6	I85 F316 L345 A346 K350 M351	I85-F348 HydrophobicContact CG1-CE1 4.28Å; F316-F348 HydrophobicContact CD2-CB 3.96Å; F316-F348 HydrophobicContact CD2-CG 4.31Å; F316-F348 HydrophobicContact CE2-CB 3.52Å; F316-F348 AromaticContact CE2-CD2 3.98Å; F316-F348 HydrophobicContact CE2-CD2 3.98Å; F316-F348 AromaticContact CE2-CG 3.89Å; F316-F348 HydrophobicContact CE2-CG 3.89Å; F316-F348 HydrophobicContact CZ-CB 3.86Å; L345-F348 PolarHBondContact O-N 3.02Å; A346-F348 PolarHBondContact O-N 3.27Å; F348-K350 PolarHBondContact O-N 2.93Å; F348-M351 WeakPolarHBondContact O-CB 3.47Å; F348-M351 WeakPolarHBondContact O-CG 3.46Å; F348-M351 PolarHBondContact O-N 3.45Å
349	L	87.4	Confident	88	Confident	7 Å²	7	46.3 Å²	46.3	4%	0.037	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-60.5	-14.8	178.4	-59.1	175.8	0	0	0	113.4	F316 A346 P347 M351 Y352 I405 Y408 I436 A439	F316-L349 HydrophobicContact CE1-CD2 3.7Å; F316-L349 HydrophobicContact CZ-CD2 4.33Å; A346-L349 HydrophobicContact CB-CD1 4.4Å; A346-L349 VanDerWaalsContact O-CB 3.31Å; A346-L349 WeakPolarHBondContact O-CB 3.14Å; A346-L349 PolarHBondContact O-N 3.46Å; P347-L349 VanDerWaalsContact C-N 3.32Å; P347-L349 PolarHBondContact O-N 3.38Å; L349-M351 PolarHBondContact O-N 3.35Å; L349-M351 VanDerWaalsContact O-N 3.13Å; L349-Y352 HydrophobicContact CB-CD2 4.49Å; L349-Y352 HydrophobicContact CD2-CD2 4.34Å; L349-Y352 HydrophobicContact CD2-CE2 3.83Å; L349-Y352 WeakPolarHBondContact O-CB 3.34Å; L349-Y352 WeakPolarHBondContact O-CD2 3.41Å; L349-Y352 PolarHBondContact O-N 2.88Å; L349-I405 HydrophobicContact CB-CD1 4.11Å; L349-I405 HydrophobicContact CD1-CD1 4.21Å; L349-I405 HydrophobicContact CD2-CD1 3.86Å; L349-I405 HydrophobicContact CG-CD1 4.28Å; L349-Y408 HydrophobicContact CD1-CD2 4.16Å; L349-Y408 HydrophobicContact CD1-CE2 4.43Å; L349-Y408 HydrophobicContact CD2-CE2 4.2Å; L349-I436 HydrophobicContact CD1-CG1 3.93Å; L349-A439 HydrophobicContact CB-CB 4.17Å
350	K	84.2	Confident	87.3	Confident	116 Å²	116	50 Å²	50	50%	0.504	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-55.6	-25.2	169.5	-67.1	180	179.4	-178	0	113.1	P347 F348 Y352 G353 A439	P347-K350 WeakPolarHBondContact O-CG 3.36Å; F348-K350 PolarHBondContact O-N 2.93Å; K350-Y352 PolarHBondContact O-N 2.91Å; K350-G353 PolarHBondContact O-N 3.27Å; K350-A439 HydrophobicContact CG-CB 4.31Å
351	M	86.3	Confident	87	Confident	42 Å²	42	55.1 Å²	55.1	21%	0.207	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-56.9	-27.3	174.1	73	-162.9	-53.5	0	0	113.8	N309 S312 I313 F316 F348 L349 G353 E354	N309-M351 PolarHBondContact ND2-O 2.83Å; S312-M351 VanDerWaalsContact CB-CE 3.48Å; S312-M351 WeakPolarHBondContact O-CE 3.42Å; I313-M351 HydrophobicContact CG1-CE 3.99Å; I313-M351 HydrophobicContact CG1-CG 4.09Å; I313-M351 HydrophobicContact CG1-SD 4.22Å; F316-M351 HydrophobicContact CB-CE 4.44Å; F316-M351 HydrophobicContact CB-SD 4.2Å; F316-M351 HydrophobicContact CD1-SD 4.22Å; F316-M351 HydrophobicContact CG-SD 4.27Å; F348-M351 WeakPolarHBondContact O-CB 3.47Å; F348-M351 WeakPolarHBondContact O-CG 3.46Å; F348-M351 PolarHBondContact O-N 3.45Å; L349-M351 PolarHBondContact O-N 3.35Å; L349-M351 VanDerWaalsContact O-N 3.13Å; M351-G353 PolarHBondContact O-N 3.38Å; M351-E354 PolarHBondContact O-N 2.99Å
352	Y	85.8	Confident	86.8	Confident	1 Å²	1	54.4 Å²	54.4	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-65.1	-25.2	177.4	-77.2	-104	0	0	0	112.3	Y273 I313 H317 L349 K350 E354 Y355 V356 P401 I405	Y273-Y352 PolarHBondContact OH-OH 3.33Å; I313-Y352 HydrophobicContact CD1-CD1 4.1Å; I313-Y352 HydrophobicContact CD1-CE1 4.15Å; I313-Y352 HydrophobicContact CD1-CG 4.31Å; I313-Y352 HydrophobicContact CG1-CE2 4.43Å; I313-Y352 HydrophobicContact CG2-CE1 4.03Å; I313-Y352 HydrophobicContact CG2-CE2 4.08Å; I313-Y352 WeakPolarHBondContact CG2-OH 3.24Å; H317-Y352 PolarHBondContact CD2-OH 3.45Å; H317-Y352 AromaticContact NE2-CE2 3.7Å; H317-Y352 AromaticContact NE2-CZ 3.62Å; H317-Y352 PolarHBondContact NE2-OH 3.13Å; L349-Y352 HydrophobicContact CB-CD2 4.49Å; L349-Y352 HydrophobicContact CD2-CD2 4.34Å; L349-Y352 HydrophobicContact CD2-CE2 3.83Å; L349-Y352 WeakPolarHBondContact O-CB 3.34Å; L349-Y352 WeakPolarHBondContact O-CD2 3.41Å; L349-Y352 PolarHBondContact O-N 2.88Å; K350-Y352 PolarHBondContact O-N 2.91Å; Y352-E354 PolarHBondContact O-N 2.94Å; Y352-Y355 PolarHBondContact O-N 2.86Å; Y352-V356 WeakPolarHBondContact O-CB 3.43Å; Y352-V356 WeakPolarHBondContact O-CG2 3.49Å; Y352-V356 PolarHBondContact O-N 3.44Å; Y352-P401 HydrophobicContact CD1-CB 4.34Å; Y352-P401 HydrophobicContact CE1-CB 3.79Å; Y352-P401 WeakPolarHBondContact CE1-O 3.47Å; Y352-I405 HydrophobicContact CD1-CD1 4.11Å; Y352-I405 HydrophobicContact CD1-CG1 3.91Å; Y352-I405 HydrophobicContact CD2-CD1 3.79Å; Y352-I405 HydrophobicContact CD2-CG1 4.33Å; Y352-I405 HydrophobicContact CE1-CD1 4.14Å; Y352-I405 HydrophobicContact CE1-CG1 4.25Å; Y352-I405 HydrophobicContact CE2-CD1 3.82Å; Y352-I405 HydrophobicContact CG-CD1 3.91Å; Y352-I405 HydrophobicContact CG-CG1 3.93Å
353	G	81.9	Confident	86.5	Confident	8 Å²	8	54.1 Å²	54.1	8%	0.082	25%	0.251	C	S	.	.	H	α-helix	trans	-60.7	-31.1	176.3	0	0	0	0	0	113.2	K350 M351 K357	K350-G353 PolarHBondContact O-N 3.27Å; M351-G353 PolarHBondContact O-N 3.38Å; G353-K357 WeakPolarHBondContact O-CB 3.24Å; G353-K357 PolarHBondContact O-N 3.18Å
354	E	84.9	Confident	86.1	Confident	119 Å²	119	58 Å²	58	56%	0.556	27%	0.269	S	S	*	.	H	α-helix	trans	-73.3	-48.1	174	172.7	176.5	-141.5	0	0	111.6	N309 M351 Y352 V356 K357 N358	N309-E354 PolarHBondContact ND2-OE2 3.19Å; M351-E354 PolarHBondContact O-N 2.99Å; Y352-E354 PolarHBondContact O-N 2.94Å; E354-V356 VanDerWaalsContact C-N 3.34Å; E354-V356 PolarHBondContact O-N 2.89Å; E354-K357 PolarHBondContact O-N 3.06Å; E354-N358 PolarHBondContact O-N 3.25Å
355	Y	87.2	Confident	86	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-54.4	-51.2	175.3	-170	-99.9	0	0	0	111.5	N309 I310 I313 Y352 K357 N358 F359 M398 P401 V402	N309-Y355 WeakPolarHBondContact OD1-CB 3.21Å; I310-Y355 HydrophobicContact CB-CD2 4.48Å; I310-Y355 HydrophobicContact CB-CE2 3.99Å; I310-Y355 HydrophobicContact CD1-CD2 4.33Å; I310-Y355 HydrophobicContact CD1-CE2 3.71Å; I310-Y355 HydrophobicContact CG1-CE2 4.37Å; I313-Y355 HydrophobicContact CD1-CD2 4.15Å; I313-Y355 HydrophobicContact CD1-CG 4Å; Y352-Y355 PolarHBondContact O-N 2.86Å; Y355-K357 VanDerWaalsContact C-N 3.35Å; Y355-K357 PolarHBondContact O-N 3.47Å; Y355-N358 PolarHBondContact O-N 2.86Å; Y355-F359 HydrophobicContact CE1-CD2 4.16Å; Y355-F359 PolarHBondContact O-N 3.34Å; Y355-M398 PolarHBondContact OH-O 3.46Å; Y355-P401 HydrophobicContact CD1-CB 4.38Å; Y355-P401 HydrophobicContact CE1-CB 4.11Å; Y355-P401 HydrophobicContact CE1-CG 4.09Å; Y355-V402 HydrophobicContact CD1-CG2 3.78Å; Y355-V402 HydrophobicContact CE1-CG2 3.96Å
356	V	81	Confident	86	Confident	10 Å²	10	50.5 Å²	50.5	6%	0.061	24%	0.237	C	C	.	.	H	α-helix	trans	-61.8	-39.6	179.6	168.4	0	0	0	0	111.7	Y352 E354 F359 V402 A446	Y352-V356 WeakPolarHBondContact O-CB 3.43Å; Y352-V356 WeakPolarHBondContact O-CG2 3.49Å; Y352-V356 PolarHBondContact O-N 3.44Å; E354-V356 VanDerWaalsContact C-N 3.34Å; E354-V356 PolarHBondContact O-N 2.89Å; V356-F359 WeakPolarHBondContact O-CB 3.32Å; V356-F359 PolarHBondContact O-N 3.02Å; V356-V402 HydrophobicContact CG2-CB 4.19Å; V356-V402 HydrophobicContact CG2-CG1 3.71Å; V356-V402 HydrophobicContact CG2-CG2 3.56Å; V356-A446 HydrophobicContact CG1-CB 3.44Å; V356-A446 VanDerWaalsContact CG1-CB 3.44Å
357	K	82.3	Confident	85.9	Confident	185 Å²	185	52.9 Å²	52.9	80%	0.804	25%	0.249	S	C	*	.	H	α-helix	trans	-67.7	-34.6	177.2	179	-179.7	178.3	-176.8	0	113	G353 E354 Y355	G353-K357 WeakPolarHBondContact O-CB 3.24Å; G353-K357 PolarHBondContact O-N 3.18Å; E354-K357 PolarHBondContact O-N 3.06Å; Y355-K357 VanDerWaalsContact C-N 3.35Å; Y355-K357 PolarHBondContact O-N 3.47Å
358	N	86	Confident	86	Confident	29 Å²	29	53.9 Å²	53.9	16%	0.155	25%	0.251	C	S	.	.	H	α-helix	trans	-87.2	-11.3	178.8	-173.7	76.4	0	0	0	113.3	G305 E354 Y355 D360 R361 A362	G305-N358 PolarHBondContact O-ND2 2.97Å; E354-N358 PolarHBondContact O-N 3.25Å; Y355-N358 PolarHBondContact O-N 2.86Å; N358-D360 PolarHBondContact O-N 3.21Å; N358-R361 PolarHBondContact O-N 2.89Å; N358-R361 VanDerWaalsContact O-N 3.11Å; N358-A362 PolarHBondContact O-N 2.9Å
359	F	83.4	Confident	86.1	Confident	24 Å²	24	50.8 Å²	50.8	11%	0.105	24%	0.236	C	C	.	.	H	α-helix	trans	-54.1	-42.9	-171.8	-171.3	-88.5	0	0	0	114.8	Y355 V356 R361 A362 M363 M398 L399	Y355-F359 HydrophobicContact CE1-CD2 4.16Å; Y355-F359 PolarHBondContact O-N 3.34Å; V356-F359 WeakPolarHBondContact O-CB 3.32Å; V356-F359 PolarHBondContact O-N 3.02Å; F359-R361 PolarHBondContact O-N 3.05Å; F359-A362 WeakPolarHBondContact O-CB 3.19Å; F359-A362 PolarHBondContact O-N 2.97Å; F359-M363 PolarHBondContact O-N 3.3Å; F359-M398 HydrophobicContact CE2-CB 3.89Å; F359-M398 WeakPolarHBondContact CE2-O 3.22Å; F359-M398 HydrophobicContact CZ-CB 4.49Å; F359-L399 HydrophobicContact CE1-CD2 3.88Å; F359-L399 HydrophobicContact CE2-CD2 4.08Å; F359-L399 HydrophobicContact CZ-CD2 3.34Å; F359-L399 HydrophobicContact CZ-CG 4.16Å
360	D	79	Confident	86.1	Confident	78 Å²	78	51.8 Å²	51.8	42%	0.417	24%	0.242	S	C	.	.	H	α-helix	trans	-60	-44.7	179	-84.5	-27.8	0	0	0	112.2	N358 M363 E364 K449	N358-D360 PolarHBondContact O-N 3.21Å; D360-M363 PolarHBondContact O-N 2.68Å; D360-E364 PolarHBondContact O-N 3.29Å; D360-E364 VanDerWaalsContact O-N 3.1Å; D360-K449 WeakPolarHBondContact OD1-CE 3.41Å; D360-K449 IonicContact OD1-NZ 2.62Å; D360-K449 PolarHBondContact OD1-NZ 3.46Å; D360-K449 IonicContact OD2-NZ 2.96Å; D360-K449 PolarHBondContact OD2-NZ 3.18Å
361	R	87.3	Confident	86.4	Confident	142 Å²	142	54.6 Å²	54.6	54%	0.536	26%	0.256	S	S	.	.	H	α-helix	trans	-68.4	-36.8	177	-178.8	-178.8	176.5	-133.1	2.7	111.4	N358 F359 E364 L365	N358-R361 PolarHBondContact O-N 2.89Å; N358-R361 VanDerWaalsContact O-N 3.11Å; F359-R361 PolarHBondContact O-N 3.05Å; R361-E364 PolarHBondContact O-N 3.34Å; R361-L365 HydrophobicContact CG-CD1 4.18Å; R361-L365 WeakPolarHBondContact O-CB 3.37Å; R361-L365 VanDerWaalsContact O-CG 3.26Å; R361-L365 WeakPolarHBondContact O-CG 3.14Å; R361-L365 PolarHBondContact O-N 3.1Å
362	A	90.1	Very high	86.6	Confident	2 Å²	2	60.9 Å²	60.9	2%	0.017	28%	0.278	C	S	.	.	H	α-helix	trans	-62.2	-44.5	174.7	0	0	0	0	0	112	I306 N358 F359 L365 V366 M398	I306-A362 WeakPolarHBondContact O-CB 3.34Å; N358-A362 PolarHBondContact O-N 2.9Å; F359-A362 WeakPolarHBondContact O-CB 3.19Å; F359-A362 PolarHBondContact O-N 2.97Å; A362-L365 PolarHBondContact O-N 2.86Å; A362-V366 WeakPolarHBondContact O-CG2 3.3Å; A362-V366 PolarHBondContact O-N 2.9Å; A362-M398 HydrophobicContact CB-CE 3.8Å
363	M	84.4	Confident	86.9	Confident	4 Å²	4	61.2 Å²	61.2	2%	0.02	28%	0.281	C	S	.	.	H	α-helix	trans	-61.8	-45.3	176.2	-174.8	70.8	-166.4	0	0	111.9	F359 D360 V366 N367 Q395 V470 P472	F359-M363 PolarHBondContact O-N 3.3Å; D360-M363 PolarHBondContact O-N 2.68Å; M363-V366 PolarHBondContact O-N 3.2Å; M363-N367 PolarHBondContact O-N 2.93Å; M363-N367 VanDerWaalsContact O-N 3.12Å; M363-Q395 HydrophobicContact CE-CB 3.97Å; M363-Q395 HydrophobicContact CE-CG 3.79Å; M363-Q395 HydrophobicContact SD-CB 3.72Å; M363-Q395 HydrophobicContact SD-CG 3.62Å; M363-V470 HydrophobicContact CE-CG1 4.41Å; M363-P472 HydrophobicContact CE-CG 4.5Å; M363-P472 HydrophobicContact CG-CG 3.82Å
364	E	86.1	Confident	87.5	Confident	121 Å²	121	64.5 Å²	64.5	57%	0.565	31%	0.307	S	S	*	.	H	α-helix	trans	-60.4	-45.8	174.7	-179.7	178.6	-123.7	0	0	111.8	D360 R361 V366 N367 I368	D360-E364 PolarHBondContact O-N 3.29Å; D360-E364 VanDerWaalsContact O-N 3.1Å; R361-E364 PolarHBondContact O-N 3.34Å; E364-V366 PolarHBondContact O-N 2.85Å; E364-N367 PolarHBondContact O-N 2.98Å; E364-I368 HydrophobicContact CG-CD1 3.74Å; E364-I368 HydrophobicContact CG-CG1 4.39Å; E364-I368 WeakPolarHBondContact O-CG1 3.46Å; E364-I368 PolarHBondContact O-N 3.27Å
365	L	91.6	Very high	87.9	Confident	26 Å²	26	61.4 Å²	61.4	14%	0.136	30%	0.297	C	S	.	.	H	α-helix	trans	-60.7	-44.3	176.7	-75.7	169.7	0	0	0	112.2	V302 I306 R361 A362 N367 I368 W369	V302-L365 HydrophobicContact CG1-CD2 4.49Å; I306-L365 HydrophobicContact CD1-CB 4.1Å; I306-L365 HydrophobicContact CG1-CB 3.56Å; I306-L365 HydrophobicContact CG1-CD1 4.31Å; R361-L365 HydrophobicContact CG-CD1 4.18Å; R361-L365 WeakPolarHBondContact O-CB 3.37Å; R361-L365 VanDerWaalsContact O-CG 3.26Å; R361-L365 WeakPolarHBondContact O-CG 3.14Å; R361-L365 PolarHBondContact O-N 3.1Å; A362-L365 PolarHBondContact O-N 2.86Å; L365-N367 VanDerWaalsContact C-N 3.34Å; L365-N367 PolarHBondContact O-N 2.98Å; L365-I368 PolarHBondContact O-N 3.13Å; L365-W369 WeakPolarHBondContact O-CB 3.41Å; L365-W369 PolarHBondContact O-N 3.2Å
366	V	90.5	Very high	88.2	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-57.7	-48.7	175.4	173.7	0	0	0	0	110.3	I306 A362 M363 E364 W369 M370 L394 Q395 M398	I306-V366 HydrophobicContact CB-CG2 4.43Å; I306-V366 HydrophobicContact CD1-CG2 3.95Å; I306-V366 HydrophobicContact CG1-CG2 3.98Å; I306-V366 HydrophobicContact CG2-CG2 3.57Å; A362-V366 WeakPolarHBondContact O-CG2 3.3Å; A362-V366 PolarHBondContact O-N 2.9Å; M363-V366 PolarHBondContact O-N 3.2Å; E364-V366 PolarHBondContact O-N 2.85Å; V366-W369 PolarHBondContact O-N 2.9Å; V366-M370 HydrophobicContact CG1-CG 4Å; V366-M370 WeakPolarHBondContact O-CB 3.44Å; V366-M370 WeakPolarHBondContact O-CG 3.11Å; V366-M370 PolarHBondContact O-N 2.76Å; V366-L394 HydrophobicContact CG1-CD2 4.32Å; V366-L394 HydrophobicContact CG2-CD2 4.15Å; V366-Q395 HydrophobicContact CB-CG 4.45Å; V366-Q395 HydrophobicContact CG1-CG 3.9Å; V366-M398 HydrophobicContact CG2-CE 4.45Å; V366-M398 HydrophobicContact CG2-SD 4.16Å
367	N	87.2	Confident	88.8	Confident	54 Å²	54	64.7 Å²	64.7	29%	0.289	31%	0.311	S	S	.	.	H	α-helix	trans	-63.2	-47.4	-178.1	-71.3	-0.6	0	0	0	112	M363 E364 L365 W369 M370 E371 Q395	M363-N367 PolarHBondContact O-N 2.93Å; M363-N367 VanDerWaalsContact O-N 3.12Å; E364-N367 PolarHBondContact O-N 2.98Å; L365-N367 VanDerWaalsContact C-N 3.34Å; L365-N367 PolarHBondContact O-N 2.98Å; N367-W369 VanDerWaalsContact C-N 3.32Å; N367-W369 PolarHBondContact O-N 2.97Å; N367-M370 PolarHBondContact O-N 3.13Å; N367-E371 PolarHBondContact O-N 2.86Å; N367-Q395 PolarHBondContact OD1-NE2 3.14Å
368	I	89.5	Confident	89.4	Confident	74 Å²	74	58.5 Å²	58.5	38%	0.379	29%	0.294	S	S	.	.	H	α-helix	trans	-57.1	-45.1	176.4	-70.9	171.6	0	0	0	111.1	E364 L365 E371 R372	E364-I368 HydrophobicContact CG-CD1 3.74Å; E364-I368 HydrophobicContact CG-CG1 4.39Å; E364-I368 WeakPolarHBondContact O-CG1 3.46Å; E364-I368 PolarHBondContact O-N 3.27Å; L365-I368 PolarHBondContact O-N 3.13Å; I368-E371 PolarHBondContact O-N 3.31Å; I368-R372 WeakPolarHBondContact O-CB 3.28Å; I368-R372 PolarHBondContact O-N 3.21Å
369	W	91.5	Very high	89.8	Confident	20 Å²	20	58.4 Å²	58.4	8%	0.076	29%	0.293	C	S	.	.	H	α-helix	trans	-81.9	-24.1	-174.2	-74.7	99.9	0	0	0	114.1	F298 V302 L365 V366 N367 E371 R372 S373 F376	F298-W369 HydrophobicContact CB-CD2 4.37Å; F298-W369 HydrophobicContact CB-CE3 3.82Å; F298-W369 HydrophobicContact CB-CH2 3.73Å; F298-W369 HydrophobicContact CB-CZ2 4.32Å; F298-W369 HydrophobicContact CB-CZ3 3.49Å; F298-W369 VanDerWaalsContact CB-CZ3 3.49Å; V302-W369 HydrophobicContact CG1-CD2 4.26Å; V302-W369 HydrophobicContact CG1-CG 3.93Å; V302-W369 VanDerWaalsContact CG1-NE1 3.32Å; V302-W369 HydrophobicContact CG2-CZ2 3.63Å; L365-W369 WeakPolarHBondContact O-CB 3.41Å; L365-W369 PolarHBondContact O-N 3.2Å; V366-W369 PolarHBondContact O-N 2.9Å; N367-W369 VanDerWaalsContact C-N 3.32Å; N367-W369 PolarHBondContact O-N 2.97Å; W369-E371 PolarHBondContact O-N 3.05Å; W369-R372 HydrophobicContact CE3-CB 4.4Å; W369-R372 PolarHBondContact O-N 3.11Å; W369-S373 PolarHBondContact O-N 3.35Å; W369-F376 HydrophobicContact CB-CD1 3.86Å; W369-F376 HydrophobicContact CB-CD2 4.14Å; W369-F376 HydrophobicContact CB-CE1 3.99Å; W369-F376 HydrophobicContact CB-CE2 4.27Å; W369-F376 HydrophobicContact CB-CG 3.96Å; W369-F376 HydrophobicContact CB-CZ 4.21Å
370	M	88.4	Confident	90.2	Very high	29 Å²	29	57.2 Å²	57.2	14%	0.143	29%	0.288	C	S	.	.	H	α-helix	trans	-64.6	-24.8	167.1	-74.8	-68.3	-79.6	0	0	113.4	V366 N367 F376 K377 V380 Q381	V366-M370 HydrophobicContact CG1-CG 4Å; V366-M370 WeakPolarHBondContact O-CB 3.44Å; V366-M370 WeakPolarHBondContact O-CG 3.11Å; V366-M370 PolarHBondContact O-N 2.76Å; N367-M370 PolarHBondContact O-N 3.13Å; M370-F376 HydrophobicContact CG-CD1 4.26Å; M370-F376 HydrophobicContact CG-CE1 3.96Å; M370-F376 HydrophobicContact SD-CD1 4.05Å; M370-F376 HydrophobicContact SD-CE1 4.02Å; M370-K377 HydrophobicContact CE-CG 4.07Å; M370-K377 WeakPolarHBondContact O-CD 3.39Å; M370-K377 HydrophobicContact SD-CB 4.26Å; M370-K377 HydrophobicContact SD-CG 4.15Å; M370-V380 HydrophobicContact CE-CB 4.45Å; M370-V380 HydrophobicContact CE-CG1 4.04Å; M370-V380 HydrophobicContact SD-CB 3.8Å; M370-V380 HydrophobicContact SD-CG1 3.79Å; M370-V380 HydrophobicContact SD-CG2 4.21Å; M370-Q381 HydrophobicContact CE-CG 4.32Å
371	E	89.3	Confident	90.8	Very high	175 Å²	175	58.4 Å²	58.4	82%	0.818	29%	0.291	S	S	*	.	H	α-helix	trans	-91.1	-43.3	170.5	-65.2	-170.2	168.1	0	0	112.2	N367 I368 W369	N367-E371 PolarHBondContact O-N 2.86Å; I368-E371 PolarHBondContact O-N 3.31Å; W369-E371 PolarHBondContact O-N 3.05Å
372	R	90.4	Very high	91.1	Very high	173 Å²	173	57.1 Å²	57.1	65%	0.653	29%	0.291	S	S	*	.	H	α-helix	trans	-82.2	-22.4	-168	-162.9	168	91.1	130	-4.3	115.1	I368 W369	I368-R372 WeakPolarHBondContact O-CB 3.28Å; I368-R372 PolarHBondContact O-N 3.21Å; W369-R372 HydrophobicContact CE3-CB 4.4Å; W369-R372 PolarHBondContact O-N 3.11Å
373	S	93.5	Very high	91.1	Very high	9 Å²	9	57.2 Å²	57.2	6%	0.063	29%	0.291	C	S	.	.			trans	-132.1	111.7	-178.3	-178.8	0	0	0	0	111.8	S297 W369 P375 F376 K377	S297-S373 PolarHBondContact O-OG 3.35Å; W369-S373 PolarHBondContact O-N 3.35Å; S373-P375 WeakPolarHBondContact OG-CD 3.42Å; S373-F376 PolarHBondContact O-N 2.97Å; S373-F376 PolarHBondContact OG-N 3.1Å; S373-K377 WeakPolarHBondContact O-CB 3.42Å; S373-K377 PolarHBondContact O-N 2.76Å
374	A	93.4	Very high	91.3	Very high	77 Å²	77	58.9 Å²	58.9	64%	0.636	30%	0.299	S	S	*	.	H	α-helix	trans	-61.6	-38.6	175	0	0	0	0	0	113.3	K377 A378	A374-K377 PolarHBondContact O-N 2.76Å; A374-A378 VanDerWaalsContact O-CB 3.3Å; A374-A378 WeakPolarHBondContact O-CB 3.39Å; A374-A378 PolarHBondContact O-N 2.84Å
375	P	92.9	Very high	91.3	Very high	54 Å²	54	62 Å²	62	35%	0.351	31%	0.305	S	S	.	.	H	α-helix	trans	-58.8	-46.9	170.1	-28.2	36.6	0	0	0	113.8	S373 K377 A378 I379	S373-P375 WeakPolarHBondContact OG-CD 3.42Å; P375-K377 PolarHBondContact O-N 3.15Å; P375-A378 PolarHBondContact O-N 3.48Å; P375-I379 WeakPolarHBondContact O-CG1 3.3Å; P375-I379 PolarHBondContact O-N 2.83Å; P375-I379 VanDerWaalsContact O-N 3.08Å
376	F	94.5	Very high	91.2	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-57.5	-49.8	176.4	-176.2	-84.6	0	0	0	110.8	L288 F298 I306 W369 M370 S373 A378 I379 V380	L288-F376 HydrophobicContact CD1-CE2 3.9Å; L288-F376 HydrophobicContact CD1-CZ 4.23Å; L288-F376 HydrophobicContact CD2-CD2 3.77Å; L288-F376 HydrophobicContact CD2-CE2 3.96Å; L288-F376 HydrophobicContact CD2-CG 4.37Å; L288-F376 HydrophobicContact CG-CE2 4.5Å; F298-F376 HydrophobicContact CD1-CB 3.88Å; F298-F376 HydrophobicContact CD1-CD2 4.12Å; F298-F376 HydrophobicContact CD2-CD2 4.08Å; F298-F376 HydrophobicContact CE1-CB 3.8Å; F298-F376 AromaticContact CE1-CD2 3.98Å; F298-F376 HydrophobicContact CE1-CD2 3.98Å; F298-F376 HydrophobicContact CE1-CG 4.4Å; F298-F376 AromaticContact CE2-CD2 3.91Å; F298-F376 HydrophobicContact CE2-CD2 3.91Å; F298-F376 HydrophobicContact CE2-CE2 4.48Å; F298-F376 HydrophobicContact CG-CD2 4.2Å; F298-F376 HydrophobicContact CZ-CB 4.47Å; F298-F376 AromaticContact CZ-CD2 3.87Å; F298-F376 HydrophobicContact CZ-CD2 3.87Å; I306-F376 HydrophobicContact CD1-CE2 3.85Å; I306-F376 HydrophobicContact CD1-CZ 3.7Å; W369-F376 HydrophobicContact CB-CD1 3.86Å; W369-F376 HydrophobicContact CB-CD2 4.14Å; W369-F376 HydrophobicContact CB-CE1 3.99Å; W369-F376 HydrophobicContact CB-CE2 4.27Å; W369-F376 HydrophobicContact CB-CG 3.96Å; W369-F376 HydrophobicContact CB-CZ 4.21Å; M370-F376 HydrophobicContact CG-CD1 4.26Å; M370-F376 HydrophobicContact CG-CE1 3.96Å; M370-F376 HydrophobicContact SD-CD1 4.05Å; M370-F376 HydrophobicContact SD-CE1 4.02Å; S373-F376 PolarHBondContact O-N 2.97Å; S373-F376 PolarHBondContact OG-N 3.1Å; F376-A378 PolarHBondContact O-N 2.99Å; F376-I379 PolarHBondContact O-N 3.23Å; F376-V380 HydrophobicContact CD1-CG2 4.21Å; F376-V380 HydrophobicContact CE1-CG2 3.87Å; F376-V380 HydrophobicContact CZ-CG2 4.23Å; F376-V380 WeakPolarHBondContact O-CG2 3.43Å; F376-V380 PolarHBondContact O-N 3.27Å; F376-V380 VanDerWaalsContact O-N 3.1Å
377	K	93.6	Very high	90.6	Very high	83 Å²	83	72.8 Å²	72.8	36%	0.361	36%	0.355	S	S	.	.	H	α-helix	trans	-58.8	-44.2	177.4	-171.6	-177.3	-164.3	144.7	0	112.5	M370 S373 A374 P375 V380 Q381	M370-K377 HydrophobicContact CE-CG 4.07Å; M370-K377 WeakPolarHBondContact O-CD 3.39Å; M370-K377 HydrophobicContact SD-CB 4.26Å; M370-K377 HydrophobicContact SD-CG 4.15Å; S373-K377 WeakPolarHBondContact O-CB 3.42Å; S373-K377 PolarHBondContact O-N 2.76Å; A374-K377 PolarHBondContact O-N 2.76Å; P375-K377 PolarHBondContact O-N 3.15Å; K377-V380 PolarHBondContact O-N 2.84Å; K377-Q381 HydrophobicContact CG-CG 4.31Å; K377-Q381 WeakPolarHBondContact O-CB 3.39Å; K377-Q381 VanDerWaalsContact O-CG 3.28Å; K377-Q381 WeakPolarHBondContact O-CG 3.24Å; K377-Q381 PolarHBondContact O-N 3.1Å
378	A	93.9	Very high	90.3	Very high	55 Å²	55	75.8 Å²	75.8	46%	0.455	36%	0.363	S	S	.	.	H	α-helix	trans	-62.1	-47.4	-179.1	0	0	0	0	0	111.7	A374 P375 F376 Q381 E382	A374-A378 VanDerWaalsContact O-CB 3.3Å; A374-A378 WeakPolarHBondContact O-CB 3.39Å; A374-A378 PolarHBondContact O-N 2.84Å; P375-A378 PolarHBondContact O-N 3.48Å; F376-A378 PolarHBondContact O-N 2.99Å; A378-Q381 PolarHBondContact O-N 2.79Å; A378-E382 VanDerWaalsContact O-CB 3.28Å; A378-E382 WeakPolarHBondContact O-CB 3.2Å; A378-E382 PolarHBondContact O-N 3.42Å
379	I	94.3	Very high	89.7	Confident	26 Å²	26	72.3 Å²	72.3	13%	0.133	35%	0.345	C	S	.	.	H	α-helix	trans	-61.7	-46.5	178.3	-67.7	167.8	0	0	0	111	H287 L288 E291 P375 F376 Q381 E382 I383	H287-I379 HydrophobicContact CB-CG2 4.04Å; L288-I379 HydrophobicContact CD2-CB 4.02Å; L288-I379 HydrophobicContact CD2-CD1 4.28Å; L288-I379 HydrophobicContact CD2-CG2 3.74Å; L288-I379 HydrophobicContact CG-CG2 4.13Å; E291-I379 HydrophobicContact CB-CD1 3.54Å; E291-I379 HydrophobicContact CG-CD1 3.59Å; P375-I379 WeakPolarHBondContact O-CG1 3.3Å; P375-I379 PolarHBondContact O-N 2.83Å; P375-I379 VanDerWaalsContact O-N 3.08Å; F376-I379 PolarHBondContact O-N 3.23Å; I379-Q381 PolarHBondContact O-N 3.18Å; I379-E382 PolarHBondContact O-N 3.15Å; I379-I383 HydrophobicContact CG2-CD1 3.78Å; I379-I383 WeakPolarHBondContact O-CG1 3.2Å; I379-I383 PolarHBondContact O-N 3.11Å
380	V	92.8	Very high	88.7	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-62.8	-44.2	178.7	173.8	0	0	0	0	111	F284 L288 M370 F376 K377 Q384 L394	F284-V380 HydrophobicContact CE1-CG1 4.33Å; L288-V380 HydrophobicContact CD1-CG2 4.17Å; L288-V380 HydrophobicContact CD2-CG2 4.4Å; M370-V380 HydrophobicContact CE-CB 4.45Å; M370-V380 HydrophobicContact CE-CG1 4.04Å; M370-V380 HydrophobicContact SD-CB 3.8Å; M370-V380 HydrophobicContact SD-CG1 3.79Å; M370-V380 HydrophobicContact SD-CG2 4.21Å; F376-V380 HydrophobicContact CD1-CG2 4.21Å; F376-V380 HydrophobicContact CE1-CG2 3.87Å; F376-V380 HydrophobicContact CZ-CG2 4.23Å; F376-V380 WeakPolarHBondContact O-CG2 3.43Å; F376-V380 PolarHBondContact O-N 3.27Å; F376-V380 VanDerWaalsContact O-N 3.1Å; K377-V380 PolarHBondContact O-N 2.84Å; V380-Q384 WeakPolarHBondContact O-CB 3.28Å; V380-Q384 VanDerWaalsContact O-CG 3.23Å; V380-Q384 WeakPolarHBondContact O-CG 3.47Å; V380-Q384 PolarHBondContact O-N 3.28Å; V380-L394 HydrophobicContact CG1-CB 4.03Å; V380-L394 HydrophobicContact CG1-CD2 4.23Å; V380-L394 HydrophobicContact CG2-CD2 4.03Å
381	Q	91.2	Very high	87.8	Confident	103 Å²	103	78.7 Å²	78.7	48%	0.481	39%	0.39	S	S	.	.	H	α-helix	trans	-69.8	-29.6	177.9	-71.4	-173	-42.3	0	0	113.6	M370 K377 A378 I379 R385	M370-Q381 HydrophobicContact CE-CG 4.32Å; K377-Q381 HydrophobicContact CG-CG 4.31Å; K377-Q381 WeakPolarHBondContact O-CB 3.39Å; K377-Q381 VanDerWaalsContact O-CG 3.28Å; K377-Q381 WeakPolarHBondContact O-CG 3.24Å; K377-Q381 PolarHBondContact O-N 3.1Å; A378-Q381 PolarHBondContact O-N 2.79Å; I379-Q381 PolarHBondContact O-N 3.18Å; Q381-R385 PolarHBondContact O-N 3.26Å
382	E	93	Very high	87.1	Confident	115 Å²	115	72.7 Å²	72.7	54%	0.537	36%	0.363	S	S	.	.	H	α-helix	trans	-67.6	-51.1	174.8	178.7	162.3	-139.8	0	0	111.2	A378 I379 Q384 R385	A378-E382 VanDerWaalsContact O-CB 3.28Å; A378-E382 WeakPolarHBondContact O-CB 3.2Å; A378-E382 PolarHBondContact O-N 3.42Å; I379-E382 PolarHBondContact O-N 3.15Å; E382-Q384 VanDerWaalsContact C-N 3.32Å; E382-Q384 PolarHBondContact O-N 3.43Å; E382-R385 WeakPolarHBondContact O-CB 3.41Å; E382-R385 PolarHBondContact O-N 3.08Å; E382-R385 VanDerWaalsContact O-N 3.11Å
383	I	90.9	Very high	86.7	Confident	3 Å²	3	65.2 Å²	65.2	2%	0.015	34%	0.337	C	S	.	.	H	α-helix	trans	-63.7	-38.4	177.4	-60.6	162.5	0	0	0	110.6	L279 V283 F284 H287 I379 R385 E386 C389	L279-I383 HydrophobicContact CD1-CG2 4.22Å; V283-I383 HydrophobicContact CG1-CD1 4.08Å; V283-I383 HydrophobicContact CG1-CG1 4.12Å; V283-I383 HydrophobicContact CG1-CG2 3.81Å; F284-I383 HydrophobicContact CD1-CB 4.05Å; F284-I383 HydrophobicContact CD1-CD1 3.66Å; F284-I383 HydrophobicContact CD1-CG1 4.48Å; F284-I383 HydrophobicContact CD1-CG2 3.87Å; F284-I383 HydrophobicContact CD2-CG2 4.08Å; F284-I383 HydrophobicContact CE1-CB 3.59Å; F284-I383 HydrophobicContact CE1-CD1 4.09Å; F284-I383 HydrophobicContact CE1-CG1 4.46Å; F284-I383 HydrophobicContact CE1-CG2 3.49Å; F284-I383 VanDerWaalsContact CE1-CG2 3.49Å; F284-I383 HydrophobicContact CE2-CG2 3.71Å; F284-I383 HydrophobicContact CG-CD1 4.26Å; F284-I383 HydrophobicContact CG-CG2 4.16Å; F284-I383 HydrophobicContact CZ-CB 3.95Å; F284-I383 HydrophobicContact CZ-CG2 3.4Å; H287-I383 HydrophobicContact CB-CD1 4.28Å; I379-I383 HydrophobicContact CG2-CD1 3.78Å; I379-I383 WeakPolarHBondContact O-CG1 3.2Å; I379-I383 PolarHBondContact O-N 3.11Å; I383-R385 PolarHBondContact O-N 2.73Å; I383-R385 VanDerWaalsContact O-N 3.16Å; I383-E386 WeakPolarHBondContact O-CB 3.33Å; I383-E386 PolarHBondContact O-N 3.48Å; I383-E386 VanDerWaalsContact O-N 3.08Å; I383-C389 VanDerWaalsContact O-CB 3.32Å; I383-C389 WeakPolarHBondContact O-CB 3.26Å
384	Q	88.8	Confident	86.4	Confident	40 Å²	40	64.8 Å²	64.8	19%	0.187	33%	0.334	C	S	.	.	H	α-helix	trans	-58.5	-26.1	174.6	-83	-174	-103.7	0	0	114.6	F284 V380 E382 E386	F284-Q384 HydrophobicContact CZ-CG 4.45Å; V380-Q384 WeakPolarHBondContact O-CB 3.28Å; V380-Q384 VanDerWaalsContact O-CG 3.23Å; V380-Q384 WeakPolarHBondContact O-CG 3.47Å; V380-Q384 PolarHBondContact O-N 3.28Å; E382-Q384 VanDerWaalsContact C-N 3.32Å; E382-Q384 PolarHBondContact O-N 3.43Å; Q384-E386 VanDerWaalsContact C-N 3.33Å
385	R	87	Confident	85.9	Confident	186 Å²	186	62.3 Å²	62.3	70%	0.702	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-10.1	-179.7	-167.7	-179	61.3	82.6	3.7	112.6	Q381 E382 I383	Q381-R385 PolarHBondContact O-N 3.26Å; E382-R385 WeakPolarHBondContact O-CB 3.41Å; E382-R385 PolarHBondContact O-N 3.08Å; E382-R385 VanDerWaalsContact O-N 3.11Å; I383-R385 PolarHBondContact O-N 2.73Å; I383-R385 VanDerWaalsContact O-N 3.16Å
386	E	87.9	Confident	85.3	Confident	61 Å²	61	60.5 Å²	60.5	29%	0.285	30%	0.296	S	S	.	.	S	Bend	trans	-77.4	143.7	178.2	-57.4	177.7	133.7	0	0	111.6	I383 Q384 R388 C389	I383-E386 WeakPolarHBondContact O-CB 3.33Å; I383-E386 PolarHBondContact O-N 3.48Å; I383-E386 VanDerWaalsContact O-N 3.08Å; Q384-E386 VanDerWaalsContact C-N 3.33Å; E386-R388 VanDerWaalsContact C-N 3.25Å; E386-R388 HydrophobicContact CB-CG 4.01Å; E386-R388 PolarHBondContact O-N 2.65Å; E386-R388 IonicContact OE1-CZ 2.78Å; E386-R388 IonicContact OE1-NE 2.65Å; E386-R388 IonicContact OE1-NH2 2.69Å; E386-R388 PolarHBondContact OE1-NH2 3.43Å; E386-R388 IonicContact OE2-CZ 2.66Å; E386-R388 IonicContact OE2-NE 2.73Å; E386-R388 PolarHBondContact OE2-NE 3.08Å; E386-R388 IonicContact OE2-NH2 3.42Å; E386-R388 PolarHBondContact OE2-NH2 2.7Å; E386-C389 VanDerWaalsContact O-CB 3.29Å; E386-C389 WeakPolarHBondContact O-CB 3.39Å; E386-C389 PolarHBondContact O-N 3.21Å
387	E	79.3	Confident	84.7	Confident	192 Å²	192	60.5 Å²	60.5	90%	0.897	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-57	-37.2	-178.4	-172.6	171	-161.6	0	0	112.8	C389 G390	E387-C389 PolarHBondContact O-N 3.29Å; E387-C389 VanDerWaalsContact O-N 3.16Å; E387-G390 PolarHBondContact O-N 2.95Å
388	R	80.4	Confident	84.4	Confident	117 Å²	117	56.6 Å²	56.6	44%	0.442	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-58.9	-25.4	174.9	61.7	176.9	172.6	-169.9	-9.5	114.1	L279 V283 E386 G390	L279-R388 HydrophobicContact CD1-CG 4.1Å; V283-R388 VanDerWaalsContact CG2-NH1 3.33Å; E386-R388 VanDerWaalsContact C-N 3.25Å; E386-R388 HydrophobicContact CB-CG 4.01Å; E386-R388 PolarHBondContact O-N 2.65Å; E386-R388 IonicContact OE1-CZ 2.78Å; E386-R388 IonicContact OE1-NE 2.65Å; E386-R388 IonicContact OE1-NH2 2.69Å; E386-R388 PolarHBondContact OE1-NH2 3.43Å; E386-R388 IonicContact OE2-CZ 2.66Å; E386-R388 IonicContact OE2-NE 2.73Å; E386-R388 PolarHBondContact OE2-NE 3.08Å; E386-R388 IonicContact OE2-NH2 3.42Å; E386-R388 PolarHBondContact OE2-NH2 2.7Å; R388-G390 VanDerWaalsContact C-N 3.33Å
389	C	75.8	Confident	83.7	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-80.7	-13.9	177	-158.3	0	0	0	0	112.8	L279 I383 E386 E387 N391 L392 H397	L279-C389 HydrophobicContact CD2-CB 4.49Å; I383-C389 VanDerWaalsContact O-CB 3.32Å; I383-C389 WeakPolarHBondContact O-CB 3.26Å; E386-C389 VanDerWaalsContact O-CB 3.29Å; E386-C389 WeakPolarHBondContact O-CB 3.39Å; E386-C389 PolarHBondContact O-N 3.21Å; E387-C389 PolarHBondContact O-N 3.29Å; E387-C389 VanDerWaalsContact O-N 3.16Å; C389-N391 PolarHBondContact O-N 3.04Å; C389-L392 PolarHBondContact O-N 3.34Å; C389-L392 VanDerWaalsContact O-N 3.1Å; C389-L392 PolarHBondContact SG-O 3.05Å; C389-H397 PolarHBondContact O-CE1 2.97Å; C389-H397 VanDerWaalsContact O-CE1 3.26Å; C389-H397 PolarHBondContact O-NE2 2.96Å; C389-H397 PolarHBondContact SG-NE2 2.68Å
390	G	71.6	Confident	83	Confident	40 Å²	40	55 Å²	55	41%	0.412	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	19.4	174.8	0	0	0	0	0	114.9	E387 R388 L392	E387-G390 PolarHBondContact O-N 2.95Å; R388-G390 VanDerWaalsContact C-N 3.33Å; G390-L392 PolarHBondContact O-N 3.27Å
391	N	70.2	Confident	82.6	Confident	144 Å²	144	55 Å²	55	77%	0.77	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	9	-168.1	-48.5	-81.4	0	0	0	115.1	C389	C389-N391 PolarHBondContact O-N 3.04Å
392	L	73.3	Confident	81.9	Confident	48 Å²	48	50.4 Å²	50.4	25%	0.251	24%	0.241	S	C	.	.			trans	-79.9	156.6	173.2	-56.4	-178.7	0	0	0	110.5	C389 G390 H396	C389-L392 PolarHBondContact O-N 3.34Å; C389-L392 VanDerWaalsContact O-N 3.1Å; C389-L392 PolarHBondContact SG-O 3.05Å; G390-L392 PolarHBondContact O-N 3.27Å; L392-H396 HydrophobicContact CB-CB 3.91Å
393	T	82.3	Confident	80.7	Confident	17 Å²	17	46.7 Å²	46.7	10%	0.104	22%	0.223	C	C	.	.			trans	-83.3	162.4	178.6	84.7	0	0	0	0	112.3	Q395 H396 H397	T393-Q395 VanDerWaalsContact CB-OE1 3.24Å; T393-Q395 PolarHBondContact O-N 3Å; T393-Q395 PolarHBondContact OG1-N 2.8Å; T393-Q395 PolarHBondContact OG1-OE1 3.04Å; T393-H396 PolarHBondContact N-ND1 2.64Å; T393-H396 WeakPolarHBondContact O-CB 3.36Å; T393-H396 PolarHBondContact O-N 3.37Å; T393-H396 PolarHBondContact OG1-N 3.33Å; T393-H396 PolarHBondContact OG1-ND1 3.11Å; T393-H397 PolarHBondContact O-CD2 3.45Å; T393-H397 VanDerWaalsContact O-CD2 3.23Å; T393-H397 PolarHBondContact O-N 3.4Å
394	L	86.9	Confident	80.4	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-49.3	-45.6	171	168.8	57.3	0	0	0	111.3	L280 F284 F307 V366 V380 H396 H397 M398	L280-L394 HydrophobicContact CD2-CD1 4.08Å; F284-L394 HydrophobicContact CB-CD1 4.08Å; F284-L394 HydrophobicContact CD1-CB 4.44Å; F284-L394 HydrophobicContact CD1-CD1 3.98Å; F284-L394 HydrophobicContact CD1-CD2 4.35Å; F284-L394 HydrophobicContact CD1-CG 4.48Å; F284-L394 HydrophobicContact CD2-CD1 3.87Å; F284-L394 HydrophobicContact CE1-CB 4.01Å; F284-L394 HydrophobicContact CE1-CD1 4.31Å; F284-L394 HydrophobicContact CE2-CD1 4.22Å; F284-L394 HydrophobicContact CG-CD1 3.75Å; F284-L394 HydrophobicContact CZ-CB 4.1Å; F284-L394 HydrophobicContact CZ-CD1 4.42Å; F307-L394 HydrophobicContact CE1-CD1 3.91Å; F307-L394 HydrophobicContact CZ-CD1 3.89Å; F307-L394 HydrophobicContact CZ-CD2 4.23Å; V366-L394 HydrophobicContact CG1-CD2 4.32Å; V366-L394 HydrophobicContact CG2-CD2 4.15Å; V380-L394 HydrophobicContact CG1-CB 4.03Å; V380-L394 HydrophobicContact CG1-CD2 4.23Å; V380-L394 HydrophobicContact CG2-CD2 4.03Å; L394-H396 VanDerWaalsContact C-N 3.25Å; L394-H396 PolarHBondContact O-N 2.91Å; L394-H397 PolarHBondContact O-N 2.93Å; L394-M398 HydrophobicContact CD1-CG 3.94Å; L394-M398 HydrophobicContact CD1-SD 3.86Å; L394-M398 HydrophobicContact CD2-SD 4.49Å; L394-M398 HydrophobicContact CG-CG 4.41Å; L394-M398 HydrophobicContact CG-SD 3.79Å; L394-M398 VanDerWaalsContact O-CG 3.31Å; L394-M398 WeakPolarHBondContact O-CG 3.49Å; L394-M398 PolarHBondContact O-N 2.89Å
395	Q	84.3	Confident	79.9	Confident	25 Å²	25	45 Å²	45	12%	0.117	22%	0.215	C	C	.	.	H	α-helix	trans	-65.4	-23.5	179.1	-51.2	99.1	-40	0	0	113.7	M363 V366 N367 T393 L399	M363-Q395 HydrophobicContact CE-CB 3.97Å; M363-Q395 HydrophobicContact CE-CG 3.79Å; M363-Q395 HydrophobicContact SD-CB 3.72Å; M363-Q395 HydrophobicContact SD-CG 3.62Å; V366-Q395 HydrophobicContact CB-CG 4.45Å; V366-Q395 HydrophobicContact CG1-CG 3.9Å; N367-Q395 PolarHBondContact OD1-NE2 3.14Å; T393-Q395 VanDerWaalsContact CB-OE1 3.24Å; T393-Q395 PolarHBondContact O-N 3Å; T393-Q395 PolarHBondContact OG1-N 2.8Å; T393-Q395 PolarHBondContact OG1-OE1 3.04Å; Q395-L399 WeakPolarHBondContact O-CG 3.16Å
396	H	78.4	Confident	79.1	Confident	15 Å²	15	38 Å²	38	7%	0.069	19%	0.194	C	C	.	.	H	α-helix	trans	-70.8	-50.3	170.9	-68.9	57.5	0	0	0	110.4	L392 T393 L394 M398 L399 L457 Y460	L392-H396 HydrophobicContact CB-CB 3.91Å; T393-H396 PolarHBondContact N-ND1 2.64Å; T393-H396 WeakPolarHBondContact O-CB 3.36Å; T393-H396 PolarHBondContact O-N 3.37Å; T393-H396 PolarHBondContact OG1-N 3.33Å; T393-H396 PolarHBondContact OG1-ND1 3.11Å; L394-H396 VanDerWaalsContact C-N 3.25Å; L394-H396 PolarHBondContact O-N 2.91Å; H396-M398 VanDerWaalsContact C-N 3.3Å; H396-M398 PolarHBondContact O-N 3.43Å; H396-L399 WeakPolarHBondContact O-CB 3.44Å; H396-L399 PolarHBondContact O-N 3Å; H396-L399 VanDerWaalsContact O-N 3.12Å; H396-L457 HydrophobicContact CB-CD1 4.31Å; H396-L457 VanDerWaalsContact CE1-CD2 3.48Å; H396-L457 WeakPolarHBondContact CE1-CD2 3.28Å; H396-Y460 AromaticContact NE2-CD1 3.85Å
