A0A096MMC1_PAPAN Loading...

Diacylglycerol kinase

AlphaFold DB (A0A1D5R745), UniProt , Accession A0A096MMC1, Species PAPAN (Papio anubis, Olive baboon), Gene DGKZ, Length 1,118 aa.

						>A0A096MMC1_PAPAN|A0A096MMC1|DGKZ
METFFRRHFQWKVPGPGEGQRRPSGVGLPTGKARRRSPAGQASSSLAQRRRSSAQLQGCLLSCGVRARGSSRRRSSTVPPSCNPRFIVDKVPTPQPTTVGAQLLGAPLLLTGLVGMNEEEKGVQEDVAAGAWSAVQPGTKTPGPSPPQGARPLSSLPRYLRRASSHLLPADAVYDHALWGLHGYYRRLSQRRPSGQHPGPGGRRASGTTASTVLPTRVRPLSRRRQVALRRKAAGPQAWSALLAKAITKSGLQHLAPPPPTPGAPCSESERQIRSTVDWSESATYGEHIWFETNVSGDFCYVGEQYCVARMLKSVSRRKCAACKIVVHTPCIEQLEKINFRCKPSFRESGSRNVREPTFVRHHWVHRRRQDGKCRHCGKGFQQKFTFHSKEIVAISCSWCKQAYHSKVSCFMLQQIEEPCSLGVHAAVVIPPTWILRARRPQNTLKASKKKKRASFKRKSSKKGPEEGRWRPFIIRPTPSPLMKPLLVFVNPKSGGNQGAKIIQSFLWYLNPRQVFDLSQGGPREALEMYRKVHNLRILACGGDGTVGWILSTLDQLRLKPPPPVAILPLGTGNDLARTLNWGGGYTDEPVSKILSHVEEGNVVQLDRWDLHAEPNPEAGPEDRDEGATDRLPLDVFNNYFSLGFDAHVTLEFHESREANPEKFNSRFRNKMFYAGTAFSDFLMGSSKDLAKHIRVVCDGTDLTPKIQDLKPQCVVFLNIPRYCAGTMPWGHPGEHHDFEPQRHDDGYLEVIGFTMTSLAALQVGGHGERLTQCREVVLTTSKAIPVQVDGEPCKLAASRIRIALRNQATMVQKAKRRSAAPLHSDQQPVPEQLRIQVSRVSMHDYEALHYDKEQLKEASVPLGTVVVPGDSDLELCRAHIERLQQEPDGAGAKSPTCQKLSPKWCFLDATTASRFYRIDRAQEHLNYVTEIAQDEIYILDPELLGASARPDLPTPTSPLPTSPCSPTPRSLQGDAAPPEGEELIEAAKRNDFCKLQELHRAGGDLMHRDERSRTLLHHAVSTGSKDVVRYLLDHAPPEILDAVEENGETCLHQAAALGQRTICHYIVEAGASLMKTDQQGDTPRQRAEKAQDTELAAYLENRQHYQMIQREDQETAV
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.5	Very low	33	Very low	207 Å²	207	181.1 Å²	181.1	100%	1.02	80%	0.797	S	S	*	*				0	-13.5	0	-152.9	171.3	-75.8	0	0	113.3	T3	M1-T3 PolarHBondContact O-N 3.11Å
2	E	27.5	Very low	32.5	Very low	167 Å²	167	181.7 Å²	181.7	78%	0.78	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-27.5	-172.7	-65	164.7	94.4	0	0	116.6	F4 F5 R6	E2-F4 PolarHBondContact O-N 3.17Å; E2-F4 VanDerWaalsContact O-N 3.08Å; E2-F5 PolarHBondContact O-N 3.37Å; E2-F5 VanDerWaalsContact O-N 3.15Å; E2-R6 PolarHBondContact O-N 2.84Å
3	T	31.7	Very low	32.4	Very low	124 Å²	124	178.3 Å²	178.3	76%	0.761	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-18.2	-177.3	45.3	0	0	0	0	113.8	M1	M1-T3 PolarHBondContact O-N 3.11Å
4	F	34.7	Very low	32.4	Very low	149 Å²	149	173.9 Å²	173.9	65%	0.654	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-45.1	175.1	-162.2	-99.2	0	0	0	112.2	E2 R7	E2-F4 PolarHBondContact O-N 3.17Å; E2-F4 VanDerWaalsContact O-N 3.08Å; F4-R7 PolarHBondContact O-N 2.86Å
5	F	32.9	Very low	32.2	Very low	141 Å²	141	166.7 Å²	166.7	62%	0.618	79%	0.791	S	S	*	*	H	α-helix	trans	-68.1	-39.6	-175.9	-83.1	-87	0	0	0	113.1	E2 R7 H8	E2-F5 PolarHBondContact O-N 3.37Å; E2-F5 VanDerWaalsContact O-N 3.15Å; F5-R7 PolarHBondContact O-N 3.33Å; F5-H8 PolarHBondContact O-N 2.6Å