397	H	83.2	Confident	78.5	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-62.7	-36.4	-178	-64.3	-68	0	0	0	112	L280 C389 T393 L394 L399 E400	L280-H397 HydrophobicContact CD2-CB 3.75Å; L280-H397 HydrophobicContact CG-CB 4.23Å; C389-H397 PolarHBondContact O-CE1 2.97Å; C389-H397 VanDerWaalsContact O-CE1 3.26Å; C389-H397 PolarHBondContact O-NE2 2.96Å; C389-H397 PolarHBondContact SG-NE2 2.68Å; T393-H397 PolarHBondContact O-CD2 3.45Å; T393-H397 VanDerWaalsContact O-CD2 3.23Å; T393-H397 PolarHBondContact O-N 3.4Å; L394-H397 PolarHBondContact O-N 2.93Å; H397-L399 PolarHBondContact O-N 3.49Å; H397-E400 WeakPolarHBondContact O-CB 3.38Å; H397-E400 PolarHBondContact O-N 3.44Å
398	M	87.1	Confident	78.6	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-16.2	177.2	-69.1	169.5	66.8	0	0	113.6	L280 I306 Y355 F359 A362 V366 L394 H396 P401	L280-M398 HydrophobicContact CD2-CG 3.76Å; I306-M398 HydrophobicContact CG2-CE 3.86Å; I306-M398 HydrophobicContact CG2-SD 4.24Å; Y355-M398 PolarHBondContact OH-O 3.46Å; F359-M398 HydrophobicContact CE2-CB 3.89Å; F359-M398 WeakPolarHBondContact CE2-O 3.22Å; F359-M398 HydrophobicContact CZ-CB 4.49Å; A362-M398 HydrophobicContact CB-CE 3.8Å; V366-M398 HydrophobicContact CG2-CE 4.45Å; V366-M398 HydrophobicContact CG2-SD 4.16Å; L394-M398 HydrophobicContact CD1-CG 3.94Å; L394-M398 HydrophobicContact CD1-SD 3.86Å; L394-M398 HydrophobicContact CD2-SD 4.49Å; L394-M398 HydrophobicContact CG-CG 4.41Å; L394-M398 HydrophobicContact CG-SD 3.79Å; L394-M398 VanDerWaalsContact O-CG 3.31Å; L394-M398 WeakPolarHBondContact O-CG 3.49Å; L394-M398 PolarHBondContact O-N 2.89Å; H396-M398 VanDerWaalsContact C-N 3.3Å; H396-M398 PolarHBondContact O-N 3.43Å; M398-P401 WeakPolarHBondContact O-CD 3.35Å
399	L	78.2	Confident	78.4	Confident	4 Å²	4	27.5 Å²	27.5	2%	0.021	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-23.9	175.8	-57.1	164.8	0	0	0	113	F359 Q395 H396 H397 P401 V402 Q403 M450 M453 L457	F359-L399 HydrophobicContact CE1-CD2 3.88Å; F359-L399 HydrophobicContact CE2-CD2 4.08Å; F359-L399 HydrophobicContact CZ-CD2 3.34Å; F359-L399 HydrophobicContact CZ-CG 4.16Å; Q395-L399 WeakPolarHBondContact O-CG 3.16Å; H396-L399 WeakPolarHBondContact O-CB 3.44Å; H396-L399 PolarHBondContact O-N 3Å; H396-L399 VanDerWaalsContact O-N 3.12Å; H397-L399 PolarHBondContact O-N 3.49Å; L399-P401 VanDerWaalsContact C-CD 3.44Å; L399-V402 PolarHBondContact O-N 3.22Å; L399-Q403 WeakPolarHBondContact O-CG 3.46Å; L399-Q403 PolarHBondContact O-N 3.46Å; L399-Q403 VanDerWaalsContact O-N 3.11Å; L399-M450 HydrophobicContact CB-SD 3.96Å; L399-M450 HydrophobicContact CD2-CG 3.31Å; L399-M450 HydrophobicContact CD2-SD 3.6Å; L399-M450 VanDerWaalsContact CD2-SD 3.6Å; L399-M450 HydrophobicContact CG-SD 4.39Å; L399-M453 HydrophobicContact CD1-CG 4.23Å; L399-M453 HydrophobicContact CD2-CG 4.15Å; L399-L457 HydrophobicContact CD1-CD1 3.26Å
400	E	80.1	Confident	78.3	Confident	44 Å²	44	33 Å²	33	21%	0.206	18%	0.175	C	C	.	.	H	α-helix	trans	-57.4	-39.5	-174.9	-70.6	-80.3	-143.9	0	0	113.9	H397 V402 Q403 R404 R407	H397-E400 WeakPolarHBondContact O-CB 3.38Å; H397-E400 PolarHBondContact O-N 3.44Å; E400-V402 PolarHBondContact O-N 3.25Å; E400-Q403 PolarHBondContact O-N 3.41Å; E400-R404 PolarHBondContact O-N 2.88Å; E400-R407 IonicContact OE2-NH1 2.9Å; E400-R407 PolarHBondContact OE2-NH1 3.4Å
401	P	85.4	Confident	78.6	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.8	-47.5	178.3	-23.1	33.8	0	0	0	112.8	Y273 L277 L280 I310 Y352 Y355 M398 L399 Q403 R404	Y273-P401 VanDerWaalsContact OH-CA 3.22Å; Y273-P401 WeakPolarHBondContact OH-CA 3.48Å; Y273-P401 WeakPolarHBondContact OH-CB 3.12Å; L277-P401 HydrophobicContact CD2-CB 4.44Å; L277-P401 HydrophobicContact CD2-CG 3.94Å; L280-P401 HydrophobicContact CD1-CG 3.94Å; I310-P401 HydrophobicContact CD1-CB 4.34Å; I310-P401 HydrophobicContact CD1-CG 3.61Å; Y352-P401 HydrophobicContact CD1-CB 4.34Å; Y352-P401 HydrophobicContact CE1-CB 3.79Å; Y352-P401 WeakPolarHBondContact CE1-O 3.47Å; Y355-P401 HydrophobicContact CD1-CB 4.38Å; Y355-P401 HydrophobicContact CE1-CB 4.11Å; Y355-P401 HydrophobicContact CE1-CG 4.09Å; M398-P401 WeakPolarHBondContact O-CD 3.35Å; L399-P401 VanDerWaalsContact C-CD 3.44Å; P401-Q403 VanDerWaalsContact C-N 3.26Å; P401-Q403 PolarHBondContact O-N 3.37Å; P401-R404 WeakPolarHBondContact O-CB 3.26Å; P401-R404 PolarHBondContact O-N 3.13Å
402	V	75.7	Confident	79.2	Confident	5 Å²	5	25.5 Å²	25.5	3%	0.03	13%	0.125	C	C	.	.	H	α-helix	trans	-68.9	-28.8	-178.7	-174.5	0	0	0	0	111.3	Y355 V356 L399 E400 R404 P406 I447 M450	Y355-V402 HydrophobicContact CD1-CG2 3.78Å; Y355-V402 HydrophobicContact CE1-CG2 3.96Å; V356-V402 HydrophobicContact CG2-CB 4.19Å; V356-V402 HydrophobicContact CG2-CG1 3.71Å; V356-V402 HydrophobicContact CG2-CG2 3.56Å; L399-V402 PolarHBondContact O-N 3.22Å; E400-V402 PolarHBondContact O-N 3.25Å; V402-R404 VanDerWaalsContact C-N 3.29Å; V402-R404 PolarHBondContact O-N 3.44Å; V402-P406 VanDerWaalsContact O-CD 3.31Å; V402-P406 WeakPolarHBondContact O-CD 3.2Å; V402-I447 HydrophobicContact CG1-CG1 3.76Å; V402-M450 HydrophobicContact CB-CE 3.75Å; V402-M450 HydrophobicContact CB-SD 3.42Å; V402-M450 WeakPolarHBondContact CB-SD 3.12Å; V402-M450 HydrophobicContact CG1-CE 3.58Å; V402-M450 HydrophobicContact CG1-SD 3.55Å; V402-M450 VanDerWaalsContact CG1-SD 3.55Å; V402-M450 HydrophobicContact CG2-SD 4.08Å
403	Q	68.8	Low	79.5	Confident	37 Å²	37	27.2 Å²	27.2	17%	0.173	13%	0.13	C	C	.	.	H	α-helix	trans	-70.9	-18.8	171.6	-69	-178.4	58.1	0	0	113.7	L399 E400 P401 R407 M450	L399-Q403 WeakPolarHBondContact O-CG 3.46Å; L399-Q403 PolarHBondContact O-N 3.46Å; L399-Q403 VanDerWaalsContact O-N 3.11Å; E400-Q403 PolarHBondContact O-N 3.41Å; P401-Q403 VanDerWaalsContact C-N 3.26Å; P401-Q403 PolarHBondContact O-N 3.37Å; Q403-R407 WeakPolarHBondContact O-CD 3.43Å; Q403-R407 VanDerWaalsContact O-CG 3.32Å; Q403-R407 WeakPolarHBondContact O-CG 3.23Å; Q403-M450 HydrophobicContact CG-CE 3.66Å
404	R	83.8	Confident	79.2	Confident	4 Å²	4	28.9 Å²	28.9	2%	0.015	14%	0.139	C	C	.	.	H	α-helix	trans	-74.1	-36.3	-177.6	-166.6	72.4	177.6	146.2	2.2	112.8	L266 T269 E270 Y273 E400 P401 V402 R407 Y408	L266-R404 PolarHBondContact O-NH2 3.45Å; T269-R404 VanDerWaalsContact CB-NH1 3.31Å; T269-R404 PolarHBondContact OG1-NH1 2.84Å; T269-R404 PolarHBondContact OG1-NH2 3.18Å; E270-R404 VanDerWaalsContact CA-NH2 3.27Å; E270-R404 VanDerWaalsContact N-NH2 3.16Å; E270-R404 IonicContact OE2-CZ 2.7Å; E270-R404 IonicContact OE2-NE 3.09Å; E270-R404 PolarHBondContact OE2-NE 3.49Å; E270-R404 IonicContact OE2-NH2 3.64Å; E270-R404 PolarHBondContact OE2-NH2 3.04Å; Y273-R404 HydrophobicContact CD1-CB 4.33Å; Y273-R404 HydrophobicContact CD1-CG 3.64Å; Y273-R404 HydrophobicContact CD2-CB 4.32Å; Y273-R404 HydrophobicContact CD2-CG 4.35Å; Y273-R404 HydrophobicContact CE1-CB 3.96Å; Y273-R404 HydrophobicContact CE1-CG 3.58Å; Y273-R404 HydrophobicContact CE2-CB 3.98Å; Y273-R404 HydrophobicContact CE2-CG 4.33Å; Y273-R404 HydrophobicContact CG-CG 4.04Å; E400-R404 PolarHBondContact O-N 2.88Å; P401-R404 WeakPolarHBondContact O-CB 3.26Å; P401-R404 PolarHBondContact O-N 3.13Å; V402-R404 VanDerWaalsContact C-N 3.29Å; V402-R404 PolarHBondContact O-N 3.44Å; R404-R407 WeakPolarHBondContact O-CB 3.47Å; R404-R407 PolarHBondContact O-N 2.99Å; R404-R407 VanDerWaalsContact O-N 3.09Å; R404-Y408 HydrophobicContact CB-CE2 4.47Å; R404-Y408 HydrophobicContact CG-CD2 4.33Å; R404-Y408 HydrophobicContact CG-CE1 4.09Å; R404-Y408 HydrophobicContact CG-CE2 3.56Å; R404-Y408 VanDerWaalsContact CG-OH 3.25Å; R404-Y408 WeakPolarHBondContact CG-OH 3.35Å; R404-Y408 PolarHBondContact NE-OH 3.26Å; R404-Y408 PolarHBondContact O-N 3.05Å; R404-Y408 VanDerWaalsContact O-N 3.1Å
405	I	78.9	Confident	79.1	Confident	4 Å²	4	28.9 Å²	28.9	2%	0.021	14%	0.139	C	C	.	.	H	α-helix	trans	-60.7	-49.4	-177.1	-55.3	-56	0	0	0	112.7	L349 Y352 R407 Y408 E409 A440	L349-I405 HydrophobicContact CB-CD1 4.11Å; L349-I405 HydrophobicContact CD1-CD1 4.21Å; L349-I405 HydrophobicContact CD2-CD1 3.86Å; L349-I405 HydrophobicContact CG-CD1 4.28Å; Y352-I405 HydrophobicContact CD1-CD1 4.11Å; Y352-I405 HydrophobicContact CD1-CG1 3.91Å; Y352-I405 HydrophobicContact CD2-CD1 3.79Å; Y352-I405 HydrophobicContact CD2-CG1 4.33Å; Y352-I405 HydrophobicContact CE1-CD1 4.14Å; Y352-I405 HydrophobicContact CE1-CG1 4.25Å; Y352-I405 HydrophobicContact CE2-CD1 3.82Å; Y352-I405 HydrophobicContact CG-CD1 3.91Å; Y352-I405 HydrophobicContact CG-CG1 3.93Å; I405-R407 VanDerWaalsContact C-N 3.26Å; I405-R407 PolarHBondContact O-N 2.85Å; I405-Y408 HydrophobicContact CD1-CD2 4.19Å; I405-Y408 HydrophobicContact CD1-CE2 4.19Å; I405-Y408 PolarHBondContact O-N 2.8Å; I405-E409 PolarHBondContact O-N 3.41Å; I405-A440 HydrophobicContact CG2-CB 3.96Å
406	P	70.1	Confident	79.2	Confident	40 Å²	40	28.4 Å²	28.4	26%	0.26	14%	0.137	S	C	.	.	H	α-helix	trans	-65.3	-26.1	174.4	-21.9	34.9	0	0	0	113.7	V402 E409 L410	V402-P406 VanDerWaalsContact O-CD 3.31Å; V402-P406 WeakPolarHBondContact O-CD 3.2Å; P406-E409 PolarHBondContact O-N 3.12Å; P406-L410 WeakPolarHBondContact O-CG 3.1Å; P406-L410 PolarHBondContact O-N 3.13Å; P406-L410 VanDerWaalsContact O-N 3.07Å
407	R	74.5	Confident	79.5	Confident	96 Å²	96	34.1 Å²	34.1	36%	0.362	17%	0.168	S	C	.	.	H	α-helix	trans	-67.7	-38.3	175.4	-72.3	170.2	175.7	142	2.3	111.6	E400 Q403 R404 I405 L410 L411	E400-R407 IonicContact OE2-NH1 2.9Å; E400-R407 PolarHBondContact OE2-NH1 3.4Å; Q403-R407 WeakPolarHBondContact O-CD 3.43Å; Q403-R407 VanDerWaalsContact O-CG 3.32Å; Q403-R407 WeakPolarHBondContact O-CG 3.23Å; R404-R407 WeakPolarHBondContact O-CB 3.47Å; R404-R407 PolarHBondContact O-N 2.99Å; R404-R407 VanDerWaalsContact O-N 3.09Å; I405-R407 VanDerWaalsContact C-N 3.26Å; I405-R407 PolarHBondContact O-N 2.85Å; R407-L410 PolarHBondContact O-N 2.89Å; R407-L411 WeakPolarHBondContact O-CB 3.49Å; R407-L411 WeakPolarHBondContact O-CG 3.41Å; R407-L411 PolarHBondContact O-N 3.33Å
408	Y	82	Confident	79.5	Confident	4 Å²	4	38.9 Å²	38.9	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-62.6	-43.6	172.3	-62.5	-48.5	0	0	0	112	L266 E270 H317 L321 L349 R404 I405 L410 L412	L266-Y408 HydrophobicContact CD1-CD1 3.76Å; L266-Y408 HydrophobicContact CD1-CE1 3.9Å; E270-Y408 PolarHBondContact OE2-OH 3.47Å; H317-Y408 AromaticContact CE1-CZ 3.97Å; H317-Y408 PolarHBondContact CE1-OH 3.45Å; H317-Y408 PolarHBondContact ND1-OH 2.92Å; L321-Y408 HydrophobicContact CD2-CE1 4.27Å; L349-Y408 HydrophobicContact CD1-CD2 4.16Å; L349-Y408 HydrophobicContact CD1-CE2 4.43Å; L349-Y408 HydrophobicContact CD2-CE2 4.2Å; R404-Y408 HydrophobicContact CB-CE2 4.47Å; R404-Y408 HydrophobicContact CG-CD2 4.33Å; R404-Y408 HydrophobicContact CG-CE1 4.09Å; R404-Y408 HydrophobicContact CG-CE2 3.56Å; R404-Y408 VanDerWaalsContact CG-OH 3.25Å; R404-Y408 WeakPolarHBondContact CG-OH 3.35Å; R404-Y408 PolarHBondContact NE-OH 3.26Å; R404-Y408 PolarHBondContact O-N 3.05Å; R404-Y408 VanDerWaalsContact O-N 3.1Å; I405-Y408 HydrophobicContact CD1-CD2 4.19Å; I405-Y408 HydrophobicContact CD1-CE2 4.19Å; I405-Y408 PolarHBondContact O-N 2.8Å; Y408-L410 VanDerWaalsContact C-N 3.35Å; Y408-L410 PolarHBondContact O-N 2.98Å; Y408-L412 WeakPolarHBondContact O-CB 3.4Å; Y408-L412 PolarHBondContact O-N 3.37Å
409	E	76.8	Confident	79.5	Confident	48 Å²	48	39.7 Å²	39.7	22%	0.224	19%	0.19	C	C	.	.	H	α-helix	trans	-59.6	-44.1	178.3	-165.1	-161.5	137.1	0	0	111.9	I405 P406 K413 L433 I436	I405-E409 PolarHBondContact O-N 3.41Å; P406-E409 PolarHBondContact O-N 3.12Å; E409-K413 HydrophobicContact CG-CD 4.38Å; E409-K413 WeakPolarHBondContact O-CB 3.34Å; E409-K413 VanDerWaalsContact O-CG 3.28Å; E409-K413 WeakPolarHBondContact O-CG 3.16Å; E409-K413 PolarHBondContact O-N 3.49Å; E409-K413 IonicContact OE1-NZ 3.65Å; E409-K413 PolarHBondContact OE1-NZ 3.4Å; E409-L433 HydrophobicContact CB-CD1 4.4Å; E409-L433 HydrophobicContact CG-CD1 3.66Å; E409-I436 HydrophobicContact CB-CG2 4.14Å
410	L	73.1	Confident	79.9	Confident	116 Å²	116	41.9 Å²	41.9	61%	0.607	20%	0.204	S	C	*	.	H	α-helix	trans	-68.2	-48.9	178.5	-70.4	170.8	0	0	0	112.7	P406 R407 Y408 L412 K413 D414	P406-L410 WeakPolarHBondContact O-CG 3.1Å; P406-L410 PolarHBondContact O-N 3.13Å; P406-L410 VanDerWaalsContact O-N 3.07Å; R407-L410 PolarHBondContact O-N 2.89Å; Y408-L410 VanDerWaalsContact C-N 3.35Å; Y408-L410 PolarHBondContact O-N 2.98Å; L410-L412 VanDerWaalsContact C-N 3.3Å; L410-L412 PolarHBondContact O-N 2.97Å; L410-K413 PolarHBondContact O-N 3.09Å; L410-D414 PolarHBondContact O-N 3.17Å
411	L	77.3	Confident	80	Confident	22 Å²	22	48.5 Å²	48.5	12%	0.115	24%	0.235	C	C	.	.	H	α-helix	trans	-61.3	-39.8	178.9	-73.6	169.2	0	0	0	111.5	I262 E265 L266 R407 D414 Y415	I262-L411 HydrophobicContact CG2-CD2 4.46Å; E265-L411 HydrophobicContact CG-CD2 4.12Å; L266-L411 HydrophobicContact CB-CD1 4.41Å; L266-L411 HydrophobicContact CD1-CD1 3.9Å; R407-L411 WeakPolarHBondContact O-CB 3.49Å; R407-L411 WeakPolarHBondContact O-CG 3.41Å; R407-L411 PolarHBondContact O-N 3.33Å; L411-D414 PolarHBondContact O-N 3.4Å; L411-Y415 WeakPolarHBondContact O-CB 3.33Å; L411-Y415 PolarHBondContact O-N 2.94Å
412	L	83.4	Confident	79.9	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-74.2	-32.1	-179.3	-172.1	59.2	0	0	0	112.8	L342 Y408 L410 Y415 L416 A429 L433 I436	L342-L412 HydrophobicContact CD1-CD1 3.95Å; L342-L412 HydrophobicContact CD1-CD2 4.38Å; Y408-L412 WeakPolarHBondContact O-CB 3.4Å; Y408-L412 PolarHBondContact O-N 3.37Å; L410-L412 VanDerWaalsContact C-N 3.3Å; L410-L412 PolarHBondContact O-N 2.97Å; L412-Y415 HydrophobicContact CD1-CD1 4.4Å; L412-Y415 PolarHBondContact O-N 3.06Å; L412-L416 HydrophobicContact CG-CD1 4.48Å; L412-L416 WeakPolarHBondContact O-CB 3.38Å; L412-L416 WeakPolarHBondContact O-CG 3.3Å; L412-L416 PolarHBondContact O-N 3.42Å; L412-A429 HydrophobicContact CD1-CB 3.79Å; L412-L433 HydrophobicContact CB-CD1 4.42Å; L412-L433 HydrophobicContact CD2-CB 3.78Å; L412-L433 HydrophobicContact CD2-CD1 4.3Å; L412-L433 HydrophobicContact CG-CB 4.23Å; L412-L433 HydrophobicContact CG-CD1 4.49Å; L412-I436 HydrophobicContact CD2-CD1 3.67Å
413	K	78.5	Confident	80.4	Confident	85 Å²	85	56 Å²	56	37%	0.37	28%	0.278	S	S	.	.	H	α-helix	trans	-63.9	-44.9	169	-80.8	170.8	173	175.1	0	111.8	E409 L410 Y415 L416 N417 L433	E409-K413 HydrophobicContact CG-CD 4.38Å; E409-K413 WeakPolarHBondContact O-CB 3.34Å; E409-K413 VanDerWaalsContact O-CG 3.28Å; E409-K413 WeakPolarHBondContact O-CG 3.16Å; E409-K413 PolarHBondContact O-N 3.49Å; E409-K413 IonicContact OE1-NZ 3.65Å; E409-K413 PolarHBondContact OE1-NZ 3.4Å; L410-K413 PolarHBondContact O-N 3.09Å; K413-Y415 VanDerWaalsContact C-N 3.35Å; K413-L416 PolarHBondContact O-N 2.93Å; K413-N417 WeakPolarHBondContact O-CB 3.44Å; K413-N417 PolarHBondContact O-N 2.92Å; K413-N417 PolarHBondContact O-ND2 3.46Å; K413-L433 HydrophobicContact CD-CD1 4.42Å; K413-L433 HydrophobicContact CD-CD2 4.43Å; K413-L433 HydrophobicContact CG-CD1 3.92Å; K413-L433 HydrophobicContact CG-CD2 3.6Å; K413-L433 HydrophobicContact CG-CG 4.42Å
414	D	76.3	Confident	81.1	Confident	51 Å²	51	59.3 Å²	59.3	27%	0.273	30%	0.303	S	S	.	.	H	α-helix	trans	-68.6	-34.5	176.5	-165.5	27.2	0	0	0	112.1	I262 L410 L411 R418	I262-D414 HydrophobicContact CD1-CB 4.09Å; I262-D414 WeakPolarHBondContact CD1-OD2 3.24Å; L410-D414 PolarHBondContact O-N 3.17Å; L411-D414 PolarHBondContact O-N 3.4Å; D414-R418 WeakPolarHBondContact O-CG 3.4Å; D414-R418 PolarHBondContact O-N 2.92Å; D414-R418 IonicContact OD1-CZ 2.61Å; D414-R418 VanDerWaalsContact OD1-CZ 3.26Å; D414-R418 IonicContact OD1-NE 3.12Å; D414-R418 PolarHBondContact OD1-NE 3.1Å; D414-R418 IonicContact OD1-NH2 2.7Å; D414-R418 PolarHBondContact OD1-NH2 2.75Å; D414-R418 IonicContact OD2-CZ 3.3Å; D414-R418 IonicContact OD2-NE 2.87Å; D414-R418 IonicContact OD2-NH2 3.05Å; D414-R418 PolarHBondContact OD2-NH2 3.31Å
415	Y	85	Confident	81.5	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.1	-52.6	171.8	-173.7	-94.3	0	0	0	111.4	V259 I262 I338 L411 L412 K413 N417 R418 L419 D425 A429	V259-Y415 HydrophobicContact CG1-CD2 4.1Å; V259-Y415 HydrophobicContact CG1-CE2 3.36Å; I262-Y415 HydrophobicContact CB-CD2 4.35Å; I262-Y415 HydrophobicContact CG2-CD2 4.15Å; I338-Y415 HydrophobicContact CD1-CD1 4.4Å; I338-Y415 HydrophobicContact CD1-CD2 3.66Å; I338-Y415 HydrophobicContact CD1-CE1 4.38Å; I338-Y415 HydrophobicContact CD1-CE2 3.62Å; I338-Y415 HydrophobicContact CD1-CG 4.06Å; I338-Y415 HydrophobicContact CG1-CD1 4.36Å; I338-Y415 HydrophobicContact CG1-CD2 4.2Å; I338-Y415 HydrophobicContact CG1-CE1 3.92Å; I338-Y415 HydrophobicContact CG1-CE2 3.75Å; I338-Y415 HydrophobicContact CG1-CG 4.48Å; L411-Y415 WeakPolarHBondContact O-CB 3.33Å; L411-Y415 PolarHBondContact O-N 2.94Å; L412-Y415 HydrophobicContact CD1-CD1 4.4Å; L412-Y415 PolarHBondContact O-N 3.06Å; K413-Y415 VanDerWaalsContact C-N 3.35Å; Y415-N417 PolarHBondContact O-N 3.23Å; Y415-R418 PolarHBondContact O-N 3.11Å; Y415-R418 VanDerWaalsContact O-N 3.14Å; Y415-L419 HydrophobicContact CE1-CD1 4.18Å; Y415-L419 HydrophobicContact CE1-CD2 4.04Å; Y415-L419 WeakPolarHBondContact O-CB 3.2Å; Y415-L419 PolarHBondContact O-N 2.97Å; Y415-D425 WeakPolarHBondContact CE1-OD2 3.42Å; Y415-D425 PolarHBondContact OH-OD2 3.04Å; Y415-A429 HydrophobicContact CD1-CB 4.16Å; Y415-A429 HydrophobicContact CE1-CB 4.25Å
416	L	87.1	Confident	82.1	Confident	15 Å²	15	61.6 Å²	61.6	8%	0.079	31%	0.313	C	S	.	.	H	α-helix	trans	-58.6	-44.7	176.8	-80.5	162.2	0	0	0	112.5	L412 K413 R418 L419 A429 Q430 L433	L412-L416 HydrophobicContact CG-CD1 4.48Å; L412-L416 WeakPolarHBondContact O-CB 3.38Å; L412-L416 WeakPolarHBondContact O-CG 3.3Å; L412-L416 PolarHBondContact O-N 3.42Å; K413-L416 PolarHBondContact O-N 2.93Å; L416-R418 PolarHBondContact O-N 3.34Å; L416-R418 VanDerWaalsContact O-N 3.08Å; L416-L419 PolarHBondContact O-N 3.23Å; L416-A429 HydrophobicContact CD1-CB 4.46Å; L416-A429 HydrophobicContact CD2-CB 3.69Å; L416-A429 HydrophobicContact CG-CB 3.96Å; L416-Q430 HydrophobicContact CD2-CB 4.27Å; L416-L433 HydrophobicContact CD1-CB 4.3Å; L416-L433 HydrophobicContact CD1-CD2 3.88Å
417	N	84.1	Confident	83.1	Confident	135 Å²	135	70 Å²	70	72%	0.722	34%	0.34	S	S	*	.	H	α-helix	trans	-62.2	-15.8	178.3	-72	-21.3	0	0	0	114.2	K413 Y415	K413-N417 WeakPolarHBondContact O-CB 3.44Å; K413-N417 PolarHBondContact O-N 2.92Å; K413-N417 PolarHBondContact O-ND2 3.46Å; Y415-N417 PolarHBondContact O-N 3.23Å
418	R	83.8	Confident	84	Confident	102 Å²	102	67.6 Å²	67.6	39%	0.385	33%	0.334	S	S	.	.	H	α-helix	trans	-115.1	-2.9	179.7	-59.6	-173.7	-155.7	-159.6	6.5	113.4	V255 V259 I262 D414 Y415 L416	V255-R418 VanDerWaalsContact CG1-O 3.26Å; V255-R418 WeakPolarHBondContact CG1-O 3.4Å; V259-R418 HydrophobicContact CG2-CB 4.27Å; V259-R418 VanDerWaalsContact CG2-O 3.28Å; V259-R418 WeakPolarHBondContact CG2-O 3.16Å; I262-R418 HydrophobicContact CD1-CG 4.47Å; D414-R418 WeakPolarHBondContact O-CG 3.4Å; D414-R418 PolarHBondContact O-N 2.92Å; D414-R418 IonicContact OD1-CZ 2.61Å; D414-R418 VanDerWaalsContact OD1-CZ 3.26Å; D414-R418 IonicContact OD1-NE 3.12Å; D414-R418 PolarHBondContact OD1-NE 3.1Å; D414-R418 IonicContact OD1-NH2 2.7Å; D414-R418 PolarHBondContact OD1-NH2 2.75Å; D414-R418 IonicContact OD2-CZ 3.3Å; D414-R418 IonicContact OD2-NE 2.87Å; D414-R418 IonicContact OD2-NH2 3.05Å; D414-R418 PolarHBondContact OD2-NH2 3.31Å; Y415-R418 PolarHBondContact O-N 3.11Å; Y415-R418 VanDerWaalsContact O-N 3.14Å; L416-R418 PolarHBondContact O-N 3.34Å; L416-R418 VanDerWaalsContact O-N 3.08Å
419	L	87.3	Confident	84.5	Confident	17 Å²	17	67.4 Å²	67.4	9%	0.089	33%	0.333	C	S	.	.	S	Bend	trans	-91.8	131.6	178.9	-169.2	77.8	0	0	0	109.6	V259 Y415 L416 A423 D425 H426	V259-L419 HydrophobicContact CG1-CD1 4.01Å; V259-L419 HydrophobicContact CG2-CD1 4.32Å; Y415-L419 HydrophobicContact CE1-CD1 4.18Å; Y415-L419 HydrophobicContact CE1-CD2 4.04Å; Y415-L419 WeakPolarHBondContact O-CB 3.2Å; Y415-L419 PolarHBondContact O-N 2.97Å; L416-L419 PolarHBondContact O-N 3.23Å; L419-A423 HydrophobicContact CD1-CB 3.93Å; L419-A423 HydrophobicContact CD2-CB 3.99Å; L419-A423 HydrophobicContact CG-CB 3.67Å; L419-D425 HydrophobicContact CD2-CB 4.02Å; L419-H426 VanDerWaalsContact CD2-CA 3.48Å; L419-H426 HydrophobicContact CD2-CB 3.8Å
420	P	85.9	Confident	85.3	Confident	50 Å²	50	68.7 Å²	68.7	33%	0.325	34%	0.34	S	S	.	.			trans	-54.8	148.6	175	-25.7	34.5	0	0	0	113.2	V255 D422 A423 H426	V255-P420 HydrophobicContact CG1-CG 4.24Å; P420-D422 WeakPolarHBondContact CB-OD1 3.31Å; P420-D422 PolarHBondContact O-N 3.05Å; P420-A423 HydrophobicContact CB-CB 4.2Å; P420-A423 VanDerWaalsContact O-CB 3.23Å; P420-A423 WeakPolarHBondContact O-CB 3.2Å; P420-A423 PolarHBondContact O-N 3.29Å; P420-A423 VanDerWaalsContact O-N 3.16Å; P420-H426 PolarHBondContact O-ND1 3.28Å
421	E	81.7	Confident	86.2	Confident	184 Å²	184	68.1 Å²	68.1	86%	0.86	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-25.9	179.9	-63.5	-175.5	172.7	0	0	112.9
422	D	84.6	Confident	86.9	Confident	145 Å²	145	67 Å²	67	78%	0.775	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-6.3	175.4	65.4	-43.2	0	0	0	113.5	P420	P420-D422 WeakPolarHBondContact CB-OD1 3.31Å; P420-D422 PolarHBondContact O-N 3.05Å
423	A	85.6	Confident	87.1	Confident	18 Å²	18	67.8 Å²	67.8	15%	0.149	33%	0.33	C	S	.	.			trans	-67	137.7	-179	0	0	0	0	0	111.7	L419 P420 D425 H426	L419-A423 HydrophobicContact CD1-CB 3.93Å; L419-A423 HydrophobicContact CD2-CB 3.99Å; L419-A423 HydrophobicContact CG-CB 3.67Å; P420-A423 HydrophobicContact CB-CB 4.2Å; P420-A423 VanDerWaalsContact O-CB 3.23Å; P420-A423 WeakPolarHBondContact O-CB 3.2Å; P420-A423 PolarHBondContact O-N 3.29Å; P420-A423 VanDerWaalsContact O-N 3.16Å; A423-D425 PolarHBondContact O-N 3.06Å; A423-D425 VanDerWaalsContact O-N 3.14Å; A423-H426 WeakPolarHBondContact O-CB 3.45Å; A423-H426 PolarHBondContact O-N 3.18Å; A423-H426 VanDerWaalsContact O-N 3.07Å
424	P	83.8	Confident	87.6	Confident	106 Å²	106	68.6 Å²	68.6	69%	0.688	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-28.8	-175.6	24.7	-34.6	0	0	0	113.1	H426	P424-H426 VanDerWaalsContact C-N 3.31Å; P424-H426 PolarHBondContact O-N 3.21Å
425	D	91.6	Very high	88.2	Confident	3 Å²	3	68.5 Å²	68.5	2%	0.016	34%	0.335	C	S	.	.	H	α-helix	trans	-78	-12.3	-179.1	-155.1	40.1	0	0	0	113.6	R337 I338 G339 D340 Y415 L419 A423 R427 D428 A429	R337-D425 HydrophobicContact CB-CB 3.78Å; R337-D425 VanDerWaalsContact CB-CG 3.49Å; I338-D425 PolarHBondContact N-OD2 2.87Å; G339-D425 WeakPolarHBondContact CA-OD1 3.33Å; G339-D425 VanDerWaalsContact N-CG 3.28Å; G339-D425 PolarHBondContact N-OD1 3.44Å; G339-D425 PolarHBondContact N-OD2 3.24Å; D340-D425 PolarHBondContact N-OD1 3.41Å; Y415-D425 WeakPolarHBondContact CE1-OD2 3.42Å; Y415-D425 PolarHBondContact OH-OD2 3.04Å; L419-D425 HydrophobicContact CD2-CB 4.02Å; A423-D425 PolarHBondContact O-N 3.06Å; A423-D425 VanDerWaalsContact O-N 3.14Å; D425-R427 VanDerWaalsContact C-N 3.33Å; D425-R427 PolarHBondContact O-N 3.25Å; D425-D428 PolarHBondContact O-N 3.45Å; D425-D428 VanDerWaalsContact O-N 3.12Å; D425-A429 VanDerWaalsContact O-CB 3.29Å; D425-A429 WeakPolarHBondContact O-CB 3.45Å; D425-A429 PolarHBondContact O-N 3.25Å
426	H	91.3	Very high	88.2	Confident	53 Å²	53	68.5 Å²	68.5	25%	0.245	34%	0.335	C	S	.	.	H	α-helix	trans	-62	-42.1	-173	-164.8	115.1	0	0	0	111.6	L419 P420 A423 P424 Q430	L419-H426 VanDerWaalsContact CD2-CA 3.48Å; L419-H426 HydrophobicContact CD2-CB 3.8Å; P420-H426 PolarHBondContact O-ND1 3.28Å; A423-H426 WeakPolarHBondContact O-CB 3.45Å; A423-H426 PolarHBondContact O-N 3.18Å; A423-H426 VanDerWaalsContact O-N 3.07Å; P424-H426 VanDerWaalsContact C-N 3.31Å; P424-H426 PolarHBondContact O-N 3.21Å; H426-Q430 VanDerWaalsContact O-CB 3.23Å; H426-Q430 WeakPolarHBondContact O-CB 3.3Å; H426-Q430 PolarHBondContact O-N 2.76Å
427	R	91.5	Very high	87.8	Confident	215 Å²	215	69.2 Å²	69.2	81%	0.811	34%	0.342	S	S	*	.	H	α-helix	trans	-65.9	-40.4	175.3	-66.6	-177.1	175.4	-134.6	-3.8	112.3	D425 K431	D425-R427 VanDerWaalsContact C-N 3.33Å; D425-R427 PolarHBondContact O-N 3.25Å; R427-K431 WeakPolarHBondContact O-CB 3.28Å; R427-K431 PolarHBondContact O-N 3.09Å; R427-K431 VanDerWaalsContact O-N 3.09Å
428	D	94.1	Very high	87.6	Confident	46 Å²	46	66.3 Å²	66.3	25%	0.246	33%	0.33	C	S	.	.	H	α-helix	trans	-76.5	-37	-175.2	-72.7	-24.4	0	0	0	111.9	Q343 D425 S432	Q343-D428 VanDerWaalsContact NE2-CA 3.34Å; Q343-D428 PolarHBondContact NE2-OD1 3.03Å; D425-D428 PolarHBondContact O-N 3.45Å; D425-D428 VanDerWaalsContact O-N 3.12Å; D428-S432 WeakPolarHBondContact O-CB 3.14Å; D428-S432 PolarHBondContact O-N 2.83Å; D428-S432 PolarHBondContact O-OG 3.21Å
429	A	92.4	Very high	87.1	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-66.6	-42.8	171	0	0	0	0	0	112.3	L412 Y415 L416 D425 S432 L433	L412-A429 HydrophobicContact CD1-CB 3.79Å; Y415-A429 HydrophobicContact CD1-CB 4.16Å; Y415-A429 HydrophobicContact CE1-CB 4.25Å; L416-A429 HydrophobicContact CD1-CB 4.46Å; L416-A429 HydrophobicContact CD2-CB 3.69Å; L416-A429 HydrophobicContact CG-CB 3.96Å; D425-A429 VanDerWaalsContact O-CB 3.29Å; D425-A429 WeakPolarHBondContact O-CB 3.45Å; D425-A429 PolarHBondContact O-N 3.25Å; A429-S432 WeakPolarHBondContact O-CB 3.39Å; A429-S432 PolarHBondContact O-N 3.02Å; A429-L433 PolarHBondContact O-N 2.95Å
430	Q	92.4	Very high	86.1	Confident	76 Å²	76	61 Å²	61	36%	0.355	31%	0.31	S	S	.	.	H	α-helix	trans	-60.9	-48.8	176.5	174.7	55.9	33.1	0	0	111.5	L416 H426 S432 L433 E434	L416-Q430 HydrophobicContact CD2-CB 4.27Å; H426-Q430 VanDerWaalsContact O-CB 3.23Å; H426-Q430 WeakPolarHBondContact O-CB 3.3Å; H426-Q430 PolarHBondContact O-N 2.76Å; Q430-S432 VanDerWaalsContact C-N 3.29Å; Q430-S432 PolarHBondContact O-N 3.42Å; Q430-L433 WeakPolarHBondContact O-CB 3.32Å; Q430-L433 PolarHBondContact O-N 3.09Å; Q430-L433 VanDerWaalsContact O-N 3.1Å; Q430-E434 PolarHBondContact NE2-OE1 3.23Å; Q430-E434 PolarHBondContact O-N 2.98Å
431	K	92.4	Very high	85.1	Confident	103 Å²	103	65.2 Å²	65.2	45%	0.448	33%	0.325	S	S	.	.	H	α-helix	trans	-65.6	-30.8	176.2	-175.6	174.1	166.4	-156.6	0	112.8	Q343 R427 L433 L435	Q343-K431 HydrophobicContact CG-CD 4.23Å; Q343-K431 HydrophobicContact CG-CG 4.25Å; R427-K431 WeakPolarHBondContact O-CB 3.28Å; R427-K431 PolarHBondContact O-N 3.09Å; R427-K431 VanDerWaalsContact O-N 3.09Å; K431-L433 VanDerWaalsContact C-N 3.35Å; K431-L435 VanDerWaalsContact O-CG 3.31Å; K431-L435 WeakPolarHBondContact O-CG 3.14Å; K431-L435 PolarHBondContact O-N 2.92Å
432	S	92.3	Very high	84	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-63.4	-41.2	171	-62.6	0	0	0	0	111.8	G339 Q343 D428 A429 Q430 L435 I436	G339-S432 PolarHBondContact O-OG 3.46Å; Q343-S432 WeakPolarHBondContact CA-OG 3.34Å; Q343-S432 WeakPolarHBondContact CB-OG 3.44Å; Q343-S432 PolarHBondContact N-OG 3.3Å; D428-S432 WeakPolarHBondContact O-CB 3.14Å; D428-S432 PolarHBondContact O-N 2.83Å; D428-S432 PolarHBondContact O-OG 3.21Å; A429-S432 WeakPolarHBondContact O-CB 3.39Å; A429-S432 PolarHBondContact O-N 3.02Å; Q430-S432 VanDerWaalsContact C-N 3.29Å; Q430-S432 PolarHBondContact O-N 3.42Å; S432-L435 PolarHBondContact O-N 3.38Å; S432-I436 WeakPolarHBondContact O-CB 3.14Å; S432-I436 WeakPolarHBondContact O-CD1 3.34Å; S432-I436 VanDerWaalsContact O-CG1 3.28Å; S432-I436 WeakPolarHBondContact O-CG1 3.45Å; S432-I436 PolarHBondContact O-N 3.06Å
433	L	87.9	Confident	82.8	Confident	19 Å²	19	57.3 Å²	57.3	10%	0.099	28%	0.284	C	S	.	.	H	α-helix	trans	-64.8	-42	-179.4	-177.6	62.4	0	0	0	111.5	E409 L412 K413 L416 A429 Q430 K431 I436 A437	E409-L433 HydrophobicContact CB-CD1 4.4Å; E409-L433 HydrophobicContact CG-CD1 3.66Å; L412-L433 HydrophobicContact CB-CD1 4.42Å; L412-L433 HydrophobicContact CD2-CB 3.78Å; L412-L433 HydrophobicContact CD2-CD1 4.3Å; L412-L433 HydrophobicContact CG-CB 4.23Å; L412-L433 HydrophobicContact CG-CD1 4.49Å; K413-L433 HydrophobicContact CD-CD1 4.42Å; K413-L433 HydrophobicContact CD-CD2 4.43Å; K413-L433 HydrophobicContact CG-CD1 3.92Å; K413-L433 HydrophobicContact CG-CD2 3.6Å; K413-L433 HydrophobicContact CG-CG 4.42Å; L416-L433 HydrophobicContact CD1-CB 4.3Å; L416-L433 HydrophobicContact CD1-CD2 3.88Å; A429-L433 PolarHBondContact O-N 2.95Å; Q430-L433 WeakPolarHBondContact O-CB 3.32Å; Q430-L433 PolarHBondContact O-N 3.09Å; Q430-L433 VanDerWaalsContact O-N 3.1Å; K431-L433 VanDerWaalsContact C-N 3.35Å; L433-I436 PolarHBondContact O-N 2.93Å; L433-A437 VanDerWaalsContact O-CB 3.31Å; L433-A437 WeakPolarHBondContact O-CB 3.42Å; L433-A437 PolarHBondContact O-N 3.42Å
434	E	89.1	Confident	81.3	Confident	102 Å²	102	59 Å²	59	48%	0.477	29%	0.291	S	S	.	.	H	α-helix	trans	-60.5	-43.7	174.5	-68.8	162	-163.1	0	0	112.1	Q430 T438	Q430-E434 PolarHBondContact NE2-OE1 3.23Å; Q430-E434 PolarHBondContact O-N 2.98Å; E434-T438 WeakPolarHBondContact O-CB 3.47Å; E434-T438 PolarHBondContact O-N 3.15Å; E434-T438 PolarHBondContact O-OG1 3.24Å
435	L	88.1	Confident	79.8	Confident	49 Å²	49	57.5 Å²	57.5	26%	0.257	29%	0.287	S	S	.	.	H	α-helix	trans	-65.9	-40.5	176.5	-69.7	168.2	0	0	0	112.5	Q343 A346 P347 K431 S432 A439	Q343-L435 HydrophobicContact CG-CD1 4.21Å; A346-L435 HydrophobicContact CB-CB 3.69Å; A346-L435 HydrophobicContact CB-CD1 4.35Å; P347-L435 HydrophobicContact CG-CD1 4.39Å; K431-L435 VanDerWaalsContact O-CG 3.31Å; K431-L435 WeakPolarHBondContact O-CG 3.14Å; K431-L435 PolarHBondContact O-N 2.92Å; S432-L435 PolarHBondContact O-N 3.38Å; L435-A439 PolarHBondContact O-N 3.21Å; L435-A439 VanDerWaalsContact O-N 3.15Å
436	I	85	Confident	77.9	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-67.1	-45.5	176.8	-71.1	159.8	0	0	0	110.7	A346 L349 E409 L412 S432 L433 T438 A439 A440	A346-I436 HydrophobicContact CB-CG1 3.93Å; L349-I436 HydrophobicContact CD1-CG1 3.93Å; E409-I436 HydrophobicContact CB-CG2 4.14Å; L412-I436 HydrophobicContact CD2-CD1 3.67Å; S432-I436 WeakPolarHBondContact O-CB 3.14Å; S432-I436 WeakPolarHBondContact O-CD1 3.34Å; S432-I436 VanDerWaalsContact O-CG1 3.28Å; S432-I436 WeakPolarHBondContact O-CG1 3.45Å; S432-I436 PolarHBondContact O-N 3.06Å; L433-I436 PolarHBondContact O-N 2.93Å; I436-T438 VanDerWaalsContact C-N 3.34Å; I436-T438 PolarHBondContact O-N 3.07Å; I436-A439 PolarHBondContact O-N 3.26Å; I436-A439 VanDerWaalsContact O-N 3.16Å; I436-A440 PolarHBondContact O-N 2.86Å
437	A	79.5	Confident	76.3	Confident	29 Å²	29	57.3 Å²	57.3	24%	0.24	29%	0.292	C	S	.	.	H	α-helix	trans	-59.6	-43.9	176.2	0	0	0	0	0	111.4	L433 A439 A440 E441	L433-A437 VanDerWaalsContact O-CB 3.31Å; L433-A437 WeakPolarHBondContact O-CB 3.42Å; L433-A437 PolarHBondContact O-N 3.42Å; A437-A439 VanDerWaalsContact C-N 3.31Å; A437-A439 PolarHBondContact O-N 2.87Å; A437-A440 WeakPolarHBondContact O-CB 3.18Å; A437-A440 PolarHBondContact O-N 3.47Å; A437-A440 VanDerWaalsContact O-N 3.12Å; A437-E441 WeakPolarHBondContact O-CG 3.37Å; A437-E441 PolarHBondContact O-N 3.01Å
438	T	79.9	Confident	74.8	Confident	75 Å²	75	54 Å²	54	46%	0.46	28%	0.28	S	S	.	.	H	α-helix	trans	-59.7	-38.8	175.7	-54.7	0	0	0	0	112.3	E434 I436 H442	E434-T438 WeakPolarHBondContact O-CB 3.47Å; E434-T438 PolarHBondContact O-N 3.15Å; E434-T438 PolarHBondContact O-OG1 3.24Å; I436-T438 VanDerWaalsContact C-N 3.34Å; I436-T438 PolarHBondContact O-N 3.07Å; T438-H442 PolarHBondContact O-N 2.76Å
439	A	72.9	Confident	72.8	Confident	2 Å²	2	55.5 Å²	55.5	2%	0.017	28%	0.284	C	S	.	.	H	α-helix	trans	-71.7	-33.7	175.8	0	0	0	0	0	112.8	L349 K350 L435 I436 A437 S443	L349-A439 HydrophobicContact CB-CB 4.17Å; K350-A439 HydrophobicContact CG-CB 4.31Å; L435-A439 PolarHBondContact O-N 3.21Å; L435-A439 VanDerWaalsContact O-N 3.15Å; I436-A439 PolarHBondContact O-N 3.26Å; I436-A439 VanDerWaalsContact O-N 3.16Å; A437-A439 VanDerWaalsContact C-N 3.31Å; A437-A439 PolarHBondContact O-N 2.87Å; A439-S443 PolarHBondContact O-OG 3.03Å
440	A	66.7	Low	71.1	Confident	4 Å²	4	56.3 Å²	56.3	3%	0.033	29%	0.288	C	S	.	.	H	α-helix	trans	-68.3	-40.8	173.3	0	0	0	0	0	112	I405 I436 A437 H442 S443 N444	I405-A440 HydrophobicContact CG2-CB 3.96Å; I436-A440 PolarHBondContact O-N 2.86Å; A437-A440 WeakPolarHBondContact O-CB 3.18Å; A437-A440 PolarHBondContact O-N 3.47Å; A437-A440 VanDerWaalsContact O-N 3.12Å; A440-H442 PolarHBondContact O-N 2.68Å; A440-S443 CarbonylContact O-C 3.55Å; A440-S443 WeakPolarHBondContact O-CA 3.46Å; A440-S443 WeakPolarHBondContact O-CB 3.47Å; A440-S443 PolarHBondContact O-N 3.25Å; A440-N444 WeakPolarHBondContact O-CB 3.48Å; A440-N444 VanDerWaalsContact O-CG 3.31Å; A440-N444 PolarHBondContact O-N 2.91Å
441	E	65.3	Low	69.6	Low	140 Å²	140	56.3 Å²	56.3	65%	0.654	29%	0.288	S	S	*	.	H	α-helix	trans	-61.1	-43.4	179.5	-77.5	-174.8	169.1	0	0	113.1	A437 S443 N444	A437-E441 WeakPolarHBondContact O-CG 3.37Å; A437-E441 PolarHBondContact O-N 3.01Å; E441-S443 PolarHBondContact O-N 2.98Å; E441-N444 PolarHBondContact O-N 3.44Å
442	H	57.7	Low	68.1	Low	155 Å²	155	56 Å²	56	72%	0.718	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-12.4	173.1	-168.4	-90.8	0	0	0	113.4	T438 A440	T438-H442 PolarHBondContact O-N 2.76Å; A440-H442 PolarHBondContact O-N 2.68Å
443	S	59.2	Low	66.5	Low	8 Å²	8	57.1 Å²	57.1	6%	0.056	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-8.6	-178.5	-53	0	0	0	0	113.3	A439 A440 E441 A445 A446 I447	A439-S443 PolarHBondContact O-OG 3.03Å; A440-S443 CarbonylContact O-C 3.55Å; A440-S443 WeakPolarHBondContact O-CA 3.46Å; A440-S443 WeakPolarHBondContact O-CB 3.47Å; A440-S443 PolarHBondContact O-N 3.25Å; E441-S443 PolarHBondContact O-N 2.98Å; S443-A445 PolarHBondContact O-N 2.8Å; S443-A446 PolarHBondContact O-N 3.17Å; S443-I447 WeakPolarHBondContact O-CG1 2.89Å; S443-I447 PolarHBondContact O-N 3.2Å
444	N	53.6	Low	65.1	Low	53 Å²	53	60.8 Å²	60.8	28%	0.283	30%	0.302	S	S	.	.	H	α-helix	trans	-69.1	-26.8	-155.5	-109.6	-24.1	0	0	0	115.8	A440 E441 R448	A440-N444 WeakPolarHBondContact O-CB 3.48Å; A440-N444 VanDerWaalsContact O-CG 3.31Å; A440-N444 PolarHBondContact O-N 2.91Å; E441-N444 PolarHBondContact O-N 3.44Å; N444-R448 WeakPolarHBondContact O-CG 3.46Å; N444-R448 PolarHBondContact O-N 2.92Å; N444-R448 VanDerWaalsContact O-N 3.15Å
445	A	53.6	Low	64.1	Low	74 Å²	74	59.7 Å²	59.7	61%	0.612	30%	0.296	S	S	*	.	H	α-helix	trans	-65.5	-43.4	-179.6	0	0	0	0	0	112.4	S443 K449	S443-A445 PolarHBondContact O-N 2.8Å; A445-K449 PolarHBondContact O-N 2.61Å
446	A	51.7	Low	63.1	Low	31 Å²	31	57.4 Å²	57.4	26%	0.256	28%	0.284	S	S	.	.	H	α-helix	trans	-83.5	-27.5	178.3	0	0	0	0	0	112.4	V356 S443 R448 K449 M450	V356-A446 HydrophobicContact CG1-CB 3.44Å; V356-A446 VanDerWaalsContact CG1-CB 3.44Å; S443-A446 PolarHBondContact O-N 3.17Å; A446-R448 VanDerWaalsContact C-N 3.28Å; A446-R448 PolarHBondContact O-N 3.3Å; A446-K449 PolarHBondContact O-N 3.41Å; A446-K449 VanDerWaalsContact O-N 3.12Å; A446-M450 WeakPolarHBondContact O-CB 3.41Å; A446-M450 PolarHBondContact O-N 3.04Å