6	R	32.3	Very low	32.7	Very low	232 Å²	232	165.2 Å²	165.2	88%	0.875	80%	0.799	S	S	*	*	H	α-helix	trans	-64	-11.6	-179.5	-106.2	-170.9	-176.3	-166.6	4.3	115.2	E2	E2-R6 PolarHBondContact O-N 2.84Å
7	R	32.9	Very low	32.5	Very low	227 Å²	227	160.1 Å²	160.1	86%	0.857	80%	0.799	S	S	*	*	H	α-helix	trans	-99.9	-16.5	-178.3	-81.1	-174.7	169.6	176.6	-0.8	115.4	F4 F5	F4-R7 PolarHBondContact O-N 2.86Å; F5-R7 PolarHBondContact O-N 3.33Å
8	H	37.8	Very low	32.4	Very low	140 Å²	140	162.8 Å²	162.8	65%	0.648	81%	0.809	S	S	*	*	H	α-helix	trans	-106.8	-15	-173.9	-94.1	-69.3	0	0	0	116	F5	F5-H8 PolarHBondContact O-N 2.6Å
9	F	36.9	Very low	32.2	Very low	167 Å²	167	158.1 Å²	158.1	73%	0.732	81%	0.806	S	S	*	*			trans	-124.2	89.7	-178	-64.1	-80.3	0	0	0	111.8
10	Q	27.3	Very low	32.1	Very low	179 Å²	179	158.1 Å²	158.1	84%	0.836	80%	0.803	S	S	*	*			trans	-100.2	113.8	161.1	-77.5	-169.9	-17.2	0	0	109.5
11	W	28.3	Very low	32	Very low	259 Å²	259	161.5 Å²	161.5	98%	0.981	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-64.4	131.3	164.9	-109.2	-40.1	0	0	0	109.5
12	K	27.4	Very low	31.6	Very low	188 Å²	188	163 Å²	163	82%	0.817	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-102.6	118	163.1	-77.4	-166.9	174.1	-173.3	0	109.4
13	V	30.7	Very low	32.7	Very low	138 Å²	138	160.1 Å²	160.1	84%	0.836	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-77.2	128.6	169.6	-178.6	0	0	0	0	109
14	P	33.1	Very low	32.5	Very low	116 Å²	116	159.9 Å²	159.9	75%	0.753	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-86.6	135.2	169.7	33.1	-30.7	0	0	0	111.1
15	G	29.8	Very low	32.2	Very low	67 Å²	67	156.6 Å²	156.6	69%	0.691	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-83.1	161.6	166.9	0	0	0	0	0	112.3
16	P	39.1	Very low	32	Very low	142 Å²	142	156.9 Å²	156.9	92%	0.922	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-78.1	144.2	-179.4	32.2	-34.8	0	0	0	112.7
17	G	30.6	Very low	31.8	Very low	78 Å²	78	148.9 Å²	148.9	80%	0.804	81%	0.81	S	S	*	*			trans	-169.5	136.4	176.1	0	0	0	0	0	112.6
18	E	30.1	Very low	31.6	Very low	210 Å²	210	146.1 Å²	146.1	98%	0.981	81%	0.812	S	S	*	*			trans	-77.3	172.8	-171.1	-51.2	171.2	108	0	0	114.1
19	G	29.3	Very low	31.9	Very low	73 Å²	73	144.7 Å²	144.7	75%	0.753	82%	0.815	S	S	*	*			trans	143.6	77	149.5	0	0	0	0	0	120.9
20	Q	29.8	Very low	31.5	Very low	158 Å²	158	143.7 Å²	143.7	74%	0.738	82%	0.822	S	S	*	*			trans	38.4	127.2	140.9	-62.1	-164	25.7	0	0	124.3
21	R	29.5	Very low	31.6	Very low	230 Å²	230	138.6 Å²	138.6	87%	0.868	82%	0.818	S	S	*	*			trans	77.6	146	131.2	-66.4	175.7	-178.7	-174.3	1.3	122.4
22	R	31.1	Very low	31.6	Very low	237 Å²	237	136.4 Å²	136.4	89%	0.894	82%	0.816	S	S	*	*			trans	-87.4	-177.9	179.3	-87	-179.1	-178	179.6	1.5	112.2
23	P	50.5	Low	31.6	Very low	107 Å²	107	132.5 Å²	132.5	70%	0.695	82%	0.818	S	S	*	*			cis	-142.8	-178	-22.3	31.5	-9.2	0	0	0	116.6
24	S	29.4	Very low	31.5	Very low	120 Å²	120	138 Å²	138	84%	0.839	82%	0.824	S	S	*	*			trans	84.1	144.1	149.6	-26.9	0	0	0	0	120.7
25	G	28.1	Very low	31.2	Very low	79 Å²	79	143.6 Å²	143.6	81%	0.814	83%	0.83	S	S	*	*			trans	151.9	120.8	153.8	0	0	0	0	0	118.8
26	V	29	Very low	31.2	Very low	147 Å²	147	152.4 Å²	152.4	89%	0.891	84%	0.843	S	S	*	*			trans	-55	153.7	165.2	-179.2	0	0	0	0	112.3
27	G	26.4	Very low	30.7	Very low	64 Å²	64	150.8 Å²	150.8	66%	0.66	84%	0.835	S	S	*	*			cis	151.2	-178.9	-1.5	0	0	0	0	0	112.6
28	L	29.1	Very low	31.9	Very low	170 Å²	170	153.2 Å²	153.2	89%	0.89	84%	0.836	S	S	*	*			trans	73.1	163.3	169.9	-78.4	171.7	0	0	0	118
29	P	44.6	Very low	31.7	Very low	109 Å²	109	148.5 Å²	148.5	71%	0.708	83%	0.833	S	S	*	*				-127.4	173.3	-127.5	45.2	-34.6	0	0	0	116.9
30	T	29	Very low	31.6	Very low	146 Å²	146	148.5 Å²	148.5	90%	0.896	83%	0.833	S	S	*	*			trans	-135.2	150.5	151	58.7	0	0	0	0	111.5
31	G	28.6	Very low	31.5	Very low	73 Å²	73	150.7 Å²	150.7	75%	0.753	84%	0.844	S	S	*	*			trans	-137.5	145.3	169.1	0	0	0	0	0	110.2
32	K	28.3	Very low	31.8	Very low	213 Å²	213	144.5 Å²	144.5	93%	0.926	84%	0.841	S	S	*	*			trans	-136.1	117.4	171.4	-73.2	-173.1	178.5	176.2	0	110.2
33	A	27.2	Very low	31.6	Very low	106 Å²	106	139.2 Å²	139.2	88%	0.876	84%	0.841	S	S	*	*			trans	-77.5	151.7	169.3	0	0	0	0	0	110.6
34	R	28.6	Very low	30.6	Very low	253 Å²	253	139.9 Å²	139.9	96%	0.955	85%	0.848	S	S	*	*			trans	-114.7	130.4	165.4	-141.8	175.2	-169.2	-168.1	2	109.6
35	R	26.5	Very low	30.4	Very low	233 Å²	233	139.7 Å²	139.7	88%	0.879	85%	0.847	S	S	*	*			trans	-73	155.1	-174.7	-63	178.6	175	-166	-0.9	111.6
36	R	29.5	Very low	30.4	Very low	253 Å²	253	144.1 Å²	144.1	96%	0.955	85%	0.851	S	S	*	*			trans	-116	143.9	149.6	-74.9	-172.5	174	-164.5	-3.6	108.2
37	S	30.6	Very low	30.4	Very low	108 Å²	108	140.7 Å²	140.7	76%	0.755	84%	0.838	S	S	*	*			trans	-117.6	161	179	-61.4	0	0	0	0	110.9
38	P	53.9	Low	30.5	Very low	128 Å²	128	146.6 Å²	146.6	83%	0.831	85%	0.848	S	S	*	*			trans	-124.5	143.5	-160.7	38.8	-24	0	0	0	116.8
39	A	26.7	Very low	30.3	Very low	111 Å²	111	149.7 Å²	149.7	92%	0.917	85%	0.848	S	S	*	*			trans	-165.6	159.1	153.5	0	0	0	0	0	108