447	I	56.5	Low	61.8	Low	22 Å²	22	57.8 Å²	57.8	11%	0.113	29%	0.286	C	S	.	.	H	α-helix	trans	-55.1	-44.9	166.5	-68	171.1	0	0	0	110.6	V402 S443 K449 M450 E451	V402-I447 HydrophobicContact CG1-CG1 3.76Å; S443-I447 WeakPolarHBondContact O-CG1 2.89Å; S443-I447 PolarHBondContact O-N 3.2Å; I447-K449 PolarHBondContact O-N 3.39Å; I447-M450 WeakPolarHBondContact O-CB 3.38Å; I447-M450 PolarHBondContact O-N 2.91Å; I447-E451 PolarHBondContact O-N 3.01Å
448	R	61.3	Low	61.2	Low	146 Å²	146	60.7 Å²	60.7	55%	0.551	29%	0.293	S	S	*	.	H	α-helix	trans	-64.8	-33.5	176	-72.7	-173.3	-66.4	-97.2	6.2	113.9	N444 A446 R452	N444-R448 WeakPolarHBondContact O-CG 3.46Å; N444-R448 PolarHBondContact O-N 2.92Å; N444-R448 VanDerWaalsContact O-N 3.15Å; A446-R448 VanDerWaalsContact C-N 3.28Å; A446-R448 PolarHBondContact O-N 3.3Å; R448-R452 PolarHBondContact O-NH1 3.3Å
449	K	52.3	Low	60.8	Low	77 Å²	77	57.1 Å²	57.1	34%	0.335	27%	0.271	S	S	.	.	H	α-helix	trans	-69.3	-41.3	172.4	-174.4	175.4	177.7	-177.5	0	110.9	D360 A445 A446 I447 E451 R452 M453	D360-K449 WeakPolarHBondContact OD1-CE 3.41Å; D360-K449 IonicContact OD1-NZ 2.62Å; D360-K449 PolarHBondContact OD1-NZ 3.46Å; D360-K449 IonicContact OD2-NZ 2.96Å; D360-K449 PolarHBondContact OD2-NZ 3.18Å; A445-K449 PolarHBondContact O-N 2.61Å; A446-K449 PolarHBondContact O-N 3.41Å; A446-K449 VanDerWaalsContact O-N 3.12Å; I447-K449 PolarHBondContact O-N 3.39Å; K449-E451 PolarHBondContact O-N 2.84Å; K449-R452 WeakPolarHBondContact O-CB 3.33Å; K449-R452 PolarHBondContact O-N 3.35Å; K449-M453 PolarHBondContact O-N 3.4Å
450	M	55.4	Low	60.2	Low	16 Å²	16	59.8 Å²	59.8	8%	0.079	28%	0.281	C	S	.	.	H	α-helix	trans	-67	-33.6	178.5	-163.8	-163.1	63.9	0	0	112.8	L399 V402 Q403 A446 I447 R452 M453 R454	L399-M450 HydrophobicContact CB-SD 3.96Å; L399-M450 HydrophobicContact CD2-CG 3.31Å; L399-M450 HydrophobicContact CD2-SD 3.6Å; L399-M450 VanDerWaalsContact CD2-SD 3.6Å; L399-M450 HydrophobicContact CG-SD 4.39Å; V402-M450 HydrophobicContact CB-CE 3.75Å; V402-M450 HydrophobicContact CB-SD 3.42Å; V402-M450 WeakPolarHBondContact CB-SD 3.12Å; V402-M450 HydrophobicContact CG1-CE 3.58Å; V402-M450 HydrophobicContact CG1-SD 3.55Å; V402-M450 VanDerWaalsContact CG1-SD 3.55Å; V402-M450 HydrophobicContact CG2-SD 4.08Å; Q403-M450 HydrophobicContact CG-CE 3.66Å; A446-M450 WeakPolarHBondContact O-CB 3.41Å; A446-M450 PolarHBondContact O-N 3.04Å; I447-M450 WeakPolarHBondContact O-CB 3.38Å; I447-M450 PolarHBondContact O-N 2.91Å; M450-R452 PolarHBondContact O-N 3.26Å; M450-M453 CarbonylContact O-C 3.54Å; M450-M453 WeakPolarHBondContact O-CA 3.3Å; M450-M453 WeakPolarHBondContact O-CB 3.18Å; M450-M453 PolarHBondContact O-N 3.08Å; M450-M453 VanDerWaalsContact O-N 3.09Å; M450-R454 PolarHBondContact O-N 2.85Å
451	E	61.2	Low	60	Low	76 Å²	76	64.1 Å²	64.1	36%	0.355	30%	0.301	S	S	.	.	H	α-helix	trans	-63.7	-28.7	176.4	-147.1	-121.6	149	0	0	112.2	I447 K449 R454 K455	I447-E451 PolarHBondContact O-N 3.01Å; K449-E451 PolarHBondContact O-N 2.84Å; E451-R454 PolarHBondContact O-N 3.26Å; E451-R454 IonicContact OE1-CZ 3.02Å; E451-R454 IonicContact OE1-NH2 2.74Å; E451-R454 PolarHBondContact OE1-NH2 3.41Å; E451-K455 WeakPolarHBondContact O-CG 3.02Å; E451-K455 PolarHBondContact O-N 3.44Å; E451-K455 VanDerWaalsContact O-N 3.08Å; E451-K455 WeakPolarHBondContact OE1-CE 3.42Å; E451-K455 IonicContact OE1-NZ 2.9Å; E451-K455 PolarHBondContact OE1-NZ 3.15Å; E451-K455 IonicContact OE2-NZ 3.23Å; E451-K455 PolarHBondContact OE2-NZ 3.46Å
452	R	62	Low	60.2	Low	97 Å²	97	58.6 Å²	58.6	37%	0.366	28%	0.275	S	S	.	.	H	α-helix	trans	-69.9	-43.8	171.2	-56.1	-166.1	-68.6	-89.2	18.3	111.6	R448 K449 M450 R454 K455 L456 E475	R448-R452 PolarHBondContact O-NH1 3.3Å; K449-R452 WeakPolarHBondContact O-CB 3.33Å; K449-R452 PolarHBondContact O-N 3.35Å; M450-R452 PolarHBondContact O-N 3.26Å; R452-R454 VanDerWaalsContact C-N 3.32Å; R452-R454 PolarHBondContact O-N 3.45Å; R452-K455 WeakPolarHBondContact O-CB 3.5Å; R452-K455 PolarHBondContact O-N 2.98Å; R452-L456 WeakPolarHBondContact O-CB 3.43Å; R452-L456 PolarHBondContact O-N 3.4Å; R452-E475 WeakPolarHBondContact CD-OE1 3.37Å; R452-E475 IonicContact CZ-OE1 3.19Å; R452-E475 IonicContact NE-OE1 3.69Å; R452-E475 PolarHBondContact NE-OE1 3.12Å
453	M	56.8	Low	60.7	Low	24 Å²	24	51.3 Å²	51.3	12%	0.118	24%	0.242	C	C	.	.	H	α-helix	trans	-59.1	-41.5	171.3	-174.9	59.4	67.1	0	0	111.6	L399 K449 M450 K455 L456 L457 V470 P472	L399-M453 HydrophobicContact CD1-CG 4.23Å; L399-M453 HydrophobicContact CD2-CG 4.15Å; K449-M453 PolarHBondContact O-N 3.4Å; M450-M453 CarbonylContact O-C 3.54Å; M450-M453 WeakPolarHBondContact O-CA 3.3Å; M450-M453 WeakPolarHBondContact O-CB 3.18Å; M450-M453 PolarHBondContact O-N 3.08Å; M450-M453 VanDerWaalsContact O-N 3.09Å; M453-K455 PolarHBondContact O-N 3.09Å; M453-L456 HydrophobicContact CE-CD2 4.29Å; M453-L456 VanDerWaalsContact O-CB 3.31Å; M453-L456 WeakPolarHBondContact O-CB 3.36Å; M453-L456 PolarHBondContact O-N 3.1Å; M453-L456 HydrophobicContact SD-CD2 3.91Å; M453-L457 WeakPolarHBondContact O-CG 3.31Å; M453-L457 PolarHBondContact O-N 3.22Å; M453-L457 HydrophobicContact SD-CG 4.46Å; M453-V470 HydrophobicContact SD-CG1 4.15Å; M453-P472 HydrophobicContact CE-CG 4.47Å
454	R	60.3	Low	60.6	Low	96 Å²	96	52.7 Å²	52.7	36%	0.362	26%	0.257	S	S	.	.	H	α-helix	trans	-61.2	-40.2	175.2	-171.8	-170	67	83.1	-2.5	112.4	M450 E451 R452 L457 K458	M450-R454 PolarHBondContact O-N 2.85Å; E451-R454 PolarHBondContact O-N 3.26Å; E451-R454 IonicContact OE1-CZ 3.02Å; E451-R454 IonicContact OE1-NH2 2.74Å; E451-R454 PolarHBondContact OE1-NH2 3.41Å; R452-R454 VanDerWaalsContact C-N 3.32Å; R452-R454 PolarHBondContact O-N 3.45Å; R454-L457 PolarHBondContact O-N 3.46Å; R454-K458 PolarHBondContact O-N 2.87Å
455	K	67.3	Low	60.5	Low	79 Å²	79	51.6 Å²	51.6	34%	0.343	26%	0.259	S	S	.	.	H	α-helix	trans	-64	-43.6	173.4	-72.5	168.5	-174.1	160.7	0	111.2	E451 R452 M453 L457 K458 V459 L476	E451-K455 WeakPolarHBondContact O-CG 3.02Å; E451-K455 PolarHBondContact O-N 3.44Å; E451-K455 VanDerWaalsContact O-N 3.08Å; E451-K455 WeakPolarHBondContact OE1-CE 3.42Å; E451-K455 IonicContact OE1-NZ 2.9Å; E451-K455 PolarHBondContact OE1-NZ 3.15Å; E451-K455 IonicContact OE2-NZ 3.23Å; E451-K455 PolarHBondContact OE2-NZ 3.46Å; R452-K455 WeakPolarHBondContact O-CB 3.5Å; R452-K455 PolarHBondContact O-N 2.98Å; M453-K455 PolarHBondContact O-N 3.09Å; K455-L457 PolarHBondContact O-N 3.12Å; K455-K458 PolarHBondContact O-N 3.07Å; K455-V459 WeakPolarHBondContact O-CG2 3.45Å; K455-V459 PolarHBondContact O-N 3.06Å; K455-V459 VanDerWaalsContact O-N 3.14Å; K455-L476 HydrophobicContact CB-CD2 4.03Å
456	L	66.1	Low	60.1	Low	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59	-42.9	175.9	-168.9	62.9	0	0	0	112.3	R452 M453 V459 Y460 I469 N474 F500	R452-L456 WeakPolarHBondContact O-CB 3.43Å; R452-L456 PolarHBondContact O-N 3.4Å; M453-L456 HydrophobicContact CE-CD2 4.29Å; M453-L456 VanDerWaalsContact O-CB 3.31Å; M453-L456 WeakPolarHBondContact O-CB 3.36Å; M453-L456 PolarHBondContact O-N 3.1Å; M453-L456 HydrophobicContact SD-CD2 3.91Å; L456-V459 WeakPolarHBondContact O-CB 3.09Å; L456-V459 PolarHBondContact O-N 3.1Å; L456-Y460 PolarHBondContact O-N 2.92Å; L456-I469 HydrophobicContact CD1-CB 4.21Å; L456-I469 HydrophobicContact CD1-CD1 4.21Å; L456-I469 HydrophobicContact CD1-CG1 4.31Å; L456-I469 WeakPolarHBondContact CD1-O 3.39Å; L456-I469 VanDerWaalsContact CD2-O 3.31Å; L456-I469 WeakPolarHBondContact CD2-O 3.38Å; L456-I469 WeakPolarHBondContact CG-O 3.31Å; L456-N474 HydrophobicContact CD1-CB 3.98Å; L456-N474 HydrophobicContact CD2-CB 3.93Å; L456-F500 HydrophobicContact CD1-CD1 3.98Å; L456-F500 HydrophobicContact CD1-CE1 3.31Å; L456-F500 HydrophobicContact CD1-CZ 3.96Å
457	L	58.2	Low	60.1	Low	10 Å²	10	53.1 Å²	53.1	5%	0.052	25%	0.248	C	C	.	.	H	α-helix	trans	-71.7	-38.4	177.5	-65.8	-174.1	0	0	0	113.7	H396 L399 M453 R454 K455 V459 Y460 E461 V470	H396-L457 HydrophobicContact CB-CD1 4.31Å; H396-L457 VanDerWaalsContact CE1-CD2 3.48Å; H396-L457 WeakPolarHBondContact CE1-CD2 3.28Å; L399-L457 HydrophobicContact CD1-CD1 3.26Å; M453-L457 WeakPolarHBondContact O-CG 3.31Å; M453-L457 PolarHBondContact O-N 3.22Å; M453-L457 HydrophobicContact SD-CG 4.46Å; R454-L457 PolarHBondContact O-N 3.46Å; K455-L457 PolarHBondContact O-N 3.12Å; L457-V459 PolarHBondContact O-N 3.43Å; L457-Y460 WeakPolarHBondContact O-CA 3.47Å; L457-Y460 WeakPolarHBondContact O-CB 3.47Å; L457-Y460 PolarHBondContact O-N 3.48Å; L457-E461 PolarHBondContact O-N 3.18Å; L457-V470 HydrophobicContact CD2-CB 4.22Å; L457-V470 HydrophobicContact CD2-CG1 3.44Å; L457-V470 VanDerWaalsContact CD2-CG1 3.44Å; L457-V470 HydrophobicContact CD2-CG2 3.65Å
458	K	67.4	Low	59.9	Low	90 Å²	90	58.1 Å²	58.1	39%	0.391	28%	0.275	S	S	.	.	H	α-helix	trans	-55.3	-39	169.7	179.6	-157.3	166.9	-154	0	110.9	R454 K455 L462 E479	R454-K458 PolarHBondContact O-N 2.87Å; K455-K458 PolarHBondContact O-N 3.07Å; K458-L462 HydrophobicContact CG-CD1 4.45Å; K458-L462 VanDerWaalsContact O-CG 3.26Å; K458-L462 WeakPolarHBondContact O-CG 3.31Å; K458-L462 PolarHBondContact O-N 2.98Å; K458-E479 IonicContact NZ-OE1 3.51Å; K458-E479 PolarHBondContact NZ-OE1 3.34Å; K458-E479 IonicContact NZ-OE2 3.48Å
459	V	71.5	Confident	59.9	Low	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68.5	-39.5	174.2	177.3	0	0	0	0	111.8	K455 L456 L457 E461 L462 L463 I469 L476 E479 I498 F500	K455-V459 WeakPolarHBondContact O-CG2 3.45Å; K455-V459 PolarHBondContact O-N 3.06Å; K455-V459 VanDerWaalsContact O-N 3.14Å; L456-V459 WeakPolarHBondContact O-CB 3.09Å; L456-V459 PolarHBondContact O-N 3.1Å; L457-V459 PolarHBondContact O-N 3.43Å; V459-E461 VanDerWaalsContact C-N 3.33Å; V459-E461 PolarHBondContact O-N 3.18Å; V459-L462 PolarHBondContact O-N 3.25Å; V459-L463 HydrophobicContact CG1-CD1 3.87Å; V459-L463 HydrophobicContact CG1-CG 4.18Å; V459-L463 WeakPolarHBondContact O-CB 3.33Å; V459-L463 WeakPolarHBondContact O-CG 3.35Å; V459-L463 PolarHBondContact O-N 2.98Å; V459-I469 HydrophobicContact CB-CD1 3.94Å; V459-I469 HydrophobicContact CG1-CD1 3.66Å; V459-L476 HydrophobicContact CG2-CD1 4.44Å; V459-L476 HydrophobicContact CG2-CD2 3.98Å; V459-E479 WeakPolarHBondContact CG2-OE2 3.43Å; V459-I498 HydrophobicContact CG1-CD1 3.67Å; V459-I498 HydrophobicContact CG1-CG1 4.43Å; V459-I498 HydrophobicContact CG1-CG2 4.03Å; V459-I498 HydrophobicContact CG2-CG2 4.42Å; V459-F500 HydrophobicContact CG1-CZ 4.07Å
460	Y	60.5	Low	59.7	Low	58 Å²	58	48.6 Å²	48.6	23%	0.227	24%	0.239	C	C	.	.	H	α-helix	trans	-59.8	-42.2	176.8	179.9	-99.2	0	0	0	111.7	H396 L456 L457 L463 G464 G465 E467 I469 V470	H396-Y460 AromaticContact NE2-CD1 3.85Å; L456-Y460 PolarHBondContact O-N 2.92Å; L457-Y460 WeakPolarHBondContact O-CA 3.47Å; L457-Y460 WeakPolarHBondContact O-CB 3.47Å; L457-Y460 PolarHBondContact O-N 3.48Å; Y460-L463 PolarHBondContact O-N 3.13Å; Y460-G464 PolarHBondContact O-N 3.01Å; Y460-G465 PolarHBondContact O-N 3.36Å; Y460-E467 VanDerWaalsContact CD2-O 3.3Å; Y460-E467 WeakPolarHBondContact CD2-O 3.3Å; Y460-E467 WeakPolarHBondContact CE2-O 3.48Å; Y460-I469 HydrophobicContact CD2-CG1 4.21Å; Y460-V470 HydrophobicContact CD2-CG2 3.65Å; Y460-V470 HydrophobicContact CE2-CG2 4.08Å; Y460-V470 HydrophobicContact CG-CG2 3.91Å
461	E	62.2	Low	59.5	Low	94 Å²	94	51 Å²	51	44%	0.439	25%	0.252	S	S	.	.	H	α-helix	trans	-62.1	-47.7	171	-68.3	176.1	172.6	0	0	112.3	L457 V459 L463 G464	L457-E461 PolarHBondContact O-N 3.18Å; V459-E461 VanDerWaalsContact C-N 3.33Å; V459-E461 PolarHBondContact O-N 3.18Å; E461-L463 PolarHBondContact O-N 3.31Å; E461-G464 WeakPolarHBondContact O-CA 3.4Å; E461-G464 PolarHBondContact O-N 3.36Å
462	L	69.7	Low	58.5	Low	24 Å²	24	50 Å²	50	13%	0.126	25%	0.252	C	S	.	.	H	α-helix	trans	-59.2	-35.2	178.6	-76.2	171.4	0	0	0	112.9	K458 V459 G464 K517 Y518	K458-L462 HydrophobicContact CG-CD1 4.45Å; K458-L462 VanDerWaalsContact O-CG 3.26Å; K458-L462 WeakPolarHBondContact O-CG 3.31Å; K458-L462 PolarHBondContact O-N 2.98Å; V459-L462 PolarHBondContact O-N 3.25Å; L462-G464 VanDerWaalsContact C-N 3.35Å; L462-K517 HydrophobicContact CD2-CB 4.13Å; L462-K517 HydrophobicContact CD2-CD 3.75Å; L462-K517 HydrophobicContact CD2-CG 4.14Å; L462-K517 PolarHBondContact O-N 3.43Å; L462-Y518 HydrophobicContact CB-CD2 4.41Å; L462-Y518 HydrophobicContact CD2-CD2 4.47Å; L462-Y518 HydrophobicContact CD2-CE2 4.46Å; L462-Y518 PolarHBondContact O-N 3.5Å
463	L	68	Low	58.1	Low	2 Å²	2	49.7 Å²	49.7	1%	0.01	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-6.2	174.9	-63.1	179	0	0	0	113.4	V459 Y460 E461 E467 I469 I498 L505 Q516 V520	V459-L463 HydrophobicContact CG1-CD1 3.87Å; V459-L463 HydrophobicContact CG1-CG 4.18Å; V459-L463 WeakPolarHBondContact O-CB 3.33Å; V459-L463 WeakPolarHBondContact O-CG 3.35Å; V459-L463 PolarHBondContact O-N 2.98Å; Y460-L463 PolarHBondContact O-N 3.13Å; E461-L463 PolarHBondContact O-N 3.31Å; L463-E467 HydrophobicContact CD1-CB 4.3Å; L463-E467 HydrophobicContact CD1-CG 4.33Å; L463-I469 HydrophobicContact CD1-CD1 4.41Å; L463-I498 HydrophobicContact CD1-CD1 4.21Å; L463-I498 HydrophobicContact CD2-CD1 4.05Å; L463-I498 HydrophobicContact CG-CD1 4.33Å; L463-L505 HydrophobicContact CD1-CD1 3.84Å; L463-Q516 PolarHBondContact O-NE2 2.99Å; L463-V520 HydrophobicContact CD1-CG2 4.07Å; L463-V520 HydrophobicContact CD2-CG2 3.94Å
464	G	56.4	Low	58.5	Low	37 Å²	37	49 Å²	49	38%	0.381	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	24.2	175.4	0	0	0	0	0	115.4	Y460 E461 L462 E466	Y460-G464 PolarHBondContact O-N 3.01Å; E461-G464 WeakPolarHBondContact O-CA 3.4Å; E461-G464 PolarHBondContact O-N 3.36Å; L462-G464 VanDerWaalsContact C-N 3.35Å; G464-E466 PolarHBondContact O-N 3.2Å
465	G	52.4	Low	59.3	Low	31 Å²	31	48 Å²	48	32%	0.32	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	11.5	177.9	0	0	0	0	0	116.1	Y460 E467	Y460-G465 PolarHBondContact O-N 3.36Å; G465-E467 PolarHBondContact O-N 3.17Å
466	E	44.2	Very low	60.1	Low	114 Å²	114	45.7 Å²	45.7	53%	0.533	25%	0.249	S	C	.	.			trans	-77.5	-5	177	-72.5	172.1	-157.1	0	0	113.2	G464 K510 Q516	G464-E466 PolarHBondContact O-N 3.2Å; E466-K510 IonicContact OE1-NZ 3.57Å; E466-K510 PolarHBondContact OE1-NZ 3.07Å; E466-K510 IonicContact OE2-NZ 2.68Å; E466-K510 PolarHBondContact OE2-NZ 2.81Å; E466-Q516 PolarHBondContact OE1-NE2 3.13Å; E466-Q516 PolarHBondContact OE1-OE1 2.97Å; E466-Q516 PolarHBondContact OE2-NE2 3.34Å
467	E	53.2	Low	61.1	Low	22 Å²	22	48.5 Å²	48.5	10%	0.103	26%	0.264	C	S	.	.	S	Bend	trans	-134.1	123.8	-166.9	-73.3	-75.6	-175.9	0	0	112.2	Y460 L463 G465 I469 V520 R523	Y460-E467 VanDerWaalsContact CD2-O 3.3Å; Y460-E467 WeakPolarHBondContact CD2-O 3.3Å; Y460-E467 WeakPolarHBondContact CE2-O 3.48Å; L463-E467 HydrophobicContact CD1-CB 4.3Å; L463-E467 HydrophobicContact CD1-CG 4.33Å; G465-E467 PolarHBondContact O-N 3.17Å; E467-I469 HydrophobicContact CB-CG2 4.41Å; E467-I469 PolarHBondContact O-N 3.38Å; E467-V520 HydrophobicContact CG-CB 4.41Å; E467-V520 HydrophobicContact CG-CG2 3.68Å; E467-V520 VanDerWaalsContact OE1-CB 3.22Å; E467-V520 WeakPolarHBondContact OE1-CB 3.4Å; E467-V520 WeakPolarHBondContact OE1-CG2 3.22Å; E467-R523 IonicContact OE1-CZ 2.88Å; E467-R523 VanDerWaalsContact OE1-CZ 3.25Å; E467-R523 IonicContact OE1-NE 3.21Å; E467-R523 PolarHBondContact OE1-NE 2.88Å; E467-R523 IonicContact OE1-NH2 2.69Å; E467-R523 PolarHBondContact OE1-NH2 2.95Å; E467-R523 IonicContact OE2-CZ 2.83Å; E467-R523 IonicContact OE2-NE 3.79Å; E467-R523 PolarHBondContact OE2-NE 3.49Å; E467-R523 IonicContact OE2-NH2 2.7Å; E467-R523 PolarHBondContact OE2-NH2 3.05Å
468	D	51.6	Low	62.7	Low	128 Å²	128	50.4 Å²	50.4	68%	0.684	27%	0.272	S	S	*	.			trans	-79	92.9	173.3	-172.7	13.9	0	0	0	111.2	V470 R503	D468-V470 PolarHBondContact OD1-N 2.97Å; D468-R503 PolarHBondContact O-NH1 3.48Å
469	I	61	Low	63.8	Low	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.266	C	S	.	.			trans	-112.1	-2.3	171.6	61.5	170.9	0	0	0	112.4	L456 V459 Y460 L463 E467 N471 N474 F500 L505	L456-I469 HydrophobicContact CD1-CB 4.21Å; L456-I469 HydrophobicContact CD1-CD1 4.21Å; L456-I469 HydrophobicContact CD1-CG1 4.31Å; L456-I469 WeakPolarHBondContact CD1-O 3.39Å; L456-I469 VanDerWaalsContact CD2-O 3.31Å; L456-I469 WeakPolarHBondContact CD2-O 3.38Å; L456-I469 WeakPolarHBondContact CG-O 3.31Å; V459-I469 HydrophobicContact CB-CD1 3.94Å; V459-I469 HydrophobicContact CG1-CD1 3.66Å; Y460-I469 HydrophobicContact CD2-CG1 4.21Å; L463-I469 HydrophobicContact CD1-CD1 4.41Å; E467-I469 HydrophobicContact CB-CG2 4.41Å; E467-I469 PolarHBondContact O-N 3.38Å; I469-N471 PolarHBondContact O-N 2.81Å; I469-N474 PolarHBondContact O-ND2 3.12Å; I469-F500 HydrophobicContact CB-CZ 4.47Å; I469-F500 HydrophobicContact CD1-CZ 3.95Å; I469-F500 HydrophobicContact CG2-CE2 4.22Å; I469-F500 HydrophobicContact CG2-CZ 4.43Å; I469-L505 HydrophobicContact CG2-CD1 4.26Å
470	V	48.8	Very low	64.7	Low	22 Å²	22	49.6 Å²	49.6	13%	0.133	27%	0.273	C	S	.	.			trans	-88.9	55.8	-167.2	-168	0	0	0	0	111.6	M363 M453 L457 Y460 D468	M363-V470 HydrophobicContact CE-CG1 4.41Å; M453-V470 HydrophobicContact SD-CG1 4.15Å; L457-V470 HydrophobicContact CD2-CB 4.22Å; L457-V470 HydrophobicContact CD2-CG1 3.44Å; L457-V470 VanDerWaalsContact CD2-CG1 3.44Å; L457-V470 HydrophobicContact CD2-CG2 3.65Å; Y460-V470 HydrophobicContact CD2-CG2 3.65Å; Y460-V470 HydrophobicContact CE2-CG2 4.08Å; Y460-V470 HydrophobicContact CG-CG2 3.91Å; D468-V470 PolarHBondContact OD1-N 2.97Å
471	N	49.8	Very low	66.1	Low	66 Å²	66	49.7 Å²	49.7	35%	0.353	28%	0.275	S	S	.	.			trans	-104	133	177.6	-177.4	-16.3	0	0	0	110.2	I469 T473 N474	I469-N471 PolarHBondContact O-N 2.81Å; N471-T473 PolarHBondContact ND2-OG1 3.21Å; N471-T473 VanDerWaalsContact ND2-OG1 3.09Å; N471-T473 PolarHBondContact O-N 3.33Å; N471-T473 PolarHBondContact OD1-N 3.47Å; N471-T473 PolarHBondContact OD1-OG1 3.23Å; N471-T473 VanDerWaalsContact OD1-OG1 3.09Å; N471-N474 HydrophobicContact CB-CB 4.44Å; N471-N474 WeakPolarHBondContact O-CB 3.17Å; N471-N474 PolarHBondContact O-N 3.19Å
472	P	40.9	Very low	67.5	Low	55 Å²	55	45.2 Å²	45.2	36%	0.357	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-19.2	171.1	-30	37.2	0	0	0	116.5	M363 M453	M363-P472 HydrophobicContact CE-CG 4.5Å; M363-P472 HydrophobicContact CG-CG 3.82Å; M453-P472 HydrophobicContact CE-CG 4.47Å
473	T	54.2	Low	68.3	Low	92 Å²	92	45.7 Å²	45.7	56%	0.564	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-11.9	174.1	63.7	0	0	0	0	114.4	N471 N501	N471-T473 PolarHBondContact ND2-OG1 3.21Å; N471-T473 VanDerWaalsContact ND2-OG1 3.09Å; N471-T473 PolarHBondContact O-N 3.33Å; N471-T473 PolarHBondContact OD1-N 3.47Å; N471-T473 PolarHBondContact OD1-OG1 3.23Å; N471-T473 VanDerWaalsContact OD1-OG1 3.09Å; T473-N501 PolarHBondContact O-ND2 3.09Å
474	N	64.6	Low	69.1	Low	10 Å²	10	47.4 Å²	47.4	5%	0.053	27%	0.265	C	S	.	.			trans	-84.5	125.7	-175.6	-70.9	6	0	0	0	110.9	L456 I469 N471 N501 R503	L456-N474 HydrophobicContact CD1-CB 3.98Å; L456-N474 HydrophobicContact CD2-CB 3.93Å; I469-N474 PolarHBondContact O-ND2 3.12Å; N471-N474 HydrophobicContact CB-CB 4.44Å; N471-N474 WeakPolarHBondContact O-CB 3.17Å; N471-N474 PolarHBondContact O-N 3.19Å; N474-N501 WeakPolarHBondContact CA-OD1 3.44Å; N474-R503 PolarHBondContact ND2-NH2 3.33Å; N474-R503 VanDerWaalsContact ND2-NH2 3.19Å
475	E	77.3	Confident	70	Confident	74 Å²	74	47 Å²	47	35%	0.346	25%	0.253	S	S	.	.			trans	-121.2	122.6	178.5	-177.6	164.1	-138.3	0	0	110.1	R452 I477 F500 N501	R452-E475 WeakPolarHBondContact CD-OE1 3.37Å; R452-E475 IonicContact CZ-OE1 3.19Å; R452-E475 IonicContact NE-OE1 3.69Å; R452-E475 PolarHBondContact NE-OE1 3.12Å; E475-I477 HydrophobicContact CG-CD1 4.17Å; E475-I477 PolarHBondContact O-N 3.15Å; E475-F500 CarbonylContact O-C 3.35Å; E475-F500 VanDerWaalsContact O-CA 3.25Å; E475-F500 WeakPolarHBondContact O-CA 3.25Å; E475-N501 HydrophobicContact CB-CB 4.31Å; E475-N501 PolarHBondContact N-OD1 3.49Å; E475-N501 PolarHBondContact O-N 2.86Å
476	L	83.6	Confident	70.7	Confident	30 Å²	30	46.5 Å²	46.5	16%	0.157	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	115.1	174.5	179.7	67	0	0	0	109.7	K455 V459 E479 I498 F500	K455-L476 HydrophobicContact CB-CD2 4.03Å; V459-L476 HydrophobicContact CG2-CD1 4.44Å; V459-L476 HydrophobicContact CG2-CD2 3.98Å; L476-E479 HydrophobicContact CD1-CB 4.46Å; L476-E479 HydrophobicContact CD2-CG 4.44Å; L476-I498 HydrophobicContact CD1-CG2 3.44Å; L476-I498 VanDerWaalsContact CD1-CG2 3.44Å; L476-F500 HydrophobicContact CB-CD1 4.18Å; L476-F500 HydrophobicContact CB-CE1 3.99Å; L476-F500 HydrophobicContact CD1-CD1 4.15Å; L476-F500 HydrophobicContact CD1-CE1 3.75Å; L476-F500 HydrophobicContact CD1-CZ 4.22Å; L476-F500 HydrophobicContact CG-CE1 4.47Å
477	I	88.3	Confident	71.6	Confident	59 Å²	59	47.4 Å²	47.4	30%	0.303	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-49.4	-179.3	-51.1	-60	0	0	0	111	E475 L499 N501 T573	E475-I477 HydrophobicContact CG-CD1 4.17Å; E475-I477 PolarHBondContact O-N 3.15Å; I477-L499 HydrophobicContact CB-CB 4.48Å; I477-L499 HydrophobicContact CB-CD2 4.08Å; I477-L499 HydrophobicContact CB-CG 4.04Å; I477-L499 WeakPolarHBondContact CB-O 3.44Å; I477-L499 HydrophobicContact CG1-CG 4.41Å; I477-L499 HydrophobicContact CG2-CD2 4.02Å; I477-L499 PolarHBondContact N-O 2.81Å; I477-N501 HydrophobicContact CD1-CB 4.35Å; I477-T573 HydrophobicContact CG1-CG2 4.38Å
478	K	90.3	Very high	72	Confident	51 Å²	51	56 Å²	56	22%	0.222	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	136	-178.6	-161.6	176	179.7	83.2	0	110.9	L499 D565 W566 A569	K478-L499 PolarHBondContact N-O 2.76Å; K478-L499 PolarHBondContact O-N 2.73Å; K478-D565 IonicContact NZ-OD2 2.64Å; K478-D565 PolarHBondContact NZ-OD2 2.93Å; K478-W566 HydrophobicContact CB-CE3 4.47Å; K478-W566 HydrophobicContact CB-CH2 4.06Å; K478-W566 HydrophobicContact CB-CZ3 3.83Å; K478-W566 HydrophobicContact CD-CD2 3.86Å; K478-W566 HydrophobicContact CD-CE3 3.7Å; K478-W566 HydrophobicContact CD-CH2 4.12Å; K478-W566 HydrophobicContact CD-CZ2 4.27Å; K478-W566 HydrophobicContact CD-CZ3 3.84Å; K478-W566 HydrophobicContact CG-CE3 4.28Å; K478-W566 HydrophobicContact CG-CH2 3.83Å; K478-W566 HydrophobicContact CG-CZ2 4.19Å; K478-W566 HydrophobicContact CG-CZ3 3.88Å; K478-A569 HydrophobicContact CD-CB 3.84Å
479	E	91.3	Very high	72.4	Confident	57 Å²	57	55 Å²	55	27%	0.266	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.4	169.1	66.3	175	-166	0	0	109.9	K458 V459 L476 Y496 L497	K458-E479 IonicContact NZ-OE1 3.51Å; K458-E479 PolarHBondContact NZ-OE1 3.34Å; K458-E479 IonicContact NZ-OE2 3.48Å; V459-E479 WeakPolarHBondContact CG2-OE2 3.43Å; L476-E479 HydrophobicContact CD1-CB 4.46Å; L476-E479 HydrophobicContact CD2-CG 4.44Å; E479-Y496 HydrophobicContact CB-CE1 4.03Å; E479-Y496 WeakPolarHBondContact CG-OH 3.24Å; E479-L497 WeakPolarHBondContact CA-O 3.39Å
480	G	90	Very high	72.5	Confident	15 Å²	15	57.7 Å²	57.7	16%	0.155	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.6	173.7	178.1	0	0	0	0	0	115.1	Y496 L497	G480-Y496 WeakPolarHBondContact O-CA 3.42Å; G480-Y496 VanDerWaalsContact O-CD2 3.29Å; G480-Y496 WeakPolarHBondContact O-CD2 3.41Å; G480-L497 PolarHBondContact N-O 2.81Å; G480-L497 PolarHBondContact O-N 3.16Å
481	H	90	Very high	73.7	Confident	60 Å²	60	59.8 Å²	59.8	28%	0.278	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	155.1	174.8	-70.9	-102.1	0	0	0	111.1	D494 R495 Y496 Y518	H481-D494 IonicContact CE1-OD2 3.13Å; H481-D494 IonicContact CG-OD2 3.97Å; H481-D494 IonicContact ND1-OD1 3.99Å; H481-D494 IonicContact ND1-OD2 2.76Å; H481-D494 PolarHBondContact ND1-OD2 3.44Å; H481-R495 CarbonylContact C-O 3.32Å; H481-R495 VanDerWaalsContact CA-O 3.3Å; H481-R495 WeakPolarHBondContact CA-O 3.16Å; H481-Y496 AromaticContact CD2-CD2 3.85Å; H481-Y496 AromaticContact CD2-CE2 3.75Å; H481-Y496 AromaticContact NE2-CD2 3.89Å; H481-Y496 AromaticContact NE2-CE2 3.82Å; H481-Y518 PolarHBondContact CE1-OH 2.99Å
482	I	91.1	Very high	75	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	155.7	171.5	-157.4	69.2	0	0	0	109	R495 L497 F544 L555 Q556 A557	I482-R495 HydrophobicContact CG2-CB 3.76Å; I482-R495 PolarHBondContact N-O 3.08Å; I482-R495 PolarHBondContact O-N 2.89Å; I482-L497 HydrophobicContact CB-CD1 3.75Å; I482-L497 HydrophobicContact CB-CG 4.1Å; I482-L497 HydrophobicContact CD1-CD1 4.28Å; I482-L497 HydrophobicContact CG1-CD1 3.82Å; I482-L497 HydrophobicContact CG2-CD1 3.76Å; I482-L497 HydrophobicContact CG2-CD2 4.45Å; I482-L497 HydrophobicContact CG2-CG 3.67Å; I482-F544 HydrophobicContact CD1-CE1 4.13Å; I482-F544 HydrophobicContact CD1-CZ 4.14Å; I482-L555 HydrophobicContact CG1-CB 4.12Å; I482-L555 HydrophobicContact CG1-CD2 4.3Å; I482-L555 HydrophobicContact CG2-CD2 4Å; I482-Q556 WeakPolarHBondContact CD1-O 3.36Å; I482-Q556 WeakPolarHBondContact CG1-O 3.29Å; I482-A557 HydrophobicContact CD1-CB 4.35Å
483	L	88.1	Confident	77	Confident	34 Å²	34	60.7 Å²	60.7	18%	0.178	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	132.7	167.4	-58.2	176.4	0	0	0	109.1	T492 Q493 D494 Q556	L483-T492 HydrophobicContact CB-CG2 4.39Å; L483-T492 HydrophobicContact CD1-CG2 4.31Å; L483-Q493 CarbonylContact C-O 3.58Å; L483-Q493 WeakPolarHBondContact CA-O 3.33Å; L483-D494 HydrophobicContact CD2-CB 4.38Å; L483-Q556 HydrophobicContact CB-CB 4.19Å; L483-Q556 WeakPolarHBondContact CB-O 3.28Å; L483-Q556 PolarHBondContact N-O 2.69Å; L483-Q556 PolarHBondContact O-N 3.23Å
484	K	84.5	Confident	78.5	Confident	39 Å²	39	58.9 Å²	58.9	17%	0.17	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	130.7	163	175.2	157.7	-172.6	165.7	0	110.2	T492 Q493 R495 Y506	K484-T492 CarbonylContact O-C 3.54Å; K484-T492 WeakPolarHBondContact O-CA 3.38Å; K484-Q493 PolarHBondContact N-O 2.79Å; K484-Q493 PolarHBondContact O-N 2.99Å; K484-R495 HydrophobicContact CB-CG 4.02Å; K484-Y506 HydrophobicContact CB-CE2 4.25Å; K484-Y506 HydrophobicContact CD-CE2 4.19Å; K484-Y506 WeakPolarHBondContact CD-OH 3.34Å
485	L	75.6	Confident	79.8	Confident	28 Å²	28	60.6 Å²	60.6	15%	0.147	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	135.1	167.6	-68	167	0	0	0	110.7	T492 T543 E554 Q556	L485-T492 HydrophobicContact CD2-CG2 3.78Å; L485-T543 HydrophobicContact CD1-CG2 3.79Å; L485-E554 HydrophobicContact CD1-CG 4.41Å; L485-Q556 HydrophobicContact CG-CB 4.47Å
486	S	66.1	Low	80.4	Confident	21 Å²	21	58.1 Å²	58.1	15%	0.147	31%	0.309	C	S	.	.			trans	-92.6	109.1	178.1	177.3	0	0	0	0	111.6	K488 N489 G490 T491	S486-K488 PolarHBondContact O-N 3.44Å; S486-N489 WeakPolarHBondContact CB-OD1 3.17Å; S486-N489 PolarHBondContact O-N 3.38Å; S486-N489 PolarHBondContact OG-OD1 2.87Å; S486-G490 PolarHBondContact O-N 3.07Å; S486-T491 WeakPolarHBondContact CB-O 3.38Å; S486-T491 PolarHBondContact N-O 2.9Å
487	N	63	Low	80.8	Confident	133 Å²	133	56.7 Å²	56.7	71%	0.711	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-9.4	177.4	-51	82.2	0	0	0	114.7
488	K	62.2	Low	80.9	Confident	203 Å²	203	54 Å²	54	88%	0.883	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-21.9	-178.4	-67.7	-164.7	174	-165.7	0	115	S486	S486-K488 PolarHBondContact O-N 3.44Å
489	N	59.5	Low	81	Confident	105 Å²	105	51.6 Å²	51.6	56%	0.561	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-160.2	12.8	-170.5	60.2	-13.9	0	0	0	114.7	S486 T491	S486-N489 WeakPolarHBondContact CB-OD1 3.17Å; S486-N489 PolarHBondContact O-N 3.38Å; S486-N489 PolarHBondContact OG-OD1 2.87Å; N489-T491 PolarHBondContact O-N 3.36Å; N489-T491 PolarHBondContact OD1-OG1 2.83Å; N489-T491 VanDerWaalsContact OD1-OG1 3.1Å
490	G	62.8	Low	80.9	Confident	58 Å²	58	48.9 Å²	48.9	60%	0.598	26%	0.264	S	S	*	.			trans	68.2	-3.7	176.5	0	0	0	0	0	115.7	S486	S486-G490 PolarHBondContact O-N 3.07Å
491	T	73.6	Confident	80.7	Confident	65 Å²	65	50.3 Å²	50.3	40%	0.399	27%	0.269	S	S	.	.			trans	-71.6	138.4	-177.9	60.2	0	0	0	0	111.5	S486 N489	S486-T491 WeakPolarHBondContact CB-O 3.38Å; S486-T491 PolarHBondContact N-O 2.9Å; N489-T491 PolarHBondContact O-N 3.36Å; N489-T491 PolarHBondContact OD1-OG1 2.83Å; N489-T491 VanDerWaalsContact OD1-OG1 3.1Å
492	T	77.8	Confident	80.3	Confident	72 Å²	72	49.6 Å²	49.6	44%	0.442	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	144.6	170.5	46.9	0	0	0	0	110.2	L483 K484 L485	L483-T492 HydrophobicContact CB-CG2 4.39Å; L483-T492 HydrophobicContact CD1-CG2 4.31Å; K484-T492 CarbonylContact O-C 3.54Å; K484-T492 WeakPolarHBondContact O-CA 3.38Å; L485-T492 HydrophobicContact CD2-CG2 3.78Å
493	Q	83.4	Confident	80.2	Confident	69 Å²	69	51.4 Å²	51.4	32%	0.322	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	126.7	-180	-55.9	-177.1	-11.7	0	0	108.9	L483 K484 R495	L483-Q493 CarbonylContact C-O 3.58Å; L483-Q493 WeakPolarHBondContact CA-O 3.33Å; K484-Q493 PolarHBondContact N-O 2.79Å; K484-Q493 PolarHBondContact O-N 2.99Å; Q493-R495 WeakPolarHBondContact O-CG 3.21Å
494	D	86.3	Confident	80.3	Confident	54 Å²	54	49.9 Å²	49.9	29%	0.289	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	132.7	177.4	-165.1	78	0	0	0	111.2	H481 L483 R558	H481-D494 IonicContact CE1-OD2 3.13Å; H481-D494 IonicContact CG-OD2 3.97Å; H481-D494 IonicContact ND1-OD1 3.99Å; H481-D494 IonicContact ND1-OD2 2.76Å; H481-D494 PolarHBondContact ND1-OD2 3.44Å; L483-D494 HydrophobicContact CD2-CB 4.38Å; D494-R558 IonicContact OD1-CZ 3.76Å; D494-R558 IonicContact OD1-NH2 2.71Å; D494-R558 PolarHBondContact OD1-NH2 2.93Å; D494-R558 IonicContact OD2-NH2 3.98Å
495	R	90.5	Very high	80.5	Confident	45 Å²	45	48 Å²	48	17%	0.17	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	167.6	-171.1	-61.3	-66	170.3	-120	12.1	109.1	H481 I482 K484 Q493 Y506	H481-R495 CarbonylContact C-O 3.32Å; H481-R495 VanDerWaalsContact CA-O 3.3Å; H481-R495 WeakPolarHBondContact CA-O 3.16Å; I482-R495 HydrophobicContact CG2-CB 3.76Å; I482-R495 PolarHBondContact N-O 3.08Å; I482-R495 PolarHBondContact O-N 2.89Å; K484-R495 HydrophobicContact CB-CG 4.02Å; Q493-R495 WeakPolarHBondContact O-CG 3.21Å; R495-Y506 HydrophobicContact CB-CE2 3.87Å; R495-Y506 VanDerWaalsContact CD-OH 3.26Å; R495-Y506 WeakPolarHBondContact CD-OH 3.39Å; R495-Y506 HydrophobicContact CG-CE2 3.69Å; R495-Y506 WeakPolarHBondContact CG-OH 3.43Å; R495-Y506 PolarHBondContact NE-OH 3.3Å
496	Y	90.3	Very high	81.2	Confident	23 Å²	23	47.3 Å²	47.3	9%	0.09	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	133.9	177.5	-154.4	-103.7	0	0	0	109.4	E479 G480 H481 I498 C507 Y518	E479-Y496 HydrophobicContact CB-CE1 4.03Å; E479-Y496 WeakPolarHBondContact CG-OH 3.24Å; G480-Y496 WeakPolarHBondContact O-CA 3.42Å; G480-Y496 VanDerWaalsContact O-CD2 3.29Å; G480-Y496 WeakPolarHBondContact O-CD2 3.41Å; H481-Y496 AromaticContact CD2-CD2 3.85Å; H481-Y496 AromaticContact CD2-CE2 3.75Å; H481-Y496 AromaticContact NE2-CD2 3.89Å; H481-Y496 AromaticContact NE2-CE2 3.82Å; Y496-I498 HydrophobicContact CD1-CD1 4.19Å; Y496-I498 HydrophobicContact CD1-CG1 3.81Å; Y496-I498 HydrophobicContact CE1-CD1 4.49Å; Y496-I498 HydrophobicContact CE1-CG1 3.94Å; Y496-C507 PolarHBondContact N-O 3.2Å; Y496-C507 VanDerWaalsContact N-O 3.1Å; Y496-C507 WeakPolarHBondContact O-CB 3.36Å; Y496-C507 PolarHBondContact O-N 3.46Å; Y496-Y518 HydrophobicContact CD1-CD2 4.22Å; Y496-Y518 HydrophobicContact CD1-CE2 4.08Å; Y496-Y518 HydrophobicContact CD2-CE1 4.16Å; Y496-Y518 HydrophobicContact CD2-CE2 4.03Å; Y496-Y518 AromaticContact CD2-CZ 3.65Å; Y496-Y518 WeakPolarHBondContact CD2-OH 3.49Å; Y496-Y518 HydrophobicContact CE1-CE2 4.36Å; Y496-Y518 HydrophobicContact CE2-CE2 4.32Å; Y496-Y518 HydrophobicContact CG-CD1 4.35Å; Y496-Y518 HydrophobicContact CG-CD2 4.3Å; Y496-Y518 HydrophobicContact CG-CE1 4.01Å; Y496-Y518 AromaticContact CG-CE2 3.91Å; Y496-Y518 HydrophobicContact CG-CE2 3.91Å; Y496-Y518 AromaticContact CG-CZ 3.77Å
497	L	91.8	Very high	82.3	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	141.9	174.7	-72.4	172.7	0	0	0	109.9	E479 G480 I482 L504 Y506 L555 W566	E479-L497 WeakPolarHBondContact CA-O 3.39Å; G480-L497 PolarHBondContact N-O 2.81Å; G480-L497 PolarHBondContact O-N 3.16Å; I482-L497 HydrophobicContact CB-CD1 3.75Å; I482-L497 HydrophobicContact CB-CG 4.1Å; I482-L497 HydrophobicContact CD1-CD1 4.28Å; I482-L497 HydrophobicContact CG1-CD1 3.82Å; I482-L497 HydrophobicContact CG2-CD1 3.76Å; I482-L497 HydrophobicContact CG2-CD2 4.45Å; I482-L497 HydrophobicContact CG2-CG 3.67Å; L497-L504 HydrophobicContact CD2-CD1 4.25Å; L497-L504 HydrophobicContact CD2-CD2 4.47Å; L497-L504 HydrophobicContact CD2-CG 4.45Å; L497-Y506 HydrophobicContact CD2-CD2 4.16Å; L497-L555 HydrophobicContact CD1-CD1 4.01Å; L497-L555 HydrophobicContact CD2-CD1 4.32Å; L497-W566 HydrophobicContact CB-CH2 3.63Å; L497-W566 HydrophobicContact CB-CZ2 4Å; L497-W566 HydrophobicContact CB-CZ3 4.07Å; L497-W566 HydrophobicContact CD1-CD2 4.49Å
498	I	91.5	Very high	83.4	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	109.1	176.8	-54.2	157.5	0	0	0	106.7	V459 L463 L476 Y496 F500 L505	V459-I498 HydrophobicContact CG1-CD1 3.67Å; V459-I498 HydrophobicContact CG1-CG1 4.43Å; V459-I498 HydrophobicContact CG1-CG2 4.03Å; V459-I498 HydrophobicContact CG2-CG2 4.42Å; L463-I498 HydrophobicContact CD1-CD1 4.21Å; L463-I498 HydrophobicContact CD2-CD1 4.05Å; L463-I498 HydrophobicContact CG-CD1 4.33Å; L476-I498 HydrophobicContact CD1-CG2 3.44Å; L476-I498 VanDerWaalsContact CD1-CG2 3.44Å; Y496-I498 HydrophobicContact CD1-CD1 4.19Å; Y496-I498 HydrophobicContact CD1-CG1 3.81Å; Y496-I498 HydrophobicContact CE1-CD1 4.49Å; Y496-I498 HydrophobicContact CE1-CG1 3.94Å; I498-F500 HydrophobicContact CB-CE2 4.39Å; I498-F500 HydrophobicContact CG2-CD2 4.14Å; I498-F500 HydrophobicContact CG2-CE1 4.18Å; I498-F500 HydrophobicContact CG2-CE2 3.43Å; I498-F500 VanDerWaalsContact CG2-CE2 3.43Å; I498-F500 HydrophobicContact CG2-CZ 3.45Å; I498-F500 VanDerWaalsContact CG2-CZ 3.45Å; I498-L505 HydrophobicContact CB-CB 4.29Å; I498-L505 PolarHBondContact N-O 2.85Å; I498-L505 VanDerWaalsContact N-O 3.09Å; I498-L505 PolarHBondContact O-N 2.93Å
499	L	91.9	Very high	84.3	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	118.4	177.9	177.8	65.7	0	0	0	109.7	I477 K478 L504 W566 A569 I570 T573	I477-L499 HydrophobicContact CB-CB 4.48Å; I477-L499 HydrophobicContact CB-CD2 4.08Å; I477-L499 HydrophobicContact CB-CG 4.04Å; I477-L499 WeakPolarHBondContact CB-O 3.44Å; I477-L499 HydrophobicContact CG1-CG 4.41Å; I477-L499 HydrophobicContact CG2-CD2 4.02Å; I477-L499 PolarHBondContact N-O 2.81Å; K478-L499 PolarHBondContact N-O 2.76Å; K478-L499 PolarHBondContact O-N 2.73Å; L499-L504 HydrophobicContact CB-CD1 3.89Å; L499-L504 HydrophobicContact CD1-CB 4.24Å; L499-L504 HydrophobicContact CD1-CD1 4.03Å; L499-W566 HydrophobicContact CB-CZ3 4.22Å; L499-A569 HydrophobicContact CD2-CB 4.15Å; L499-I570 HydrophobicContact CD1-CG1 4.4Å; L499-I570 HydrophobicContact CD2-CG1 3.89Å; L499-T573 HydrophobicContact CD1-CG2 4.35Å