40	G	27.5	Very low	29.5	Very low	74 Å²	74	155 Å²	155	76%	0.763	85%	0.854	S	S	*	*			cis	-134.6	-169.2	-7.6	0	0	0	0	0	111.2
41	Q	27.9	Very low	29.4	Very low	204 Å²	204	159.8 Å²	159.8	95%	0.953	86%	0.856	S	S	*	*			trans	-107.6	171.8	-171.6	-64.6	-172.8	7.2	0	0	114
42	A	35.5	Very low	29.2	Very low	99 Å²	99	162.2 Å²	162.2	82%	0.818	86%	0.861	S	S	*	*			trans	-84.9	163.5	178.7	0	0	0	0	0	113.1
43	S	26.1	Very low	29.1	Very low	127 Å²	127	157.6 Å²	157.6	89%	0.888	86%	0.856	S	S	*	*			trans	-126.7	156.1	170.2	-72.6	0	0	0	0	110.7
44	S	31.1	Very low	29.1	Very low	121 Å²	121	157.3 Å²	157.3	85%	0.846	85%	0.854	S	S	*	*			trans	-137.9	117.1	-169.3	57.2	0	0	0	0	114.4
45	S	24.8	Very low	29	Very low	116 Å²	116	153.7 Å²	153.7	81%	0.811	85%	0.848	S	S	*	*			trans	-156.2	152.9	167.5	46.9	0	0	0	0	107
46	L	27.7	Very low	29.1	Very low	172 Å²	172	150.3 Å²	150.3	90%	0.901	85%	0.846	S	S	*	*			cis	-134.4	168	5.1	-120.3	155	0	0	0	109.6
47	A	30.1	Very low	28.8	Very low	74 Å²	74	147.7 Å²	147.7	61%	0.612	85%	0.845	S	S	*	*			trans	-129.9	165	175.7	0	0	0	0	0	111.5
48	Q	26.5	Very low	28.6	Very low	189 Å²	189	145.8 Å²	145.8	88%	0.883	84%	0.842	S	S	*	*			trans	69.3	117.8	169.7	-50.8	174	-78.3	0	0	117.7
49	R	26.8	Very low	27.1	Very low	234 Å²	234	145.2 Å²	145.2	88%	0.883	84%	0.84	S	S	*	*				-149.8	123.2	117.1	-107.5	166.3	-163.4	-132.9	3.6	112
50	R	26	Very low	27.1	Very low	221 Å²	221	147.2 Å²	147.2	83%	0.834	83%	0.834	S	S	*	*			trans	37.3	120.2	142.1	-60.1	-179.6	179.6	-157.7	-1.1	118.7
51	R	26.7	Very low	27	Very low	246 Å²	246	151.4 Å²	151.4	93%	0.928	84%	0.838	S	S	*	*				69	110.6	65.7	-76.2	-167.9	-179.5	-174.7	1.1	114.8
52	S	25.1	Very low	26.8	Very low	125 Å²	125	146.7 Å²	146.7	87%	0.874	83%	0.828	S	S	*	*			trans	-156.2	166.2	138.4	53.2	0	0	0	0	108.7
53	S	27.3	Very low	26.4	Very low	115 Å²	115	148.1 Å²	148.1	80%	0.804	83%	0.83	S	S	*	*			trans	-163.5	134.7	-162.6	53.6	0	0	0	0	114.9
54	A	26.7	Very low	26.3	Very low	101 Å²	101	145.6 Å²	145.6	84%	0.835	82%	0.824	S	S	*	*			trans	-146.6	130.7	156.4	0	0	0	0	0	106.8
55	Q	26.5	Very low	26.2	Very low	177 Å²	177	146.4 Å²	146.4	83%	0.827	82%	0.824	S	S	*	*			cis	100.9	75.1	23.7	-161.6	169.1	-7.6	0	0	114.8
56	L	27.7	Very low	26.1	Very low	162 Å²	162	152.3 Å²	152.3	85%	0.848	83%	0.828	S	S	*	*			trans	41.6	113.9	134.2	-76.2	163.9	0	0	0	121.6
57	Q	24.8	Very low	26.1	Very low	198 Å²	198	148.3 Å²	148.3	93%	0.925	82%	0.82	S	S	*	*				-158	153.5	129.6	-97.4	155	7.7	0	0	105.9
58	G	24.7	Very low	26	Very low	67 Å²	67	157.1 Å²	157.1	69%	0.691	84%	0.838	S	S	*	*			cis	101.7	121	26	0	0	0	0	0	108.8
59	C	24.1	Very low	26	Very low	117 Å²	117	151.1 Å²	151.1	79%	0.791	83%	0.826	S	S	*	*			cis	-160.3	154.7	6.2	-111.6	0	0	0	0	112.7
60	L	25.9	Very low	26.2	Very low	152 Å²	152	145.7 Å²	145.7	80%	0.796	82%	0.824	S	S	*	*			trans	37.9	159.7	139.1	-64.8	168.7	0	0	0	124.6
61	L	25.4	Very low	26.3	Very low	163 Å²	163	139.7 Å²	139.7	85%	0.853	82%	0.816	S	S	*	*			trans	77.1	152.6	165.9	-59.5	179.7	0	0	0	116.8
62	S	24.6	Very low	26.4	Very low	105 Å²	105	137.4 Å²	137.4	73%	0.734	81%	0.807	S	S	*	*			cis	-161.4	176.8	-25.1	-168.3	0	0	0	0	110.8
63	C	25.6	Very low	26.6	Very low	128 Å²	128	140.9 Å²	140.9	87%	0.865	80%	0.801	S	S	*	*			trans	-53.9	151.7	-176	-52.8	0	0	0	0	116.9
64	G	24.8	Very low	26.7	Very low	75 Å²	75	145.9 Å²	145.9	77%	0.773	80%	0.802	S	S	*	*			trans	-160.8	121.8	162	0	0	0	0	0	112.9
65	V	28.1	Very low	26.8	Very low	137 Å²	137	146.2 Å²	146.2	83%	0.83	80%	0.799	S	S	*	*			trans	-135.4	117.8	-179.6	176.7	0	0	0	0	111.2
66	R	24	Very low	26.8	Very low	240 Å²	240	143.1 Å²	143.1	91%	0.906	80%	0.797	S	S	*	*			trans	170.6	134.4	147.4	-93.9	154.6	-178.4	-167.5	0.8	107.6
67	A	27.7	Very low	26.9	Very low	88 Å²	88	141.4 Å²	141.4	73%	0.727	79%	0.793	S	S	*	*			cis	90.1	91.3	27.6	0	0	0	0	0	115.4
68	R	27.8	Very low	27	Very low	260 Å²	260	138.6 Å²	138.6	98%	0.981	79%	0.789	S	S	*	*			trans	-177.1	145.2	149.7	-102	170.8	-178.1	-162.5	0	108.3
69	G	26.7	Very low	28.2	Very low	62 Å²	62	140.4 Å²	140.4	64%	0.639	79%	0.789	S	S	*	*			cis	155.3	155.4	-13.3	0	0	0	0	0	113.8
70	S	29.8	Very low	28.7	Very low	120 Å²	120	141.1 Å²	141.1	84%	0.839	79%	0.792	S	S	*	*			trans	73.9	153	175.6	119.5	0	0	0	0	115
71	S	27.9	Very low	28.8	Very low	95 Å²	95	138.9 Å²	138.9	66%	0.664	79%	0.789	S	S	*	*			cis	-172.5	170.9	-15.5	58.8	0	0	0	0	109.3
72	R	30	Very low	28.8	Very low	198 Å²	198	137 Å²	137	75%	0.747	79%	0.788	S	S	*	*			cis	-166.8	144	1	-130.7	165.8	-169.2	-166.3	6.5	109.5
73	R	29.1	Very low	29.2	Very low	198 Å²	198	139.5 Å²	139.5	75%	0.747	79%	0.793	S	S	*	*			trans	55.3	152.9	136.5	-78.3	179.9	-174.1	-162	0.7	121
74	R	28.4	Very low	30.2	Very low	220 Å²	220	138.6 Å²	138.6	83%	0.83	79%	0.786	S	S	*	*			cis	-161.4	177.7	-17.8	-135.7	-178.5	-171.9	-162.4	0.1	109.8
75	S	29.4	Very low	30.3	Very low	109 Å²	109	146.3 Å²	146.3	76%	0.762	79%	0.791	S	S	*	*			trans	-114	159.9	-172.9	46.2	0	0	0	0	114.9
76	S	27.3	Very low	30.4	Very low	112 Å²	112	149 Å²	149	78%	0.783	79%	0.792	S	S	*	*			trans	-163.9	175.4	171.4	50.1	0	0	0	0	111
77	T	28.9	Very low	30.5	Very low	126 Å²	126	145.7 Å²	145.7	77%	0.773	79%	0.791	S	S	*	*				-163.4	115.3	-98.8	30.7	0	0	0	0	113.9
78	V	26.9	Very low	30.7	Very low	138 Å²	138	147.2 Å²	147.2	84%	0.836	79%	0.791	S	S	*	*			trans	66.9	-178.5	160	-126.3	0	0	0	0	116.7