500	F	89.8	Confident	84.9	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	168.4	166.4	-60.3	-75.8	0	0	0	110.9	L456 V459 I469 E475 L476 I498 D502 R503 L505	L456-F500 HydrophobicContact CD1-CD1 3.98Å; L456-F500 HydrophobicContact CD1-CE1 3.31Å; L456-F500 HydrophobicContact CD1-CZ 3.96Å; V459-F500 HydrophobicContact CG1-CZ 4.07Å; I469-F500 HydrophobicContact CB-CZ 4.47Å; I469-F500 HydrophobicContact CD1-CZ 3.95Å; I469-F500 HydrophobicContact CG2-CE2 4.22Å; I469-F500 HydrophobicContact CG2-CZ 4.43Å; E475-F500 CarbonylContact O-C 3.35Å; E475-F500 VanDerWaalsContact O-CA 3.25Å; E475-F500 WeakPolarHBondContact O-CA 3.25Å; L476-F500 HydrophobicContact CB-CD1 4.18Å; L476-F500 HydrophobicContact CB-CE1 3.99Å; L476-F500 HydrophobicContact CD1-CD1 4.15Å; L476-F500 HydrophobicContact CD1-CE1 3.75Å; L476-F500 HydrophobicContact CD1-CZ 4.22Å; L476-F500 HydrophobicContact CG-CE1 4.47Å; I498-F500 HydrophobicContact CB-CE2 4.39Å; I498-F500 HydrophobicContact CG2-CD2 4.14Å; I498-F500 HydrophobicContact CG2-CE1 4.18Å; I498-F500 HydrophobicContact CG2-CE2 3.43Å; I498-F500 VanDerWaalsContact CG2-CE2 3.43Å; I498-F500 HydrophobicContact CG2-CZ 3.45Å; I498-F500 VanDerWaalsContact CG2-CZ 3.45Å; F500-D502 PolarHBondContact O-N 3.42Å; F500-R503 HydrophobicContact CB-CG 4.32Å; F500-R503 WeakPolarHBondContact CB-O 3.31Å; F500-R503 HydrophobicContact CD2-CG 3.92Å; F500-R503 PolarHBondContact N-O 3.13Å; F500-L505 HydrophobicContact CD2-CD1 4.45Å; F500-L505 HydrophobicContact CD2-CG 4.36Å; F500-L505 HydrophobicContact CE2-CD1 3.74Å; F500-L505 HydrophobicContact CE2-CG 4.09Å
501	N	85.6	Confident	84.6	Confident	46 Å²	46	38.4 Å²	38.4	25%	0.246	20%	0.2	C	C	.	.	S	Bend	trans	-63.6	-15.8	173.9	62.7	-33.1	0	0	0	115.3	T473 N474 E475 I477 H577	T473-N501 PolarHBondContact O-ND2 3.09Å; N474-N501 WeakPolarHBondContact CA-OD1 3.44Å; E475-N501 HydrophobicContact CB-CB 4.31Å; E475-N501 PolarHBondContact N-OD1 3.49Å; E475-N501 PolarHBondContact O-N 2.86Å; I477-N501 HydrophobicContact CD1-CB 4.35Å; N501-H577 PolarHBondContact O-ND1 3.36Å
502	D	81.7	Confident	83.7	Confident	45 Å²	45	43 Å²	43	24%	0.241	21%	0.21	C	C	.	.	S	Bend	trans	-117.6	-24.5	178.8	74.4	-25	0	0	0	114.4	F500 V526	F500-D502 PolarHBondContact O-N 3.42Å; D502-V526 VanDerWaalsContact C-CG2 3.47Å; D502-V526 WeakPolarHBondContact O-CB 3.46Å; D502-V526 WeakPolarHBondContact O-CG2 3.25Å; D502-V526 PolarHBondContact O-N 3.07Å
503	R	87.8	Confident	82.2	Confident	38 Å²	38	48.4 Å²	48.4	14%	0.143	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	147.3	-173.6	75.3	-163.7	87.3	165.8	-1.6	113.6	D468 N474 F500 L505	D468-R503 PolarHBondContact O-NH1 3.48Å; N474-R503 PolarHBondContact ND2-NH2 3.33Å; N474-R503 VanDerWaalsContact ND2-NH2 3.19Å; F500-R503 HydrophobicContact CB-CG 4.32Å; F500-R503 WeakPolarHBondContact CB-O 3.31Å; F500-R503 HydrophobicContact CD2-CG 3.92Å; F500-R503 PolarHBondContact N-O 3.13Å; R503-L505 HydrophobicContact CG-CD2 4.07Å; R503-L505 HydrophobicContact CG-CG 4.47Å
504	L	90.8	Very high	80.3	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	123.9	165.9	-179.4	69.7	0	0	0	109.8	L497 L499 I524 M529 V546	L497-L504 HydrophobicContact CD2-CD1 4.25Å; L497-L504 HydrophobicContact CD2-CD2 4.47Å; L497-L504 HydrophobicContact CD2-CG 4.45Å; L499-L504 HydrophobicContact CB-CD1 3.89Å; L499-L504 HydrophobicContact CD1-CB 4.24Å; L499-L504 HydrophobicContact CD1-CD1 4.03Å; L504-I524 PolarHBondContact N-O 2.98Å; L504-I524 PolarHBondContact O-N 3.46Å; L504-M529 HydrophobicContact CB-CE 3.62Å; L504-V546 HydrophobicContact CD2-CB 4.42Å; L504-V546 HydrophobicContact CD2-CG1 3.89Å; L504-V546 HydrophobicContact CD2-CG2 4.26Å
505	L	89.8	Confident	78.7	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	130.3	171.6	-52.5	-175.7	0	0	0	110.4	L463 I469 I498 F500 R503 V520 R523	L463-L505 HydrophobicContact CD1-CD1 3.84Å; I469-L505 HydrophobicContact CG2-CD1 4.26Å; I498-L505 HydrophobicContact CB-CB 4.29Å; I498-L505 PolarHBondContact N-O 2.85Å; I498-L505 VanDerWaalsContact N-O 3.09Å; I498-L505 PolarHBondContact O-N 2.93Å; F500-L505 HydrophobicContact CD2-CD1 4.45Å; F500-L505 HydrophobicContact CD2-CG 4.36Å; F500-L505 HydrophobicContact CE2-CD1 3.74Å; F500-L505 HydrophobicContact CE2-CG 4.09Å; R503-L505 HydrophobicContact CG-CD2 4.07Å; R503-L505 HydrophobicContact CG-CG 4.47Å; L505-V520 HydrophobicContact CB-CG2 4.4Å; L505-V520 HydrophobicContact CD1-CG2 4.04Å; L505-V520 HydrophobicContact CD2-CG1 4.34Å; L505-R523 HydrophobicContact CD2-CB 4.12Å; L505-R523 HydrophobicContact CD2-CG 3.76Å
506	Y	89.6	Confident	77.3	Confident	14 Å²	14	50.5 Å²	50.5	6%	0.055	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	119.4	172.3	163.5	-92	0	0	0	109.9	K484 R495 L497 R521 A522 L553 L555	K484-Y506 HydrophobicContact CB-CE2 4.25Å; K484-Y506 HydrophobicContact CD-CE2 4.19Å; K484-Y506 WeakPolarHBondContact CD-OH 3.34Å; R495-Y506 HydrophobicContact CB-CE2 3.87Å; R495-Y506 VanDerWaalsContact CD-OH 3.26Å; R495-Y506 WeakPolarHBondContact CD-OH 3.39Å; R495-Y506 HydrophobicContact CG-CE2 3.69Å; R495-Y506 WeakPolarHBondContact CG-OH 3.43Å; R495-Y506 PolarHBondContact NE-OH 3.3Å; L497-Y506 HydrophobicContact CD2-CD2 4.16Å; Y506-R521 HydrophobicContact CD1-CB 3.97Å; Y506-R521 HydrophobicContact CE1-CB 3.92Å; Y506-R521 HydrophobicContact CE1-CG 4.13Å; Y506-R521 PolarHBondContact O-N 3.48Å; Y506-A522 HydrophobicContact CD1-CB 4.1Å; Y506-A522 PolarHBondContact N-O 2.98Å; Y506-A522 PolarHBondContact O-N 2.9Å; Y506-L553 VanDerWaalsContact CB-CD1 3.43Å; Y506-L553 HydrophobicContact CD1-CD1 4.33Å; Y506-L553 HydrophobicContact CD1-CD2 4.22Å; Y506-L553 HydrophobicContact CD2-CD1 4.05Å; Y506-L553 HydrophobicContact CD2-CD2 4.45Å; Y506-L553 HydrophobicContact CE1-CD2 4.46Å; Y506-L553 HydrophobicContact CG-CD1 3.68Å; Y506-L553 HydrophobicContact CG-CD2 4.23Å; Y506-L555 HydrophobicContact CD2-CD2 4.22Å; Y506-L555 HydrophobicContact CE2-CD2 4.3Å
507	C	88.3	Confident	76.1	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	145.9	-166.5	-58.1	0	0	0	0	113	Y496 S519	Y496-C507 PolarHBondContact N-O 3.2Å; Y496-C507 VanDerWaalsContact N-O 3.1Å; Y496-C507 WeakPolarHBondContact O-CB 3.36Å; Y496-C507 PolarHBondContact O-N 3.46Å; C507-S519 CarbonylContact C-O 3.59Å; C507-S519 WeakPolarHBondContact CA-O 3.45Å
508	V	86.6	Confident	75.6	Confident	33 Å²	33	57.2 Å²	57.2	20%	0.2	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	140.3	172.5	-60.2	0	0	0	0	109.9	Y518 S519 R521	V508-Y518 CarbonylContact O-C 3.57Å; V508-Y518 WeakPolarHBondContact O-CA 3.41Å; V508-S519 WeakPolarHBondContact CG2-OG 3.49Å; V508-S519 PolarHBondContact N-O 3.05Å; V508-S519 PolarHBondContact O-N 2.88Å; V508-R521 HydrophobicContact CG1-CB 3.93Å; V508-R521 HydrophobicContact CG1-CG 4.25Å
509	P	80.5	Confident	75.1	Confident	56 Å²	56	57.8 Å²	57.8	36%	0.364	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	142.2	172.5	-21.1	32.1	0	0	0	112.3	K517 Y518	P509-K517 WeakPolarHBondContact CA-O 3.41Å; P509-Y518 HydrophobicContact CB-CD1 4.29Å; P509-Y518 HydrophobicContact CB-CE1 4.31Å; P509-Y518 HydrophobicContact CG-CD1 4.25Å; P509-Y518 HydrophobicContact CG-CE1 4.08Å
510	K	73	Confident	74.7	Confident	62 Å²	62	59.2 Å²	59.2	27%	0.27	31%	0.305	S	S	.	.			trans	-114.4	128.2	168	-83.8	176.1	171.4	166.8	0	108.1	E466 R512 Q516 K517 S519	E466-K510 IonicContact OE1-NZ 3.57Å; E466-K510 PolarHBondContact OE1-NZ 3.07Å; E466-K510 IonicContact OE2-NZ 2.68Å; E466-K510 PolarHBondContact OE2-NZ 2.81Å; K510-R512 PolarHBondContact O-N 3.11Å; K510-R512 VanDerWaalsContact O-N 3.14Å; K510-Q516 VanDerWaalsContact CD-CD 3.45Å; K510-Q516 HydrophobicContact CD-CG 3.99Å; K510-K517 PolarHBondContact N-O 2.86Å; K510-S519 WeakPolarHBondContact CE-OG 3.42Å
511	L	56.6	Low	74.4	Confident	182 Å²	182	67.1 Å²	67.1	95%	0.953	33%	0.334	S	S	*	.			trans	-78.1	96.5	167.5	-82.8	80.7	0	0	0	109.2
512	R	54.9	Low	74.4	Confident	160 Å²	160	65.2 Å²	65.2	60%	0.604	33%	0.325	S	S	*	.			trans	-129.7	144	165.4	-78.2	-179.7	161.2	176.2	-12.2	108.7	K510 I514	K510-R512 PolarHBondContact O-N 3.11Å; K510-R512 VanDerWaalsContact O-N 3.14Å; R512-I514 VanDerWaalsContact C-N 3.33Å; R512-I514 PolarHBondContact O-N 2.96Å
513	L	46.2	Very low	74.6	Confident	186 Å²	186	69.6 Å²	69.6	97%	0.974	34%	0.338	S	S	*	.	S	Bend	trans	-74.1	-21.1	-177.4	-75.9	127	0	0	0	113.6
514	I	43.8	Very low	74.7	Confident	151 Å²	151	68.1 Å²	68.1	77%	0.774	33%	0.333	S	S	*	.	S	Bend	trans	-139.4	142.6	-175.8	-60.8	-179.5	0	0	0	110.1	R512 Q516	R512-I514 VanDerWaalsContact C-N 3.33Å; R512-I514 PolarHBondContact O-N 2.96Å; I514-Q516 PolarHBondContact O-N 2.82Å; I514-Q516 VanDerWaalsContact O-N 3.14Å
515	G	52.8	Low	74.5	Confident	53 Å²	53	72.2 Å²	72.2	55%	0.546	36%	0.355	S	S	.	.	S	Bend	trans	74.5	-95.9	171.2	0	0	0	0	0	114	K517	G515-K517 PolarHBondContact O-N 3.42Å
516	Q	59.5	Low	74.5	Confident	8 Å²	8	72.3 Å²	72.3	4%	0.037	36%	0.356	C	S	.	.			trans	-73.8	111.3	-167.3	-175.5	177.8	55.7	0	0	112.9	L463 E466 K510 I514 Y518	L463-Q516 PolarHBondContact O-NE2 2.99Å; E466-Q516 PolarHBondContact OE1-NE2 3.13Å; E466-Q516 PolarHBondContact OE1-OE1 2.97Å; E466-Q516 PolarHBondContact OE2-NE2 3.34Å; K510-Q516 VanDerWaalsContact CD-CD 3.45Å; K510-Q516 HydrophobicContact CD-CG 3.99Å; I514-Q516 PolarHBondContact O-N 2.82Å; I514-Q516 VanDerWaalsContact O-N 3.14Å; Q516-Y518 WeakPolarHBondContact CG-O 3.5Å
517	K	66.3	Low	74.2	Confident	132 Å²	132	75.2 Å²	75.2	57%	0.574	37%	0.372	S	S	*	.			trans	-93.3	-28.7	177.2	-61	-170.8	-174.9	175.4	0	113.1	L462 P509 K510 G515	L462-K517 HydrophobicContact CD2-CB 4.13Å; L462-K517 HydrophobicContact CD2-CD 3.75Å; L462-K517 HydrophobicContact CD2-CG 4.14Å; L462-K517 PolarHBondContact O-N 3.43Å; P509-K517 WeakPolarHBondContact CA-O 3.41Å; K510-K517 PolarHBondContact N-O 2.86Å; G515-K517 PolarHBondContact O-N 3.42Å
518	Y	81.1	Confident	73.8	Confident	32 Å²	32	77.1 Å²	77.1	13%	0.125	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	165.9	-176.2	-60.2	-71.4	0	0	0	111.5	L462 H481 Y496 V508 P509 Q516	L462-Y518 HydrophobicContact CB-CD2 4.41Å; L462-Y518 HydrophobicContact CD2-CD2 4.47Å; L462-Y518 HydrophobicContact CD2-CE2 4.46Å; L462-Y518 PolarHBondContact O-N 3.5Å; H481-Y518 PolarHBondContact CE1-OH 2.99Å; Y496-Y518 HydrophobicContact CD1-CD2 4.22Å; Y496-Y518 HydrophobicContact CD1-CE2 4.08Å; Y496-Y518 HydrophobicContact CD2-CE1 4.16Å; Y496-Y518 HydrophobicContact CD2-CE2 4.03Å; Y496-Y518 AromaticContact CD2-CZ 3.65Å; Y496-Y518 WeakPolarHBondContact CD2-OH 3.49Å; Y496-Y518 HydrophobicContact CE1-CE2 4.36Å; Y496-Y518 HydrophobicContact CE2-CE2 4.32Å; Y496-Y518 HydrophobicContact CG-CD1 4.35Å; Y496-Y518 HydrophobicContact CG-CD2 4.3Å; Y496-Y518 HydrophobicContact CG-CE1 4.01Å; Y496-Y518 AromaticContact CG-CE2 3.91Å; Y496-Y518 HydrophobicContact CG-CE2 3.91Å; Y496-Y518 AromaticContact CG-CZ 3.77Å; V508-Y518 CarbonylContact O-C 3.57Å; V508-Y518 WeakPolarHBondContact O-CA 3.41Å; P509-Y518 HydrophobicContact CB-CD1 4.29Å; P509-Y518 HydrophobicContact CB-CE1 4.31Å; P509-Y518 HydrophobicContact CG-CD1 4.25Å; P509-Y518 HydrophobicContact CG-CE1 4.08Å; Q516-Y518 WeakPolarHBondContact CG-O 3.5Å
519	S	79.9	Confident	74	Confident	14 Å²	14	76.1 Å²	76.1	10%	0.098	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	143	168.6	54	0	0	0	0	111.4	C507 V508 K510	C507-S519 CarbonylContact C-O 3.59Å; C507-S519 WeakPolarHBondContact CA-O 3.45Å; V508-S519 WeakPolarHBondContact CG2-OG 3.49Å; V508-S519 PolarHBondContact N-O 3.05Å; V508-S519 PolarHBondContact O-N 2.88Å; K510-S519 WeakPolarHBondContact CE-OG 3.42Å
520	V	83.8	Confident	74.3	Confident	31 Å²	31	78.2 Å²	78.2	19%	0.188	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	130.2	-178.6	-177.1	0	0	0	0	110.1	L463 E467 L505 A522 R523	L463-V520 HydrophobicContact CD1-CG2 4.07Å; L463-V520 HydrophobicContact CD2-CG2 3.94Å; E467-V520 HydrophobicContact CG-CB 4.41Å; E467-V520 HydrophobicContact CG-CG2 3.68Å; E467-V520 VanDerWaalsContact OE1-CB 3.22Å; E467-V520 WeakPolarHBondContact OE1-CB 3.4Å; E467-V520 WeakPolarHBondContact OE1-CG2 3.22Å; L505-V520 HydrophobicContact CB-CG2 4.4Å; L505-V520 HydrophobicContact CD1-CG2 4.04Å; L505-V520 HydrophobicContact CD2-CG1 4.34Å; V520-A522 WeakPolarHBondContact CG1-O 3.43Å; V520-R523 HydrophobicContact CG1-CG 3.74Å
521	R	84.2	Confident	75.1	Confident	165 Å²	165	76.9 Å²	76.9	62%	0.623	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	-25.8	177.9	-175.3	62.6	-175.3	122	-3.5	112.5	Y506 V508 R551	Y506-R521 HydrophobicContact CD1-CB 3.97Å; Y506-R521 HydrophobicContact CE1-CB 3.92Å; Y506-R521 HydrophobicContact CE1-CG 4.13Å; Y506-R521 PolarHBondContact O-N 3.48Å; V508-R521 HydrophobicContact CG1-CB 3.93Å; V508-R521 HydrophobicContact CG1-CG 4.25Å; R521-R551 PolarHBondContact O-NH1 2.7Å
522	A	84.6	Confident	76.4	Confident	6 Å²	6	73.3 Å²	73.3	5%	0.05	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	149.2	169	0	0	0	0	0	110	Y506 V520 L553	Y506-A522 HydrophobicContact CD1-CB 4.1Å; Y506-A522 PolarHBondContact N-O 2.98Å; Y506-A522 PolarHBondContact O-N 2.9Å; V520-A522 WeakPolarHBondContact CG1-O 3.43Å; A522-L553 HydrophobicContact CB-CD1 4.42Å
523	R	87.5	Confident	77.7	Confident	137 Å²	137	70.7 Å²	70.7	52%	0.517	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	142.9	167.1	-47	-171.9	-166.4	130.2	1.3	106.6	E467 L505 V520	E467-R523 IonicContact OE1-CZ 2.88Å; E467-R523 VanDerWaalsContact OE1-CZ 3.25Å; E467-R523 IonicContact OE1-NE 3.21Å; E467-R523 PolarHBondContact OE1-NE 2.88Å; E467-R523 IonicContact OE1-NH2 2.69Å; E467-R523 PolarHBondContact OE1-NH2 2.95Å; E467-R523 IonicContact OE2-CZ 2.83Å; E467-R523 IonicContact OE2-NE 3.79Å; E467-R523 PolarHBondContact OE2-NE 3.49Å; E467-R523 IonicContact OE2-NH2 2.7Å; E467-R523 PolarHBondContact OE2-NH2 3.05Å; L505-R523 HydrophobicContact CD2-CB 4.12Å; L505-R523 HydrophobicContact CD2-CG 3.76Å; V520-R523 HydrophobicContact CG1-CG 3.74Å
524	I	88.9	Confident	78.7	Confident	7 Å²	7	63.5 Å²	63.5	4%	0.036	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	114.3	170.3	-55.5	-178.6	0	0	0	106.4	L504 M529 V546 L553	L504-I524 PolarHBondContact N-O 2.98Å; L504-I524 PolarHBondContact O-N 3.46Å; I524-M529 HydrophobicContact CB-CE 4.01Å; I524-M529 HydrophobicContact CG2-CE 3.7Å; I524-M529 HydrophobicContact CG2-CG 4.29Å; I524-M529 VanDerWaalsContact O-CE 3.3Å; I524-M529 WeakPolarHBondContact O-CE 3.3Å; I524-V546 HydrophobicContact CD1-CG1 4.05Å; I524-L553 HydrophobicContact CD1-CB 4.45Å; I524-L553 HydrophobicContact CD1-CD1 3.77Å; I524-L553 HydrophobicContact CD1-CG 3.98Å; I524-L553 HydrophobicContact CG1-CD1 4.45Å
525	D	87.4	Confident	79.4	Confident	87 Å²	87	62.1 Å²	62.1	47%	0.465	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	145.9	177.2	-46.2	-56.5	0	0	0	109.7	D527	D525-D527 VanDerWaalsContact C-N 3.28Å; D525-D527 PolarHBondContact O-N 3.33Å
526	V	89.2	Confident	79.5	Confident	3 Å²	3	62.3 Å²	62.3	2%	0.018	32%	0.317	C	S	.	.	S	Bend	trans	-69	-29.1	-178.2	172.5	0	0	0	0	111.6	D502 G528 M529 T573 I574 H577	D502-V526 VanDerWaalsContact C-CG2 3.47Å; D502-V526 WeakPolarHBondContact O-CB 3.46Å; D502-V526 WeakPolarHBondContact O-CG2 3.25Å; D502-V526 PolarHBondContact O-N 3.07Å; V526-G528 PolarHBondContact O-N 3.48Å; V526-M529 HydrophobicContact CG2-CE 4.05Å; V526-M529 WeakPolarHBondContact O-CB 3.45Å; V526-M529 PolarHBondContact O-N 3.32Å; V526-T573 HydrophobicContact CG1-CG2 4.47Å; V526-T573 HydrophobicContact CG2-CG2 4.2Å; V526-I574 HydrophobicContact CG1-CB 4.46Å; V526-I574 HydrophobicContact CG1-CG1 4.07Å; V526-H577 HydrophobicContact CG1-CB 3.61Å
527	D	83.9	Confident	79.2	Confident	75 Å²	75	69.6 Å²	69.6	40%	0.401	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	105.3	170.9	167.9	30.2	0	0	0	111.3	D525 K549	D525-D527 VanDerWaalsContact C-N 3.28Å; D525-D527 PolarHBondContact O-N 3.33Å; D527-K549 WeakPolarHBondContact O-CD 3.45Å; D527-K549 WeakPolarHBondContact O-CE 3.31Å; D527-K549 IonicContact OD1-NZ 4Å; D527-K549 PolarHBondContact OD1-NZ 2.88Å; D527-K549 IonicContact OD2-NZ 3.04Å; D527-K549 PolarHBondContact OD2-NZ 3.35Å
528	G	79.8	Confident	78.6	Confident	40 Å²	40	68 Å²	68	41%	0.412	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	34	-173.8	0	0	0	0	0	113.9	V526 G548	V526-G528 PolarHBondContact O-N 3.48Å; G528-G548 WeakPolarHBondContact O-CA 3.25Å
529	M	90	Very high	77.6	Confident	11 Å²	11	68.1 Å²	68.1	5%	0.054	38%	0.377	C	S	.	.			trans	-81.3	128.1	164	-172.8	-178.4	-68.4	0	0	110.2	L504 I524 V526 V546 S547 I570 I574	L504-M529 HydrophobicContact CB-CE 3.62Å; I524-M529 HydrophobicContact CB-CE 4.01Å; I524-M529 HydrophobicContact CG2-CE 3.7Å; I524-M529 HydrophobicContact CG2-CG 4.29Å; I524-M529 VanDerWaalsContact O-CE 3.3Å; I524-M529 WeakPolarHBondContact O-CE 3.3Å; V526-M529 HydrophobicContact CG2-CE 4.05Å; V526-M529 WeakPolarHBondContact O-CB 3.45Å; V526-M529 PolarHBondContact O-N 3.32Å; M529-V546 HydrophobicContact CE-CG1 4.45Å; M529-V546 HydrophobicContact CG-CG1 3.83Å; M529-V546 HydrophobicContact SD-CG1 3.83Å; M529-S547 CarbonylContact C-O 3.53Å; M529-S547 VanDerWaalsContact CA-O 3.3Å; M529-S547 WeakPolarHBondContact CA-O 3.42Å; M529-S547 WeakPolarHBondContact CG-O 3.48Å; M529-I570 HydrophobicContact SD-CG2 3.81Å; M529-I574 HydrophobicContact CB-CD1 4.16Å; M529-I574 HydrophobicContact CB-CG1 4.25Å; M529-I574 HydrophobicContact CG-CD1 4.11Å; M529-I574 HydrophobicContact SD-CD1 4.25Å; M529-I574 HydrophobicContact SD-CG1 4.43Å
530	E	87.4	Confident	76.8	Confident	101 Å²	101	70 Å²	70	47%	0.472	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	141.4	173.3	-67.9	179.5	-168.1	0	0	110	K532 S547	E530-K532 WeakPolarHBondContact OE2-CE 3.44Å; E530-K532 IonicContact OE2-NZ 2.85Å; E530-K532 PolarHBondContact OE2-NZ 3.39Å; E530-S547 PolarHBondContact N-O 2.91Å; E530-S547 PolarHBondContact O-N 2.84Å
531	L	89.2	Confident	76.1	Confident	34 Å²	34	72 Å²	72	18%	0.178	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.7	175	-172.1	72.4	0	0	0	109.8	F544 V546 I567 I570 Q571	L531-F544 HydrophobicContact CD1-CD2 3.88Å; L531-V546 HydrophobicContact CD1-CG2 3.7Å; L531-I567 HydrophobicContact CD2-CB 4.05Å; L531-I567 HydrophobicContact CD2-CG1 4.08Å; L531-I567 HydrophobicContact CD2-CG2 3.76Å; L531-I570 HydrophobicContact CD1-CD1 4.4Å; L531-I570 HydrophobicContact CD1-CG2 4.34Å; L531-I570 HydrophobicContact CD2-CB 4.4Å; L531-I570 HydrophobicContact CD2-CG2 4.32Å; L531-Q571 HydrophobicContact CD2-CG 3.68Å
532	K	84.7	Confident	76	Confident	106 Å²	106	68.2 Å²	68.2	46%	0.461	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129.6	-179.4	-66.1	176.5	-175	167.5	0	110.1	E530 L545	E530-K532 WeakPolarHBondContact OE2-CE 3.44Å; E530-K532 IonicContact OE2-NZ 2.85Å; E530-K532 PolarHBondContact OE2-NZ 3.39Å; K532-L545 HydrophobicContact CB-CB 4.42Å; K532-L545 PolarHBondContact N-O 3.25Å; K532-L545 PolarHBondContact O-N 3.17Å
533	E	81.2	Confident	76	Confident	105 Å²	105	67.9 Å²	67.9	49%	0.491	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	127.8	172.5	-71.7	-156.7	-136.7	0	0	110.6	S535 K563 I567	E533-S535 PolarHBondContact O-N 3.3Å; E533-K563 WeakPolarHBondContact OE2-CE 3.41Å; E533-K563 IonicContact OE2-NZ 2.63Å; E533-K563 PolarHBondContact OE2-NZ 2.95Å; E533-I567 HydrophobicContact CG-CD1 3.72Å
534	T	68.1	Low	76.1	Confident	36 Å²	36	61.4 Å²	61.4	22%	0.221	36%	0.363	C	S	.	.			trans	-93.1	68.5	-176.4	-49.2	0	0	0	0	110.6	S536 V539	T534-S536 VanDerWaalsContact C-N 3.35Å; T534-S536 PolarHBondContact O-N 2.99Å; T534-V539 HydrophobicContact CG2-CB 4.25Å; T534-V539 HydrophobicContact CG2-CG1 4.05Å; T534-V539 HydrophobicContact CG2-CG2 4.13Å
535	S	58.7	Low	76	Confident	121 Å²	121	63.1 Å²	63.1	85%	0.846	37%	0.372	S	S	*	.			trans	-77.8	80.5	173.8	60.6	0	0	0	0	111.1	E533	E533-S535 PolarHBondContact O-N 3.3Å
536	S	54.3	Low	76.2	Confident	57 Å²	57	59 Å²	59	40%	0.399	35%	0.35	S	S	.	.			trans	-126.6	147.7	171.3	84.6	0	0	0	0	111.3	T534 A538 V539	T534-S536 VanDerWaalsContact C-N 3.35Å; T534-S536 PolarHBondContact O-N 2.99Å; S536-A538 PolarHBondContact O-N 2.79Å; S536-V539 PolarHBondContact O-N 3.04Å; S536-V539 VanDerWaalsContact O-O 3.12Å; S536-V539 WeakPolarHBondContact OG-CG2 3.43Å
537	V	53.6	Low	76.1	Confident	162 Å²	162	59.8 Å²	59.8	98%	0.982	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.7	-175.4	-174.9	0	0	0	0	112.9
538	A	54.1	Low	76.2	Confident	98 Å²	98	57 Å²	57	81%	0.81	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-5	179.2	0	0	0	0	0	114.5	S536	S536-A538 PolarHBondContact O-N 2.79Å
539	V	60	Low	76.2	Confident	34 Å²	34	61.8 Å²	61.8	21%	0.206	36%	0.355	C	S	.	.	S	Bend	trans	-118.3	133.8	-175.9	174.4	0	0	0	0	109.6	T534 S536 S541 T543	T534-V539 HydrophobicContact CG2-CB 4.25Å; T534-V539 HydrophobicContact CG2-CG1 4.05Å; T534-V539 HydrophobicContact CG2-CG2 4.13Å; S536-V539 PolarHBondContact O-N 3.04Å; S536-V539 VanDerWaalsContact O-O 3.12Å; S536-V539 WeakPolarHBondContact OG-CG2 3.43Å; V539-S541 PolarHBondContact O-N 3.13Å; V539-T543 HydrophobicContact CG1-CG2 3.79Å
540	P	62.9	Low	75.3	Confident	55 Å²	55	69.4 Å²	69.4	36%	0.357	39%	0.39	S	S	.	.			trans	-58.3	134.5	177.9	-24.9	34.8	0	0	0	111.9	R542 T543	P540-R542 PolarHBondContact O-N 3.26Å; P540-T543 WeakPolarHBondContact O-CB 3.29Å; P540-T543 PolarHBondContact O-N 3.01Å; P540-T543 PolarHBondContact O-OG1 3.04Å
541	S	67.8	Low	74.9	Confident	72 Å²	72	70.7 Å²	70.7	50%	0.503	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-31.5	-174.9	55.7	0	0	0	0	114.8	V539 T543 E560 K563	V539-S541 PolarHBondContact O-N 3.13Å; S541-T543 PolarHBondContact O-N 3.04Å; S541-E560 WeakPolarHBondContact CB-OE1 3.36Å; S541-E560 PolarHBondContact OG-OE1 3.02Å; S541-K563 WeakPolarHBondContact O-CD 3.36Å; S541-K563 PolarHBondContact O-NZ 3.25Å
542	R	82.6	Confident	74.7	Confident	85 Å²	85	72.4 Å²	72.4	32%	0.321	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	14.6	176.5	-67.9	177.2	-87.4	107	-1.4	115.1	P540 Q556 A557 R558 E560	P540-R542 PolarHBondContact O-N 3.26Å; R542-Q556 HydrophobicContact CB-CG 4.3Å; R542-Q556 WeakPolarHBondContact O-CA 3.45Å; R542-A557 PolarHBondContact NH1-O 2.69Å; R542-A557 PolarHBondContact O-N 3.21Å; R542-R558 WeakPolarHBondContact CD-O 3.23Å; R542-E560 VanDerWaalsContact CG-CD 3.48Å; R542-E560 HydrophobicContact CG-CG 3.84Å; R542-E560 WeakPolarHBondContact CG-OE1 3.28Å; R542-E560 PolarHBondContact N-OE1 3.36Å; R542-E560 VanDerWaalsContact N-OE1 3.12Å
543	T	84.6	Confident	74.8	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	142.9	-174.2	-46.4	0	0	0	0	112.1	L485 V539 P540 S541 E554 L555	L485-T543 HydrophobicContact CD1-CG2 3.79Å; V539-T543 HydrophobicContact CG1-CG2 3.79Å; P540-T543 WeakPolarHBondContact O-CB 3.29Å; P540-T543 PolarHBondContact O-N 3.01Å; P540-T543 PolarHBondContact O-OG1 3.04Å; S541-T543 PolarHBondContact O-N 3.04Å; T543-E554 HydrophobicContact CG2-CG 3.74Å; T543-L555 CarbonylContact C-O 3.22Å; T543-L555 WeakPolarHBondContact CA-O 3.45Å; T543-L555 WeakPolarHBondContact CG2-O 3.28Å
544	F	89.3	Confident	75.1	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	156.5	175.3	61.5	-84.1	0	0	0	111.2	I482 L531 V546 L555 K563 W566 I567 I570	I482-F544 HydrophobicContact CD1-CE1 4.13Å; I482-F544 HydrophobicContact CD1-CZ 4.14Å; L531-F544 HydrophobicContact CD1-CD2 3.88Å; F544-V546 HydrophobicContact CD2-CG2 4.02Å; F544-V546 HydrophobicContact CE2-CG2 3.88Å; F544-L555 HydrophobicContact CD2-CB 4.31Å; F544-L555 HydrophobicContact CE1-CB 4.2Å; F544-L555 HydrophobicContact CE2-CB 3.93Å; F544-L555 HydrophobicContact CE2-CD1 3.86Å; F544-L555 HydrophobicContact CZ-CB 3.87Å; F544-L555 HydrophobicContact CZ-CD1 4.29Å; F544-L555 PolarHBondContact N-O 3.24Å; F544-L555 PolarHBondContact O-N 3.36Å; F544-L555 VanDerWaalsContact O-O 3.11Å; F544-K563 HydrophobicContact CD1-CG 4.08Å; F544-W566 HydrophobicContact CE1-CB 4.39Å; F544-W566 HydrophobicContact CZ-CB 3.91Å; F544-W566 HydrophobicContact CZ-CG 4.4Å; F544-I567 HydrophobicContact CB-CD1 4.21Å; F544-I567 HydrophobicContact CB-CG1 4.39Å; F544-I567 HydrophobicContact CG-CG1 4.3Å; F544-I570 HydrophobicContact CE2-CD1 4.26Å
545	L	88	Confident	76.1	Confident	43 Å²	43	63.2 Å²	63.2	23%	0.225	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	115.3	-179	179.7	67.8	0	0	0	110	K532 E554	K532-L545 HydrophobicContact CB-CB 4.42Å; K532-L545 PolarHBondContact N-O 3.25Å; K532-L545 PolarHBondContact O-N 3.17Å; L545-E554 HydrophobicContact CD1-CB 4.17Å
546	V	90.6	Very high	77.5	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	119.6	166	-176.4	0	0	0	0	108.1	L504 I524 M529 L531 F544 S552 L553 L555 I570	L504-V546 HydrophobicContact CD2-CB 4.42Å; L504-V546 HydrophobicContact CD2-CG1 3.89Å; L504-V546 HydrophobicContact CD2-CG2 4.26Å; I524-V546 HydrophobicContact CD1-CG1 4.05Å; M529-V546 HydrophobicContact CE-CG1 4.45Å; M529-V546 HydrophobicContact CG-CG1 3.83Å; M529-V546 HydrophobicContact SD-CG1 3.83Å; L531-V546 HydrophobicContact CD1-CG2 3.7Å; F544-V546 HydrophobicContact CD2-CG2 4.02Å; F544-V546 HydrophobicContact CE2-CG2 3.88Å; V546-S552 CarbonylContact O-C 3.22Å; V546-S552 VanDerWaalsContact O-CA 3.29Å; V546-S552 WeakPolarHBondContact O-CA 3.26Å; V546-L553 PolarHBondContact N-O 3.3Å; V546-L553 PolarHBondContact O-N 3.27Å; V546-L555 HydrophobicContact CB-CD1 4.39Å; V546-L555 HydrophobicContact CG2-CD1 3.83Å; V546-I570 HydrophobicContact CG2-CD1 3.91Å
547	S	87.3	Confident	79.2	Confident	21 Å²	21	55.2 Å²	55.2	15%	0.147	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	154.3	173.4	-59.2	0	0	0	0	110.1	M529 E530 S552	M529-S547 CarbonylContact C-O 3.53Å; M529-S547 VanDerWaalsContact CA-O 3.3Å; M529-S547 WeakPolarHBondContact CA-O 3.42Å; M529-S547 WeakPolarHBondContact CG-O 3.48Å; E530-S547 PolarHBondContact N-O 2.91Å; E530-S547 PolarHBondContact O-N 2.84Å; S547-S552 WeakPolarHBondContact OG-CB 3.5Å
548	G	86.3	Confident	80.8	Confident	16 Å²	16	53.5 Å²	53.5	17%	0.165	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	176.7	165.2	0	0	0	0	0	110.9	G528 Q550 R551	G528-G548 WeakPolarHBondContact O-CA 3.25Å; G548-Q550 PolarHBondContact O-N 3.49Å; G548-R551 PolarHBondContact N-O 2.94Å; G548-R551 PolarHBondContact O-N 3.39Å; G548-R551 VanDerWaalsContact O-N 3.08Å; G548-R551 VanDerWaalsContact O-O 3.08Å
549	K	78.8	Confident	82.4	Confident	140 Å²	140	51.7 Å²	51.7	61%	0.609	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.8	-26.3	-165	-63.3	-178.3	-179.9	175.5	0	117.1	D527	D527-K549 WeakPolarHBondContact O-CD 3.45Å; D527-K549 WeakPolarHBondContact O-CE 3.31Å; D527-K549 IonicContact OD1-NZ 4Å; D527-K549 PolarHBondContact OD1-NZ 2.88Å; D527-K549 IonicContact OD2-NZ 3.04Å; D527-K549 PolarHBondContact OD2-NZ 3.35Å
550	Q	71.1	Confident	83.7	Confident	172 Å²	172	52.3 Å²	52.3	80%	0.804	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	-19.9	-179.2	-59.1	-174.3	17	0	0	115.2	G548	G548-Q550 PolarHBondContact O-N 3.49Å
551	R	79.4	Confident	84.9	Confident	127 Å²	127	55.2 Å²	55.2	48%	0.479	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	153.2	-169.9	-66.8	-169.5	-179.3	-175.8	5	111.9	R521 G548	R521-R551 PolarHBondContact O-NH1 2.7Å; G548-R551 PolarHBondContact N-O 2.94Å; G548-R551 PolarHBondContact O-N 3.39Å; G548-R551 VanDerWaalsContact O-N 3.08Å; G548-R551 VanDerWaalsContact O-O 3.08Å
552	S	85.7	Confident	86	Confident	70 Å²	70	54.1 Å²	54.1	49%	0.49	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	155.3	166	60.9	0	0	0	0	112.2	V546 S547	V546-S552 CarbonylContact O-C 3.22Å; V546-S552 VanDerWaalsContact O-CA 3.29Å; V546-S552 WeakPolarHBondContact O-CA 3.26Å; S547-S552 WeakPolarHBondContact OG-CB 3.5Å
553	L	86.8	Confident	86.3	Confident	9 Å²	9	51 Å²	51	5%	0.047	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	109.7	-178.2	-68.8	174.5	0	0	0	109.2	Y506 A522 I524 V546 L555	Y506-L553 VanDerWaalsContact CB-CD1 3.43Å; Y506-L553 HydrophobicContact CD1-CD1 4.33Å; Y506-L553 HydrophobicContact CD1-CD2 4.22Å; Y506-L553 HydrophobicContact CD2-CD1 4.05Å; Y506-L553 HydrophobicContact CD2-CD2 4.45Å; Y506-L553 HydrophobicContact CE1-CD2 4.46Å; Y506-L553 HydrophobicContact CG-CD1 3.68Å; Y506-L553 HydrophobicContact CG-CD2 4.23Å; A522-L553 HydrophobicContact CB-CD1 4.42Å; I524-L553 HydrophobicContact CD1-CB 4.45Å; I524-L553 HydrophobicContact CD1-CD1 3.77Å; I524-L553 HydrophobicContact CD1-CG 3.98Å; I524-L553 HydrophobicContact CG1-CD1 4.45Å; V546-L553 PolarHBondContact N-O 3.3Å; V546-L553 PolarHBondContact O-N 3.27Å; L553-L555 HydrophobicContact CB-CD1 4.18Å; L553-L555 HydrophobicContact CB-CD2 4.35Å; L553-L555 HydrophobicContact CB-CG 4.1Å
554	E	87.9	Confident	86.6	Confident	45 Å²	45	57.3 Å²	57.3	21%	0.21	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	127.8	164.4	-172.9	169.9	-141	0	0	109.3	L485 T543 L545	L485-E554 HydrophobicContact CD1-CG 4.41Å; T543-E554 HydrophobicContact CG2-CG 3.74Å; L545-E554 HydrophobicContact CD1-CB 4.17Å
555	L	88.8	Confident	86.8	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	141.5	-165.4	-65.4	169.1	0	0	0	109.5	I482 L497 Y506 T543 F544 V546 L553	I482-L555 HydrophobicContact CG1-CB 4.12Å; I482-L555 HydrophobicContact CG1-CD2 4.3Å; I482-L555 HydrophobicContact CG2-CD2 4Å; L497-L555 HydrophobicContact CD1-CD1 4.01Å; L497-L555 HydrophobicContact CD2-CD1 4.32Å; Y506-L555 HydrophobicContact CD2-CD2 4.22Å; Y506-L555 HydrophobicContact CE2-CD2 4.3Å; T543-L555 CarbonylContact C-O 3.22Å; T543-L555 WeakPolarHBondContact CA-O 3.45Å; T543-L555 WeakPolarHBondContact CG2-O 3.28Å; F544-L555 HydrophobicContact CD2-CB 4.31Å; F544-L555 HydrophobicContact CE1-CB 4.2Å; F544-L555 HydrophobicContact CE2-CB 3.93Å; F544-L555 HydrophobicContact CE2-CD1 3.86Å; F544-L555 HydrophobicContact CZ-CB 3.87Å; F544-L555 HydrophobicContact CZ-CD1 4.29Å; F544-L555 PolarHBondContact N-O 3.24Å; F544-L555 PolarHBondContact O-N 3.36Å; F544-L555 VanDerWaalsContact O-O 3.11Å; V546-L555 HydrophobicContact CB-CD1 4.39Å; V546-L555 HydrophobicContact CG2-CD1 3.83Å; L553-L555 HydrophobicContact CB-CD1 4.18Å; L553-L555 HydrophobicContact CB-CD2 4.35Å; L553-L555 HydrophobicContact CB-CG 4.1Å
556	Q	88.3	Confident	87	Confident	11 Å²	11	59.2 Å²	59.2	5%	0.051	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	127.5	-176.9	-176.3	-171.2	33.8	0	0	110.2	I482 L483 L485 R542	I482-Q556 WeakPolarHBondContact CD1-O 3.36Å; I482-Q556 WeakPolarHBondContact CG1-O 3.29Å; L483-Q556 HydrophobicContact CB-CB 4.19Å; L483-Q556 WeakPolarHBondContact CB-O 3.28Å; L483-Q556 PolarHBondContact N-O 2.69Å; L483-Q556 PolarHBondContact O-N 3.23Å; L485-Q556 HydrophobicContact CG-CB 4.47Å; R542-Q556 HydrophobicContact CB-CG 4.3Å; R542-Q556 WeakPolarHBondContact O-CA 3.45Å
557	A	89.6	Confident	87.1	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.285	C	S	.	.			trans	-82.2	158.7	173.7	0	0	0	0	0	112	I482 R542 T559 E562 K563	I482-A557 HydrophobicContact CD1-CB 4.35Å; R542-A557 PolarHBondContact NH1-O 2.69Å; R542-A557 PolarHBondContact O-N 3.21Å; A557-T559 VanDerWaalsContact CB-O 3.27Å; A557-T559 WeakPolarHBondContact CB-O 3.34Å; A557-E562 HydrophobicContact CB-CB 4.09Å; A557-E562 HydrophobicContact CB-CG 4.06Å; A557-K563 HydrophobicContact CB-CB 3.76Å
558	R	87.2	Confident	87.4	Confident	125 Å²	125	65 Å²	65	47%	0.472	31%	0.308	S	S	.	.	S	Bend	trans	-72.3	-37.2	175.8	-59.6	176.6	173.1	-171.5	0.2	110.5	D494 R542 E562	D494-R558 IonicContact OD1-CZ 3.76Å; D494-R558 IonicContact OD1-NH2 2.71Å; D494-R558 PolarHBondContact OD1-NH2 2.93Å; D494-R558 IonicContact OD2-NH2 3.98Å; R542-R558 WeakPolarHBondContact CD-O 3.23Å; R558-E562 WeakPolarHBondContact CA-OE2 3.44Å; R558-E562 VanDerWaalsContact CB-OE2 3.24Å; R558-E562 WeakPolarHBondContact CB-OE2 3.48Å; R558-E562 WeakPolarHBondContact CG-OE2 3.33Å; R558-E562 PolarHBondContact N-OE2 2.87Å
559	T	88.1	Confident	87.7	Confident	61 Å²	61	65.1 Å²	65.1	37%	0.374	31%	0.307	S	S	.	.	S	Bend	trans	-127.6	169.8	174.3	88.6	0	0	0	0	112.4	A557 E561 E562 K563	A557-T559 VanDerWaalsContact CB-O 3.27Å; A557-T559 WeakPolarHBondContact CB-O 3.34Å; T559-E561 VanDerWaalsContact C-N 3.32Å; T559-E561 WeakPolarHBondContact CB-OE2 3.32Å; T559-E561 PolarHBondContact OG1-N 3.3Å; T559-E561 PolarHBondContact OG1-OE2 3.12Å; T559-E562 PolarHBondContact OG1-N 3.05Å; T559-E562 VanDerWaalsContact OG1-N 3.15Å; T559-K563 PolarHBondContact O-N 3.05Å
560	E	86.6	Confident	88.4	Confident	46 Å²	46	58.5 Å²	58.5	22%	0.215	28%	0.278	C	S	.	.	H	α-helix	trans	-73.2	-28.2	175.3	-72.5	-66.4	164.1	0	0	112.1	S541 R542 K563 K564	S541-E560 WeakPolarHBondContact CB-OE1 3.36Å; S541-E560 PolarHBondContact OG-OE1 3.02Å; R542-E560 VanDerWaalsContact CG-CD 3.48Å; R542-E560 HydrophobicContact CG-CG 3.84Å; R542-E560 WeakPolarHBondContact CG-OE1 3.28Å; R542-E560 PolarHBondContact N-OE1 3.36Å; R542-E560 VanDerWaalsContact N-OE1 3.12Å; E560-K563 WeakPolarHBondContact O-CB 3.43Å; E560-K563 PolarHBondContact O-N 2.74Å; E560-K563 WeakPolarHBondContact OE2-CD 3.46Å; E560-K563 IonicContact OE2-NZ 2.68Å; E560-K564 VanDerWaalsContact O-CG 3.3Å; E560-K564 WeakPolarHBondContact O-CG 3.31Å; E560-K564 PolarHBondContact O-N 3.11Å
561	E	88.3	Confident	89.4	Confident	116 Å²	116	54.4 Å²	54.4	54%	0.542	26%	0.259	S	S	.	.	H	α-helix	trans	-68	-49.5	176.1	-56	63.3	-130.2	0	0	108.6	T559 K563 K564 D565	T559-E561 VanDerWaalsContact C-N 3.32Å; T559-E561 WeakPolarHBondContact CB-OE2 3.32Å; T559-E561 PolarHBondContact OG1-N 3.3Å; T559-E561 PolarHBondContact OG1-OE2 3.12Å; E561-K563 VanDerWaalsContact C-N 3.27Å; E561-K563 PolarHBondContact O-N 3.44Å; E561-K564 PolarHBondContact O-N 3.11Å; E561-K564 VanDerWaalsContact O-N 3.12Å; E561-D565 WeakPolarHBondContact O-CB 3.43Å; E561-D565 PolarHBondContact O-N 3.26Å
562	E	90.2	Very high	90.1	Very high	50 Å²	50	50 Å²	50	23%	0.234	25%	0.25	C	C	.	.	H	α-helix	trans	-59.3	-36.5	174.1	-177.7	179.8	-126.7	0	0	112	A557 R558 T559 D565 W566	A557-E562 HydrophobicContact CB-CB 4.09Å; A557-E562 HydrophobicContact CB-CG 4.06Å; R558-E562 WeakPolarHBondContact CA-OE2 3.44Å; R558-E562 VanDerWaalsContact CB-OE2 3.24Å; R558-E562 WeakPolarHBondContact CB-OE2 3.48Å; R558-E562 WeakPolarHBondContact CG-OE2 3.33Å; R558-E562 PolarHBondContact N-OE2 2.87Å; T559-E562 PolarHBondContact OG1-N 3.05Å; T559-E562 VanDerWaalsContact OG1-N 3.15Å; E562-D565 WeakPolarHBondContact O-CB 3.35Å; E562-W566 PolarHBondContact O-N 3.49Å
563	K	89.9	Confident	90.4	Very high	20 Å²	20	46.8 Å²	46.8	9%	0.087	23%	0.227	C	C	.	.	H	α-helix	trans	-60.2	-54	171.6	171.6	-175.9	165.9	-159.1	0	111.1	E533 S541 F544 A557 T559 E560 E561 D565 W566 I567	E533-K563 WeakPolarHBondContact OE2-CE 3.41Å; E533-K563 IonicContact OE2-NZ 2.63Å; E533-K563 PolarHBondContact OE2-NZ 2.95Å; S541-K563 WeakPolarHBondContact O-CD 3.36Å; S541-K563 PolarHBondContact O-NZ 3.25Å; F544-K563 HydrophobicContact CD1-CG 4.08Å; A557-K563 HydrophobicContact CB-CB 3.76Å; T559-K563 PolarHBondContact O-N 3.05Å; E560-K563 WeakPolarHBondContact O-CB 3.43Å; E560-K563 PolarHBondContact O-N 2.74Å; E560-K563 WeakPolarHBondContact OE2-CD 3.46Å; E560-K563 IonicContact OE2-NZ 2.68Å; E561-K563 VanDerWaalsContact C-N 3.27Å; E561-K563 PolarHBondContact O-N 3.44Å; K563-D565 VanDerWaalsContact C-N 3.29Å; K563-D565 PolarHBondContact O-N 2.8Å; K563-W566 PolarHBondContact O-N 2.9Å; K563-I567 HydrophobicContact CD-CD1 4.22Å; K563-I567 HydrophobicContact CG-CD1 3.59Å; K563-I567 HydrophobicContact CG-CG1 4.3Å; K563-I567 WeakPolarHBondContact O-CB 3.42Å; K563-I567 VanDerWaalsContact O-CG1 3.28Å; K563-I567 WeakPolarHBondContact O-CG1 3.19Å; K563-I567 PolarHBondContact O-N 3.46Å
564	K	90.3	Very high	90.5	Very high	131 Å²	131	47.4 Å²	47.4	57%	0.57	23%	0.23	S	C	*	.	H	α-helix	trans	-58.1	-43	179.8	-70.6	163	-175.3	170	0	111.3	E560 E561 W566 I567 Q568	E560-K564 VanDerWaalsContact O-CG 3.3Å; E560-K564 WeakPolarHBondContact O-CG 3.31Å; E560-K564 PolarHBondContact O-N 3.11Å; E561-K564 PolarHBondContact O-N 3.11Å; E561-K564 VanDerWaalsContact O-N 3.12Å; K564-W566 PolarHBondContact O-N 2.76Å; K564-I567 PolarHBondContact O-N 3.47Å; K564-Q568 VanDerWaalsContact O-CB 3.31Å; K564-Q568 WeakPolarHBondContact O-CB 3.38Å; K564-Q568 PolarHBondContact O-N 3.18Å
565	D	93	Very high	90.6	Very high	80 Å²	80	50.5 Å²	50.5	43%	0.428	25%	0.245	S	C	.	.	H	α-helix	trans	-56	-46.3	175.4	-115.1	50.9	0	0	0	113.1	K478 E561 E562 K563 A569	K478-D565 IonicContact NZ-OD2 2.64Å; K478-D565 PolarHBondContact NZ-OD2 2.93Å; E561-D565 WeakPolarHBondContact O-CB 3.43Å; E561-D565 PolarHBondContact O-N 3.26Å; E562-D565 WeakPolarHBondContact O-CB 3.35Å; K563-D565 VanDerWaalsContact C-N 3.29Å; K563-D565 PolarHBondContact O-N 2.8Å; D565-A569 VanDerWaalsContact O-CB 3.26Å; D565-A569 WeakPolarHBondContact O-CB 3.45Å; D565-A569 PolarHBondContact O-N 3.42Å; D565-A569 VanDerWaalsContact O-N 3.13Å
566	W	93.6	Very high	90.5	Very high	3 Å²	3	56.5 Å²	56.5	1%	0.011	27%	0.267	C	S	.	.	H	α-helix	trans	-71.1	-41.9	176.9	-83.8	112.6	0	0	0	112.1	K478 L497 L499 F544 E562 K563 K564 A569 I570	K478-W566 HydrophobicContact CB-CE3 4.47Å; K478-W566 HydrophobicContact CB-CH2 4.06Å; K478-W566 HydrophobicContact CB-CZ3 3.83Å; K478-W566 HydrophobicContact CD-CD2 3.86Å; K478-W566 HydrophobicContact CD-CE3 3.7Å; K478-W566 HydrophobicContact CD-CH2 4.12Å; K478-W566 HydrophobicContact CD-CZ2 4.27Å; K478-W566 HydrophobicContact CD-CZ3 3.84Å; K478-W566 HydrophobicContact CG-CE3 4.28Å; K478-W566 HydrophobicContact CG-CH2 3.83Å; K478-W566 HydrophobicContact CG-CZ2 4.19Å; K478-W566 HydrophobicContact CG-CZ3 3.88Å; L497-W566 HydrophobicContact CB-CH2 3.63Å; L497-W566 HydrophobicContact CB-CZ2 4Å; L497-W566 HydrophobicContact CB-CZ3 4.07Å; L497-W566 HydrophobicContact CD1-CD2 4.49Å; L499-W566 HydrophobicContact CB-CZ3 4.22Å; F544-W566 HydrophobicContact CE1-CB 4.39Å; F544-W566 HydrophobicContact CZ-CB 3.91Å; F544-W566 HydrophobicContact CZ-CG 4.4Å; E562-W566 PolarHBondContact O-N 3.49Å; K563-W566 PolarHBondContact O-N 2.9Å; K564-W566 PolarHBondContact O-N 2.76Å; W566-A569 PolarHBondContact O-N 3.19Å; W566-I570 WeakPolarHBondContact O-CB 3.22Å; W566-I570 WeakPolarHBondContact O-CD1 3.43Å; W566-I570 VanDerWaalsContact O-CG1 3.25Å; W566-I570 WeakPolarHBondContact O-CG1 3.44Å; W566-I570 PolarHBondContact O-N 3.03Å
567	I	91.6	Very high	90.3	Very high	9 Å²	9	58 Å²	58	5%	0.046	27%	0.274	C	S	.	.	H	α-helix	trans	-59.8	-51	178.2	-73.4	177.1	0	0	0	110.6	L531 E533 F544 K563 K564 A569 I570 Q571	L531-I567 HydrophobicContact CD2-CB 4.05Å; L531-I567 HydrophobicContact CD2-CG1 4.08Å; L531-I567 HydrophobicContact CD2-CG2 3.76Å; E533-I567 HydrophobicContact CG-CD1 3.72Å; F544-I567 HydrophobicContact CB-CD1 4.21Å; F544-I567 HydrophobicContact CB-CG1 4.39Å; F544-I567 HydrophobicContact CG-CG1 4.3Å; K563-I567 HydrophobicContact CD-CD1 4.22Å; K563-I567 HydrophobicContact CG-CD1 3.59Å; K563-I567 HydrophobicContact CG-CG1 4.3Å; K563-I567 WeakPolarHBondContact O-CB 3.42Å; K563-I567 VanDerWaalsContact O-CG1 3.28Å; K563-I567 WeakPolarHBondContact O-CG1 3.19Å; K563-I567 PolarHBondContact O-N 3.46Å; K564-I567 PolarHBondContact O-N 3.47Å; I567-A569 PolarHBondContact O-N 3.08Å; I567-I570 PolarHBondContact O-N 3.43Å; I567-Q571 WeakPolarHBondContact O-CB 3.37Å; I567-Q571 WeakPolarHBondContact O-CG 3.48Å; I567-Q571 PolarHBondContact O-N 3.49Å
568	Q	93.2	Very high	90	Very high	135 Å²	135	63.1 Å²	63.1	63%	0.631	30%	0.298	S	S	*	.	H	α-helix	trans	-62.3	-43.8	179.1	-170.9	-177.7	23.6	0	0	111.6	K564 I570 A572	K564-Q568 VanDerWaalsContact O-CB 3.31Å; K564-Q568 WeakPolarHBondContact O-CB 3.38Å; K564-Q568 PolarHBondContact O-N 3.18Å; Q568-I570 PolarHBondContact O-N 2.95Å; Q568-A572 WeakPolarHBondContact O-CB 3.38Å; Q568-A572 PolarHBondContact O-N 3.03Å
569	A	93.3	Very high	89.7	Confident	18 Å²	18	63.1 Å²	63.1	15%	0.149	30%	0.304	C	S	.	.	H	α-helix	trans	-62.9	-40.6	178.2	0	0	0	0	0	112.5	K478 L499 D565 W566 I567 T573	K478-A569 HydrophobicContact CD-CB 3.84Å; L499-A569 HydrophobicContact CD2-CB 4.15Å; D565-A569 VanDerWaalsContact O-CB 3.26Å; D565-A569 WeakPolarHBondContact O-CB 3.45Å; D565-A569 PolarHBondContact O-N 3.42Å; D565-A569 VanDerWaalsContact O-N 3.13Å; W566-A569 PolarHBondContact O-N 3.19Å; I567-A569 PolarHBondContact O-N 3.08Å; A569-T573 WeakPolarHBondContact O-CB 3.3Å; A569-T573 PolarHBondContact O-N 3.14Å; A569-T573 VanDerWaalsContact O-N 3.17Å; A569-T573 PolarHBondContact O-OG1 3.03Å
570	I	93.6	Very high	89.1	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-68.8	-50.1	177.5	-68	166.7	0	0	0	110.5	L499 M529 L531 F544 V546 W566 I567 Q568 A572 T573 I574	L499-I570 HydrophobicContact CD1-CG1 4.4Å; L499-I570 HydrophobicContact CD2-CG1 3.89Å; M529-I570 HydrophobicContact SD-CG2 3.81Å; L531-I570 HydrophobicContact CD1-CD1 4.4Å; L531-I570 HydrophobicContact CD1-CG2 4.34Å; L531-I570 HydrophobicContact CD2-CB 4.4Å; L531-I570 HydrophobicContact CD2-CG2 4.32Å; F544-I570 HydrophobicContact CE2-CD1 4.26Å; V546-I570 HydrophobicContact CG2-CD1 3.91Å; W566-I570 WeakPolarHBondContact O-CB 3.22Å; W566-I570 WeakPolarHBondContact O-CD1 3.43Å; W566-I570 VanDerWaalsContact O-CG1 3.25Å; W566-I570 WeakPolarHBondContact O-CG1 3.44Å; W566-I570 PolarHBondContact O-N 3.03Å; I567-I570 PolarHBondContact O-N 3.43Å; Q568-I570 PolarHBondContact O-N 2.95Å; I570-A572 PolarHBondContact O-N 3.29Å; I570-T573 WeakPolarHBondContact O-CA 3.36Å; I570-T573 WeakPolarHBondContact O-CB 3.33Å; I570-T573 PolarHBondContact O-N 3.38Å; I570-I574 HydrophobicContact CG2-CD1 3.8Å; I570-I574 HydrophobicContact CG2-CG1 4.49Å; I570-I574 WeakPolarHBondContact O-CG1 3.22Å; I570-I574 PolarHBondContact O-N 2.95Å
571	Q	92.4	Very high	88.3	Confident	87 Å²	87	64.4 Å²	64.4	41%	0.407	31%	0.31	S	S	.	.	H	α-helix	trans	-58.3	-47.9	178.3	-73.7	171.9	-19.4	0	0	112.3	L531 I567 T573 I574 Q575	L531-Q571 HydrophobicContact CD2-CG 3.68Å; I567-Q571 WeakPolarHBondContact O-CB 3.37Å; I567-Q571 WeakPolarHBondContact O-CG 3.48Å; I567-Q571 PolarHBondContact O-N 3.49Å; Q571-T573 PolarHBondContact O-N 2.94Å; Q571-I574 PolarHBondContact O-N 3.37Å; Q571-Q575 WeakPolarHBondContact O-CG 3.31Å; Q571-Q575 PolarHBondContact O-N 3.22Å
572	A	92.7	Very high	87.3	Confident	34 Å²	34	65 Å²	65	28%	0.281	31%	0.314	S	S	.	.	H	α-helix	trans	-67.5	-15.6	177.7	0	0	0	0	0	113.1	Q568 I570 R576	Q568-A572 WeakPolarHBondContact O-CB 3.38Å; Q568-A572 PolarHBondContact O-N 3.03Å; I570-A572 PolarHBondContact O-N 3.29Å; A572-R576 WeakPolarHBondContact O-CB 3.12Å; A572-R576 PolarHBondContact O-NH1 3.31Å
573	T	91.9	Very high	85.7	Confident	3 Å²	3	65.5 Å²	65.5	2%	0.018	32%	0.322	C	S	.	.	H	α-helix	trans	-84.2	-45.1	172.3	-59.8	0	0	0	0	111.1	I477 L499 V526 A569 I570 Q571 R576 H577	I477-T573 HydrophobicContact CG1-CG2 4.38Å; L499-T573 HydrophobicContact CD1-CG2 4.35Å; V526-T573 HydrophobicContact CG1-CG2 4.47Å; V526-T573 HydrophobicContact CG2-CG2 4.2Å; A569-T573 WeakPolarHBondContact O-CB 3.3Å; A569-T573 PolarHBondContact O-N 3.14Å; A569-T573 VanDerWaalsContact O-N 3.17Å; A569-T573 PolarHBondContact O-OG1 3.03Å; I570-T573 WeakPolarHBondContact O-CA 3.36Å; I570-T573 WeakPolarHBondContact O-CB 3.33Å; I570-T573 PolarHBondContact O-N 3.38Å; Q571-T573 PolarHBondContact O-N 2.94Å; T573-R576 PolarHBondContact O-N 2.94Å; T573-H577 WeakPolarHBondContact O-CB 3.31Å; T573-H577 PolarHBondContact O-N 2.86Å
574	I	90.9	Very high	83.8	Confident	22 Å²	22	70.8 Å²	70.8	11%	0.113	35%	0.345	C	S	.	.	H	α-helix	trans	-57.1	-53.6	175.2	-63.8	161.1	0	0	0	110.2	V526 M529 I570 Q571 R576 H577 E578	V526-I574 HydrophobicContact CG1-CB 4.46Å; V526-I574 HydrophobicContact CG1-CG1 4.07Å; M529-I574 HydrophobicContact CB-CD1 4.16Å; M529-I574 HydrophobicContact CB-CG1 4.25Å; M529-I574 HydrophobicContact CG-CD1 4.11Å; M529-I574 HydrophobicContact SD-CD1 4.25Å; M529-I574 HydrophobicContact SD-CG1 4.43Å; I570-I574 HydrophobicContact CG2-CD1 3.8Å; I570-I574 HydrophobicContact CG2-CG1 4.49Å; I570-I574 WeakPolarHBondContact O-CG1 3.22Å; I570-I574 PolarHBondContact O-N 2.95Å; Q571-I574 PolarHBondContact O-N 3.37Å; I574-R576 VanDerWaalsContact C-N 3.31Å; I574-R576 PolarHBondContact O-N 3.35Å; I574-H577 WeakPolarHBondContact O-CA 3.31Å; I574-H577 WeakPolarHBondContact O-CB 3.48Å; I574-H577 PolarHBondContact O-N 3.25Å; I574-E578 HydrophobicContact CG2-CG 4.45Å; I574-E578 WeakPolarHBondContact O-CG 3.5Å; I574-E578 PolarHBondContact O-N 2.75Å
575	Q	89.4	Confident	82	Confident	110 Å²	110	73 Å²	73	51%	0.514	35%	0.35	S	S	.	.	H	α-helix	trans	-57.7	-40.5	179.9	-69.6	171	-5.6	0	0	112.9	Q571 E578 Q579	Q571-Q575 WeakPolarHBondContact O-CG 3.31Å; Q571-Q575 PolarHBondContact O-N 3.22Å; Q575-E578 PolarHBondContact O-N 3.21Å; Q575-Q579 WeakPolarHBondContact O-CB 3.47Å; Q575-Q579 VanDerWaalsContact O-CG 3.23Å; Q575-Q579 WeakPolarHBondContact O-CG 3.37Å; Q575-Q579 PolarHBondContact O-N 3.34Å
576	R	86.4	Confident	79.8	Confident	125 Å²	125	75.8 Å²	75.8	47%	0.472	36%	0.36	S	S	.	.	H	α-helix	trans	-68.6	-37	177.3	-175.8	177.6	-63.1	88.8	13.4	111.8	A572 T573 I574 T580	A572-R576 WeakPolarHBondContact O-CB 3.12Å; A572-R576 PolarHBondContact O-NH1 3.31Å; T573-R576 PolarHBondContact O-N 2.94Å; I574-R576 VanDerWaalsContact C-N 3.31Å; I574-R576 PolarHBondContact O-N 3.35Å; R576-T580 WeakPolarHBondContact O-CB 3.47Å; R576-T580 PolarHBondContact O-N 2.86Å; R576-T580 PolarHBondContact O-OG1 3.19Å
577	H	83	Confident	77.1	Confident	42 Å²	42	80.3 Å²	80.3	19%	0.194	38%	0.384	C	S	.	.	H	α-helix	trans	-65	-44.2	175.4	-168.6	99.5	0	0	0	110.9	N501 V526 T573 I574 T580 M581	N501-H577 PolarHBondContact O-ND1 3.36Å; V526-H577 HydrophobicContact CG1-CB 3.61Å; T573-H577 WeakPolarHBondContact O-CB 3.31Å; T573-H577 PolarHBondContact O-N 2.86Å; I574-H577 WeakPolarHBondContact O-CA 3.31Å; I574-H577 WeakPolarHBondContact O-CB 3.48Å; I574-H577 PolarHBondContact O-N 3.25Å; H577-T580 PolarHBondContact O-N 3.31Å; H577-M581 WeakPolarHBondContact O-CG 3.39Å; H577-M581 PolarHBondContact O-N 3.1Å
578	E	84.8	Confident	74.5	Confident	109 Å²	109	83.7 Å²	83.7	51%	0.509	41%	0.405	S	S	.	.	H	α-helix	trans	-60.4	-52.1	175	-68.7	170.6	144	0	0	111.9	I574 Q575 T580 M581 E582	I574-E578 HydrophobicContact CG2-CG 4.45Å; I574-E578 WeakPolarHBondContact O-CG 3.5Å; I574-E578 PolarHBondContact O-N 2.75Å; Q575-E578 PolarHBondContact O-N 3.21Å; E578-T580 PolarHBondContact O-N 3.09Å; E578-M581 PolarHBondContact O-N 2.97Å; E578-M581 VanDerWaalsContact O-N 3.15Å; E578-E582 WeakPolarHBondContact O-CB 3.31Å; E578-E582 PolarHBondContact O-N 2.64Å
579	Q	80.5	Confident	71.9	Confident	124 Å²	124	81.2 Å²	81.2	58%	0.579	40%	0.402	S	S	*	.	H	α-helix	trans	-58	-36	175.6	-71.3	167	-0.2	0	0	112.7	Q575 S583	Q575-Q579 WeakPolarHBondContact O-CB 3.47Å; Q575-Q579 VanDerWaalsContact O-CG 3.23Å; Q575-Q579 WeakPolarHBondContact O-CG 3.37Å; Q575-Q579 PolarHBondContact O-N 3.34Å; Q579-S583 WeakPolarHBondContact O-CB 3.4Å; Q579-S583 PolarHBondContact O-N 2.89Å; Q579-S583 PolarHBondContact O-OG 2.96Å
580	T	74.8	Confident	69.1	Low	61 Å²	61	85 Å²	85	37%	0.374	42%	0.424	S	S	.	.	H	α-helix	trans	-71.1	-43.9	176.9	-63.2	0	0	0	0	110.9	R576 H577 E578 E582 S583 F584	R576-T580 WeakPolarHBondContact O-CB 3.47Å; R576-T580 PolarHBondContact O-N 2.86Å; R576-T580 PolarHBondContact O-OG1 3.19Å; H577-T580 PolarHBondContact O-N 3.31Å; E578-T580 PolarHBondContact O-N 3.09Å; T580-E582 VanDerWaalsContact C-N 3.34Å; T580-E582 PolarHBondContact O-N 2.86Å; T580-S583 WeakPolarHBondContact CA-OG 3.49Å; T580-S583 PolarHBondContact O-OG 2.79Å; T580-S583 VanDerWaalsContact O-OG 3.1Å; T580-F584 HydrophobicContact CG2-CD2 3.67Å; T580-F584 HydrophobicContact CG2-CE2 3.6Å; T580-F584 WeakPolarHBondContact O-CB 3.11Å; T580-F584 WeakPolarHBondContact O-CD2 3.39Å; T580-F584 PolarHBondContact O-N 2.62Å
581	M	70	Confident	66.4	Low	73 Å²	73	92.4 Å²	92.4	36%	0.36	46%	0.463	S	S	.	.	H	α-helix	trans	-64.1	-37.2	173.5	-73.5	-159.2	-59.2	0	0	112.6	H577 E578 R585	H577-M581 WeakPolarHBondContact O-CG 3.39Å; H577-M581 PolarHBondContact O-N 3.1Å; E578-M581 PolarHBondContact O-N 2.97Å; E578-M581 VanDerWaalsContact O-N 3.15Å; M581-R585 WeakPolarHBondContact O-CB 3.39Å; M581-R585 VanDerWaalsContact O-CG 3.3Å; M581-R585 WeakPolarHBondContact O-CG 3.38Å; M581-R585 PolarHBondContact O-N 2.83Å
582	E	67.4	Low	63.9	Low	130 Å²	130	95 Å²	95	61%	0.607	47%	0.469	S	S	*	.	H	α-helix	trans	-69.6	-45.6	179.2	-174.4	161.7	-119.1	0	0	111.9	E578 T580 R585 H586	E578-E582 WeakPolarHBondContact O-CB 3.31Å; E578-E582 PolarHBondContact O-N 2.64Å; T580-E582 VanDerWaalsContact C-N 3.34Å; T580-E582 PolarHBondContact O-N 2.86Å; E582-R585 WeakPolarHBondContact O-CB 3.28Å; E582-R585 PolarHBondContact O-N 2.88Å; E582-H586 PolarHBondContact O-N 3.32Å
583	S	57.1	Low	61.2	Low	60 Å²	60	100 Å²	100	42%	0.42	49%	0.49	S	S	.	.	H	α-helix	trans	-64.5	-38.2	172.5	51.7	0	0	0	0	112.5	Q579 T580 H586 L587	Q579-S583 WeakPolarHBondContact O-CB 3.4Å; Q579-S583 PolarHBondContact O-N 2.89Å; Q579-S583 PolarHBondContact O-OG 2.96Å; T580-S583 WeakPolarHBondContact CA-OG 3.49Å; T580-S583 PolarHBondContact O-OG 2.79Å; T580-S583 VanDerWaalsContact O-OG 3.1Å; S583-H586 PolarHBondContact O-N 3.12Å; S583-L587 WeakPolarHBondContact O-CB 3.31Å; S583-L587 WeakPolarHBondContact O-CG 3.37Å; S583-L587 PolarHBondContact O-N 2.92Å
584	F	50.6	Low	58.5	Low	130 Å²	130	105.2 Å²	105.2	57%	0.57	52%	0.518	S	S	*	.	H	α-helix	trans	-64.8	-36.7	170.7	-85.6	-58.7	0	0	0	113.2	T580 T588	T580-F584 HydrophobicContact CG2-CD2 3.67Å; T580-F584 HydrophobicContact CG2-CE2 3.6Å; T580-F584 WeakPolarHBondContact O-CB 3.11Å; T580-F584 WeakPolarHBondContact O-CD2 3.39Å; T580-F584 PolarHBondContact O-N 2.62Å; F584-T588 VanDerWaalsContact O-CB 3.28Å; F584-T588 WeakPolarHBondContact O-CB 3.44Å; F584-T588 PolarHBondContact O-N 3.22Å; F584-T588 PolarHBondContact O-OG1 2.99Å
585	R	50.8	Low	56.2	Low	178 Å²	178	108.6 Å²	108.6	67%	0.672	53%	0.534	S	S	*	.	H	α-helix	trans	-61	-47.7	171	-81.4	169.7	166.2	178.2	-3.4	110.6	M581 E582 L587 T588 C589	M581-R585 WeakPolarHBondContact O-CB 3.39Å; M581-R585 VanDerWaalsContact O-CG 3.3Å; M581-R585 WeakPolarHBondContact O-CG 3.38Å; M581-R585 PolarHBondContact O-N 2.83Å; E582-R585 WeakPolarHBondContact O-CB 3.28Å; E582-R585 PolarHBondContact O-N 2.88Å; R585-L587 PolarHBondContact O-N 2.86Å; R585-T588 PolarHBondContact O-N 3.06Å; R585-C589 PolarHBondContact O-N 3.02Å; R585-C589 PolarHBondContact O-SG 3.39Å
586	H	47.4	Very low	53.7	Low	138 Å²	138	105.9 Å²	105.9	64%	0.639	53%	0.527	S	S	*	.	H	α-helix	trans	-60.3	-45	178.8	-137.4	-72.9	0	0	0	111.9	E582 S583 C589 T590	E582-H586 PolarHBondContact O-N 3.32Å; S583-H586 PolarHBondContact O-N 3.12Å; H586-C589 WeakPolarHBondContact O-CB 3.47Å; H586-C589 PolarHBondContact O-N 2.68Å; H586-T590 PolarHBondContact O-N 3.02Å; H586-T590 PolarHBondContact O-OG1 3.16Å
587	L	37.3	Very low	51.4	Low	98 Å²	98	102.8 Å²	102.8	51%	0.513	52%	0.522	S	S	.	.	H	α-helix	trans	-65.6	-35.8	175.1	-77.7	160.5	0	0	0	113.2	S583 R585 C589 T590 L591	S583-L587 WeakPolarHBondContact O-CB 3.31Å; S583-L587 WeakPolarHBondContact O-CG 3.37Å; S583-L587 PolarHBondContact O-N 2.92Å; R585-L587 PolarHBondContact O-N 2.86Å; L587-C589 VanDerWaalsContact C-N 3.29Å; L587-T590 WeakPolarHBondContact CA-OG1 2.99Å; L587-T590 PolarHBondContact O-N 3.38Å; L587-T590 PolarHBondContact O-OG1 3.11Å; L587-T590 VanDerWaalsContact O-OG1 3.13Å; L587-L591 PolarHBondContact O-N 3.36Å
588	T	37	Very low	49.4	Very low	80 Å²	80	102.4 Å²	102.4	49%	0.491	52%	0.523	S	S	.	.	H	α-helix	trans	-71.5	-26.6	176	-55.3	0	0	0	0	111.7	F584 R585	F584-T588 VanDerWaalsContact O-CB 3.28Å; F584-T588 WeakPolarHBondContact O-CB 3.44Å; F584-T588 PolarHBondContact O-N 3.22Å; F584-T588 PolarHBondContact O-OG1 2.99Å; R585-T588 PolarHBondContact O-N 3.06Å
589	C	38.5	Very low	47.2	Very low	84 Å²	84	101.1 Å²	101.1	57%	0.568	52%	0.524	S	S	*	.	H	α-helix	trans	-75	-41.2	169.5	-71	0	0	0	0	112.3	R585 H586 L587 L591 R592	R585-C589 PolarHBondContact O-N 3.02Å; R585-C589 PolarHBondContact O-SG 3.39Å; H586-C589 WeakPolarHBondContact O-CB 3.47Å; H586-C589 PolarHBondContact O-N 2.68Å; L587-C589 VanDerWaalsContact C-N 3.29Å; C589-L591 PolarHBondContact O-N 2.85Å; C589-R592 WeakPolarHBondContact O-CB 3.49Å; C589-R592 PolarHBondContact O-N 3.43Å
590	T	34.9	Very low	45.3	Very low	98 Å²	98	102.8 Å²	102.8	60%	0.601	53%	0.532	S	S	*	.	H	α-helix	trans	-71.6	-10.1	179.7	55.5	0	0	0	0	114.7	H586 L587	H586-T590 PolarHBondContact O-N 3.02Å; H586-T590 PolarHBondContact O-OG1 3.16Å; L587-T590 WeakPolarHBondContact CA-OG1 2.99Å; L587-T590 PolarHBondContact O-N 3.38Å; L587-T590 PolarHBondContact O-OG1 3.11Å; L587-T590 VanDerWaalsContact O-OG1 3.13Å
591	L	36.6	Very low	43.7	Very low	155 Å²	155	101 Å²	101	81%	0.812	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	10.4	168.8	-67.6	177.5	0	0	0	113.8	L587 C589	L587-L591 PolarHBondContact O-N 3.36Å; C589-L591 PolarHBondContact O-N 2.85Å
592	R	40.8	Very low	42.5	Very low	141 Å²	141	98.5 Å²	98.5	53%	0.532	51%	0.511	S	S	.	.			trans	-100.2	80.4	172.4	-71.7	-177.7	169.8	-144.4	-2.8	112	C589	C589-R592 WeakPolarHBondContact O-CB 3.49Å; C589-R592 PolarHBondContact O-N 3.43Å
593	D	35.9	Very low	41.7	Very low	138 Å²	138	94.1 Å²	94.1	74%	0.738	49%	0.494	S	S	*	.			trans	-104	30.5	161.7	-164.3	29.6	0	0	0	111.9
594	D	34.8	Very low	41.2	Very low	113 Å²	113	96.2 Å²	96.2	60%	0.604	51%	0.508	S	S	*	.			trans	-124.1	68.5	172.3	-170.9	-10.9	0	0	0	110	S596	D594-S596 PolarHBondContact O-N 3.08Å; D594-S596 PolarHBondContact O-OG 2.91Å; D594-S596 WeakPolarHBondContact OD1-CB 3.49Å; D594-S596 PolarHBondContact OD1-OG 3.26Å
595	E	43.1	Very low	41	Very low	94 Å²	94	94.6 Å²	94.6	44%	0.439	51%	0.509	S	S	.	.			trans	18.6	6.2	130.9	-141.9	-165.4	117.7	0	0	122.3	R694	E595-R694 IonicContact OE2-CZ 3.9Å; E595-R694 IonicContact OE2-NE 3.95Å; E595-R694 PolarHBondContact OE2-NE 3.26Å; E595-R694 IonicContact OE2-NH2 3Å; E595-R694 PolarHBondContact OE2-NH2 3.2Å
596	S	36.2	Very low	41.2	Very low	52 Å²	52	90.1 Å²	90.1	36%	0.364	50%	0.495	S	S	.	.			trans	-136.5	7.7	-160	67.2	0	0	0	0	117.3	D594	D594-S596 PolarHBondContact O-N 3.08Å; D594-S596 PolarHBondContact O-OG 2.91Å; D594-S596 WeakPolarHBondContact OD1-CB 3.49Å; D594-S596 PolarHBondContact OD1-OG 3.26Å
597	T	37.6	Very low	41.9	Very low	61 Å²	61	84.5 Å²	84.5	37%	0.374	47%	0.47	S	S	.	.			trans	-128.8	123.3	-176.4	-28.9	0	0	0	0	114.3	S601	T597-S601 VanDerWaalsContact CG2-CB 3.47Å; T597-S601 WeakPolarHBondContact CG2-OG 3.3Å
598	P	41.3	Very low	42.7	Very low	33 Å²	33	80 Å²	80	21%	0.214	45%	0.447	C	S	.	.			trans	-63.6	156.3	-178.7	-24.4	34.4	0	0	0	115.4	H600 S601 M624	P598-H600 PolarHBondContact O-N 3.45Å; P598-S601 PolarHBondContact O-N 2.87Å; P598-S601 VanDerWaalsContact O-N 3.08Å; P598-S601 PolarHBondContact O-OG 3.21Å; P598-S601 VanDerWaalsContact O-OG 3.12Å; P598-M624 HydrophobicContact CG-CE 3.84Å
599	P	38.5	Very low	43.7	Very low	83 Å²	83	82.7 Å²	82.7	54%	0.539	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	0.7	-173	25.8	-35.9	0	0	0	116.5
600	H	39.8	Very low	44.6	Very low	159 Å²	159	86.7 Å²	86.7	74%	0.736	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.1	14.9	177.3	-58	-26.1	0	0	0	113.6	P598	P598-H600 PolarHBondContact O-N 3.45Å
601	S	41	Very low	45.5	Very low	24 Å²	24	84.6 Å²	84.6	17%	0.168	45%	0.447	C	S	.	.	S	Bend	trans	-69.2	139.3	167.7	62.1	0	0	0	0	110.9	T597 P598	T597-S601 VanDerWaalsContact CG2-CB 3.47Å; T597-S601 WeakPolarHBondContact CG2-OG 3.3Å; P598-S601 PolarHBondContact O-N 2.87Å; P598-S601 VanDerWaalsContact O-N 3.08Å; P598-S601 PolarHBondContact O-OG 3.21Å; P598-S601 VanDerWaalsContact O-OG 3.12Å
602	P	45.8	Very low	47.1	Very low	19 Å²	19	78.3 Å²	78.3	12%	0.123	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-59	150.3	170	26.6	-34.1	0	0	0	110.9	E606 L607	P602-E606 HydrophobicContact CB-CB 3.99Å; P602-L607 HydrophobicContact CG-CD1 4.45Å
603	S	50.1	Low	47.8	Very low	38 Å²	38	76.7 Å²	76.7	27%	0.266	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-57.4	155.4	174.7	177.4	0	0	0	0	111.3	V605 E606 L607	S603-V605 PolarHBondContact O-N 3.07Å; S603-V605 VanDerWaalsContact O-N 3.1Å; S603-V605 PolarHBondContact OG-N 3.28Å; S603-E606 PolarHBondContact N-OE2 3.12Å; S603-E606 CarbonylContact O-C 3.48Å; S603-E606 WeakPolarHBondContact O-CA 3.39Å; S603-E606 PolarHBondContact O-N 3.46Å; S603-L607 PolarHBondContact O-N 3.2Å
604	C	47	Very low	48.6	Very low	104 Å²	104	74.7 Å²	74.7	70%	0.703	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-27.8	170.8	58.6	0	0	0	0	112.1
605	V	46	Very low	49.7	Very low	97 Å²	97	71.7 Å²	71.7	59%	0.588	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-23.2	175	-172.2	0	0	0	0	112.8	S603 K609	S603-V605 PolarHBondContact O-N 3.07Å; S603-V605 VanDerWaalsContact O-N 3.1Å; S603-V605 PolarHBondContact OG-N 3.28Å; V605-K609 WeakPolarHBondContact O-CD 3.43Å; V605-K609 VanDerWaalsContact O-CE 3.26Å; V605-K609 WeakPolarHBondContact O-CE 3.32Å; V605-K609 PolarHBondContact O-NZ 2.97Å
606	E	55.8	Low	50.2	Low	83 Å²	83	75.8 Å²	75.8	39%	0.388	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-9.1	-179.6	-67.5	-174.1	116.6	0	0	114	P602 S603 G608 K609 R610	P602-E606 HydrophobicContact CB-CB 3.99Å; S603-E606 PolarHBondContact N-OE2 3.12Å; S603-E606 CarbonylContact O-C 3.48Å; S603-E606 WeakPolarHBondContact O-CA 3.39Å; S603-E606 PolarHBondContact O-N 3.46Å; E606-G608 PolarHBondContact O-N 3.29Å; E606-K609 WeakPolarHBondContact O-CA 3.37Å; E606-K609 WeakPolarHBondContact O-CB 3.37Å; E606-K609 PolarHBondContact O-N 3.25Å; E606-R610 PolarHBondContact O-N 3.25Å
607	L	62.7	Low	50.8	Low	21 Å²	21	78.6 Å²	78.6	11%	0.11	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	121.3	-176	-160.9	77.6	0	0	0	110.7	P602 S603 K609 A642 C643 C672 T675 L676	P602-L607 HydrophobicContact CG-CD1 4.45Å; S603-L607 PolarHBondContact O-N 3.2Å; L607-K609 PolarHBondContact O-N 3.11Å; L607-K609 VanDerWaalsContact O-N 3.13Å; L607-A642 HydrophobicContact CD1-CB 4.38Å; L607-A642 HydrophobicContact CG-CB 4.29Å; L607-C643 HydrophobicContact CD1-CB 4.01Å; L607-C672 HydrophobicContact CD2-CB 4.36Å; L607-T675 HydrophobicContact CD2-CG2 3.77Å; L607-L676 HydrophobicContact CD2-CD2 4.33Å; L607-L676 HydrophobicContact CD2-CG 4.16Å; L607-L676 HydrophobicContact CG-CD2 4.45Å; L607-L676 WeakPolarHBondContact O-CD2 3.36Å
608	G	54.3	Low	51.4	Low	2 Å²	2	85.5 Å²	85.5	2%	0.021	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	-8.7	-176.7	0	0	0	0	0	116.5	E606 S659 Y660	E606-G608 PolarHBondContact O-N 3.29Å; G608-S659 PolarHBondContact O-N 3.35Å; G608-Y660 WeakPolarHBondContact O-CD1 3.34Å; G608-Y660 PolarHBondContact O-N 3.09Å
609	K	56.5	Low	52.1	Low	137 Å²	137	88.5 Å²	88.5	60%	0.596	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-23.6	170.5	-58.4	179.8	-173.5	162.5	0	112.6	V605 E606 L607	V605-K609 WeakPolarHBondContact O-CD 3.43Å; V605-K609 VanDerWaalsContact O-CE 3.26Å; V605-K609 WeakPolarHBondContact O-CE 3.32Å; V605-K609 PolarHBondContact O-NZ 2.97Å; E606-K609 WeakPolarHBondContact O-CA 3.37Å; E606-K609 WeakPolarHBondContact O-CB 3.37Å; E606-K609 PolarHBondContact O-N 3.25Å; L607-K609 PolarHBondContact O-N 3.11Å; L607-K609 VanDerWaalsContact O-N 3.13Å
610	R	58.7	Low	53	Low	168 Å²	168	85.5 Å²	85.5	63%	0.634	44%	0.435	S	S	*	.	S	Bend	trans	-128.5	146.2	175.4	-170	176.6	-178	124	2	110.6	E606 Y660	E606-R610 PolarHBondContact O-N 3.25Å; R610-Y660 WeakPolarHBondContact O-CD1 3.19Å
611	A	54	Low	54.3	Low	54 Å²	54	81.9 Å²	81.9	45%	0.446	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-70	128.5	172.4	0	0	0	0	0	110.3	Y660	A611-Y660 HydrophobicContact CB-CD1 4.41Å; A611-Y660 HydrophobicContact CB-CD2 3.72Å; A611-Y660 HydrophobicContact CB-CE1 4.33Å; A611-Y660 HydrophobicContact CB-CE2 3.66Å; A611-Y660 HydrophobicContact CB-CG 4.15Å
612	P	68.8	Low	55.9	Low	23 Å²	23	84.3 Å²	84.3	15%	0.149	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-75.7	146.5	177.6	31.5	-35.7	0	0	0	111.5	K641	P612-K641 WeakPolarHBondContact CD-O 3.44Å; P612-K641 VanDerWaalsContact CG-O 3.3Å; P612-K641 WeakPolarHBondContact CG-O 3.3Å
613	T	54.9	Low	57.4	Low	107 Å²	107	83.5 Å²	83.5	66%	0.656	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-62.4	123.7	172.8	-50.9	0	0	0	0	109.9	I615	T613-I615 PolarHBondContact O-N 2.83Å
614	P	53.4	Low	58.6	Low	97 Å²	97	84.3 Å²	84.3	63%	0.63	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-74.9	118	-175.6	28.3	-33.6	0	0	0	111.6
615	I	59.2	Low	59.9	Low	49 Å²	49	82.6 Å²	82.6	25%	0.251	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-66.1	132.8	172.8	-56	174.1	0	0	0	109.1	T613 E617 V620 M624 H639 V646	T613-I615 PolarHBondContact O-N 2.83Å; I615-E617 PolarHBondContact O-N 3.36Å; I615-V620 HydrophobicContact CG2-CG2 3.76Å; I615-M624 HydrophobicContact CD1-CE 4.25Å; I615-M624 HydrophobicContact CD1-SD 4.16Å; I615-H639 PolarHBondContact O-NE2 2.98Å; I615-V646 HydrophobicContact CB-CG2 4.15Å; I615-V646 HydrophobicContact CG2-CG2 4.27Å
616	R	51.9	Low	61.2	Low	181 Å²	181	80.1 Å²	80.1	68%	0.683	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-72.1	128.9	-175.6	-63.5	169	175	178	1.4	110.2	K618 E619	R616-K618 PolarHBondContact O-N 2.92Å; R616-E619 WeakPolarHBondContact CB-OE1 3.37Å; R616-E619 WeakPolarHBondContact CD-OE1 3.33Å; R616-E619 PolarHBondContact O-N 3.39Å
617	E	50.3	Low	61.6	Low	110 Å²	110	83 Å²	83	51%	0.514	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-60.8	-22.2	-168	-62.9	-176.2	173.9	0	0	115.5	I615 E619 R637 H639	I615-E617 PolarHBondContact O-N 3.36Å; E617-E619 VanDerWaalsContact C-N 3.32Å; E617-R637 WeakPolarHBondContact O-CD 3.22Å; E617-R637 PolarHBondContact O-NE 3.46Å; E617-H639 IonicContact OE1-CE1 2.69Å; E617-H639 PolarHBondContact OE1-CE1 3.28Å
618	K	50	Low	62	Low	206 Å²	206	85.7 Å²	85.7	90%	0.896	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-79	-14.2	-179	-63.6	-176.8	179.7	179.8	0	113.5	R616	R616-K618 PolarHBondContact O-N 2.92Å
619	E	55	Low	62.8	Low	97 Å²	97	89.7 Å²	89.7	45%	0.453	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-97	0.3	-173.3	-69.2	151.5	-150.7	0	0	112.7	R616 E617	R616-E619 WeakPolarHBondContact CB-OE1 3.37Å; R616-E619 WeakPolarHBondContact CD-OE1 3.33Å; R616-E619 PolarHBondContact O-N 3.39Å; E617-E619 VanDerWaalsContact C-N 3.32Å
620	V	58.4	Low	63.8	Low	19 Å²	19	84.1 Å²	84.1	12%	0.115	42%	0.423	C	S	.	.			trans	-126.2	119.2	-178.3	-171.9	0	0	0	0	112.2	I615 L622 M624 F630 R637 V646	I615-V620 HydrophobicContact CG2-CG2 3.76Å; V620-L622 WeakPolarHBondContact CG1-O 3.18Å; V620-M624 HydrophobicContact CG1-CG 4.12Å; V620-M624 HydrophobicContact CG1-SD 4.44Å; V620-F630 HydrophobicContact CG1-CE2 4.16Å; V620-R637 VanDerWaalsContact O-CZ 3.31Å; V620-R637 PolarHBondContact O-NE 2.95Å; V620-R637 PolarHBondContact O-NH2 3.3Å; V620-V646 HydrophobicContact CB-CB 4.27Å; V620-V646 HydrophobicContact CB-CG2 4.26Å; V620-V646 HydrophobicContact CG1-CB 4.14Å; V620-V646 HydrophobicContact CG2-CB 4.33Å; V620-V646 HydrophobicContact CG2-CG2 3.88Å
621	T	66.9	Low	64.5	Low	83 Å²	83	79.1 Å²	79.1	51%	0.509	41%	0.41	S	S	.	.			trans	-95	-34.1	-177.7	51	0	0	0	0	113.6	F630	T621-F630 PolarHBondContact O-N 3.22Å
622	L	74	Confident	64.8	Low	76 Å²	76	82 Å²	82	40%	0.398	43%	0.426	S	S	.	.	B	Isolated β-bridge	trans	-112.9	149.6	-176.8	-53.8	-178.3	0	0	0	111.6	V620 M624 P629 F630	V620-L622 WeakPolarHBondContact CG1-O 3.18Å; L622-M624 PolarHBondContact O-N 3.04Å; L622-P629 HydrophobicContact CD2-CB 3.86Å; L622-F630 VanDerWaalsContact C-CE2 3.41Å; L622-F630 VanDerWaalsContact O-CE2 3.24Å; L622-F630 WeakPolarHBondContact O-CE2 3.43Å
623	C	77.6	Confident	64.2	Low	2 Å²	2	87.9 Å²	87.9	1%	0.014	46%	0.455	C	S	.	.			trans	-66.5	122.4	172.5	177.2	0	0	0	0	110.8	K625 C626 Q627 E628 F630 C648	C623-K625 PolarHBondContact O-N 3.26Å; C623-C626 VanDerWaalsContact CB-SG 3.55Å; C623-Q627 VanDerWaalsContact O-CA 3.22Å; C623-Q627 WeakPolarHBondContact O-CA 3.08Å; C623-Q627 PolarHBondContact O-N 3.1Å; C623-E628 PolarHBondContact N-O 3.43Å; C623-F630 HydrophobicContact CB-CE1 4.15Å; C623-F630 HydrophobicContact CB-CE2 4.34Å; C623-F630 HydrophobicContact CB-CZ 3.85Å; C623-C648 HydrophobicContact CB-CB 4.33Å; C623-C648 PolarHBondContact SG-N 3.06Å
624	M	74.4	Confident	64.6	Low	54 Å²	54	88 Å²	88	27%	0.266	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	25	-177.1	-53.8	176.3	78.2	0	0	114.3	P598 I615 V620 L622 H645 V646	P598-M624 HydrophobicContact CG-CE 3.84Å; I615-M624 HydrophobicContact CD1-CE 4.25Å; I615-M624 HydrophobicContact CD1-SD 4.16Å; V620-M624 HydrophobicContact CG1-CG 4.12Å; V620-M624 HydrophobicContact CG1-SD 4.44Å; L622-M624 PolarHBondContact O-N 3.04Å; M624-H645 HydrophobicContact CB-CB 4.37Å; M624-H645 HydrophobicContact SD-CB 4.13Å; M624-V646 WeakPolarHBondContact CB-O 3.33Å; M624-V646 WeakPolarHBondContact CG-O 3.41Å; M624-V646 PolarHBondContact N-O 3.09Å; M624-V646 HydrophobicContact SD-CB 4.25Å; M624-V646 HydrophobicContact SD-CG2 4.49Å; M624-V646 PolarHBondContact SD-N 3.25Å
625	K	75.1	Confident	65.4	Low	69 Å²	69	86.1 Å²	86.1	30%	0.3	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143	-58.2	175.3	-69.6	-64.2	145.8	-178.6	0	112.9	C623 V647 C651 C669 D671	C623-K625 PolarHBondContact O-N 3.26Å; K625-V647 HydrophobicContact CB-CG1 4.21Å; K625-V647 HydrophobicContact CG-CG1 3.67Å; K625-C651 HydrophobicContact CB-CB 4.06Å; K625-C669 HydrophobicContact CG-CB 4.47Å; K625-D671 WeakPolarHBondContact CD-OD2 3.4Å; K625-D671 WeakPolarHBondContact CE-OD2 3.23Å; K625-D671 IonicContact NZ-OD2 3.48Å; K625-D671 PolarHBondContact NZ-OD2 3.12Å
626	C	72.4	Confident	66.1	Low	45 Å²	45	92.2 Å²	92.2	30%	0.304	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-2.5	174.5	65	0	0	0	0	114.7	C623 E628	C623-C626 VanDerWaalsContact CB-SG 3.55Å; C626-E628 HydrophobicContact CB-CG 4.14Å; C626-E628 PolarHBondContact O-N 3.24Å; C626-E628 PolarHBondContact SG-OE2 3.37Å
627	Q	64.8	Low	67.4	Low	142 Å²	142	87.2 Å²	87.2	66%	0.664	44%	0.438	S	S	*	.			trans	59.6	-0.7	-177.4	-58.3	179.5	-9.8	0	0	115.8	C623	C623-Q627 VanDerWaalsContact O-CA 3.22Å; C623-Q627 WeakPolarHBondContact O-CA 3.08Å; C623-Q627 PolarHBondContact O-N 3.1Å
628	E	71	Confident	69	Low	79 Å²	79	84.6 Å²	84.6	37%	0.369	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-69.3	144.3	178.6	-56.1	-178.6	106	0	0	112.1	C623 C626 K635	C623-E628 PolarHBondContact N-O 3.43Å; C626-E628 HydrophobicContact CB-CG 4.14Å; C626-E628 PolarHBondContact O-N 3.24Å; C626-E628 PolarHBondContact SG-OE2 3.37Å; E628-K635 IonicContact OE1-NZ 2.68Å; E628-K635 PolarHBondContact OE1-NZ 3.03Å; E628-K635 IonicContact OE2-NZ 3.75Å; E628-K635 PolarHBondContact OE2-NZ 2.86Å
629	P	72.4	Confident	70.3	Confident	85 Å²	85	77 Å²	77	55%	0.552	39%	0.394	S	S	*	.	B	Isolated β-bridge	trans	-66.7	138.4	178.2	26.9	-34.5	0	0	0	112.6	L622	L622-P629 HydrophobicContact CD2-CB 3.86Å
630	F	76.9	Confident	71.6	Confident	20 Å²	20	72.4 Å²	72.4	9%	0.088	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-72.6	138.1	169.1	-69	-64.9	0	0	0	110.5	V620 T621 L622 C623 K635 R637 V646 C648	V620-F630 HydrophobicContact CG1-CE2 4.16Å; T621-F630 PolarHBondContact O-N 3.22Å; L622-F630 VanDerWaalsContact C-CE2 3.41Å; L622-F630 VanDerWaalsContact O-CE2 3.24Å; L622-F630 WeakPolarHBondContact O-CE2 3.43Å; C623-F630 HydrophobicContact CB-CE1 4.15Å; C623-F630 HydrophobicContact CB-CE2 4.34Å; C623-F630 HydrophobicContact CB-CZ 3.85Å; F630-K635 WeakPolarHBondContact CD1-O 3.48Å; F630-R637 HydrophobicContact CB-CG 4.18Å; F630-R637 HydrophobicContact CD1-CG 3.7Å; F630-R637 HydrophobicContact CD2-CG 3.73Å; F630-R637 HydrophobicContact CE1-CB 4.4Å; F630-R637 HydrophobicContact CE1-CG 3.9Å; F630-R637 HydrophobicContact CE2-CG 3.93Å; F630-R637 HydrophobicContact CG-CG 3.61Å; F630-R637 HydrophobicContact CZ-CG 4.02Å; F630-V646 HydrophobicContact CE2-CB 4.44Å; F630-V646 HydrophobicContact CE2-CG1 3.77Å; F630-V646 HydrophobicContact CZ-CG1 3.77Å; F630-C648 HydrophobicContact CE1-CB 4.07Å
631	N	72.8	Confident	72.7	Confident	64 Å²	64	76.4 Å²	76.4	34%	0.342	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-133	151.6	173.5	74.3	49.2	0	0	0	109.9	I633 T634 K635	N631-I633 PolarHBondContact O-N 3.04Å; N631-I633 VanDerWaalsContact O-N 3.08Å; N631-I633 PolarHBondContact OD1-N 2.69Å; N631-T634 PolarHBondContact ND2-OG1 3.19Å; N631-T634 PolarHBondContact OD1-N 3.23Å; N631-T634 PolarHBondContact OD1-OG1 2.94Å; N631-K635 PolarHBondContact N-O 3.05Å; N631-K635 CarbonylContact O-C 3.59Å; N631-K635 PolarHBondContact O-N 3.43Å; N631-K635 PolarHBondContact OD1-N 2.96Å; N631-K635 VanDerWaalsContact OD1-N 3.09Å
632	S	59.7	Low	73	Confident	114 Å²	114	72.4 Å²	72.4	80%	0.797	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-7.2	-170	-50	0	0	0	0	114.9
633	I	57.9	Low	73	Confident	146 Å²	146	69.5 Å²	69.5	75%	0.749	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-55.8	-168.3	-57.5	175.1	0	0	0	111.3	N631	N631-I633 PolarHBondContact O-N 3.04Å; N631-I633 VanDerWaalsContact O-N 3.08Å; N631-I633 PolarHBondContact OD1-N 2.69Å
634	T	63.3	Low	72.8	Confident	110 Å²	110	69.5 Å²	69.5	68%	0.675	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-16.9	-174.3	63.6	0	0	0	0	114.9	N631	N631-T634 PolarHBondContact ND2-OG1 3.19Å; N631-T634 PolarHBondContact OD1-N 3.23Å; N631-T634 PolarHBondContact OD1-OG1 2.94Å
635	K	69.9	Low	73	Confident	57 Å²	57	67.2 Å²	67.2	25%	0.248	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-131.2	77.7	-179.6	-65.9	-170.6	-176.5	-174.3	0	112.5	E628 F630 N631	E628-K635 IonicContact OE1-NZ 2.68Å; E628-K635 PolarHBondContact OE1-NZ 3.03Å; E628-K635 IonicContact OE2-NZ 3.75Å; E628-K635 PolarHBondContact OE2-NZ 2.86Å; F630-K635 WeakPolarHBondContact CD1-O 3.48Å; N631-K635 PolarHBondContact N-O 3.05Å; N631-K635 CarbonylContact O-C 3.59Å; N631-K635 PolarHBondContact O-N 3.43Å; N631-K635 PolarHBondContact OD1-N 2.96Å; N631-K635 VanDerWaalsContact OD1-N 3.09Å
636	R	73.7	Confident	73.3	Confident	177 Å²	177	63.9 Å²	63.9	67%	0.668	32%	0.324	S	S	*	.			trans	-67.2	153.7	174.3	-61	-176.2	-176.3	-177.6	1.8	111.6
637	R	80	Confident	73.9	Confident	76 Å²	76	61.8 Å²	61.8	29%	0.287	31%	0.31	S	S	.	.			trans	-84.4	142	176	-69.2	174.1	176.9	78.3	-0.2	110.6	E617 V620 F630 V646	E617-R637 WeakPolarHBondContact O-CD 3.22Å; E617-R637 PolarHBondContact O-NE 3.46Å; V620-R637 VanDerWaalsContact O-CZ 3.31Å; V620-R637 PolarHBondContact O-NE 2.95Å; V620-R637 PolarHBondContact O-NH2 3.3Å; F630-R637 HydrophobicContact CB-CG 4.18Å; F630-R637 HydrophobicContact CD1-CG 3.7Å; F630-R637 HydrophobicContact CD2-CG 3.73Å; F630-R637 HydrophobicContact CE1-CB 4.4Å; F630-R637 HydrophobicContact CE1-CG 3.9Å; F630-R637 HydrophobicContact CE2-CG 3.93Å; F630-R637 HydrophobicContact CG-CG 3.61Å; F630-R637 HydrophobicContact CZ-CG 4.02Å; R637-V646 HydrophobicContact CB-CG1 3.82Å; R637-V646 HydrophobicContact CG-CG1 3.88Å
638	H	82.6	Confident	74.8	Confident	55 Å²	55	55.3 Å²	55.3	26%	0.255	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	140.3	171.2	-53.4	-59.4	0	0	0	110	V647	H638-V647 PolarHBondContact N-O 3.27Å; H638-V647 VanDerWaalsContact O-CG2 3.28Å; H638-V647 WeakPolarHBondContact O-CG2 3.25Å; H638-V647 PolarHBondContact O-N 3Å
639	H	78.5	Confident	75.3	Confident	46 Å²	46	52.8 Å²	52.8	21%	0.213	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	136.9	172.1	-54.7	86.3	0	0	0	111.8	I615 E617 K641 H645	I615-H639 PolarHBondContact O-NE2 2.98Å; E617-H639 IonicContact OE1-CE1 2.69Å; E617-H639 PolarHBondContact OE1-CE1 3.28Å; H639-K641 PolarHBondContact O-N 3.44Å; H639-H645 WeakPolarHBondContact CA-O 3.39Å
640	C	81.9	Confident	75.7	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.007	28%	0.283	C	S	.	.			trans	-70	121.4	161.3	177.6	0	0	0	0	109.7	A642 C643 G644 H645 V668 C669	C640-A642 PolarHBondContact O-N 3.32Å; C640-A642 PolarHBondContact SG-N 3.45Å; C640-C643 VanDerWaalsContact CB-SG 3.57Å; C640-C643 PolarHBondContact SG-SG 3.37Å; C640-G644 WeakPolarHBondContact O-CA 3.45Å; C640-G644 PolarHBondContact O-N 3.08Å; C640-H645 PolarHBondContact N-O 2.8Å; C640-V668 VanDerWaalsContact SG-CA 3.57Å; C640-C669 HydrophobicContact CB-CB 4.26Å; C640-C669 PolarHBondContact SG-N 3Å
641	K	80.3	Confident	75.8	Confident	103 Å²	103	56.5 Å²	56.5	45%	0.448	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-14.2	178.6	-71.2	-71.6	-175.5	180	0	114.1	P612 H639 L658 Y660 N666 R667	P612-K641 WeakPolarHBondContact CD-O 3.44Å; P612-K641 VanDerWaalsContact CG-O 3.3Å; P612-K641 WeakPolarHBondContact CG-O 3.3Å; H639-K641 PolarHBondContact O-N 3.44Å; K641-L658 HydrophobicContact CB-CD1 3.55Å; K641-Y660 PolarHBondContact O-OH 2.87Å; K641-Y660 VanDerWaalsContact O-OH 3.05Å; K641-N666 HydrophobicContact CB-CB 3.89Å; K641-N666 HydrophobicContact CG-CB 4.16Å; K641-R667 WeakPolarHBondContact CB-O 3.4Å; K641-R667 PolarHBondContact N-O 3.42Å
642	A	73.5	Confident	76.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-37	176.3	0	0	0	0	0	113.8	L607 C640 L658 V668 C672 L676	L607-A642 HydrophobicContact CD1-CB 4.38Å; L607-A642 HydrophobicContact CG-CB 4.29Å; C640-A642 PolarHBondContact O-N 3.32Å; C640-A642 PolarHBondContact SG-N 3.45Å; A642-L658 HydrophobicContact CB-CD2 4.03Å; A642-V668 HydrophobicContact CB-CG1 3.74Å; A642-C672 HydrophobicContact CB-CB 3.94Å; A642-L676 HydrophobicContact CB-CD1 3.81Å
643	C	73.8	Confident	77.5	Confident	14 Å²	14	54.3 Å²	54.3	10%	0.095	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.5	6.1	-172.4	70.4	0	0	0	0	115.4	L607 C640 H645	L607-C643 HydrophobicContact CD1-CB 4.01Å; C640-C643 VanDerWaalsContact CB-SG 3.57Å; C640-C643 PolarHBondContact SG-SG 3.37Å; C643-H645 PolarHBondContact O-N 3.41Å; C643-H645 PolarHBondContact O-ND1 3.1Å; C643-H645 PolarHBondContact SG-ND1 2.8Å; C643-H645 VanDerWaalsContact SG-ND1 3.35Å
644	G	74	Confident	78.7	Confident	3 Å²	3	49.5 Å²	49.5	3%	0.031	23%	0.234	C	C	.	.			trans	73.9	-14.5	175.3	0	0	0	0	0	116.3	C640	C640-G644 WeakPolarHBondContact O-CA 3.45Å; C640-G644 PolarHBondContact O-N 3.08Å
645	H	77.6	Confident	79.8	Confident	5 Å²	5	52.2 Å²	52.2	2%	0.023	23%	0.232	C	C	.	.			trans	-58.8	142	-174.8	-73.7	55.4	0	0	0	112.9	M624 H639 C640 C643 V647	M624-H645 HydrophobicContact CB-CB 4.37Å; M624-H645 HydrophobicContact SD-CB 4.13Å; H639-H645 WeakPolarHBondContact CA-O 3.39Å; C640-H645 PolarHBondContact N-O 2.8Å; C643-H645 PolarHBondContact O-N 3.41Å; C643-H645 PolarHBondContact O-ND1 3.1Å; C643-H645 PolarHBondContact SG-ND1 2.8Å; C643-H645 VanDerWaalsContact SG-ND1 3.35Å; H645-V647 HydrophobicContact CB-CG1 4.45Å
646	V	82.6	Confident	80.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	116.3	176	-168.7	0	0	0	0	109.5	I615 V620 M624 F630 R637	I615-V646 HydrophobicContact CB-CG2 4.15Å; I615-V646 HydrophobicContact CG2-CG2 4.27Å; V620-V646 HydrophobicContact CB-CB 4.27Å; V620-V646 HydrophobicContact CB-CG2 4.26Å; V620-V646 HydrophobicContact CG1-CB 4.14Å; V620-V646 HydrophobicContact CG2-CB 4.33Å; V620-V646 HydrophobicContact CG2-CG2 3.88Å; M624-V646 WeakPolarHBondContact CB-O 3.33Å; M624-V646 WeakPolarHBondContact CG-O 3.41Å; M624-V646 PolarHBondContact N-O 3.09Å; M624-V646 HydrophobicContact SD-CB 4.25Å; M624-V646 HydrophobicContact SD-CG2 4.49Å; M624-V646 PolarHBondContact SD-N 3.25Å; F630-V646 HydrophobicContact CE2-CB 4.44Å; F630-V646 HydrophobicContact CE2-CG1 3.77Å; F630-V646 HydrophobicContact CZ-CG1 3.77Å; R637-V646 HydrophobicContact CB-CG1 3.82Å; R637-V646 HydrophobicContact CG-CG1 3.88Å
647	V	85.3	Confident	80.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	156.5	-170.3	-73.9	0	0	0	0	111.6	K625 H638 H645 C651 C669	K625-V647 HydrophobicContact CB-CG1 4.21Å; K625-V647 HydrophobicContact CG-CG1 3.67Å; H638-V647 PolarHBondContact N-O 3.27Å; H638-V647 VanDerWaalsContact O-CG2 3.28Å; H638-V647 WeakPolarHBondContact O-CG2 3.25Å; H638-V647 PolarHBondContact O-N 3Å; H645-V647 HydrophobicContact CB-CG1 4.45Å; V647-C651 HydrophobicContact CB-CB 4.18Å; V647-C651 HydrophobicContact CG1-CB 4.49Å; V647-C669 HydrophobicContact CG1-CB 4.27Å; V647-C669 HydrophobicContact CG2-CB 4.48Å
648	C	83.7	Confident	80.8	Confident	6 Å²	6	46.2 Å²	46.2	4%	0.041	21%	0.208	C	C	.	.			trans	-78.6	170.9	175.7	77.6	0	0	0	0	111.3	C623 F630 K650 C651 S652	C623-C648 HydrophobicContact CB-CB 4.33Å; C623-C648 PolarHBondContact SG-N 3.06Å; F630-C648 HydrophobicContact CE1-CB 4.07Å; C648-K650 PolarHBondContact O-N 3.29Å; C648-C651 PolarHBondContact O-N 2.83Å; C648-C651 PolarHBondContact SG-N 2.73Å; C648-C651 VanDerWaalsContact SG-SG 3.6Å; C648-S652 PolarHBondContact O-N 2.93Å; C648-S652 PolarHBondContact O-OG 3.17Å
649	G	80.2	Confident	80.3	Confident	26 Å²	26	47.2 Å²	47.2	27%	0.268	22%	0.221	S	C	.	.	S	Bend	trans	-51	-56.1	178.4	0	0	0	0	0	112.2	C651 S652 E653	G649-C651 PolarHBondContact O-N 2.66Å; G649-S652 CarbonylContact O-C 3.56Å; G649-S652 VanDerWaalsContact O-C 3.32Å; G649-S652 WeakPolarHBondContact O-CA 3.34Å; G649-S652 PolarHBondContact O-N 3.03Å; G649-S652 PolarHBondContact O-OG 3.45Å; G649-E653 VanDerWaalsContact O-CG 3.23Å; G649-E653 WeakPolarHBondContact O-CG 3.4Å; G649-E653 PolarHBondContact O-N 3.47Å; G649-E653 VanDerWaalsContact O-N 3.15Å
650	K	81.2	Confident	80.2	Confident	165 Å²	165	48.3 Å²	48.3	72%	0.717	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-56.6	-44.2	-178.9	-63	-171.2	175.9	-169.9	0	113.7	C648 S652 E653	C648-K650 PolarHBondContact O-N 3.29Å; K650-S652 PolarHBondContact O-N 3.4Å; K650-S652 VanDerWaalsContact O-N 3.12Å; K650-E653 WeakPolarHBondContact CA-OE1 3.4Å
651	C	78.7	Confident	80	Confident	19 Å²	19	50.2 Å²	50.2	13%	0.128	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-72	-0.6	177.8	-66.9	0	0	0	0	113.9	K625 V647 C648 G649 C669 V670	K625-C651 HydrophobicContact CB-CB 4.06Å; V647-C651 HydrophobicContact CB-CB 4.18Å; V647-C651 HydrophobicContact CG1-CB 4.49Å; C648-C651 PolarHBondContact O-N 2.83Å; C648-C651 PolarHBondContact SG-N 2.73Å; C648-C651 VanDerWaalsContact SG-SG 3.6Å; G649-C651 PolarHBondContact O-N 2.66Å; C651-C669 WeakPolarHBondContact O-CA 3.34Å; C651-C669 WeakPolarHBondContact O-CB 3.45Å; C651-V670 PolarHBondContact O-N 2.65Å
652	S	86.8	Confident	79.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-142.8	26.8	-174.8	65.9	0	0	0	0	114.6	C648 G649 K650 F654 R667 V668	C648-S652 PolarHBondContact O-N 2.93Å; C648-S652 PolarHBondContact O-OG 3.17Å; G649-S652 CarbonylContact O-C 3.56Å; G649-S652 VanDerWaalsContact O-C 3.32Å; G649-S652 WeakPolarHBondContact O-CA 3.34Å; G649-S652 PolarHBondContact O-N 3.03Å; G649-S652 PolarHBondContact O-OG 3.45Å; K650-S652 PolarHBondContact O-N 3.4Å; K650-S652 VanDerWaalsContact O-N 3.12Å; S652-F654 PolarHBondContact O-N 2.95Å; S652-R667 WeakPolarHBondContact O-CG 3.32Å; S652-R667 PolarHBondContact O-NH1 2.89Å; S652-V668 VanDerWaalsContact CA-O 3.32Å; S652-V668 WeakPolarHBondContact CA-O 3.47Å
653	E	82.6	Confident	79.7	Confident	132 Å²	132	56.3 Å²	56.3	62%	0.617	27%	0.272	S	S	*	.			trans	-66.6	-18.3	177.2	-60.2	-177.2	166.7	0	0	112.3	G649 K650	G649-E653 VanDerWaalsContact O-CG 3.23Å; G649-E653 WeakPolarHBondContact O-CG 3.4Å; G649-E653 PolarHBondContact O-N 3.47Å; G649-E653 VanDerWaalsContact O-N 3.15Å; K650-E653 WeakPolarHBondContact CA-OE1 3.4Å
654	F	83.4	Confident	80	Confident	45 Å²	45	63.4 Å²	63.4	20%	0.197	30%	0.296	C	S	.	.			trans	-76.6	151.2	-175.4	-50.9	-82.3	0	0	0	114.1	S652 V668 V670 Y673 P681	S652-F654 PolarHBondContact O-N 2.95Å; F654-V668 HydrophobicContact CB-CG2 4.15Å; F654-V668 PolarHBondContact O-N 2.99Å; F654-V670 HydrophobicContact CD2-CB 3.94Å; F654-V670 HydrophobicContact CD2-CG2 4.35Å; F654-V670 HydrophobicContact CE2-CB 3.57Å; F654-V670 HydrophobicContact CE2-CG2 3.73Å; F654-V670 HydrophobicContact CZ-CB 4.25Å; F654-V670 HydrophobicContact CZ-CG2 3.88Å; F654-Y673 HydrophobicContact CB-CD1 4.38Å; F654-Y673 HydrophobicContact CB-CD2 3.72Å; F654-Y673 HydrophobicContact CB-CE2 4.47Å; F654-Y673 HydrophobicContact CB-CG 3.65Å; F654-Y673 AromaticContact CD1-CD1 3.71Å; F654-Y673 HydrophobicContact CD1-CD1 3.71Å; F654-Y673 HydrophobicContact CD1-CD2 4.37Å; F654-Y673 HydrophobicContact CD1-CE1 4.07Å; F654-Y673 AromaticContact CD1-CG 3.87Å; F654-Y673 HydrophobicContact CD1-CG 3.87Å; F654-Y673 HydrophobicContact CE1-CD1 4.42Å; F654-Y673 HydrophobicContact CG-CD1 4.24Å; F654-Y673 HydrophobicContact CG-CD2 4.43Å; F654-Y673 AromaticContact CG-CG 3.96Å; F654-Y673 HydrophobicContact CG-CG 3.96Å; F654-P681 HydrophobicContact CE1-CB 3.96Å; F654-P681 HydrophobicContact CE1-CG 4.1Å; F654-P681 HydrophobicContact CZ-CG 4.33Å
655	R	85.3	Confident	80.4	Confident	166 Å²	166	67.1 Å²	67.1	63%	0.626	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.5	129.3	172.9	-73	-174.5	170.8	-153.1	1.9	111.7	N666 Y673	R655-N666 WeakPolarHBondContact CA-O 3.26Å; R655-Y673 WeakPolarHBondContact O-CE2 3.38Å
656	A	82.4	Confident	80.7	Confident	2 Å²	2	68.1 Å²	68.1	2%	0.017	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	157.2	174.6	0	0	0	0	0	110.7	T665 N666 V668 L676 V677	A656-T665 CarbonylContact O-C 3.55Å; A656-T665 WeakPolarHBondContact O-CA 3.34Å; A656-N666 PolarHBondContact N-O 3.07Å; A656-N666 PolarHBondContact O-N 2.8Å; A656-V668 HydrophobicContact CB-CG1 4.11Å; A656-V668 HydrophobicContact CB-CG2 3.81Å; A656-L676 HydrophobicContact CB-CB 3.99Å; A656-L676 HydrophobicContact CB-CD1 3.8Å; A656-V677 HydrophobicContact CB-CG2 4.09Å
657	R	82	Confident	81	Confident	183 Å²	183	72.9 Å²	72.9	69%	0.691	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	129.1	170.3	-67.8	-173.5	-72.2	-150.7	-3.1	108.6	N663 T665	R657-N663 HydrophobicContact CB-CB 4.47Å; R657-N663 WeakPolarHBondContact CB-O 3.49Å; R657-N663 VanDerWaalsContact CG-O 3.24Å; R657-N663 WeakPolarHBondContact CG-O 3.39Å; R657-T665 HydrophobicContact CG-CG2 3.82Å
658	L	80.9	Confident	81	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.9	-179.4	-55.1	-179.7	0	0	0	109.8	K641 A642 Y660 D661 N663 R664 N666 V668 L676	K641-L658 HydrophobicContact CB-CD1 3.55Å; A642-L658 HydrophobicContact CB-CD2 4.03Å; L658-Y660 VanDerWaalsContact C-N 3.29Å; L658-Y660 HydrophobicContact CB-CD1 4.1Å; L658-Y660 HydrophobicContact CB-CE1 3.89Å; L658-Y660 HydrophobicContact CD1-CE1 3.71Å; L658-Y660 HydrophobicContact CG-CE1 4.35Å; L658-Y660 PolarHBondContact O-N 2.62Å; L658-D661 CarbonylContact O-C 3.59Å; L658-D661 PolarHBondContact O-N 2.87Å; L658-D661 VanDerWaalsContact O-N 3.11Å; L658-N663 VanDerWaalsContact O-CA 3.28Å; L658-N663 WeakPolarHBondContact O-CA 3.2Å; L658-N663 PolarHBondContact O-N 3.12Å; L658-R664 PolarHBondContact N-O 2.86Å; L658-N666 HydrophobicContact CD1-CB 3.47Å; L658-N666 VanDerWaalsContact CD1-CB 3.47Å; L658-N666 HydrophobicContact CG-CB 3.97Å; L658-V668 HydrophobicContact CD2-CG1 4.27Å; L658-L676 HydrophobicContact CD2-CD1 3.51Å
659	S	72.4	Confident	80.9	Confident	75 Å²	75	72.6 Å²	72.6	52%	0.524	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-63.5	-34.6	-174.1	-50.5	0	0	0	0	112.5	G608 D661 N663	G608-S659 PolarHBondContact O-N 3.35Å; S659-D661 PolarHBondContact O-N 3Å; S659-N663 WeakPolarHBondContact CA-OD1 3.34Å
660	Y	76.6	Confident	80.7	Confident	70 Å²	70	73.2 Å²	73.2	28%	0.275	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-66.2	-22.6	176.9	80.5	-105.2	0	0	0	113.6	G608 R610 A611 K641 L658	G608-Y660 WeakPolarHBondContact O-CD1 3.34Å; G608-Y660 PolarHBondContact O-N 3.09Å; R610-Y660 WeakPolarHBondContact O-CD1 3.19Å; A611-Y660 HydrophobicContact CB-CD1 4.41Å; A611-Y660 HydrophobicContact CB-CD2 3.72Å; A611-Y660 HydrophobicContact CB-CE1 4.33Å; A611-Y660 HydrophobicContact CB-CE2 3.66Å; A611-Y660 HydrophobicContact CB-CG 4.15Å; K641-Y660 PolarHBondContact O-OH 2.87Å; K641-Y660 VanDerWaalsContact O-OH 3.05Å; L658-Y660 VanDerWaalsContact C-N 3.29Å; L658-Y660 HydrophobicContact CB-CD1 4.1Å; L658-Y660 HydrophobicContact CB-CE1 3.89Å; L658-Y660 HydrophobicContact CD1-CE1 3.71Å; L658-Y660 HydrophobicContact CG-CE1 4.35Å; L658-Y660 PolarHBondContact O-N 2.62Å
661	D	77.4	Confident	80.4	Confident	40 Å²	40	68.3 Å²	68.3	21%	0.214	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-110.9	47.7	-179.7	-173.7	28.7	0	0	0	110.7	L658 S659 N663 R664 N666	L658-D661 CarbonylContact O-C 3.59Å; L658-D661 PolarHBondContact O-N 2.87Å; L658-D661 VanDerWaalsContact O-N 3.11Å; S659-D661 PolarHBondContact O-N 3Å; D661-N663 PolarHBondContact O-N 2.82Å; D661-N663 VanDerWaalsContact O-N 3.1Å; D661-R664 WeakPolarHBondContact O-CB 3.11Å; D661-R664 WeakPolarHBondContact O-CG 3.32Å; D661-R664 PolarHBondContact O-N 3.05Å; D661-N666 PolarHBondContact OD2-ND2 3.2Å
662	N	74.3	Confident	80.2	Confident	138 Å²	138	67.8 Å²	67.8	74%	0.738	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	37	176.8	-58.6	-76.6	0	0	0	113.7	R664	N662-R664 PolarHBondContact O-N 3.05Å
663	N	73.1	Confident	79.9	Confident	94 Å²	94	70.5 Å²	70.5	50%	0.503	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	21.6	-174.7	-68.5	-42.1	0	0	0	115.4	R657 L658 S659 D661	R657-N663 HydrophobicContact CB-CB 4.47Å; R657-N663 WeakPolarHBondContact CB-O 3.49Å; R657-N663 VanDerWaalsContact CG-O 3.24Å; R657-N663 WeakPolarHBondContact CG-O 3.39Å; L658-N663 VanDerWaalsContact O-CA 3.28Å; L658-N663 WeakPolarHBondContact O-CA 3.2Å; L658-N663 PolarHBondContact O-N 3.12Å; S659-N663 WeakPolarHBondContact CA-OD1 3.34Å; D661-N663 PolarHBondContact O-N 2.82Å; D661-N663 VanDerWaalsContact O-N 3.1Å
664	R	80.1	Confident	79.5	Confident	162 Å²	162	67 Å²	67	61%	0.611	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	144.8	176	-71	172.2	168.6	-163.3	-3.2	112.2	L658 D661 N662 N666	L658-R664 PolarHBondContact N-O 2.86Å; D661-R664 WeakPolarHBondContact O-CB 3.11Å; D661-R664 WeakPolarHBondContact O-CG 3.32Å; D661-R664 PolarHBondContact O-N 3.05Å; N662-R664 PolarHBondContact O-N 3.05Å; R664-N666 PolarHBondContact O-N 2.83Å; R664-N666 PolarHBondContact O-ND2 2.9Å; R664-N666 VanDerWaalsContact O-ND2 3.13Å
665	T	82.8	Confident	79	Confident	81 Å²	81	69 Å²	69	50%	0.497	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	99.8	-178.8	49	0	0	0	0	111.7	A656 R657	A656-T665 CarbonylContact O-C 3.55Å; A656-T665 WeakPolarHBondContact O-CA 3.34Å; R657-T665 HydrophobicContact CG-CG2 3.82Å
666	N	83.7	Confident	78.6	Confident	27 Å²	27	63.9 Å²	63.9	14%	0.144	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	153.1	-173.5	-87.6	-84.5	0	0	0	112.3	K641 R655 A656 L658 D661 R664 V668	K641-N666 HydrophobicContact CB-CB 3.89Å; K641-N666 HydrophobicContact CG-CB 4.16Å; R655-N666 WeakPolarHBondContact CA-O 3.26Å; A656-N666 PolarHBondContact N-O 3.07Å; A656-N666 PolarHBondContact O-N 2.8Å; L658-N666 HydrophobicContact CD1-CB 3.47Å; L658-N666 VanDerWaalsContact CD1-CB 3.47Å; L658-N666 HydrophobicContact CG-CB 3.97Å; D661-N666 PolarHBondContact OD2-ND2 3.2Å; R664-N666 PolarHBondContact O-N 2.83Å; R664-N666 PolarHBondContact O-ND2 2.9Å; R664-N666 VanDerWaalsContact O-ND2 3.13Å; N666-V668 PolarHBondContact O-N 3.15Å
667	R	87.3	Confident	78.3	Confident	99 Å²	99	67 Å²	67	37%	0.374	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	128.8	176.4	-172.5	-172.4	-74.6	-89.2	8.3	110.6	K641 S652	K641-R667 WeakPolarHBondContact CB-O 3.4Å; K641-R667 PolarHBondContact N-O 3.42Å; S652-R667 WeakPolarHBondContact O-CG 3.32Å; S652-R667 PolarHBondContact O-NH1 2.89Å
668	V	85.8	Confident	77.4	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.337	C	S	.	.			trans	-133.1	160.1	177.4	-64.9	0	0	0	0	111.1	C640 A642 S652 F654 A656 L658 N666 C672 Y673 L676	C640-V668 VanDerWaalsContact SG-CA 3.57Å; A642-V668 HydrophobicContact CB-CG1 3.74Å; S652-V668 VanDerWaalsContact CA-O 3.32Å; S652-V668 WeakPolarHBondContact CA-O 3.47Å; F654-V668 HydrophobicContact CB-CG2 4.15Å; F654-V668 PolarHBondContact O-N 2.99Å; A656-V668 HydrophobicContact CB-CG1 4.11Å; A656-V668 HydrophobicContact CB-CG2 3.81Å; L658-V668 HydrophobicContact CD2-CG1 4.27Å; N666-V668 PolarHBondContact O-N 3.15Å; V668-C672 HydrophobicContact CB-CB 4Å; V668-Y673 HydrophobicContact CG2-CD2 4.41Å; V668-L676 HydrophobicContact CG1-CD1 4.44Å
669	C	81.8	Confident	76.2	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	36%	0.355	C	S	.	.			trans	-75.2	165	169.4	66	0	0	0	0	111.6	K625 C640 V647 C651 D671 C672 Y673	K625-C669 HydrophobicContact CG-CB 4.47Å; C640-C669 HydrophobicContact CB-CB 4.26Å; C640-C669 PolarHBondContact SG-N 3Å; V647-C669 HydrophobicContact CG1-CB 4.27Å; V647-C669 HydrophobicContact CG2-CB 4.48Å; C651-C669 WeakPolarHBondContact O-CA 3.34Å; C651-C669 WeakPolarHBondContact O-CB 3.45Å; C669-D671 PolarHBondContact O-N 2.99Å; C669-C672 PolarHBondContact O-N 2.52Å; C669-C672 PolarHBondContact SG-SG 3.05Å; C669-Y673 PolarHBondContact O-N 3.03Å
670	V	76.4	Confident	75.1	Confident	39 Å²	39	65.3 Å²	65.3	24%	0.236	37%	0.365	C	S	.	.	H	α-helix	trans	-53.8	-49.9	-176.6	63.3	0	0	0	0	113.2	C651 F654 C672 Y673 V674	C651-V670 PolarHBondContact O-N 2.65Å; F654-V670 HydrophobicContact CD2-CB 3.94Å; F654-V670 HydrophobicContact CD2-CG2 4.35Å; F654-V670 HydrophobicContact CE2-CB 3.57Å; F654-V670 HydrophobicContact CE2-CG2 3.73Å; F654-V670 HydrophobicContact CZ-CB 4.25Å; F654-V670 HydrophobicContact CZ-CG2 3.88Å; V670-C672 PolarHBondContact O-N 3.39Å; V670-Y673 WeakPolarHBondContact O-CB 3.49Å; V670-Y673 PolarHBondContact O-N 3.05Å; V670-Y673 VanDerWaalsContact O-N 3.08Å; V670-V674 PolarHBondContact O-N 2.83Å
671	D	73.8	Confident	73.8	Confident	63 Å²	63	64.5 Å²	64.5	34%	0.337	37%	0.368	S	S	.	.	H	α-helix	trans	-61.8	-44.9	179.6	-8.5	-55.7	0	0	0	111.5	K625 C669 Y673 V674 T675	K625-D671 WeakPolarHBondContact CD-OD2 3.4Å; K625-D671 WeakPolarHBondContact CE-OD2 3.23Å; K625-D671 IonicContact NZ-OD2 3.48Å; K625-D671 PolarHBondContact NZ-OD2 3.12Å; C669-D671 PolarHBondContact O-N 2.99Å; D671-Y673 PolarHBondContact O-N 2.85Å; D671-V674 PolarHBondContact O-N 2.7Å; D671-V674 VanDerWaalsContact O-N 3.13Å; D671-T675 PolarHBondContact O-N 2.65Å; D671-T675 PolarHBondContact O-OG1 3.28Å
672	C	76.2	Confident	72.2	Confident	8 Å²	8	67.4 Å²	67.4	5%	0.054	39%	0.392	C	S	.	.	H	α-helix	trans	-62.8	-30.6	175.9	-72	0	0	0	0	112.8	L607 A642 V668 C669 V670 L676	L607-C672 HydrophobicContact CD2-CB 4.36Å; A642-C672 HydrophobicContact CB-CB 3.94Å; V668-C672 HydrophobicContact CB-CB 4Å; C669-C672 PolarHBondContact O-N 2.52Å; C669-C672 PolarHBondContact SG-SG 3.05Å; V670-C672 PolarHBondContact O-N 3.39Å; C672-L676 WeakPolarHBondContact O-CB 3.29Å; C672-L676 WeakPolarHBondContact O-CD1 3.39Å; C672-L676 WeakPolarHBondContact O-CG 3.28Å; C672-L676 PolarHBondContact O-N 3.16Å
673	Y	79.4	Confident	70.7	Confident	57 Å²	57	67.5 Å²	67.5	22%	0.224	40%	0.4	C	S	.	.	H	α-helix	trans	-67.2	-47.7	171.9	-179	-101	0	0	0	111.1	F654 R655 V668 C669 V670 D671 T675 L676 V677	F654-Y673 HydrophobicContact CB-CD1 4.38Å; F654-Y673 HydrophobicContact CB-CD2 3.72Å; F654-Y673 HydrophobicContact CB-CE2 4.47Å; F654-Y673 HydrophobicContact CB-CG 3.65Å; F654-Y673 AromaticContact CD1-CD1 3.71Å; F654-Y673 HydrophobicContact CD1-CD1 3.71Å; F654-Y673 HydrophobicContact CD1-CD2 4.37Å; F654-Y673 HydrophobicContact CD1-CE1 4.07Å; F654-Y673 AromaticContact CD1-CG 3.87Å; F654-Y673 HydrophobicContact CD1-CG 3.87Å; F654-Y673 HydrophobicContact CE1-CD1 4.42Å; F654-Y673 HydrophobicContact CG-CD1 4.24Å; F654-Y673 HydrophobicContact CG-CD2 4.43Å; F654-Y673 AromaticContact CG-CG 3.96Å; F654-Y673 HydrophobicContact CG-CG 3.96Å; R655-Y673 WeakPolarHBondContact O-CE2 3.38Å; V668-Y673 HydrophobicContact CG2-CD2 4.41Å; C669-Y673 PolarHBondContact O-N 3.03Å; V670-Y673 WeakPolarHBondContact O-CB 3.49Å; V670-Y673 PolarHBondContact O-N 3.05Å; V670-Y673 VanDerWaalsContact O-N 3.08Å; D671-Y673 PolarHBondContact O-N 2.85Å; Y673-T675 PolarHBondContact O-N 2.95Å; Y673-L676 PolarHBondContact O-N 2.92Å; Y673-V677 HydrophobicContact CD2-CB 4.42Å; Y673-V677 HydrophobicContact CD2-CG2 3.74Å; Y673-V677 HydrophobicContact CE2-CB 4.23Å; Y673-V677 HydrophobicContact CE2-CG1 4.31Å; Y673-V677 HydrophobicContact CE2-CG2 3.7Å; Y673-V677 HydrophobicContact CG-CG2 4.37Å; Y673-V677 VanDerWaalsContact O-CB 3.24Å; Y673-V677 WeakPolarHBondContact O-CB 3.44Å; Y673-V677 WeakPolarHBondContact O-CG2 3.42Å; Y673-V677 PolarHBondContact O-N 3.2Å
674	V	74.4	Confident	69.2	Low	57 Å²	57	66.7 Å²	66.7	35%	0.345	41%	0.414	S	S	.	.	H	α-helix	trans	-60.3	-45.6	177.3	178.2	0	0	0	0	110.8	V670 D671 G678	V670-V674 PolarHBondContact O-N 2.83Å; D671-V674 PolarHBondContact O-N 2.7Å; D671-V674 VanDerWaalsContact O-N 3.13Å; V674-G678 WeakPolarHBondContact O-CA 3.37Å; V674-G678 PolarHBondContact O-N 3.24Å
675	T	74	Confident	67.2	Low	89 Å²	89	63.2 Å²	63.2	55%	0.546	42%	0.42	S	S	.	.	H	α-helix	trans	-65	-39.1	177.9	-51.1	0	0	0	0	113.3	L607 D671 Y673	L607-T675 HydrophobicContact CD2-CG2 3.77Å; D671-T675 PolarHBondContact O-N 2.65Å; D671-T675 PolarHBondContact O-OG1 3.28Å; Y673-T675 PolarHBondContact O-N 2.95Å
676	L	75.4	Confident	65	Low	57 Å²	57	67.8 Å²	67.8	30%	0.298	44%	0.437	S	S	.	.	H	α-helix	trans	-87.7	-19.6	-175.8	-67.7	171	0	0	0	114.5	L607 A642 A656 L658 V668 C672 Y673	L607-L676 HydrophobicContact CD2-CD2 4.33Å; L607-L676 HydrophobicContact CD2-CG 4.16Å; L607-L676 HydrophobicContact CG-CD2 4.45Å; L607-L676 WeakPolarHBondContact O-CD2 3.36Å; A642-L676 HydrophobicContact CB-CD1 3.81Å; A656-L676 HydrophobicContact CB-CB 3.99Å; A656-L676 HydrophobicContact CB-CD1 3.8Å; L658-L676 HydrophobicContact CD2-CD1 3.51Å; V668-L676 HydrophobicContact CG1-CD1 4.44Å; C672-L676 WeakPolarHBondContact O-CB 3.29Å; C672-L676 WeakPolarHBondContact O-CD1 3.39Å; C672-L676 WeakPolarHBondContact O-CG 3.28Å; C672-L676 PolarHBondContact O-N 3.16Å; Y673-L676 PolarHBondContact O-N 2.92Å
677	V	77.4	Confident	62.6	Low	68 Å²	68	71.7 Å²	71.7	41%	0.412	47%	0.467	S	S	.	.	H	α-helix	trans	-117	-17.7	-173.8	-173.4	0	0	0	0	112.2	A656 Y673 A679	A656-V677 HydrophobicContact CB-CG2 4.09Å; Y673-V677 HydrophobicContact CD2-CB 4.42Å; Y673-V677 HydrophobicContact CD2-CG2 3.74Å; Y673-V677 HydrophobicContact CE2-CB 4.23Å; Y673-V677 HydrophobicContact CE2-CG1 4.31Å; Y673-V677 HydrophobicContact CE2-CG2 3.7Å; Y673-V677 HydrophobicContact CG-CG2 4.37Å; Y673-V677 VanDerWaalsContact O-CB 3.24Å; Y673-V677 WeakPolarHBondContact O-CB 3.44Å; Y673-V677 WeakPolarHBondContact O-CG2 3.42Å; Y673-V677 PolarHBondContact O-N 3.2Å; V677-A679 HydrophobicContact CG1-CB 4.27Å; V677-A679 PolarHBondContact O-N 3.33Å
678	G	61.7	Low	60.1	Low	72 Å²	72	72.1 Å²	72.1	74%	0.742	49%	0.485	S	S	*	.			trans	70	5.1	178.8	0	0	0	0	0	114.6	V674	V674-G678 WeakPolarHBondContact O-CA 3.37Å; V674-G678 PolarHBondContact O-N 3.24Å
679	A	56.3	Low	57.5	Low	45 Å²	45	78 Å²	78	37%	0.372	53%	0.526	S	S	.	.			trans	-110.7	121.9	-178.4	0	0	0	0	0	110.5	V677	V677-A679 HydrophobicContact CG1-CB 4.27Å; V677-A679 PolarHBondContact O-N 3.33Å
680	S	49.8	Very low	55.2	Low	105 Å²	105	81.9 Å²	81.9	73%	0.734	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-72.5	131.2	167.6	-169.4	0	0	0	0	109.4
681	P	49.6	Very low	53.1	Low	53 Å²	53	89.8 Å²	89.8	34%	0.344	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-64.1	143.9	173.9	27.5	-33.6	0	0	0	110.8	F654	F654-P681 HydrophobicContact CE1-CB 3.96Å; F654-P681 HydrophobicContact CE1-CG 4.1Å; F654-P681 HydrophobicContact CZ-CG 4.33Å
682	S	43	Very low	51.2	Low	102 Å²	102	97.2 Å²	97.2	71%	0.713	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-62.6	148.3	-178.3	44.5	0	0	0	0	112.1	G684	S682-G684 PolarHBondContact O-N 3.36Å
683	P	43.3	Very low	49	Very low	139 Å²	139	108.2 Å²	108.2	90%	0.903	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	53	-166.6	33.2	-38.3	0	0	0	113.9
684	G	41.2	Very low	46.8	Very low	78 Å²	78	113.3 Å²	113.3	80%	0.804	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	-5.8	179.3	0	0	0	0	0	115.7	S682	S682-G684 PolarHBondContact O-N 3.36Å
685	A	37.1	Very low	45.1	Very low	89 Å²	89	113.1 Å²	113.1	74%	0.736	67%	0.672	S	S	*	*	S	Bend	trans	-129.9	8.8	-169.3	0	0	0	0	0	115.4
686	M	36.5	Very low	43.9	Very low	176 Å²	176	115.8 Å²	115.8	87%	0.867	68%	0.681	S	S	*	*			trans	-108.3	76.7	-177.8	-71.8	-97.4	65.1	0	0	111.7
687	S	33.4	Very low	42.6	Very low	109 Å²	109	115 Å²	115	76%	0.762	68%	0.677	S	S	*	*			trans	-87.4	112.2	168.5	-169	0	0	0	0	110.9
688	S	35.8	Very low	41.6	Very low	108 Å²	108	114.7 Å²	114.7	76%	0.755	67%	0.671	S	S	*	*			trans	42.4	102.5	161.4	66.2	0	0	0	0	118.7
689	S	31.4	Very low	41.4	Very low	123 Å²	123	113.7 Å²	113.7	86%	0.86	65%	0.646	S	S	*	*				-118.9	125.1	124.3	60.3	0	0	0	0	108.7
690	S	32.7	Very low	41.3	Very low	82 Å²	82	112.9 Å²	112.9	57%	0.573	63%	0.634	S	S	*	*			trans	-69.6	138	179.6	56.7	0	0	0	0	110.6	R692	S690-R692 PolarHBondContact O-N 3.06Å
691	Q	33.6	Very low	41.7	Very low	206 Å²	206	107.9 Å²	107.9	96%	0.963	60%	0.599	S	S	*	*			trans	-57.5	97	162.2	-71.9	175.2	-35.1	0	0	109.6
692	R	32.5	Very low	41.7	Very low	218 Å²	218	106.4 Å²	106.4	82%	0.823	59%	0.591	S	S	*	*			trans	-86.3	136.9	164.7	-69.6	-175.2	175.5	-170.2	-3	107.3	S690 R694	S690-R692 PolarHBondContact O-N 3.06Å; R692-R694 PolarHBondContact O-N 2.86Å
693	R	31	Very low	42.2	Very low	240 Å²	240	106.1 Å²	106.1	91%	0.906	58%	0.58	S	S	*	*			trans	-54.9	138.4	172.5	-76.2	177.9	164.9	179	-6.3	109.4	S695	R693-S695 PolarHBondContact O-N 2.83Å
694	R	32.1	Very low	42.8	Very low	164 Å²	164	99.9 Å²	99.9	62%	0.619	54%	0.541	S	S	*	.			trans	-44.6	126.4	172.5	-86.8	176.3	165.2	147.9	-6.9	109.6	E595 R692 E698	E595-R694 IonicContact OE2-CZ 3.9Å; E595-R694 IonicContact OE2-NE 3.95Å; E595-R694 PolarHBondContact OE2-NE 3.26Å; E595-R694 IonicContact OE2-NH2 3Å; E595-R694 PolarHBondContact OE2-NH2 3.2Å; R692-R694 PolarHBondContact O-N 2.86Å; R694-E698 VanDerWaalsContact CA-OE2 3.26Å; R694-E698 WeakPolarHBondContact CA-OE2 3.35Å
695	S	39.9	Very low	43.5	Very low	53 Å²	53	97 Å²	97	37%	0.371	51%	0.51	S	S	.	.			trans	-97.2	143.9	-177.8	-169.5	0	0	0	0	110	R693 L697 E698	R693-S695 PolarHBondContact O-N 2.83Å; S695-L697 PolarHBondContact O-N 3.21Å; S695-E698 WeakPolarHBondContact CB-OE1 3.33Å; S695-E698 PolarHBondContact N-OE2 3.3Å; S695-E698 WeakPolarHBondContact O-CB 3.22Å; S695-E698 PolarHBondContact O-N 2.82Å
696	I	47.6	Very low	44.2	Very low	144 Å²	144	98.9 Å²	98.9	74%	0.738	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	1.6	-173.1	-148.6	165.7	0	0	0	115.5
697	L	49.5	Very low	45.5	Very low	42 Å²	42	95.6 Å²	95.6	22%	0.22	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-9.2	175.7	-65.1	170.4	0	0	0	113.3	S695 K699 K750 A751 S754	S695-L697 PolarHBondContact O-N 3.21Å; L697-K699 PolarHBondContact O-N 3.11Å; L697-K750 HydrophobicContact CB-CG 4.37Å; L697-K750 VanDerWaalsContact O-CG 3.31Å; L697-K750 WeakPolarHBondContact O-CG 3.44Å; L697-A751 HydrophobicContact CD2-CB 4.28Å; L697-A751 PolarHBondContact O-N 2.89Å; L697-S754 WeakPolarHBondContact CD2-OG 3.27Å
698	E	55.2	Low	47.5	Very low	61 Å²	61	91.4 Å²	91.4	29%	0.285	46%	0.46	S	S	.	.			trans	-75.1	74.9	175.2	-78.7	137.8	-144.3	0	0	110.5	R694 S695 K750	R694-E698 VanDerWaalsContact CA-OE2 3.26Å; R694-E698 WeakPolarHBondContact CA-OE2 3.35Å; S695-E698 WeakPolarHBondContact CB-OE1 3.33Å; S695-E698 PolarHBondContact N-OE2 3.3Å; S695-E698 WeakPolarHBondContact O-CB 3.22Å; S695-E698 PolarHBondContact O-N 2.82Å; E698-K750 HydrophobicContact CG-CD 3.95Å; E698-K750 HydrophobicContact CG-CG 4.27Å; E698-K750 IonicContact OE1-NZ 3.49Å; E698-K750 PolarHBondContact OE1-NZ 2.87Å
699	K	58.4	Low	49.6	Very low	51 Å²	51	87.9 Å²	87.9	22%	0.222	43%	0.434	C	S	.	.			trans	-125.8	142.7	164.3	-67.4	-172.3	178.4	179.1	0	108.2	L697 E736 Y741 Y743 V749 K750	L697-K699 PolarHBondContact O-N 3.11Å; K699-E736 IonicContact NZ-OE1 3.86Å; K699-E736 PolarHBondContact NZ-OE1 3.41Å; K699-E736 IonicContact NZ-OE2 2.71Å; K699-E736 PolarHBondContact NZ-OE2 3.4Å; K699-Y741 HydrophobicContact CD-CE1 4.1Å; K699-Y741 HydrophobicContact CD-CE2 4.17Å; K699-Y741 WeakPolarHBondContact CE-OH 3.18Å; K699-Y741 PolarHBondContact NZ-OH 3.48Å; K699-Y741 VanDerWaalsContact NZ-OH 3.13Å; K699-Y743 WeakPolarHBondContact O-CE1 3.43Å; K699-V749 CarbonylContact O-C 3.49Å; K699-K750 WeakPolarHBondContact O-CA 3.42Å; K699-K750 PolarHBondContact O-N 2.83Å
700	Q	54.6	Low	52.2	Low	27 Å²	27	82.5 Å²	82.5	13%	0.126	40%	0.395	C	S	.	.			trans	-87.3	131.3	177.2	-178.1	175.2	-55.8	0	0	110.7	S702 L703 A704 D748 V749	Q700-S702 VanDerWaalsContact C-N 3.27Å; Q700-S702 PolarHBondContact NE2-OG 2.88Å; Q700-S702 PolarHBondContact O-N 3.42Å; Q700-L703 HydrophobicContact CB-CB 4.42Å; Q700-L703 HydrophobicContact CB-CD1 4.08Å; Q700-L703 HydrophobicContact CB-CG 4.16Å; Q700-L703 HydrophobicContact CG-CG 4.44Å; Q700-L703 PolarHBondContact O-N 2.76Å; Q700-A704 WeakPolarHBondContact O-CB 3.48Å; Q700-A704 PolarHBondContact O-N 2.69Å; Q700-D748 WeakPolarHBondContact CA-O 3.35Å; Q700-V749 HydrophobicContact CG-CG1 4.32Å
701	A	56.9	Low	54.8	Low	0 Å²	0	80.6 Å²	80.6	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-57.7	-33.1	-174.3	0	0	0	0	0	114.4	A705 Y743 A745 P746 D748	A701-A705 VanDerWaalsContact O-CB 3.26Å; A701-A705 WeakPolarHBondContact O-CB 3.06Å; A701-A705 PolarHBondContact O-N 3.03Å; A701-Y743 HydrophobicContact CB-CD1 3.55Å; A701-Y743 HydrophobicContact CB-CD2 3.9Å; A701-Y743 HydrophobicContact CB-CE1 3.82Å; A701-Y743 HydrophobicContact CB-CE2 4.14Å; A701-Y743 HydrophobicContact CB-CG 3.58Å; A701-A745 WeakPolarHBondContact CB-O 3.26Å; A701-P746 CarbonylContact C-O 3.57Å; A701-P746 WeakPolarHBondContact CB-O 3.49Å; A701-D748 WeakPolarHBondContact CB-O 3.33Å; A701-D748 PolarHBondContact N-O 3.06Å
702	S	50.6	Low	57.3	Low	23 Å²	23	71.4 Å²	71.4	16%	0.161	34%	0.34	C	S	.	.	H	α-helix	trans	-75.7	-44.3	177.6	74.8	0	0	0	0	112.4	Q700 A704 A705 E706 P746	Q700-S702 VanDerWaalsContact C-N 3.27Å; Q700-S702 PolarHBondContact NE2-OG 2.88Å; Q700-S702 PolarHBondContact O-N 3.42Å; S702-A704 VanDerWaalsContact C-N 3.28Å; S702-A704 PolarHBondContact O-N 3.1Å; S702-A705 WeakPolarHBondContact O-CB 3.13Å; S702-A705 PolarHBondContact O-N 2.87Å; S702-E706 WeakPolarHBondContact O-CG 3.06Å; S702-E706 PolarHBondContact O-N 3.41Å; S702-P746 PolarHBondContact N-O 3.48Å
703	L	53	Low	60	Low	95 Å²	95	64.3 Å²	64.3	50%	0.497	32%	0.315	S	S	.	.	H	α-helix	trans	-64.9	-36.4	177.8	-60.9	179.7	0	0	0	111.2	Q700 A705	Q700-L703 HydrophobicContact CB-CB 4.42Å; Q700-L703 HydrophobicContact CB-CD1 4.08Å; Q700-L703 HydrophobicContact CB-CG 4.16Å; Q700-L703 HydrophobicContact CG-CG 4.44Å; Q700-L703 PolarHBondContact O-N 2.76Å; L703-A705 VanDerWaalsContact C-N 3.29Å; L703-A705 PolarHBondContact O-N 3.2Å
704	A	55.5	Low	62.7	Low	9 Å²	9	53 Å²	53	7%	0.074	27%	0.272	C	S	.	.	H	α-helix	trans	-67.1	-30	173	0	0	0	0	0	112.4	Q700 S702 S708 V731 P733	Q700-A704 WeakPolarHBondContact O-CB 3.48Å; Q700-A704 PolarHBondContact O-N 2.69Å; S702-A704 VanDerWaalsContact C-N 3.28Å; S702-A704 PolarHBondContact O-N 3.1Å; A704-S708 WeakPolarHBondContact O-CB 3.41Å; A704-V731 HydrophobicContact CB-CB 4.47Å; A704-V731 HydrophobicContact CB-CG1 3.81Å; A704-V731 WeakPolarHBondContact O-CG1 3.5Å; A704-P733 HydrophobicContact CB-CG 4.4Å
705	A	55.8	Low	65.4	Low	18 Å²	18	47.1 Å²	47.1	15%	0.149	25%	0.252	C	S	.	.	H	α-helix	trans	-84.2	-37	-177.1	0	0	0	0	0	113.5	A701 S702 L703 N707 S708 C711 W729	A701-A705 VanDerWaalsContact O-CB 3.26Å; A701-A705 WeakPolarHBondContact O-CB 3.06Å; A701-A705 PolarHBondContact O-N 3.03Å; S702-A705 WeakPolarHBondContact O-CB 3.13Å; S702-A705 PolarHBondContact O-N 2.87Å; L703-A705 VanDerWaalsContact C-N 3.29Å; L703-A705 PolarHBondContact O-N 3.2Å; A705-N707 VanDerWaalsContact C-N 3.26Å; A705-N707 PolarHBondContact O-N 2.89Å; A705-S708 WeakPolarHBondContact O-CB 3.29Å; A705-S708 PolarHBondContact O-N 3.47Å; A705-S708 PolarHBondContact O-OG 2.96Å; A705-C711 HydrophobicContact CB-CB 4Å; A705-W729 HydrophobicContact CB-CZ2 4.04Å
706	E	52.8	Low	67.6	Low	128 Å²	128	45.7 Å²	45.7	60%	0.598	24%	0.24	S	C	*	.	H	α-helix	trans	-59.7	-35.5	179.3	-76.1	164.8	-161.1	0	0	112.1	S702	S702-E706 WeakPolarHBondContact O-CG 3.06Å; S702-E706 PolarHBondContact O-N 3.41Å
707	N	63.5	Low	69.4	Low	106 Å²	106	41.5 Å²	41.5	57%	0.567	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.7	65.2	171.9	-59.2	-9.3	0	0	0	110.2	A705 E734	A705-N707 VanDerWaalsContact C-N 3.26Å; A705-N707 PolarHBondContact O-N 2.89Å; N707-E734 PolarHBondContact O-N 3.29Å
708	S	75.4	Confident	71.1	Confident	22 Å²	22	42.7 Å²	42.7	15%	0.154	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	139.1	179.3	63.4	0	0	0	0	113.7	A704 A705 I710 C711 I732	A704-S708 WeakPolarHBondContact O-CB 3.41Å; A705-S708 WeakPolarHBondContact O-CB 3.29Å; A705-S708 PolarHBondContact O-N 3.47Å; A705-S708 PolarHBondContact O-OG 2.96Å; S708-I710 PolarHBondContact O-N 2.93Å; S708-C711 WeakPolarHBondContact OG-CB 3.31Å; S708-C711 PolarHBondContact OG-SG 3.39Å; S708-I732 CarbonylContact C-O 3.53Å; S708-I732 WeakPolarHBondContact CA-O 3.32Å; S708-I732 WeakPolarHBondContact CB-O 3.45Å
709	V	79.7	Confident	72.2	Confident	34 Å²	34	45.2 Å²	45.2	21%	0.206	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	-37.3	167.4	-167.9	0	0	0	0	109.7	I732 E734 P737 V802 P812	V709-I732 HydrophobicContact CB-CG2 4.27Å; V709-I732 HydrophobicContact CG2-CG2 4.2Å; V709-I732 PolarHBondContact N-O 2.84Å; V709-E734 HydrophobicContact CG2-CB 4.5Å; V709-E734 HydrophobicContact CG2-CG 4.09Å; V709-P737 HydrophobicContact CG2-CB 4.08Å; V709-V802 HydrophobicContact CB-CG1 4.18Å; V709-V802 HydrophobicContact CG1-CG1 3.64Å; V709-V802 HydrophobicContact CG1-CG2 4.02Å; V709-P812 HydrophobicContact CG1-CG 4.38Å; V709-P812 HydrophobicContact CG2-CG 3.91Å
710	I	84.9	Confident	72.7	Confident	9 Å²	9	46.8 Å²	46.8	5%	0.046	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	140.6	167.5	-169.1	163	0	0	0	111.2	S708 I732 R798 W799 V802	S708-I710 PolarHBondContact O-N 2.93Å; I710-I732 HydrophobicContact CG2-CB 4.26Å; I710-I732 HydrophobicContact CG2-CD1 4Å; I710-I732 HydrophobicContact CG2-CG1 4.33Å; I710-I732 PolarHBondContact O-N 2.95Å; I710-R798 HydrophobicContact CD1-CB 3.97Å; I710-W799 HydrophobicContact CD1-CB 4.36Å; I710-W799 HydrophobicContact CD1-CD2 3.7Å; I710-W799 HydrophobicContact CD1-CE3 4.35Å; I710-W799 HydrophobicContact CD1-CG 3.67Å; I710-W799 HydrophobicContact CD1-CZ2 4.47Å; I710-W799 HydrophobicContact CG1-CD2 4.12Å; I710-W799 HydrophobicContact CG1-CH2 4.48Å; I710-W799 HydrophobicContact CG1-CZ2 4.02Å; I710-W799 HydrophobicContact CG2-CD2 4.09Å; I710-W799 HydrophobicContact CG2-CE3 3.69Å; I710-W799 HydrophobicContact CG2-CH2 3.74Å; I710-W799 HydrophobicContact CG2-CZ2 4.14Å; I710-W799 HydrophobicContact CG2-CZ3 3.51Å; I710-V802 HydrophobicContact CB-CG2 4.48Å; I710-V802 HydrophobicContact CG2-CB 4.13Å; I710-V802 HydrophobicContact CG2-CG1 3.88Å; I710-V802 HydrophobicContact CG2-CG2 4.31Å
711	C	88.7	Confident	73.2	Confident	42 Å²	42	46.8 Å²	46.8	28%	0.284	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	139.8	166.6	68.8	0	0	0	0	111.5	A705 S708 W729 F730 V731	A705-C711 HydrophobicContact CB-CB 4Å; S708-C711 WeakPolarHBondContact OG-CB 3.31Å; S708-C711 PolarHBondContact OG-SG 3.39Å; C711-W729 HydrophobicContact CB-CH2 4.37Å; C711-W729 HydrophobicContact CB-CZ2 3.71Å; C711-F730 VanDerWaalsContact CA-O 3.24Å; C711-F730 WeakPolarHBondContact CA-O 3.18Å; C711-V731 HydrophobicContact CB-CB 4.41Å; C711-V731 HydrophobicContact CB-CG1 4.18Å; C711-V731 HydrophobicContact CB-CG2 4.05Å
712	S	85.9	Confident	73.3	Confident	13 Å²	13	50.9 Å²	50.9	9%	0.091	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165	172.3	169.1	80.8	0	0	0	0	111.2	W729 F730 W799	S712-W729 VanDerWaalsContact C-CZ3 3.43Å; S712-F730 PolarHBondContact N-O 2.88Å; S712-F730 PolarHBondContact O-N 2.85Å; S712-W799 PolarHBondContact OG-NE1 3.02Å
713	F	87.9	Confident	74.1	Confident	70 Å²	70	57.4 Å²	57.4	31%	0.307	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	143.2	155.6	-71	-76.3	0	0	0	110.1	K727 A728 W729 P746	F713-K727 HydrophobicContact CB-CD 4.5Å; F713-K727 HydrophobicContact CB-CG 4.39Å; F713-K727 HydrophobicContact CD1-CD 4.42Å; F713-K727 HydrophobicContact CD1-CG 4.16Å; F713-A728 WeakPolarHBondContact CA-O 3.47Å; F713-W729 HydrophobicContact CB-CE3 4.47Å; F713-W729 HydrophobicContact CD1-CB 4.2Å; F713-W729 HydrophobicContact CD1-CE3 4.03Å; F713-W729 AromaticContact CD2-CE3 3.64Å; F713-W729 HydrophobicContact CD2-CE3 3.64Å; F713-W729 AromaticContact CD2-CZ3 3.8Å; F713-W729 HydrophobicContact CD2-CZ3 3.8Å; F713-W729 HydrophobicContact CE1-CB 4.09Å; F713-W729 HydrophobicContact CE1-CE3 4.13Å; F713-W729 AromaticContact CE2-CE3 3.75Å; F713-W729 HydrophobicContact CE2-CE3 3.75Å; F713-W729 AromaticContact CE2-CZ3 3.99Å; F713-W729 HydrophobicContact CE2-CZ3 3.99Å; F713-W729 AromaticContact CG-CE3 3.78Å; F713-W729 HydrophobicContact CG-CE3 3.78Å; F713-W729 HydrophobicContact CG-CZ3 4.31Å; F713-W729 HydrophobicContact CZ-CE3 4Å; F713-W729 VanDerWaalsContact N-CE3 3.33Å; F713-P746 HydrophobicContact CE2-CG 4.48Å; F713-P746 HydrophobicContact CZ-CG 4Å
714	L	88.4	Confident	75.2	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	156.2	163	-63.5	173.2	0	0	0	108.9	K727 A728 F730 F777 F788 A790 W799	L714-K727 WeakPolarHBondContact O-CA 3.19Å; L714-A728 PolarHBondContact N-O 3.04Å; L714-A728 PolarHBondContact O-N 2.98Å; L714-F730 HydrophobicContact CB-CD2 3.61Å; L714-F730 HydrophobicContact CB-CE2 3.8Å; L714-F730 HydrophobicContact CB-CG 4.48Å; L714-F730 HydrophobicContact CD1-CB 4.37Å; L714-F730 HydrophobicContact CD1-CD2 4.15Å; L714-F730 HydrophobicContact CD1-CG 4.22Å; L714-F730 HydrophobicContact CG-CD2 4.09Å; L714-F777 HydrophobicContact CD1-CZ 4.17Å; L714-F788 HydrophobicContact CB-CD1 4.41Å; L714-F788 HydrophobicContact CD1-CB 4.41Å; L714-F788 HydrophobicContact CD1-CD1 3.92Å; L714-F788 HydrophobicContact CD1-CG 4.31Å; L714-A790 HydrophobicContact CD2-CB 3.85Å; L714-W799 HydrophobicContact CD1-CD2 3.9Å; L714-W799 HydrophobicContact CD1-CE3 4.36Å; L714-W799 HydrophobicContact CD1-CG 4.22Å; L714-W799 HydrophobicContact CD1-CZ2 4.12Å; L714-W799 HydrophobicContact CD2-CG 4.48Å; L714-W799 HydrophobicContact CG-CZ2 4.49Å
715	H	88.3	Confident	76.5	Confident	42 Å²	42	57 Å²	57	19%	0.194	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	139.1	158.1	-63.8	89.3	0	0	0	108.4	W725 Q726 F788 S789	H715-W725 HydrophobicContact CB-CE3 3.77Å; H715-W725 HydrophobicContact CB-CZ3 4.25Å; H715-W725 WeakPolarHBondContact O-CZ3 3.32Å; H715-Q726 WeakPolarHBondContact CA-O 3.43Å; H715-F788 CarbonylContact O-C 3.51Å; H715-F788 VanDerWaalsContact O-CA 3.28Å; H715-F788 WeakPolarHBondContact O-CA 3.2Å; H715-S789 PolarHBondContact N-O 2.9Å; H715-S789 PolarHBondContact O-N 3.44Å
716	H	87.6	Confident	77.8	Confident	23 Å²	23	60.5 Å²	60.5	11%	0.106	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	157.4	176.7	80	-57.3	0	0	0	113.3	W725 Q726 F730 Y787 F788	H716-W725 WeakPolarHBondContact O-CA 3.37Å; H716-Q726 PolarHBondContact N-O 2.74Å; H716-Q726 PolarHBondContact ND1-O 2.9Å; H716-Q726 PolarHBondContact O-N 3.19Å; H716-F730 HydrophobicContact CB-CE2 4.34Å; H716-F730 HydrophobicContact CB-CZ 3.77Å; H716-F730 AromaticContact CG-CZ 3.63Å; H716-F730 AromaticContact ND1-CZ 3.85Å; H716-Y787 CarbonylContact C-O 3.41Å; H716-Y787 VanDerWaalsContact CA-O 3.23Å; H716-Y787 WeakPolarHBondContact CA-O 3.45Å; H716-F788 HydrophobicContact CB-CD1 3.66Å; H716-F788 HydrophobicContact CB-CE1 3.7Å
717	M	85.7	Confident	79.3	Confident	56 Å²	56	59.2 Å²	59.2	28%	0.276	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	143.7	175.1	170.3	176.8	-82.7	0	0	109.5	W725 Y787	M717-W725 HydrophobicContact CB-CD2 3.97Å; M717-W725 HydrophobicContact CB-CE3 4.08Å; M717-W725 HydrophobicContact CB-CG 4.41Å; M717-W725 HydrophobicContact CB-CZ3 4.43Å; M717-W725 HydrophobicContact CE-CG 4.13Å; M717-Y787 PolarHBondContact N-O 2.9Å; M717-Y787 PolarHBondContact O-N 3.48Å
718	E	83.6	Confident	80.4	Confident	66 Å²	66	54.3 Å²	54.3	31%	0.308	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.2	179.5	-171	165	124.2	0	0	110.6	G720 G721 R753 L784 L786	E718-G720 PolarHBondContact O-N 3.38Å; E718-G720 VanDerWaalsContact O-N 3.08Å; E718-G721 PolarHBondContact O-N 3.27Å; E718-R753 IonicContact OE2-CZ 2.74Å; E718-R753 IonicContact OE2-NH1 3.34Å; E718-R753 PolarHBondContact OE2-NH1 3.2Å; E718-R753 IonicContact OE2-NH2 2.95Å; E718-R753 PolarHBondContact OE2-NH2 2.7Å; E718-L784 HydrophobicContact CG-CD1 4.06Å; E718-L786 HydrophobicContact CB-CD2 3.88Å; E718-L786 HydrophobicContact CG-CD2 3.66Å; E718-L786 VanDerWaalsContact OE2-CD2 3.28Å; E718-L786 WeakPolarHBondContact OE2-CD2 3.27Å
719	K	78.3	Confident	80.9	Confident	115 Å²	115	54.9 Å²	54.9	50%	0.5	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	110.8	-173.2	-161.3	165.6	-170.8	152.6	0	110.4	D769 T785 Y787	K719-D769 IonicContact NZ-OD1 3.18Å; K719-D769 PolarHBondContact NZ-OD1 3.22Å; K719-T785 HydrophobicContact CB-CG2 4.48Å; K719-T785 HydrophobicContact CD-CG2 4.13Å; K719-T785 PolarHBondContact N-O 3.24Å; K719-Y787 HydrophobicContact CB-CE2 3.93Å; K719-Y787 HydrophobicContact CD-CE2 4.03Å; K719-Y787 WeakPolarHBondContact CD-OH 3.43Å; K719-Y787 WeakPolarHBondContact CE-OH 3.48Å; K719-Y787 HydrophobicContact CG-CE2 4.07Å; K719-Y787 PolarHBondContact NZ-OH 3.45Å
720	G	69.8	Low	81.3	Confident	83 Å²	83	53.4 Å²	53.4	86%	0.856	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	90	-3.5	-175	0	0	0	0	0	115.5	E718 G722	E718-G720 PolarHBondContact O-N 3.38Å; E718-G720 VanDerWaalsContact O-N 3.08Å; G720-G722 PolarHBondContact O-N 2.75Å
721	G	64	Low	81.4	Confident	28 Å²	28	53 Å²	53	29%	0.289	31%	0.305	S	S	.	.			trans	-71.4	6.2	-173.2	0	0	0	0	0	117	E718 R723	E718-G721 PolarHBondContact O-N 3.27Å; G721-R723 PolarHBondContact O-N 3.33Å
722	G	60.6	Low	81.2	Confident	85 Å²	85	51 Å²	51	88%	0.876	29%	0.292	S	S	*	.	S	Bend	trans	65.8	-14.3	176.3	0	0	0	0	0	117	G720	G720-G722 PolarHBondContact O-N 2.75Å
723	R	66	Low	81	Confident	160 Å²	160	50.5 Å²	50.5	60%	0.604	29%	0.288	S	S	*	.			trans	-99.1	143.1	179.7	-66.5	-174	-68.7	-79.9	-0.3	111.2	G721	G721-R723 PolarHBondContact O-N 3.33Å
724	G	77.1	Confident	80.5	Confident	49 Å²	49	52.8 Å²	52.8	51%	0.505	30%	0.3	S	S	.	.			trans	-67.7	178	169.3	0	0	0	0	0	112.6	Q726	G724-Q726 VanDerWaalsContact O-CG 3.3Å; G724-Q726 WeakPolarHBondContact O-CG 3.48Å; G724-Q726 PolarHBondContact O-N 2.86Å
725	W	82.3	Confident	79.7	Confident	47 Å²	47	58.9 Å²	58.9	18%	0.178	33%	0.333	C	S	.	.			trans	-56.1	127.7	179.5	-73.3	90.6	0	0	0	112.8	H715 H716 M717 L771 R773	H715-W725 HydrophobicContact CB-CE3 3.77Å; H715-W725 HydrophobicContact CB-CZ3 4.25Å; H715-W725 WeakPolarHBondContact O-CZ3 3.32Å; H716-W725 WeakPolarHBondContact O-CA 3.37Å; M717-W725 HydrophobicContact CB-CD2 3.97Å; M717-W725 HydrophobicContact CB-CE3 4.08Å; M717-W725 HydrophobicContact CB-CG 4.41Å; M717-W725 HydrophobicContact CB-CZ3 4.43Å; M717-W725 HydrophobicContact CE-CG 4.13Å; W725-L771 HydrophobicContact CH2-CD2 3.86Å; W725-L771 HydrophobicContact CZ2-CD2 3.61Å; W725-L771 HydrophobicContact CZ2-CG 3.92Å; W725-R773 VanDerWaalsContact CD1-NH1 3.29Å; W725-R773 VanDerWaalsContact CG-NH1 3.32Å
726	Q	82.4	Confident	79.1	Confident	91 Å²	91	60.2 Å²	60.2	43%	0.425	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.1	178.7	-48.9	-166.8	-100.1	0	0	110.5	H715 H716 G724	H715-Q726 WeakPolarHBondContact CA-O 3.43Å; H716-Q726 PolarHBondContact N-O 2.74Å; H716-Q726 PolarHBondContact ND1-O 2.9Å; H716-Q726 PolarHBondContact O-N 3.19Å; G724-Q726 VanDerWaalsContact O-CG 3.3Å; G724-Q726 WeakPolarHBondContact O-CG 3.48Å; G724-Q726 PolarHBondContact O-N 2.86Å
727	K	85.8	Confident	78.8	Confident	101 Å²	101	59.5 Å²	59.5	44%	0.439	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	131.2	170.9	-166.4	172.6	-172.4	171.6	0	109.2	F713 L714 E791	F713-K727 HydrophobicContact CB-CD 4.5Å; F713-K727 HydrophobicContact CB-CG 4.39Å; F713-K727 HydrophobicContact CD1-CD 4.42Å; F713-K727 HydrophobicContact CD1-CG 4.16Å; L714-K727 WeakPolarHBondContact O-CA 3.19Å; K727-E791 VanDerWaalsContact CE-OE1 3.29Å; K727-E791 WeakPolarHBondContact CE-OE1 3.2Å; K727-E791 IonicContact NZ-OE1 3.48Å; K727-E791 PolarHBondContact NZ-OE1 2.73Å
728	A	85.6	Confident	78.6	Confident	3 Å²	3	58.5 Å²	58.5	3%	0.025	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	163.4	177.2	0	0	0	0	0	109.8	F713 L714 F730 V742 Y743	F713-A728 WeakPolarHBondContact CA-O 3.47Å; L714-A728 PolarHBondContact N-O 3.04Å; L714-A728 PolarHBondContact O-N 2.98Å; A728-F730 HydrophobicContact CB-CD2 4.36Å; A728-F730 HydrophobicContact CB-CE2 3.6Å; A728-F730 HydrophobicContact CB-CZ 3.93Å; A728-F730 WeakPolarHBondContact O-CD2 3.33Å; A728-F730 WeakPolarHBondContact O-CE2 3.49Å; A728-V742 HydrophobicContact CB-CG1 3.9Å; A728-Y743 WeakPolarHBondContact CB-O 3.49Å
729	W	85.8	Confident	78.6	Confident	35 Å²	35	56.8 Å²	56.8	13%	0.133	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.8	175.5	179.4	-101.8	0	0	0	109.4	A705 C711 S712 F713 Y743 P746	A705-W729 HydrophobicContact CB-CZ2 4.04Å; C711-W729 HydrophobicContact CB-CH2 4.37Å; C711-W729 HydrophobicContact CB-CZ2 3.71Å; S712-W729 VanDerWaalsContact C-CZ3 3.43Å; F713-W729 HydrophobicContact CB-CE3 4.47Å; F713-W729 HydrophobicContact CD1-CB 4.2Å; F713-W729 HydrophobicContact CD1-CE3 4.03Å; F713-W729 AromaticContact CD2-CE3 3.64Å; F713-W729 HydrophobicContact CD2-CE3 3.64Å; F713-W729 AromaticContact CD2-CZ3 3.8Å; F713-W729 HydrophobicContact CD2-CZ3 3.8Å; F713-W729 HydrophobicContact CE1-CB 4.09Å; F713-W729 HydrophobicContact CE1-CE3 4.13Å; F713-W729 AromaticContact CE2-CE3 3.75Å; F713-W729 HydrophobicContact CE2-CE3 3.75Å; F713-W729 AromaticContact CE2-CZ3 3.99Å; F713-W729 HydrophobicContact CE2-CZ3 3.99Å; F713-W729 AromaticContact CG-CE3 3.78Å; F713-W729 HydrophobicContact CG-CE3 3.78Å; F713-W729 HydrophobicContact CG-CZ3 4.31Å; F713-W729 HydrophobicContact CZ-CE3 4Å; F713-W729 VanDerWaalsContact N-CE3 3.33Å; W729-Y743 AromaticContact CD1-CD2 3.93Å; W729-Y743 PolarHBondContact N-O 3.46Å; W729-Y743 PolarHBondContact O-N 2.95Å; W729-P746 HydrophobicContact CD2-CB 3.76Å; W729-P746 HydrophobicContact CD2-CG 4.35Å; W729-P746 HydrophobicContact CE3-CB 4.21Å; W729-P746 HydrophobicContact CE3-CG 4.39Å; W729-P746 HydrophobicContact CG-CB 4.01Å; W729-P746 HydrophobicContact CZ2-CB 4.24Å
730	F	88.3	Confident	78.9	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.009	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	139.3	-173.9	-70.5	-91	0	0	0	110.2	C711 S712 L714 H716 A728 L740 Y741 V742 F788 W799	C711-F730 VanDerWaalsContact CA-O 3.24Å; C711-F730 WeakPolarHBondContact CA-O 3.18Å; S712-F730 PolarHBondContact N-O 2.88Å; S712-F730 PolarHBondContact O-N 2.85Å; L714-F730 HydrophobicContact CB-CD2 3.61Å; L714-F730 HydrophobicContact CB-CE2 3.8Å; L714-F730 HydrophobicContact CB-CG 4.48Å; L714-F730 HydrophobicContact CD1-CB 4.37Å; L714-F730 HydrophobicContact CD1-CD2 4.15Å; L714-F730 HydrophobicContact CD1-CG 4.22Å; L714-F730 HydrophobicContact CG-CD2 4.09Å; H716-F730 HydrophobicContact CB-CE2 4.34Å; H716-F730 HydrophobicContact CB-CZ 3.77Å; H716-F730 AromaticContact CG-CZ 3.63Å; H716-F730 AromaticContact ND1-CZ 3.85Å; A728-F730 HydrophobicContact CB-CD2 4.36Å; A728-F730 HydrophobicContact CB-CE2 3.6Å; A728-F730 HydrophobicContact CB-CZ 3.93Å; A728-F730 WeakPolarHBondContact O-CD2 3.33Å; A728-F730 WeakPolarHBondContact O-CE2 3.49Å; F730-L740 HydrophobicContact CB-CD1 4.18Å; F730-L740 HydrophobicContact CD1-CD1 4.07Å; F730-L740 HydrophobicContact CD1-CD2 4.15Å; F730-L740 HydrophobicContact CD1-CG 4.22Å; F730-Y741 WeakPolarHBondContact CA-O 3.22Å; F730-V742 HydrophobicContact CD1-CB 4.31Å; F730-V742 HydrophobicContact CD1-CG1 4.08Å; F730-V742 HydrophobicContact CD1-CG2 3.7Å; F730-V742 HydrophobicContact CE1-CB 4.04Å; F730-V742 HydrophobicContact CE1-CG1 3.51Å; F730-V742 HydrophobicContact CE1-CG2 3.43Å; F730-V742 VanDerWaalsContact CE1-CG2 3.43Å; F730-V742 HydrophobicContact CE2-CG1 4.42Å; F730-V742 HydrophobicContact CZ-CG1 3.69Å; F730-V742 HydrophobicContact CZ-CG2 4.42Å; F730-F788 HydrophobicContact CD1-CE1 4.15Å; F730-F788 HydrophobicContact CE1-CD1 4.5Å; F730-F788 AromaticContact CE1-CE1 3.57Å; F730-F788 HydrophobicContact CE1-CE1 3.57Å; F730-F788 HydrophobicContact CE1-CZ 4.32Å; F730-F788 HydrophobicContact CE2-CE1 4.49Å; F730-F788 HydrophobicContact CZ-CD1 4.38Å; F730-F788 AromaticContact CZ-CE1 3.78Å; F730-F788 HydrophobicContact CZ-CE1 3.78Å; F730-W799 HydrophobicContact CB-CH2 3.56Å; F730-W799 HydrophobicContact CB-CZ2 3.82Å; F730-W799 HydrophobicContact CB-CZ3 4.44Å
731	V	87.6	Confident	79.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	134	-175.9	-170.8	0	0	0	0	110.7	A704 C711 P733 Y741 Y743	A704-V731 HydrophobicContact CB-CB 4.47Å; A704-V731 HydrophobicContact CB-CG1 3.81Å; A704-V731 WeakPolarHBondContact O-CG1 3.5Å; C711-V731 HydrophobicContact CB-CB 4.41Å; C711-V731 HydrophobicContact CB-CG1 4.18Å; C711-V731 HydrophobicContact CB-CG2 4.05Å; V731-P733 HydrophobicContact CG1-CG 4.45Å; V731-Y741 PolarHBondContact N-O 3.14Å; V731-Y741 PolarHBondContact O-N 3.22Å; V731-Y743 HydrophobicContact CB-CE2 4.17Å; V731-Y743 HydrophobicContact CG2-CD2 4.01Å; V731-Y743 HydrophobicContact CG2-CE2 3.79Å
732	I	84.6	Confident	80.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	103.5	164.4	-62.6	173.2	0	0	0	107.1	S708 V709 I710 P737 L740 L757 W799 V802 L803	S708-I732 CarbonylContact C-O 3.53Å; S708-I732 WeakPolarHBondContact CA-O 3.32Å; S708-I732 WeakPolarHBondContact CB-O 3.45Å; V709-I732 HydrophobicContact CB-CG2 4.27Å; V709-I732 HydrophobicContact CG2-CG2 4.2Å; V709-I732 PolarHBondContact N-O 2.84Å; I710-I732 HydrophobicContact CG2-CB 4.26Å; I710-I732 HydrophobicContact CG2-CD1 4Å; I710-I732 HydrophobicContact CG2-CG1 4.33Å; I710-I732 PolarHBondContact O-N 2.95Å; I732-P737 VanDerWaalsContact CG2-O 3.27Å; I732-P737 WeakPolarHBondContact CG2-O 3.4Å; I732-L740 HydrophobicContact CD1-CD1 4.23Å; I732-L740 HydrophobicContact CG1-CB 4.36Å; I732-L740 HydrophobicContact CG1-CD1 3.72Å; I732-L757 HydrophobicContact CD1-CD1 3.7Å; I732-L757 HydrophobicContact CG1-CD1 4.17Å; I732-W799 HydrophobicContact CD1-CE3 4.45Å; I732-W799 HydrophobicContact CD1-CZ3 3.83Å; I732-W799 HydrophobicContact CG1-CZ3 4.12Å; I732-V802 HydrophobicContact CD1-CG1 3.8Å; I732-L803 HydrophobicContact CD1-CD2 3.81Å; I732-L803 HydrophobicContact CD1-CG 4.36Å
733	P	81.1	Confident	81.7	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.019	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	147.1	179.7	-20.9	33.8	0	0	0	112.3	A704 V731 N735 E736 P737 Y741	A704-P733 HydrophobicContact CB-CG 4.4Å; V731-P733 HydrophobicContact CG1-CG 4.45Å; P733-N735 VanDerWaalsContact CB-OD1 3.24Å; P733-N735 WeakPolarHBondContact CB-OD1 3.41Å; P733-N735 PolarHBondContact O-N 2.76Å; P733-E736 CarbonylContact O-C 3.5Å; P733-E736 PolarHBondContact O-N 3.43Å; P733-P737 WeakPolarHBondContact O-CA 3.21Å; P733-Y741 HydrophobicContact CG-CD2 3.94Å; P733-Y741 HydrophobicContact CG-CE2 4.2Å
734	E	77.1	Confident	82.2	Confident	118 Å²	118	36.3 Å²	36.3	55%	0.551	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-28.9	174.6	-68.5	-179.7	147.7	0	0	113	N707 V709	N707-E734 PolarHBondContact O-N 3.29Å; V709-E734 HydrophobicContact CG2-CB 4.5Å; V709-E734 HydrophobicContact CG2-CG 4.09Å
735	N	71.8	Confident	81.9	Confident	129 Å²	129	35.2 Å²	35.2	69%	0.69	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-8.7	179.2	67.8	-8.3	0	0	0	114.3	P733	P733-N735 VanDerWaalsContact CB-OD1 3.24Å; P733-N735 WeakPolarHBondContact CB-OD1 3.41Å; P733-N735 PolarHBondContact O-N 2.76Å
736	E	76.9	Confident	81	Confident	70 Å²	70	34.3 Å²	34.3	33%	0.327	18%	0.181	S	C	.	.	S	Bend	trans	-143.8	64.2	172.9	-74.8	177.8	-156.3	0	0	109.7	K699 P733 L738 V739 Y741	K699-E736 IonicContact NZ-OE1 3.86Å; K699-E736 PolarHBondContact NZ-OE1 3.41Å; K699-E736 IonicContact NZ-OE2 2.71Å; K699-E736 PolarHBondContact NZ-OE2 3.4Å; P733-E736 CarbonylContact O-C 3.5Å; P733-E736 PolarHBondContact O-N 3.43Å; E736-L738 PolarHBondContact O-N 2.86Å; E736-V739 HydrophobicContact CB-CB 4.45Å; E736-V739 HydrophobicContact CB-CG2 4.41Å; E736-V739 PolarHBondContact O-N 3.1Å; E736-Y741 PolarHBondContact OE2-OH 3.07Å
737	P	79.8	Confident	80	Confident	8 Å²	8	35.5 Å²	35.5	5%	0.052	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-12.2	-170.5	29.1	-35.7	0	0	0	113.2	V709 I732 P733 A806 E811 P812	V709-P737 HydrophobicContact CG2-CB 4.08Å; I732-P737 VanDerWaalsContact CG2-O 3.27Å; I732-P737 WeakPolarHBondContact CG2-O 3.4Å; P733-P737 WeakPolarHBondContact O-CA 3.21Å; P737-A806 WeakPolarHBondContact O-CB 3.38Å; P737-E811 WeakPolarHBondContact CG-OE1 3.44Å; P737-P812 HydrophobicContact CB-CG 3.57Å; P737-P812 VanDerWaalsContact CG-CD 3.45Å; P737-P812 HydrophobicContact CG-CG 4.05Å
738	L	81.6	Confident	79.1	Confident	35 Å²	35	32.3 Å²	32.3	18%	0.183	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	9.8	177.9	-51.1	-178.5	0	0	0	113	E736 L757 I758 A806	E736-L738 PolarHBondContact O-N 2.86Å; L738-L757 PolarHBondContact O-N 3.34Å; L738-I758 HydrophobicContact CB-CD1 4.31Å; L738-I758 HydrophobicContact CB-CG1 3.96Å; L738-I758 HydrophobicContact CD1-CD1 3.77Å; L738-I758 HydrophobicContact CD1-CG1 3.96Å; L738-I758 HydrophobicContact CG-CG1 4.38Å; L738-A806 HydrophobicContact CD2-CB 4.21Å
739	V	84	Confident	77.6	Confident	31 Å²	31	35.6 Å²	35.6	19%	0.188	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	119.8	-179.2	-172.3	0	0	0	0	112.1	E736 Y741	E736-V739 HydrophobicContact CB-CB 4.45Å; E736-V739 HydrophobicContact CB-CG2 4.41Å; E736-V739 PolarHBondContact O-N 3.1Å; V739-Y741 HydrophobicContact CB-CD2 4.42Å; V739-Y741 HydrophobicContact CB-CE2 3.96Å; V739-Y741 HydrophobicContact CG1-CD2 3.92Å; V739-Y741 HydrophobicContact CG1-CE2 3.52Å
740	L	85.1	Confident	76.9	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	117.1	172.2	177.8	66.6	0	0	0	110.6	F730 I732 S754 V755 L757 F788 W799 L803	F730-L740 HydrophobicContact CB-CD1 4.18Å; F730-L740 HydrophobicContact CD1-CD1 4.07Å; F730-L740 HydrophobicContact CD1-CD2 4.15Å; F730-L740 HydrophobicContact CD1-CG 4.22Å; I732-L740 HydrophobicContact CD1-CD1 4.23Å; I732-L740 HydrophobicContact CG1-CB 4.36Å; I732-L740 HydrophobicContact CG1-CD1 3.72Å; L740-S754 CarbonylContact O-C 3.48Å; L740-S754 WeakPolarHBondContact O-CA 3.3Å; L740-V755 HydrophobicContact CB-CB 4.35Å; L740-V755 PolarHBondContact N-O 2.95Å; L740-V755 PolarHBondContact O-N 2.89Å; L740-L757 HydrophobicContact CB-CD1 4.08Å; L740-L757 HydrophobicContact CB-CD2 3.83Å; L740-L757 HydrophobicContact CB-CG 4.05Å; L740-L757 HydrophobicContact CD2-CD2 4.46Å; L740-F788 HydrophobicContact CD2-CZ 4.07Å; L740-W799 HydrophobicContact CD1-CH2 4.07Å; L740-W799 HydrophobicContact CD1-CZ3 3.77Å; L740-L803 HydrophobicContact CD2-CD2 4.43Å
741	Y	85.4	Confident	76.1	Confident	5 Å²	5	38 Å²	38	2%	0.02	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	142	174	-74.8	-88.7	0	0	0	111.6	K699 F730 V731 P733 E736 V739 A751	K699-Y741 HydrophobicContact CD-CE1 4.1Å; K699-Y741 HydrophobicContact CD-CE2 4.17Å; K699-Y741 WeakPolarHBondContact CE-OH 3.18Å; K699-Y741 PolarHBondContact NZ-OH 3.48Å; K699-Y741 VanDerWaalsContact NZ-OH 3.13Å; F730-Y741 WeakPolarHBondContact CA-O 3.22Å; V731-Y741 PolarHBondContact N-O 3.14Å; V731-Y741 PolarHBondContact O-N 3.22Å; P733-Y741 HydrophobicContact CG-CD2 3.94Å; P733-Y741 HydrophobicContact CG-CE2 4.2Å; E736-Y741 PolarHBondContact OE2-OH 3.07Å; V739-Y741 HydrophobicContact CB-CD2 4.42Å; V739-Y741 HydrophobicContact CB-CE2 3.96Å; V739-Y741 HydrophobicContact CG1-CD2 3.92Å; V739-Y741 HydrophobicContact CG1-CE2 3.52Å; Y741-A751 HydrophobicContact CD1-CB 3.68Å; Y741-A751 HydrophobicContact CE1-CB 4.44Å
742	V	84.9	Confident	75.5	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.8	-176.7	-168.4	0	0	0	0	110.6	A728 F730 A751 Q752 R753	A728-V742 HydrophobicContact CB-CG1 3.9Å; F730-V742 HydrophobicContact CD1-CB 4.31Å; F730-V742 HydrophobicContact CD1-CG1 4.08Å; F730-V742 HydrophobicContact CD1-CG2 3.7Å; F730-V742 HydrophobicContact CE1-CB 4.04Å; F730-V742 HydrophobicContact CE1-CG1 3.51Å; F730-V742 HydrophobicContact CE1-CG2 3.43Å; F730-V742 VanDerWaalsContact CE1-CG2 3.43Å; F730-V742 HydrophobicContact CE2-CG1 4.42Å; F730-V742 HydrophobicContact CZ-CG1 3.69Å; F730-V742 HydrophobicContact CZ-CG2 4.42Å; V742-A751 CarbonylContact O-C 3.58Å; V742-Q752 PolarHBondContact O-N 2.65Å; V742-R753 HydrophobicContact CB-CG 3.62Å; V742-R753 HydrophobicContact CG1-CG 4.33Å; V742-R753 HydrophobicContact CG2-CG 3.65Å; V742-R753 PolarHBondContact N-O 2.92Å
743	Y	82.1	Confident	75.1	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	156.8	-175.5	-56.9	-89.7	0	0	0	111	K699 A701 A728 W729 V731 D748 K750 A751	K699-Y743 WeakPolarHBondContact O-CE1 3.43Å; A701-Y743 HydrophobicContact CB-CD1 3.55Å; A701-Y743 HydrophobicContact CB-CD2 3.9Å; A701-Y743 HydrophobicContact CB-CE1 3.82Å; A701-Y743 HydrophobicContact CB-CE2 4.14Å; A701-Y743 HydrophobicContact CB-CG 3.58Å; A728-Y743 WeakPolarHBondContact CB-O 3.49Å; W729-Y743 AromaticContact CD1-CD2 3.93Å; W729-Y743 PolarHBondContact N-O 3.46Å; W729-Y743 PolarHBondContact O-N 2.95Å; V731-Y743 HydrophobicContact CB-CE2 4.17Å; V731-Y743 HydrophobicContact CG2-CD2 4.01Å; V731-Y743 HydrophobicContact CG2-CE2 3.79Å; Y743-D748 HydrophobicContact CD1-CB 4.1Å; Y743-K750 WeakPolarHBondContact CD1-O 3.33Å; Y743-A751 HydrophobicContact CD1-CB 4.12Å; Y743-A751 VanDerWaalsContact CE1-CA 3.48Å; Y743-A751 HydrophobicContact CE1-CB 3.67Å
744	G	76.8	Confident	75.1	Confident	33 Å²	33	49.4 Å²	49.4	34%	0.34	26%	0.262	S	S	.	.	S	Bend	trans	-77.2	-37.9	172.7	0	0	0	0	0	112	D748	G744-D748 WeakPolarHBondContact CA-OD2 3.29Å; G744-D748 PolarHBondContact N-OD2 3.05Å
745	A	70.9	Confident	75.2	Confident	26 Å²	26	44.1 Å²	44.1	22%	0.215	24%	0.238	C	C	.	.	S	Bend	trans	-140.4	152.6	176.8	0	0	0	0	0	111.5	A701 Q747 D748	A701-A745 WeakPolarHBondContact CB-O 3.26Å; A745-Q747 PolarHBondContact O-N 2.87Å; A745-D748 PolarHBondContact N-OD2 3.33Å; A745-D748 WeakPolarHBondContact O-CB 3.38Å; A745-D748 PolarHBondContact O-N 3.42Å
746	P	63.7	Low	75.7	Confident	27 Å²	27	41.9 Å²	41.9	18%	0.175	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-3.4	174.9	23.5	-31.2	0	0	0	114.7	A701 S702 F713 W729	A701-P746 CarbonylContact C-O 3.57Å; A701-P746 WeakPolarHBondContact CB-O 3.49Å; S702-P746 PolarHBondContact N-O 3.48Å; F713-P746 HydrophobicContact CE2-CG 4.48Å; F713-P746 HydrophobicContact CZ-CG 4Å; W729-P746 HydrophobicContact CD2-CB 3.76Å; W729-P746 HydrophobicContact CD2-CG 4.35Å; W729-P746 HydrophobicContact CE3-CB 4.21Å; W729-P746 HydrophobicContact CE3-CG 4.39Å; W729-P746 HydrophobicContact CG-CB 4.01Å; W729-P746 HydrophobicContact CZ2-CB 4.24Å
747	Q	61.3	Low	76	Confident	116 Å²	116	38.6 Å²	38.6	54%	0.542	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	0.5	173.3	-56.2	82.6	4.8	0	0	113.6	A745 V749	A745-Q747 PolarHBondContact O-N 2.87Å; Q747-V749 PolarHBondContact O-N 2.87Å
748	D	65.9	Low	76.1	Confident	34 Å²	34	43 Å²	43	18%	0.182	24%	0.236	C	C	.	.			trans	-66	129.8	179.7	-76.8	-24.6	0	0	0	111	Q700 A701 Y743 G744 A745 K750	Q700-D748 WeakPolarHBondContact CA-O 3.35Å; A701-D748 WeakPolarHBondContact CB-O 3.33Å; A701-D748 PolarHBondContact N-O 3.06Å; Y743-D748 HydrophobicContact CD1-CB 4.1Å; G744-D748 WeakPolarHBondContact CA-OD2 3.29Å; G744-D748 PolarHBondContact N-OD2 3.05Å; A745-D748 PolarHBondContact N-OD2 3.33Å; A745-D748 WeakPolarHBondContact O-CB 3.38Å; A745-D748 PolarHBondContact O-N 3.42Å; D748-K750 PolarHBondContact O-N 2.81Å
749	V	56.1	Low	75.9	Confident	72 Å²	72	43.4 Å²	43.4	44%	0.436	25%	0.249	S	C	.	.	S	Bend	trans	-79.4	5.4	176.9	-60.1	0	0	0	0	113.8	K699 Q700 Q747	K699-V749 CarbonylContact O-C 3.49Å; Q700-V749 HydrophobicContact CG-CG1 4.32Å; Q747-V749 PolarHBondContact O-N 2.87Å
750	K	69.9	Low	75.9	Confident	84 Å²	84	42.4 Å²	42.4	37%	0.365	24%	0.242	S	C	.	.	S	Bend	trans	-155.1	137.6	-178.1	-168.9	168.5	-174.4	158.7	0	111.3	L697 E698 K699 Y743 D748	L697-K750 HydrophobicContact CB-CG 4.37Å; L697-K750 VanDerWaalsContact O-CG 3.31Å; L697-K750 WeakPolarHBondContact O-CG 3.44Å; E698-K750 HydrophobicContact CG-CD 3.95Å; E698-K750 HydrophobicContact CG-CG 4.27Å; E698-K750 IonicContact OE1-NZ 3.49Å; E698-K750 PolarHBondContact OE1-NZ 2.87Å; K699-K750 WeakPolarHBondContact O-CA 3.42Å; K699-K750 PolarHBondContact O-N 2.83Å; Y743-K750 WeakPolarHBondContact CD1-O 3.33Å; D748-K750 PolarHBondContact O-N 2.81Å
751	A	71.3	Confident	76	Confident	5 Å²	5	49.2 Å²	49.2	4%	0.041	27%	0.274	C	S	.	.			trans	-72.3	140.4	173.7	0	0	0	0	0	111.8	L697 Y741 V742 Y743	L697-A751 HydrophobicContact CD2-CB 4.28Å; L697-A751 PolarHBondContact O-N 2.89Å; Y741-A751 HydrophobicContact CD1-CB 3.68Å; Y741-A751 HydrophobicContact CE1-CB 4.44Å; V742-A751 CarbonylContact O-C 3.58Å; Y743-A751 HydrophobicContact CD1-CB 4.12Å; Y743-A751 VanDerWaalsContact CE1-CA 3.48Å; Y743-A751 HydrophobicContact CE1-CB 3.67Å
752	Q	75.9	Confident	76.3	Confident	129 Å²	129	50.4 Å²	50.4	60%	0.603	28%	0.282	S	S	*	.	S	Bend	trans	-71.4	-36.7	172.7	-60.9	-172	-1.4	0	0	111.5	V742	V742-Q752 PolarHBondContact O-N 2.65Å
753	R	76	Confident	76.3	Confident	68 Å²	68	51.8 Å²	51.8	26%	0.257	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	152.2	174.2	56.6	-173.6	-81.8	174.6	1.4	109.5	E718 V742	E718-R753 IonicContact OE2-CZ 2.74Å; E718-R753 IonicContact OE2-NH1 3.34Å; E718-R753 PolarHBondContact OE2-NH1 3.2Å; E718-R753 IonicContact OE2-NH2 2.95Å; E718-R753 PolarHBondContact OE2-NH2 2.7Å; V742-R753 HydrophobicContact CB-CG 3.62Å; V742-R753 HydrophobicContact CG1-CG 4.33Å; V742-R753 HydrophobicContact CG2-CG 3.65Å; V742-R753 PolarHBondContact N-O 2.92Å
754	S	79.8	Confident	76.4	Confident	44 Å²	44	56 Å²	56	31%	0.308	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	154.3	160.1	53.8	0	0	0	0	109.3	L697 L740	L697-S754 WeakPolarHBondContact CD2-OG 3.27Å; L740-S754 CarbonylContact O-C 3.48Å; L740-S754 WeakPolarHBondContact O-CA 3.3Å
755	V	80.9	Confident	76.6	Confident	8 Å²	8	56.3 Å²	56.3	5%	0.048	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	113.8	177.4	-176.6	0	0	0	0	107.5	L740 L757 F760 L786	L740-V755 HydrophobicContact CB-CB 4.35Å; L740-V755 PolarHBondContact N-O 2.95Å; L740-V755 PolarHBondContact O-N 2.89Å; V755-L757 PolarHBondContact O-N 3.21Å; V755-F760 HydrophobicContact CG1-CE2 4.08Å; V755-F760 HydrophobicContact CG1-CZ 3.93Å; V755-L786 HydrophobicContact CG1-CD1 4.45Å
756	P	81.4	Confident	76.8	Confident	82 Å²	82	60.6 Å²	60.6	53%	0.532	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	132.6	170.7	29.4	-33	0	0	0	108.8	F760	P756-F760 WeakPolarHBondContact O-CD2 3.16Å; P756-F760 WeakPolarHBondContact O-CE2 3.47Å
757	L	83.3	Confident	76.5	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.005	37%	0.367	C	S	.	.			trans	-92.7	-19.1	-171.4	-67.1	173.6	0	0	0	113.7	I732 L738 L740 V755 G759 F760 I779 L803 A806 G807	I732-L757 HydrophobicContact CD1-CD1 3.7Å; I732-L757 HydrophobicContact CG1-CD1 4.17Å; L738-L757 PolarHBondContact O-N 3.34Å; L740-L757 HydrophobicContact CB-CD1 4.08Å; L740-L757 HydrophobicContact CB-CD2 3.83Å; L740-L757 HydrophobicContact CB-CG 4.05Å; L740-L757 HydrophobicContact CD2-CD2 4.46Å; V755-L757 PolarHBondContact O-N 3.21Å; L757-G759 PolarHBondContact O-N 2.97Å; L757-F760 WeakPolarHBondContact O-CB 3.43Å; L757-F760 WeakPolarHBondContact O-CD2 3.39Å; L757-F760 PolarHBondContact O-N 3.08Å; L757-I779 HydrophobicContact CD2-CD1 4.22Å; L757-L803 HydrophobicContact CD1-CD2 3.87Å; L757-L803 HydrophobicContact CD2-CD2 3.59Å; L757-L803 HydrophobicContact CG-CD2 4.39Å; L757-A806 HydrophobicContact CB-CB 3.82Å; L757-A806 HydrophobicContact CD1-CB 3.57Å; L757-A806 HydrophobicContact CG-CB 4.36Å; L757-G807 WeakPolarHBondContact O-CA 3.46Å
758	I	81.1	Confident	76.2	Confident	99 Å²	99	65.1 Å²	65.1	51%	0.508	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	122.8	-177.3	-51.3	177	0	0	0	110.1	L738 Q781	L738-I758 HydrophobicContact CB-CD1 4.31Å; L738-I758 HydrophobicContact CB-CG1 3.96Å; L738-I758 HydrophobicContact CD1-CD1 3.77Å; L738-I758 HydrophobicContact CD1-CG1 3.96Å; L738-I758 HydrophobicContact CG-CG1 4.38Å; I758-Q781 PolarHBondContact O-NE2 3.14Å
759	G	78.1	Confident	76	Confident	44 Å²	44	65.1 Å²	65.1	45%	0.454	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	18.8	-179.5	0	0	0	0	0	115.2	L757 Q781 G807	L757-G759 PolarHBondContact O-N 2.97Å; G759-Q781 PolarHBondContact O-NE2 3.39Å; G759-G807 WeakPolarHBondContact CA-O 3.42Å; G759-G807 PolarHBondContact N-O 3.18Å
760	F	84.3	Confident	76	Confident	10 Å²	10	72.8 Å²	72.8	4%	0.044	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-88.3	131.7	164.4	-84.9	-99.9	0	0	0	111	V755 P756 L757 I779 Q781 L784 G807	V755-F760 HydrophobicContact CG1-CE2 4.08Å; V755-F760 HydrophobicContact CG1-CZ 3.93Å; P756-F760 WeakPolarHBondContact O-CD2 3.16Å; P756-F760 WeakPolarHBondContact O-CE2 3.47Å; L757-F760 WeakPolarHBondContact O-CB 3.43Å; L757-F760 WeakPolarHBondContact O-CD2 3.39Å; L757-F760 PolarHBondContact O-N 3.08Å; F760-I779 HydrophobicContact CB-CB 4.45Å; F760-I779 HydrophobicContact CD1-CB 3.87Å; F760-I779 HydrophobicContact CD1-CD1 3.71Å; F760-I779 HydrophobicContact CD1-CG1 3.56Å; F760-I779 HydrophobicContact CE1-CD1 4.02Å; F760-I779 HydrophobicContact CE1-CG1 3.92Å; F760-I779 HydrophobicContact CG-CD1 4.26Å; F760-I779 HydrophobicContact CG-CG1 4.46Å; F760-Q781 HydrophobicContact CD1-CB 3.69Å; F760-Q781 HydrophobicContact CD2-CB 3.83Å; F760-Q781 HydrophobicContact CD2-CG 4.44Å; F760-Q781 HydrophobicContact CE1-CB 3.7Å; F760-Q781 HydrophobicContact CE2-CB 3.82Å; F760-Q781 HydrophobicContact CE2-CG 4.35Å; F760-Q781 HydrophobicContact CG-CB 3.79Å; F760-Q781 HydrophobicContact CZ-CB 3.78Å; F760-L784 HydrophobicContact CE1-CD2 4.36Å; F760-L784 HydrophobicContact CE1-CG 4.41Å; F760-L784 HydrophobicContact CZ-CD2 3.91Å; F760-L784 HydrophobicContact CZ-CG 4.42Å; F760-G807 WeakPolarHBondContact O-CA 3.19Å
761	E	86.4	Confident	75.8	Confident	146 Å²	146	71 Å²	71	68%	0.682	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	130.8	169.9	-65.7	179.8	171.1	0	0	109.9	I779 S780	E761-I779 CarbonylContact O-C 3.54Å; E761-I779 VanDerWaalsContact O-CA 3.3Å; E761-I779 WeakPolarHBondContact O-CA 3.41Å; E761-S780 PolarHBondContact N-O 3.46Å; E761-S780 PolarHBondContact O-N 2.85Å; E761-S780 PolarHBondContact O-OG 2.91Å
762	V	91.3	Very high	75.3	Confident	30 Å²	30	79.6 Å²	79.6	18%	0.182	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131.5	176.5	-172.3	0	0	0	0	109.5	I779 M800 L803 S804	V762-I779 HydrophobicContact CB-CG2 4.39Å; V762-I779 HydrophobicContact CG1-CG2 4.24Å; V762-I779 HydrophobicContact CG2-CG2 3.86Å; V762-M800 HydrophobicContact CG1-CB 4.08Å; V762-M800 HydrophobicContact CG1-CE 4.11Å; V762-M800 HydrophobicContact CG1-CG 3.94Å; V762-L803 HydrophobicContact CG2-CB 3.7Å; V762-S804 WeakPolarHBondContact CB-OG 3.24Å; V762-S804 WeakPolarHBondContact CG2-OG 3.36Å
763	S	86.3	Confident	75.1	Confident	30 Å²	30	77.6 Å²	77.6	21%	0.21	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	157.9	-179.3	48.1	0	0	0	0	112.5	K778	S763-K778 PolarHBondContact N-O 3.03Å; S763-K778 PolarHBondContact O-N 3.25Å; S763-K778 WeakPolarHBondContact OG-CE 3.43Å; S763-K778 VanDerWaalsContact OG-CG 3.31Å; S763-K778 WeakPolarHBondContact OG-CG 3.43Å
764	P	84.3	Confident	75.2	Confident	87 Å²	87	84.4 Å²	84.4	57%	0.565	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-64.7	158.9	164	29.5	-35.1	0	0	0	110.7	K778	P764-K778 WeakPolarHBondContact O-CE 3.38Å
765	P	80.3	Confident	75.4	Confident	40 Å²	40	85.4 Å²	85.4	26%	0.26	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-65.1	146.2	174.3	-14.8	30.5	0	0	0	110.7	L771 A776	P765-L771 HydrophobicContact CB-CD1 4.12Å; P765-L771 HydrophobicContact CB-CD2 4.13Å; P765-L771 HydrophobicContact CG-CD2 3.93Å; P765-A776 WeakPolarHBondContact CD-O 3.4Å; P765-A776 HydrophobicContact CG-CB 4.02Å; P765-A776 WeakPolarHBondContact CG-O 3.49Å
766	E	74.8	Confident	75.8	Confident	116 Å²	116	85.5 Å²	85.5	54%	0.542	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-78.8	154	176.2	-77.2	159.8	-132.3	0	0	110.9	C768 D769 K778	E766-C768 PolarHBondContact O-N 2.73Å; E766-D769 PolarHBondContact N-OD2 2.84Å; E766-D769 WeakPolarHBondContact O-CB 3.11Å; E766-D769 PolarHBondContact O-N 3.34Å; E766-K778 VanDerWaalsContact CD-NZ 3.3Å; E766-K778 IonicContact OE1-NZ 3.25Å; E766-K778 PolarHBondContact OE1-NZ 3.21Å
767	S	58.5	Low	76.3	Confident	134 Å²	134	81.6 Å²	81.6	94%	0.937	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.6	176.8	54.7	0	0	0	0	113.8
768	C	53.8	Low	76.6	Confident	104 Å²	104	82 Å²	82	70%	0.703	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-26.4	173.5	-165.4	0	0	0	0	113.6	E766 R770	E766-C768 PolarHBondContact O-N 2.73Å; C768-R770 PolarHBondContact O-N 3.43Å; C768-R770 VanDerWaalsContact O-N 3.13Å
769	D	62.1	Low	77.1	Confident	34 Å²	34	77.3 Å²	77.3	18%	0.182	40%	0.395	C	S	.	.	S	Bend	trans	-70	-13.4	-167.5	-72.9	-48.3	0	0	0	113.9	K719 E766 L771 K778 Y787	K719-D769 IonicContact NZ-OD1 3.18Å; K719-D769 PolarHBondContact NZ-OD1 3.22Å; E766-D769 PolarHBondContact N-OD2 2.84Å; E766-D769 WeakPolarHBondContact O-CB 3.11Å; E766-D769 PolarHBondContact O-N 3.34Å; D769-L771 HydrophobicContact CB-CD1 3.42Å; D769-L771 VanDerWaalsContact CB-CD1 3.42Å; D769-L771 PolarHBondContact O-N 3.11Å; D769-K778 IonicContact OD2-NZ 2.62Å; D769-K778 PolarHBondContact OD2-NZ 3.18Å; D769-Y787 HydrophobicContact CB-CE1 4.1Å; D769-Y787 PolarHBondContact OD1-OH 3.08Å
770	R	56.7	Low	77.5	Confident	233 Å²	233	76.4 Å²	76.4	88%	0.879	38%	0.382	S	S	*	.			trans	52.9	42.7	176.4	-80.2	-173.3	155.5	-152.9	-4.8	115.5	C768 E772	C768-R770 PolarHBondContact O-N 3.43Å; C768-R770 VanDerWaalsContact O-N 3.13Å; R770-E772 PolarHBondContact O-N 3.17Å
771	L	64.7	Low	77.4	Confident	46 Å²	46	79.2 Å²	79.2	24%	0.241	40%	0.396	C	S	.	.			trans	-73.2	123.1	176.1	-83.2	74.1	0	0	0	112.6	W725 P765 D769 R773 A776 Y787	W725-L771 HydrophobicContact CH2-CD2 3.86Å; W725-L771 HydrophobicContact CZ2-CD2 3.61Å; W725-L771 HydrophobicContact CZ2-CG 3.92Å; P765-L771 HydrophobicContact CB-CD1 4.12Å; P765-L771 HydrophobicContact CB-CD2 4.13Å; P765-L771 HydrophobicContact CG-CD2 3.93Å; D769-L771 HydrophobicContact CB-CD1 3.42Å; D769-L771 VanDerWaalsContact CB-CD1 3.42Å; D769-L771 PolarHBondContact O-N 3.11Å; L771-R773 VanDerWaalsContact C-N 3.31Å; L771-R773 PolarHBondContact O-N 3.41Å; L771-A776 HydrophobicContact CD2-CB 3.55Å; L771-Y787 HydrophobicContact CD1-CD1 3.95Å; L771-Y787 HydrophobicContact CD1-CE1 3.96Å; L771-Y787 HydrophobicContact CD2-CD1 3.98Å
772	E	62	Low	77.2	Confident	187 Å²	187	77.5 Å²	77.5	87%	0.874	40%	0.4	S	S	*	.			trans	-80.3	-6.7	175.1	-60	179	146.5	0	0	114	R770	R770-E772 PolarHBondContact O-N 3.17Å
773	R	70.9	Confident	76.5	Confident	87 Å²	87	85 Å²	85	33%	0.328	43%	0.433	S	S	.	.	S	Bend	trans	-100	137.8	-176.4	-82	-178.9	167.8	65.6	2.4	112.2	W725 L771	W725-R773 VanDerWaalsContact CD1-NH1 3.29Å; W725-R773 VanDerWaalsContact CG-NH1 3.32Å; L771-R773 VanDerWaalsContact C-N 3.31Å; L771-R773 PolarHBondContact O-N 3.41Å
774	R	77.9	Confident	76.2	Confident	211 Å²	211	86.4 Å²	86.4	80%	0.796	44%	0.437	S	S	*	.	S	Bend	trans	-71.8	164.9	168.8	-59.2	-173.7	-175.3	-142.5	0.2	110.8	A776 S789	R774-A776 PolarHBondContact O-N 3.02Å; R774-S789 PolarHBondContact O-OG 2.9Å
775	H	85.4	Confident	76.3	Confident	64 Å²	64	83.2 Å²	83.2	30%	0.296	42%	0.416	S	S	.	.	S	Bend	trans	50.5	40.4	177.1	-46.4	-61	0	0	0	113.9	S789 A790 E793 Q796	H775-S789 WeakPolarHBondContact O-CA 3.5Å; H775-A790 PolarHBondContact O-N 3.11Å; H775-E793 PolarHBondContact ND1-N 2.84Å; H775-Q796 HydrophobicContact CB-CB 4.22Å
776	A	88.1	Confident	76.6	Confident	10 Å²	10	81.4 Å²	81.4	8%	0.083	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	147.2	-176.2	0	0	0	0	0	112.2	P765 L771 R774 F788 Q796	P765-A776 WeakPolarHBondContact CD-O 3.4Å; P765-A776 HydrophobicContact CG-CB 4.02Å; P765-A776 WeakPolarHBondContact CG-O 3.49Å; L771-A776 HydrophobicContact CD2-CB 3.55Å; R774-A776 PolarHBondContact O-N 3.02Å; A776-F788 CarbonylContact C-O 3.57Å; A776-F788 WeakPolarHBondContact CA-O 3.27Å; A776-F788 WeakPolarHBondContact CB-O 3.48Å; A776-Q796 PolarHBondContact O-NE2 3.26Å
777	F	91.7	Very high	77.3	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	167.5	178.9	60.4	-83.3	0	0	0	109.4	L714 F788 Q796 W799 M800 L803	L714-F777 HydrophobicContact CD1-CZ 4.17Å; F777-F788 HydrophobicContact CD1-CB 4.07Å; F777-F788 HydrophobicContact CD2-CB 4.03Å; F777-F788 HydrophobicContact CD2-CD2 4.16Å; F777-F788 HydrophobicContact CE1-CB 3.64Å; F777-F788 HydrophobicContact CE2-CB 3.57Å; F777-F788 AromaticContact CE2-CD2 3.63Å; F777-F788 HydrophobicContact CE2-CD2 3.63Å; F777-F788 AromaticContact CE2-CG 3.88Å; F777-F788 HydrophobicContact CE2-CG 3.88Å; F777-F788 HydrophobicContact CG-CB 4.27Å; F777-F788 HydrophobicContact CZ-CB 3.37Å; F777-F788 HydrophobicContact CZ-CD2 4.2Å; F777-F788 AromaticContact CZ-CG 3.97Å; F777-F788 HydrophobicContact CZ-CG 3.97Å; F777-F788 PolarHBondContact N-O 3.46Å; F777-F788 PolarHBondContact O-N 3.49Å; F777-Q796 HydrophobicContact CD1-CG 3.94Å; F777-W799 HydrophobicContact CE1-CB 4.22Å; F777-W799 HydrophobicContact CE2-CB 4.32Å; F777-W799 HydrophobicContact CZ-CB 3.66Å; F777-W799 HydrophobicContact CZ-CG 4.26Å; F777-M800 HydrophobicContact CB-CE 4.19Å; F777-M800 HydrophobicContact CB-CG 3.84Å; F777-M800 HydrophobicContact CB-SD 3.58Å; F777-M800 VanDerWaalsContact CB-SD 3.58Å; F777-M800 HydrophobicContact CD1-CG 4.28Å; F777-M800 HydrophobicContact CD2-CG 3.89Å; F777-M800 HydrophobicContact CE2-CG 4.5Å; F777-M800 HydrophobicContact CG-CG 3.76Å; F777-M800 HydrophobicContact CG-SD 4.12Å; F777-L803 HydrophobicContact CE2-CD1 3.63Å; F777-L803 HydrophobicContact CZ-CD1 4.36Å
778	K	90.6	Very high	78.9	Confident	9 Å²	9	70.2 Å²	70.2	4%	0.039	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	153.1	175.4	65.3	-176.9	177.1	-176	0	111.5	S763 P764 E766 D769 T785 L786 Y787	S763-K778 PolarHBondContact N-O 3.03Å; S763-K778 PolarHBondContact O-N 3.25Å; S763-K778 WeakPolarHBondContact OG-CE 3.43Å; S763-K778 VanDerWaalsContact OG-CG 3.31Å; S763-K778 WeakPolarHBondContact OG-CG 3.43Å; P764-K778 WeakPolarHBondContact O-CE 3.38Å; E766-K778 VanDerWaalsContact CD-NZ 3.3Å; E766-K778 IonicContact OE1-NZ 3.25Å; E766-K778 PolarHBondContact OE1-NZ 3.21Å; D769-K778 IonicContact OD2-NZ 2.62Å; D769-K778 PolarHBondContact OD2-NZ 3.18Å; K778-T785 HydrophobicContact CB-CG2 4.36Å; K778-T785 HydrophobicContact CD-CG2 4.22Å; K778-L786 CarbonylContact C-O 3.56Å; K778-L786 VanDerWaalsContact CA-O 3.24Å; K778-L786 WeakPolarHBondContact CA-O 3.18Å; K778-Y787 HydrophobicContact CB-CD1 3.83Å; K778-Y787 HydrophobicContact CB-CE1 4.16Å; K778-Y787 HydrophobicContact CB-CG 4.43Å; K778-Y787 HydrophobicContact CD-CD1 4.45Å; K778-Y787 HydrophobicContact CD-CE1 3.94Å
779	I	90.9	Very high	80.6	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.1	163.2	73.2	178.4	0	0	0	109	L757 F760 E761 V762 T785 L786 F788 L803	L757-I779 HydrophobicContact CD2-CD1 4.22Å; F760-I779 HydrophobicContact CB-CB 4.45Å; F760-I779 HydrophobicContact CD1-CB 3.87Å; F760-I779 HydrophobicContact CD1-CD1 3.71Å; F760-I779 HydrophobicContact CD1-CG1 3.56Å; F760-I779 HydrophobicContact CE1-CD1 4.02Å; F760-I779 HydrophobicContact CE1-CG1 3.92Å; F760-I779 HydrophobicContact CG-CD1 4.26Å; F760-I779 HydrophobicContact CG-CG1 4.46Å; E761-I779 CarbonylContact O-C 3.54Å; E761-I779 VanDerWaalsContact O-CA 3.3Å; E761-I779 WeakPolarHBondContact O-CA 3.41Å; V762-I779 HydrophobicContact CB-CG2 4.39Å; V762-I779 HydrophobicContact CG1-CG2 4.24Å; V762-I779 HydrophobicContact CG2-CG2 3.86Å; I779-T785 WeakPolarHBondContact O-CA 3.4Å; I779-L786 HydrophobicContact CD1-CD1 4.25Å; I779-L786 HydrophobicContact CG1-CB 3.97Å; I779-L786 HydrophobicContact CG1-CD1 4.34Å; I779-L786 PolarHBondContact N-O 3.26Å; I779-L786 PolarHBondContact O-N 3.08Å; I779-F788 HydrophobicContact CD1-CE2 3.91Å; I779-F788 HydrophobicContact CG1-CE2 3.94Å; I779-F788 HydrophobicContact CG2-CE2 4.44Å; I779-L803 HydrophobicContact CG2-CB 4.46Å; I779-L803 HydrophobicContact CG2-CD1 4.07Å
780	S	86.3	Confident	82	Confident	26 Å²	26	64.1 Å²	64.1	18%	0.182	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	135.6	-176.3	39.7	0	0	0	0	111.9	E761 L784	E761-S780 PolarHBondContact N-O 3.46Å; E761-S780 PolarHBondContact O-N 2.85Å; E761-S780 PolarHBondContact O-OG 2.91Å; S780-L784 WeakPolarHBondContact CA-O 3.26Å
781	Q	83.6	Confident	83.3	Confident	69 Å²	69	59 Å²	59	32%	0.322	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	115.2	172	173.7	170.8	86.3	0	0	108.6	I758 G759 F760 H783 L784	I758-Q781 PolarHBondContact O-NE2 3.14Å; G759-Q781 PolarHBondContact O-NE2 3.39Å; F760-Q781 HydrophobicContact CD1-CB 3.69Å; F760-Q781 HydrophobicContact CD2-CB 3.83Å; F760-Q781 HydrophobicContact CD2-CG 4.44Å; F760-Q781 HydrophobicContact CE1-CB 3.7Å; F760-Q781 HydrophobicContact CE2-CB 3.82Å; F760-Q781 HydrophobicContact CE2-CG 4.35Å; F760-Q781 HydrophobicContact CG-CB 3.79Å; F760-Q781 HydrophobicContact CZ-CB 3.78Å; Q781-H783 PolarHBondContact O-N 3.18Å; Q781-L784 PolarHBondContact N-O 2.83Å; Q781-L784 PolarHBondContact O-N 3.29Å
782	S	81.3	Confident	84.3	Confident	110 Å²	110	57.9 Å²	57.9	77%	0.769	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	-111.3	-178.3	179.8	0	0	0	0	111.7
783	H	76.4	Confident	85.4	Confident	188 Å²	188	53.7 Å²	53.7	87%	0.87	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-8.8	179.9	-60.2	-62.8	0	0	0	114.7	Q781	Q781-H783 PolarHBondContact O-N 3.18Å
784	L	80.6	Confident	86	Confident	58 Å²	58	55.2 Å²	55.2	30%	0.304	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	129.4	-179.9	-179.6	54	0	0	0	110.4	E718 F760 S780 Q781 L786	E718-L784 HydrophobicContact CG-CD1 4.06Å; F760-L784 HydrophobicContact CE1-CD2 4.36Å; F760-L784 HydrophobicContact CE1-CG 4.41Å; F760-L784 HydrophobicContact CZ-CD2 3.91Å; F760-L784 HydrophobicContact CZ-CG 4.42Å; S780-L784 WeakPolarHBondContact CA-O 3.26Å; Q781-L784 PolarHBondContact N-O 2.83Å; Q781-L784 PolarHBondContact O-N 3.29Å; L784-L786 HydrophobicContact CD1-CD2 4.19Å; L784-L786 HydrophobicContact CD1-CG 4.18Å; L784-L786 HydrophobicContact CG-CG 4.37Å
785	T	86.3	Confident	86.4	Confident	21 Å²	21	47.4 Å²	47.4	13%	0.129	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	123.7	171.3	-54.4	0	0	0	0	109.8	K719 K778 I779 Y787	K719-T785 HydrophobicContact CB-CG2 4.48Å; K719-T785 HydrophobicContact CD-CG2 4.13Å; K719-T785 PolarHBondContact N-O 3.24Å; K778-T785 HydrophobicContact CB-CG2 4.36Å; K778-T785 HydrophobicContact CD-CG2 4.22Å; I779-T785 WeakPolarHBondContact O-CA 3.4Å; T785-Y787 HydrophobicContact CG2-CD2 4.44Å; T785-Y787 HydrophobicContact CG2-CE2 3.93Å
786	L	86.4	Confident	86.7	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121.8	178.5	-63	168.2	0	0	0	108.6	E718 V755 K778 I779 L784 F788	E718-L786 HydrophobicContact CB-CD2 3.88Å; E718-L786 HydrophobicContact CG-CD2 3.66Å; E718-L786 VanDerWaalsContact OE2-CD2 3.28Å; E718-L786 WeakPolarHBondContact OE2-CD2 3.27Å; V755-L786 HydrophobicContact CG1-CD1 4.45Å; K778-L786 CarbonylContact C-O 3.56Å; K778-L786 VanDerWaalsContact CA-O 3.24Å; K778-L786 WeakPolarHBondContact CA-O 3.18Å; I779-L786 HydrophobicContact CD1-CD1 4.25Å; I779-L786 HydrophobicContact CG1-CB 3.97Å; I779-L786 HydrophobicContact CG1-CD1 4.34Å; I779-L786 PolarHBondContact N-O 3.26Å; I779-L786 PolarHBondContact O-N 3.08Å; L784-L786 HydrophobicContact CD1-CD2 4.19Å; L784-L786 HydrophobicContact CD1-CG 4.18Å; L784-L786 HydrophobicContact CG-CG 4.37Å; L786-F788 HydrophobicContact CB-CE2 3.92Å; L786-F788 HydrophobicContact CB-CZ 4.14Å
787	Y	89	Confident	86.7	Confident	11 Å²	11	52.1 Å²	52.1	4%	0.043	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	139.2	173.5	-60.3	-91.9	0	0	0	109.6	H716 M717 K719 D769 L771 K778 T785	H716-Y787 CarbonylContact C-O 3.41Å; H716-Y787 VanDerWaalsContact CA-O 3.23Å; H716-Y787 WeakPolarHBondContact CA-O 3.45Å; M717-Y787 PolarHBondContact N-O 2.9Å; M717-Y787 PolarHBondContact O-N 3.48Å; K719-Y787 HydrophobicContact CB-CE2 3.93Å; K719-Y787 HydrophobicContact CD-CE2 4.03Å; K719-Y787 WeakPolarHBondContact CD-OH 3.43Å; K719-Y787 WeakPolarHBondContact CE-OH 3.48Å; K719-Y787 HydrophobicContact CG-CE2 4.07Å; K719-Y787 PolarHBondContact NZ-OH 3.45Å; D769-Y787 HydrophobicContact CB-CE1 4.1Å; D769-Y787 PolarHBondContact OD1-OH 3.08Å; L771-Y787 HydrophobicContact CD1-CD1 3.95Å; L771-Y787 HydrophobicContact CD1-CE1 3.96Å; L771-Y787 HydrophobicContact CD2-CD1 3.98Å; K778-Y787 HydrophobicContact CB-CD1 3.83Å; K778-Y787 HydrophobicContact CB-CE1 4.16Å; K778-Y787 HydrophobicContact CB-CG 4.43Å; K778-Y787 HydrophobicContact CD-CD1 4.45Å; K778-Y787 HydrophobicContact CD-CE1 3.94Å; T785-Y787 HydrophobicContact CG2-CD2 4.44Å; T785-Y787 HydrophobicContact CG2-CE2 3.93Å
788	F	91.8	Very high	86.6	Confident	3 Å²	3	58.8 Å²	58.8	1%	0.013	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	157.7	176.9	-64.9	-74.2	0	0	0	110.7	L714 H715 H716 F730 L740 A776 F777 I779 L786	L714-F788 HydrophobicContact CB-CD1 4.41Å; L714-F788 HydrophobicContact CD1-CB 4.41Å; L714-F788 HydrophobicContact CD1-CD1 3.92Å; L714-F788 HydrophobicContact CD1-CG 4.31Å; H715-F788 CarbonylContact O-C 3.51Å; H715-F788 VanDerWaalsContact O-CA 3.28Å; H715-F788 WeakPolarHBondContact O-CA 3.2Å; H716-F788 HydrophobicContact CB-CD1 3.66Å; H716-F788 HydrophobicContact CB-CE1 3.7Å; F730-F788 HydrophobicContact CD1-CE1 4.15Å; F730-F788 HydrophobicContact CE1-CD1 4.5Å; F730-F788 AromaticContact CE1-CE1 3.57Å; F730-F788 HydrophobicContact CE1-CE1 3.57Å; F730-F788 HydrophobicContact CE1-CZ 4.32Å; F730-F788 HydrophobicContact CE2-CE1 4.49Å; F730-F788 HydrophobicContact CZ-CD1 4.38Å; F730-F788 AromaticContact CZ-CE1 3.78Å; F730-F788 HydrophobicContact CZ-CE1 3.78Å; L740-F788 HydrophobicContact CD2-CZ 4.07Å; A776-F788 CarbonylContact C-O 3.57Å; A776-F788 WeakPolarHBondContact CA-O 3.27Å; A776-F788 WeakPolarHBondContact CB-O 3.48Å; F777-F788 HydrophobicContact CD1-CB 4.07Å; F777-F788 HydrophobicContact CD2-CB 4.03Å; F777-F788 HydrophobicContact CD2-CD2 4.16Å; F777-F788 HydrophobicContact CE1-CB 3.64Å; F777-F788 HydrophobicContact CE2-CB 3.57Å; F777-F788 AromaticContact CE2-CD2 3.63Å; F777-F788 HydrophobicContact CE2-CD2 3.63Å; F777-F788 AromaticContact CE2-CG 3.88Å; F777-F788 HydrophobicContact CE2-CG 3.88Å; F777-F788 HydrophobicContact CG-CB 4.27Å; F777-F788 HydrophobicContact CZ-CB 3.37Å; F777-F788 HydrophobicContact CZ-CD2 4.2Å; F777-F788 AromaticContact CZ-CG 3.97Å; F777-F788 HydrophobicContact CZ-CG 3.97Å; F777-F788 PolarHBondContact N-O 3.46Å; F777-F788 PolarHBondContact O-N 3.49Å; I779-F788 HydrophobicContact CD1-CE2 3.91Å; I779-F788 HydrophobicContact CG1-CE2 3.94Å; I779-F788 HydrophobicContact CG2-CE2 4.44Å; L786-F788 HydrophobicContact CB-CE2 3.92Å; L786-F788 HydrophobicContact CB-CZ 4.14Å
789	S	90.4	Very high	86.7	Confident	6 Å²	6	58.4 Å²	58.4	4%	0.042	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	122.3	171.1	164.4	0	0	0	0	109.3	H715 R774 H775	H715-S789 PolarHBondContact N-O 2.9Å; H715-S789 PolarHBondContact O-N 3.44Å; R774-S789 PolarHBondContact O-OG 2.9Å; H775-S789 WeakPolarHBondContact O-CA 3.5Å
790	A	90.1	Very high	86.7	Confident	5 Å²	5	60.4 Å²	60.4	4%	0.041	30%	0.297	C	S	.	.			trans	-87.6	164.4	177.7	0	0	0	0	0	111.4	L714 H775 G792 L795 Q796	L714-A790 HydrophobicContact CD2-CB 3.85Å; H775-A790 PolarHBondContact O-N 3.11Å; A790-G792 VanDerWaalsContact C-N 3.27Å; A790-G792 PolarHBondContact O-N 3.28Å; A790-L795 HydrophobicContact CB-CB 4.23Å; A790-L795 HydrophobicContact CB-CD2 4.24Å; A790-L795 HydrophobicContact CB-CG 4.06Å; A790-Q796 HydrophobicContact CB-CB 4.06Å
791	E	84.9	Confident	86.9	Confident	124 Å²	124	62.8 Å²	62.8	58%	0.579	31%	0.308	S	S	*	.	S	Bend	trans	-80.1	-9.4	179.1	-59	-170.9	159.7	0	0	113	K727	K727-E791 VanDerWaalsContact CE-OE1 3.29Å; K727-E791 WeakPolarHBondContact CE-OE1 3.2Å; K727-E791 IonicContact NZ-OE1 3.48Å; K727-E791 PolarHBondContact NZ-OE1 2.73Å
792	G	85.1	Confident	87.1	Confident	23 Å²	23	60.3 Å²	60.3	24%	0.237	30%	0.297	C	S	.	.	S	Bend	trans	-162.7	166.4	174.7	0	0	0	0	0	112.9	A790 L795 Q796	A790-G792 VanDerWaalsContact C-N 3.27Å; A790-G792 PolarHBondContact O-N 3.28Å; G792-L795 PolarHBondContact O-N 3.45Å; G792-Q796 PolarHBondContact O-N 3.14Å
793	E	85.9	Confident	87.5	Confident	99 Å²	99	55.2 Å²	55.2	46%	0.463	26%	0.261	S	S	.	.	H	α-helix	trans	-68.7	-39.4	-172.7	-162.9	-155.6	105.2	0	0	113.8	H775 L795 Q796 R797	H775-E793 PolarHBondContact ND1-N 2.84Å; E793-L795 VanDerWaalsContact C-N 3.34Å; E793-L795 PolarHBondContact O-N 2.91Å; E793-Q796 WeakPolarHBondContact O-CB 3.23Å; E793-Q796 PolarHBondContact O-N 3.2Å; E793-R797 PolarHBondContact O-N 3.28Å; E793-R797 IonicContact OE1-CZ 3.45Å; E793-R797 IonicContact OE1-NE 2.72Å; E793-R797 PolarHBondContact OE1-NE 3.29Å; E793-R797 IonicContact OE1-NH2 3.33Å; E793-R797 PolarHBondContact OE1-NH2 3.03Å
794	E	84.3	Confident	88.1	Confident	119 Å²	119	47.8 Å²	47.8	56%	0.556	23%	0.23	S	C	*	.	H	α-helix	trans	-62.5	-43.2	176.7	-169.1	-155.6	135	0	0	111.2	Q796 R797 R798	E794-Q796 VanDerWaalsContact C-N 3.34Å; E794-Q796 PolarHBondContact O-N 3.43Å; E794-R797 PolarHBondContact O-N 3.41Å; E794-R798 WeakPolarHBondContact O-CG 3.37Å; E794-R798 PolarHBondContact O-N 3.14Å
795	L	86.3	Confident	88.3	Confident	47 Å²	47	48.2 Å²	48.2	25%	0.246	23%	0.228	C	C	.	.	H	α-helix	trans	-64.3	-38.8	175.6	-177.2	59.8	0	0	0	111.4	A790 G792 E793 W799	A790-L795 HydrophobicContact CB-CB 4.23Å; A790-L795 HydrophobicContact CB-CD2 4.24Å; A790-L795 HydrophobicContact CB-CG 4.06Å; G792-L795 PolarHBondContact O-N 3.45Å; E793-L795 VanDerWaalsContact C-N 3.34Å; E793-L795 PolarHBondContact O-N 2.91Å; L795-W799 VanDerWaalsContact O-CD1 3.27Å; L795-W799 PolarHBondContact O-N 2.78Å
796	Q	91	Very high	88.2	Confident	30 Å²	30	47.4 Å²	47.4	14%	0.14	22%	0.223	C	C	.	.	H	α-helix	trans	-58.3	-50.5	169.6	167	-176.1	17.9	0	0	111.4	H775 A776 F777 A790 G792 E793 E794 R798 W799 M800	H775-Q796 HydrophobicContact CB-CB 4.22Å; A776-Q796 PolarHBondContact O-NE2 3.26Å; F777-Q796 HydrophobicContact CD1-CG 3.94Å; A790-Q796 HydrophobicContact CB-CB 4.06Å; G792-Q796 PolarHBondContact O-N 3.14Å; E793-Q796 WeakPolarHBondContact O-CB 3.23Å; E793-Q796 PolarHBondContact O-N 3.2Å; E794-Q796 VanDerWaalsContact C-N 3.34Å; E794-Q796 PolarHBondContact O-N 3.43Å; Q796-R798 PolarHBondContact O-N 3.46Å; Q796-W799 PolarHBondContact O-N 2.91Å; Q796-M800 HydrophobicContact CG-CG 4.37Å; Q796-M800 HydrophobicContact CG-SD 3.76Å; Q796-M800 WeakPolarHBondContact O-CB 3.38Å; Q796-M800 WeakPolarHBondContact O-CG 3.28Å; Q796-M800 PolarHBondContact O-N 2.7Å
797	R	88.7	Confident	88.1	Confident	144 Å²	144	47.7 Å²	47.7	54%	0.543	23%	0.227	S	C	.	.	H	α-helix	trans	-58.8	-45	180	-77.4	-172.3	-94.9	114.5	-9.6	111.7	E793 E794 M800 D801	E793-R797 PolarHBondContact O-N 3.28Å; E793-R797 IonicContact OE1-CZ 3.45Å; E793-R797 IonicContact OE1-NE 2.72Å; E793-R797 PolarHBondContact OE1-NE 3.29Å; E793-R797 IonicContact OE1-NH2 3.33Å; E793-R797 PolarHBondContact OE1-NH2 3.03Å; E794-R797 PolarHBondContact O-N 3.41Å; R797-M800 PolarHBondContact O-N 2.71Å; R797-D801 PolarHBondContact O-N 3.1Å
798	R	89.8	Confident	87.9	Confident	140 Å²	140	54.3 Å²	54.3	53%	0.528	25%	0.252	S	S	.	.	H	α-helix	trans	-62.6	-44.3	176.6	-71.4	-179.9	63.4	175.9	-0.6	113	I710 E794 Q796 V802	I710-R798 HydrophobicContact CD1-CB 3.97Å; E794-R798 WeakPolarHBondContact O-CG 3.37Å; E794-R798 PolarHBondContact O-N 3.14Å; Q796-R798 PolarHBondContact O-N 3.46Å; R798-V802 WeakPolarHBondContact O-CG2 3.47Å; R798-V802 PolarHBondContact O-N 3.16Å
799	W	91.9	Very high	87	Confident	1 Å²	1	55.8 Å²	55.8	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-64.2	-40.4	174.6	-87.7	106.3	0	0	0	112.5	I710 S712 L714 F730 I732 L740 F777 L795 Q796 L803	I710-W799 HydrophobicContact CD1-CB 4.36Å; I710-W799 HydrophobicContact CD1-CD2 3.7Å; I710-W799 HydrophobicContact CD1-CE3 4.35Å; I710-W799 HydrophobicContact CD1-CG 3.67Å; I710-W799 HydrophobicContact CD1-CZ2 4.47Å; I710-W799 HydrophobicContact CG1-CD2 4.12Å; I710-W799 HydrophobicContact CG1-CH2 4.48Å; I710-W799 HydrophobicContact CG1-CZ2 4.02Å; I710-W799 HydrophobicContact CG2-CD2 4.09Å; I710-W799 HydrophobicContact CG2-CE3 3.69Å; I710-W799 HydrophobicContact CG2-CH2 3.74Å; I710-W799 HydrophobicContact CG2-CZ2 4.14Å; I710-W799 HydrophobicContact CG2-CZ3 3.51Å; S712-W799 PolarHBondContact OG-NE1 3.02Å; L714-W799 HydrophobicContact CD1-CD2 3.9Å; L714-W799 HydrophobicContact CD1-CE3 4.36Å; L714-W799 HydrophobicContact CD1-CG 4.22Å; L714-W799 HydrophobicContact CD1-CZ2 4.12Å; L714-W799 HydrophobicContact CD2-CG 4.48Å; L714-W799 HydrophobicContact CG-CZ2 4.49Å; F730-W799 HydrophobicContact CB-CH2 3.56Å; F730-W799 HydrophobicContact CB-CZ2 3.82Å; F730-W799 HydrophobicContact CB-CZ3 4.44Å; I732-W799 HydrophobicContact CD1-CE3 4.45Å; I732-W799 HydrophobicContact CD1-CZ3 3.83Å; I732-W799 HydrophobicContact CG1-CZ3 4.12Å; L740-W799 HydrophobicContact CD1-CH2 4.07Å; L740-W799 HydrophobicContact CD1-CZ3 3.77Å; F777-W799 HydrophobicContact CE1-CB 4.22Å; F777-W799 HydrophobicContact CE2-CB 4.32Å; F777-W799 HydrophobicContact CZ-CB 3.66Å; F777-W799 HydrophobicContact CZ-CG 4.26Å; L795-W799 VanDerWaalsContact O-CD1 3.27Å; L795-W799 PolarHBondContact O-N 2.78Å; Q796-W799 PolarHBondContact O-N 2.91Å; W799-L803 HydrophobicContact CE3-CD1 3.99Å; W799-L803 HydrophobicContact CE3-CG 4.18Å; W799-L803 VanDerWaalsContact O-CB 3.27Å; W799-L803 WeakPolarHBondContact O-CB 3.09Å; W799-L803 WeakPolarHBondContact O-CD1 3.49Å; W799-L803 VanDerWaalsContact O-CG 3.23Å; W799-L803 WeakPolarHBondContact O-CG 3.26Å; W799-L803 PolarHBondContact O-N 3.32Å
800	M	91	Very high	86.3	Confident	42 Å²	42	59.4 Å²	59.4	21%	0.207	28%	0.284	C	S	.	.	H	α-helix	trans	-66.1	-38.8	179.1	-72.2	179.8	72.4	0	0	112.5	V762 F777 Q796 R797 S804	V762-M800 HydrophobicContact CG1-CB 4.08Å; V762-M800 HydrophobicContact CG1-CE 4.11Å; V762-M800 HydrophobicContact CG1-CG 3.94Å; F777-M800 HydrophobicContact CB-CE 4.19Å; F777-M800 HydrophobicContact CB-CG 3.84Å; F777-M800 HydrophobicContact CB-SD 3.58Å; F777-M800 VanDerWaalsContact CB-SD 3.58Å; F777-M800 HydrophobicContact CD1-CG 4.28Å; F777-M800 HydrophobicContact CD2-CG 3.89Å; F777-M800 HydrophobicContact CE2-CG 4.5Å; F777-M800 HydrophobicContact CG-CG 3.76Å; F777-M800 HydrophobicContact CG-SD 4.12Å; Q796-M800 HydrophobicContact CG-CG 4.37Å; Q796-M800 HydrophobicContact CG-SD 3.76Å; Q796-M800 WeakPolarHBondContact O-CB 3.38Å; Q796-M800 WeakPolarHBondContact O-CG 3.28Å; Q796-M800 PolarHBondContact O-N 2.7Å; R797-M800 PolarHBondContact O-N 2.71Å; M800-S804 VanDerWaalsContact O-CB 3.27Å; M800-S804 WeakPolarHBondContact O-CB 3.48Å; M800-S804 PolarHBondContact O-N 3.49Å; M800-S804 PolarHBondContact O-OG 3Å
801	D	89.3	Confident	84.8	Confident	77 Å²	77	65.3 Å²	65.3	41%	0.412	31%	0.311	S	S	.	.	H	α-helix	trans	-61.2	-57.4	173.7	177.6	64.7	0	0	0	111.9	R797 L803 S804 R805	R797-D801 PolarHBondContact O-N 3.1Å; D801-L803 VanDerWaalsContact C-N 3.32Å; D801-L803 PolarHBondContact O-N 3.38Å; D801-S804 WeakPolarHBondContact O-CA 3.28Å; D801-S804 WeakPolarHBondContact O-CB 3.37Å; D801-S804 PolarHBondContact O-N 3.14Å; D801-R805 WeakPolarHBondContact O-CG 3.36Å; D801-R805 PolarHBondContact O-N 3.1Å; D801-R805 WeakPolarHBondContact OD1-CD 3.41Å; D801-R805 WeakPolarHBondContact OD2-CD 3.35Å; D801-R805 IonicContact OD2-CZ 3.43Å; D801-R805 IonicContact OD2-NE 2.71Å; D801-R805 IonicContact OD2-NH1 3.2Å; D801-R805 PolarHBondContact OD2-NH1 3.16Å
802	V	89.2	Confident	83.4	Confident	17 Å²	17	61.3 Å²	61.3	10%	0.103	30%	0.295	C	S	.	.	H	α-helix	trans	-60.7	-43	-174.7	177.8	0	0	0	0	111.1	V709 I710 I732 R798 S804 R805 A806	V709-V802 HydrophobicContact CB-CG1 4.18Å; V709-V802 HydrophobicContact CG1-CG1 3.64Å; V709-V802 HydrophobicContact CG1-CG2 4.02Å; I710-V802 HydrophobicContact CB-CG2 4.48Å; I710-V802 HydrophobicContact CG2-CB 4.13Å; I710-V802 HydrophobicContact CG2-CG1 3.88Å; I710-V802 HydrophobicContact CG2-CG2 4.31Å; I732-V802 HydrophobicContact CD1-CG1 3.8Å; R798-V802 WeakPolarHBondContact O-CG2 3.47Å; R798-V802 PolarHBondContact O-N 3.16Å; V802-S804 VanDerWaalsContact C-N 3.31Å; V802-S804 PolarHBondContact O-N 3.19Å; V802-R805 PolarHBondContact O-N 3.25Å; V802-A806 WeakPolarHBondContact O-CB 3.38Å; V802-A806 PolarHBondContact O-N 2.88Å
803	L	89.3	Confident	81.6	Confident	3 Å²	3	67.8 Å²	67.8	2%	0.016	32%	0.324	C	S	.	.	H	α-helix	trans	-65.8	-32	175.5	-70.2	167.2	0	0	0	112.5	I732 L740 L757 V762 F777 I779 W799 D801 G807	I732-L803 HydrophobicContact CD1-CD2 3.81Å; I732-L803 HydrophobicContact CD1-CG 4.36Å; L740-L803 HydrophobicContact CD2-CD2 4.43Å; L757-L803 HydrophobicContact CD1-CD2 3.87Å; L757-L803 HydrophobicContact CD2-CD2 3.59Å; L757-L803 HydrophobicContact CG-CD2 4.39Å; V762-L803 HydrophobicContact CG2-CB 3.7Å; F777-L803 HydrophobicContact CE2-CD1 3.63Å; F777-L803 HydrophobicContact CZ-CD1 4.36Å; I779-L803 HydrophobicContact CG2-CB 4.46Å; I779-L803 HydrophobicContact CG2-CD1 4.07Å; W799-L803 HydrophobicContact CE3-CD1 3.99Å; W799-L803 HydrophobicContact CE3-CG 4.18Å; W799-L803 VanDerWaalsContact O-CB 3.27Å; W799-L803 WeakPolarHBondContact O-CB 3.09Å; W799-L803 WeakPolarHBondContact O-CD1 3.49Å; W799-L803 VanDerWaalsContact O-CG 3.23Å; W799-L803 WeakPolarHBondContact O-CG 3.26Å; W799-L803 PolarHBondContact O-N 3.32Å; D801-L803 VanDerWaalsContact C-N 3.32Å; D801-L803 PolarHBondContact O-N 3.38Å; L803-G807 PolarHBondContact O-N 2.96Å
804	S	88.3	Confident	79.4	Confident	31 Å²	31	70.7 Å²	70.7	22%	0.217	34%	0.341	C	S	.	.	H	α-helix	trans	-71.4	-39.5	177.7	-61.7	0	0	0	0	112	V762 M800 D801 V802 G807 R808	V762-S804 WeakPolarHBondContact CB-OG 3.24Å; V762-S804 WeakPolarHBondContact CG2-OG 3.36Å; M800-S804 VanDerWaalsContact O-CB 3.27Å; M800-S804 WeakPolarHBondContact O-CB 3.48Å; M800-S804 PolarHBondContact O-N 3.49Å; M800-S804 PolarHBondContact O-OG 3Å; D801-S804 WeakPolarHBondContact O-CA 3.28Å; D801-S804 WeakPolarHBondContact O-CB 3.37Å; D801-S804 PolarHBondContact O-N 3.14Å; V802-S804 VanDerWaalsContact C-N 3.31Å; V802-S804 PolarHBondContact O-N 3.19Å; S804-G807 PolarHBondContact O-N 3.08Å; S804-R808 WeakPolarHBondContact O-CG 3.49Å; S804-R808 PolarHBondContact O-N 3Å; S804-R808 VanDerWaalsContact O-N 3.11Å; S804-R808 PolarHBondContact O-NH1 2.96Å
805	R	85.1	Confident	77.1	Confident	68 Å²	68	72.5 Å²	72.5	26%	0.257	35%	0.349	S	S	.	.	H	α-helix	trans	-68.6	-48.3	177.8	-67.8	164.3	60.8	-170.4	-2.1	110.9	D801 V802 G807 R808 G809 E810	D801-R805 WeakPolarHBondContact O-CG 3.36Å; D801-R805 PolarHBondContact O-N 3.1Å; D801-R805 WeakPolarHBondContact OD1-CD 3.41Å; D801-R805 WeakPolarHBondContact OD2-CD 3.35Å; D801-R805 IonicContact OD2-CZ 3.43Å; D801-R805 IonicContact OD2-NE 2.71Å; D801-R805 IonicContact OD2-NH1 3.2Å; D801-R805 PolarHBondContact OD2-NH1 3.16Å; V802-R805 PolarHBondContact O-N 3.25Å; R805-G807 PolarHBondContact O-N 3.37Å; R805-R808 PolarHBondContact O-N 3.5Å; R805-R808 VanDerWaalsContact O-N 3.08Å; R805-G809 PolarHBondContact O-N 3.1Å; R805-G809 VanDerWaalsContact O-N 3.13Å; R805-E810 HydrophobicContact CB-CB 4.25Å; R805-E810 WeakPolarHBondContact CG-OE2 3.4Å; R805-E810 PolarHBondContact O-N 3.02Å
806	A	84.8	Confident	74.4	Confident	4 Å²	4	77.2 Å²	77.2	3%	0.033	37%	0.374	C	S	.	.	H	α-helix	trans	-60.5	-35.1	171.7	0	0	0	0	0	112.5	P737 L738 L757 V802 R808 G809	P737-A806 WeakPolarHBondContact O-CB 3.38Å; L738-A806 HydrophobicContact CD2-CB 4.21Å; L757-A806 HydrophobicContact CB-CB 3.82Å; L757-A806 HydrophobicContact CD1-CB 3.57Å; L757-A806 HydrophobicContact CG-CB 4.36Å; V802-A806 WeakPolarHBondContact O-CB 3.38Å; V802-A806 PolarHBondContact O-N 2.88Å; A806-R808 VanDerWaalsContact C-N 3.33Å; A806-R808 PolarHBondContact O-N 2.96Å; A806-G809 PolarHBondContact O-N 3.49Å; A806-G809 VanDerWaalsContact O-N 3.15Å
807	G	84.3	Confident	71.5	Confident	8 Å²	8	81.4 Å²	81.4	8%	0.082	40%	0.404	C	S	.	.	H	α-helix	trans	-58.3	-39.7	171.9	0	0	0	0	0	113.8	L757 G759 F760 L803 S804 R805 G809	L757-G807 WeakPolarHBondContact O-CA 3.46Å; G759-G807 WeakPolarHBondContact CA-O 3.42Å; G759-G807 PolarHBondContact N-O 3.18Å; F760-G807 WeakPolarHBondContact O-CA 3.19Å; L803-G807 PolarHBondContact O-N 2.96Å; S804-G807 PolarHBondContact O-N 3.08Å; R805-G807 PolarHBondContact O-N 3.37Å; G807-G809 VanDerWaalsContact C-N 3.35Å
808	R	83.5	Confident	68.7	Low	149 Å²	149	81.1 Å²	81.1	56%	0.562	41%	0.411	S	S	*	.	H	α-helix	trans	-82.8	-7.1	175.9	-65.1	-173.9	-56	-93.5	-0.3	114.1	S804 R805 A806 E810	S804-R808 WeakPolarHBondContact O-CG 3.49Å; S804-R808 PolarHBondContact O-N 3Å; S804-R808 VanDerWaalsContact O-N 3.11Å; S804-R808 PolarHBondContact O-NH1 2.96Å; R805-R808 PolarHBondContact O-N 3.5Å; R805-R808 VanDerWaalsContact O-N 3.08Å; A806-R808 VanDerWaalsContact C-N 3.33Å; A806-R808 PolarHBondContact O-N 2.96Å; R808-E810 HydrophobicContact CB-CG 4.15Å; R808-E810 IonicContact CZ-OE1 3.78Å; R808-E810 IonicContact CZ-OE2 2.64Å; R808-E810 VanDerWaalsContact NE-CD 3.34Å; R808-E810 IonicContact NE-OE1 3.34Å; R808-E810 PolarHBondContact NE-OE1 3.41Å; R808-E810 IonicContact NE-OE2 2.62Å; R808-E810 PolarHBondContact NE-OE2 2.92Å; R808-E810 IonicContact NH2-OE1 2.75Å; R808-E810 PolarHBondContact NH2-OE1 3.33Å; R808-E810 IonicContact NH2-OE2 2.89Å; R808-E810 PolarHBondContact NH2-OE2 3.19Å
809	G	74.3	Confident	65.8	Low	34 Å²	34	80.3 Å²	80.3	35%	0.351	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	25	-175.4	0	0	0	0	0	113.9	R805 A806 G807	R805-G809 PolarHBondContact O-N 3.1Å; R805-G809 VanDerWaalsContact O-N 3.13Å; A806-G809 PolarHBondContact O-N 3.49Å; A806-G809 VanDerWaalsContact O-N 3.15Å; G807-G809 VanDerWaalsContact C-N 3.35Å
810	E	75.8	Confident	62.9	Low	82 Å²	82	88.7 Å²	88.7	38%	0.383	46%	0.461	S	S	.	.			trans	-85.7	115.1	180	-68.1	167	-171.8	0	0	111.3	R805 R808	R805-E810 HydrophobicContact CB-CB 4.25Å; R805-E810 WeakPolarHBondContact CG-OE2 3.4Å; R805-E810 PolarHBondContact O-N 3.02Å; R808-E810 HydrophobicContact CB-CG 4.15Å; R808-E810 IonicContact CZ-OE1 3.78Å; R808-E810 IonicContact CZ-OE2 2.64Å; R808-E810 VanDerWaalsContact NE-CD 3.34Å; R808-E810 IonicContact NE-OE1 3.34Å; R808-E810 PolarHBondContact NE-OE1 3.41Å; R808-E810 IonicContact NE-OE2 2.62Å; R808-E810 PolarHBondContact NE-OE2 2.92Å; R808-E810 IonicContact NH2-OE1 2.75Å; R808-E810 PolarHBondContact NH2-OE1 3.33Å; R808-E810 IonicContact NH2-OE2 2.89Å; R808-E810 PolarHBondContact NH2-OE2 3.19Å
811	E	57.6	Low	60	Low	129 Å²	129	91.3 Å²	91.3	60%	0.603	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-63	141.1	172.5	-145.7	81.5	-115.5	0	0	110.7	P737 L813	P737-E811 WeakPolarHBondContact CG-OE1 3.44Å; E811-L813 PolarHBondContact O-N 3.11Å
812	P	55.8	Low	57.3	Low	40 Å²	40	93.5 Å²	93.5	26%	0.26	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-64.7	127	177.6	-22.6	33.8	0	0	0	112.8	V709 P737 I814	V709-P812 HydrophobicContact CG1-CG 4.38Å; V709-P812 HydrophobicContact CG2-CG 3.91Å; P737-P812 HydrophobicContact CB-CG 3.57Å; P737-P812 VanDerWaalsContact CG-CD 3.45Å; P737-P812 HydrophobicContact CG-CG 4.05Å; P812-I814 PolarHBondContact O-N 3.37Å
813	L	47.3	Very low	54.6	Low	159 Å²	159	100.9 Å²	100.9	83%	0.832	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-68.9	120	167.3	-66.3	175.9	0	0	0	109.5	E811	E811-L813 PolarHBondContact O-N 3.11Å
814	I	39.8	Very low	51.8	Low	160 Å²	160	109.3 Å²	109.3	82%	0.821	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-66.4	135.5	175.6	-60.1	173.2	0	0	0	109	P812 L816	P812-I814 PolarHBondContact O-N 3.37Å; I814-L816 PolarHBondContact O-N 2.81Å
815	H	36.2	Very low	49.1	Very low	158 Å²	158	117.2 Å²	117.2	73%	0.731	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-57.4	125.1	-178.2	-94.3	-87.4	0	0	0	112.9
816	L	30.4	Very low	46.5	Very low	146 Å²	146	117.6 Å²	117.6	76%	0.764	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-70.4	156.9	144.2	-89.2	81.6	0	0	0	109.1	I814 I818	I814-L816 PolarHBondContact O-N 2.81Å; L816-I818 PolarHBondContact O-N 3.2Å
817	P	28.2	Very low	44	Very low	118 Å²	118	126.6 Å²	126.6	77%	0.766	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-56.8	134.1	170.4	-21.1	32.9	0	0	0	110.6	V819	P817-V819 PolarHBondContact O-N 2.79Å; P817-V819 VanDerWaalsContact O-N 3.13Å
818	I	30.5	Very low	41.4	Very low	137 Å²	137	134.6 Å²	134.6	70%	0.703	71%	0.707	S	S	*	*			trans	-70.2	108.7	169.1	-62.5	173.1	0	0	0	106.8	L816	L816-I818 PolarHBondContact O-N 3.2Å
819	V	29.1	Very low	38.8	Very low	124 Å²	124	134.3 Å²	134.3	75%	0.752	72%	0.716	S	S	*	*			trans	-71.7	130.4	159.4	177.2	0	0	0	0	106.6	P817 S821	P817-V819 PolarHBondContact O-N 2.79Å; P817-V819 VanDerWaalsContact O-N 3.13Å; V819-S821 VanDerWaalsContact C-N 3.34Å; V819-S821 PolarHBondContact O-N 3.14Å
820	E	31.3	Very low	36.7	Very low	176 Å²	176	140 Å²	140	82%	0.822	74%	0.738	S	S	*	*			trans	-68.9	92.1	173.2	-67.7	178.4	131.9	0	0	109.3	V822	E820-V822 PolarHBondContact O-N 3.5Å; E820-V822 VanDerWaalsContact O-N 3.12Å
821	S	29.2	Very low	34.5	Very low	98 Å²	98	139.4 Å²	139.4	69%	0.685	76%	0.755	S	S	*	*			trans	-72.1	96.7	166.5	53	0	0	0	0	108.7	V819 E823	V819-S821 VanDerWaalsContact C-N 3.34Å; V819-S821 PolarHBondContact O-N 3.14Å; S821-E823 PolarHBondContact O-N 3.47Å
822	V	33	Very low	33.3	Very low	123 Å²	123	142 Å²	142	75%	0.745	77%	0.767	S	S	*	*			trans	-71.4	111.3	169.7	-179.8	0	0	0	0	108.4	E820	E820-V822 PolarHBondContact O-N 3.5Å; E820-V822 VanDerWaalsContact O-N 3.12Å
823	E	33.1	Very low	32.2	Very low	171 Å²	171	145.7 Å²	145.7	80%	0.799	79%	0.789	S	S	*	*			trans	-124.7	85.9	164.2	-63.3	-179.5	164.6	0	0	104.3	S821	S821-E823 PolarHBondContact O-N 3.47Å
824	E	30.8	Very low	31.6	Very low	181 Å²	181	146.3 Å²	146.3	85%	0.846	79%	0.787	S	S	*	*				51.4	90.2	95	-69.5	-159.4	143.9	0	0	112.7	G826	E824-G826 PolarHBondContact O-N 2.69Å; E824-G826 VanDerWaalsContact O-N 3.14Å
825	E	32	Very low	31.4	Very low	196 Å²	196	147.1 Å²	147.1	92%	0.916	79%	0.788	S	S	*	*			trans	-70.5	99.4	166.7	-68	-178.5	129.9	0	0	109.6	E827	E825-E827 PolarHBondContact O-N 2.73Å
826	G	29.1	Very low	31.4	Very low	76 Å²	76	147.7 Å²	147.7	78%	0.784	79%	0.791	S	S	*	*			trans	-82.5	89.6	170.5	0	0	0	0	0	112	E824	E824-G826 PolarHBondContact O-N 2.69Å; E824-G826 VanDerWaalsContact O-N 3.14Å
827	E	32.4	Very low	31.5	Very low	193 Å²	193	146.2 Å²	146.2	90%	0.902	78%	0.784	S	S	*	*			trans	-79.3	151.3	157.9	-70.6	-160.4	131.1	0	0	110.6	E825	E825-E827 PolarHBondContact O-N 2.73Å
828	E	30	Very low	32.2	Very low	177 Å²	177	150.2 Å²	150.2	83%	0.827	81%	0.806	S	S	*	*			trans	-89.6	163.9	-168.5	-54.2	-176.7	113.7	0	0	114.6
829	L	29.3	Very low	32.3	Very low	142 Å²	142	150.9 Å²	150.9	74%	0.743	81%	0.811	S	S	*	*			trans	95.8	136	150.3	-70.1	151.6	0	0	0	121.4
830	D	30.3	Very low	32.4	Very low	153 Å²	153	152.3 Å²	152.3	82%	0.818	82%	0.815	S	S	*	*			trans	64.9	118	152.3	-59.4	-18.7	0	0	0	122.2
831	G	29.6	Very low	32.5	Very low	71 Å²	71	151 Å²	151	73%	0.732	81%	0.814	S	S	*	*			trans	147.7	105.6	143.9	0	0	0	0	0	118.4
832	E	31.7	Very low	32.7	Very low	183 Å²	183	154.1 Å²	154.1	86%	0.855	82%	0.822	S	S	*	*				34.2	101.4	128.9	-67.9	178.6	167	0	0	118.6
833	T	33.1	Very low	32.7	Very low	117 Å²	117	156.1 Å²	156.1	72%	0.718	83%	0.826	S	S	*	*				90.7	143	78.6	47.8	0	0	0	0	116.2
834	E	34.1	Very low	32.6	Very low	172 Å²	172	155.1 Å²	155.1	80%	0.804	83%	0.828	S	S	*	*			trans	67.2	118.8	162.6	-71.1	165	-162.1	0	0	116
835	E	35.5	Very low	32.8	Very low	178 Å²	178	153.2 Å²	153.2	83%	0.832	83%	0.827	S	S	*	*				85.3	151	69.1	-79.6	-154.8	152.8	0	0	114.3
836	E	36.2	Very low	32.8	Very low	170 Å²	170	149.9 Å²	149.9	79%	0.794	82%	0.82	S	S	*	*			trans	66.6	144.7	179	-60.9	-149.1	130.8	0	0	117.3
837	N	34.4	Very low	33.1	Very low	115 Å²	115	156.1 Å²	156.1	62%	0.615	82%	0.823	S	S	*	*			cis	-155.3	164.1	-8.5	-127.3	-35.2	0	0	0	113
838	T	41.3	Very low	33.2	Very low	202 Å²	202	152.7 Å²	152.7	100%	1.239	82%	0.816	S	S	*	*			trans	52.2	0	161	59.5	0	0	0	0	119.7

Retrieved 838 of 838 residues in 1175.5 ms (Link to these results)

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