79	P	49.6	Very low	30.7	Very low	106 Å²	106	140.7 Å²	140.7	69%	0.688	78%	0.775	S	S	*	*				-127.9	-170.3	-117.7	46.3	-28.9	0	0	0	115.7
80	P	34	Very low	30.7	Very low	131 Å²	131	145.7 Å²	145.7	85%	0.851	78%	0.78	S	S	*	*			trans	-132.3	-166.6	143.4	38.4	-25.1	0	0	0	113.8
81	S	27.8	Very low	31	Very low	106 Å²	106	146.2 Å²	146.2	74%	0.741	78%	0.778	S	S	*	*			trans	-138	176.3	-159.3	57.1	0	0	0	0	115.7
82	C	27.2	Very low	31.3	Very low	122 Å²	122	147.3 Å²	147.3	82%	0.824	78%	0.782	S	S	*	*			trans	96.5	135	159.3	-58.1	0	0	0	0	120.3
83	N	32.4	Very low	31.5	Very low	159 Å²	159	143.8 Å²	143.8	85%	0.85	78%	0.783	S	S	*	*			trans	-83.3	178.1	163.4	-81.1	-24.9	0	0	0	110.2
84	P	46.6	Very low	31.6	Very low	109 Å²	109	140.6 Å²	140.6	71%	0.708	79%	0.788	S	S	*	*			cis	-146.7	-172	17.8	39.1	-16.2	0	0	0	118.5
85	R	26.7	Very low	31.6	Very low	236 Å²	236	139.1 Å²	139.1	89%	0.891	79%	0.791	S	S	*	*			trans	108.3	152.5	150.2	-73.9	176.1	179	178.8	-0	120.6
86	F	30.3	Very low	32.6	Very low	193 Å²	193	139.4 Å²	139.4	85%	0.846	79%	0.79	S	S	*	*			trans	-89.9	163	-173.8	-65.8	-106	0	0	0	113.4
87	I	25.9	Very low	32.5	Very low	172 Å²	172	140.5 Å²	140.5	88%	0.882	79%	0.792	S	S	*	*			trans	-148.2	158.2	141.6	-102.1	156.6	0	0	0	108.2
88	V	32.2	Very low	32.4	Very low	120 Å²	120	140.6 Å²	140.6	73%	0.727	79%	0.792	S	S	*	*			trans	-131.4	135.4	-176.1	172.9	0	0	0	0	110.2
89	D	27.4	Very low	32.5	Very low	122 Å²	122	140.7 Å²	140.7	65%	0.652	79%	0.793	S	S	*	*			trans	170.6	153.5	156.8	-100	-5.5	0	0	0	108.3
90	K	27.3	Very low	31.3	Very low	168 Å²	168	139.2 Å²	139.2	73%	0.73	80%	0.797	S	S	*	*			cis	-158.6	156.7	-15.1	-128.8	166.9	-161.6	116.3	0	108.4
91	V	36	Very low	31	Very low	131 Å²	131	137.2 Å²	137.2	79%	0.794	79%	0.792	S	S	*	*			trans	-100.4	133.6	174.1	176	0	0	0	0	110.6
92	P	32.9	Very low	31	Very low	117 Å²	117	140.8 Å²	140.8	76%	0.76	80%	0.797	S	S	*	*			trans	-108.8	121.8	160.3	34	-23.4	0	0	0	111.7
93	T	34.7	Very low	31.1	Very low	125 Å²	125	141.3 Å²	141.3	77%	0.767	79%	0.791	S	S	*	*			trans	-93.3	158.1	158.2	46.8	0	0	0	0	110
94	P	31.5	Very low	30.8	Very low	131 Å²	131	141.7 Å²	141.7	85%	0.851	79%	0.792	S	S	*	*			trans	-127.6	173.4	137.2	19	-0	0	0	0	113
95	Q	29	Very low	29.7	Very low	189 Å²	189	140.5 Å²	140.5	88%	0.883	80%	0.799	S	S	*	*			trans	-104.4	174	-164.9	-98.9	-169.5	-1.4	0	0	114.3
96	P	49.4	Very low	30	Very low	115 Å²	115	133.9 Å²	133.9	75%	0.747	80%	0.795	S	S	*	*			trans	-98.3	169	-165.7	39.1	-37.2	0	0	0	115.4
97	T	25.7	Very low	30.6	Very low	135 Å²	135	130 Å²	130	83%	0.828	79%	0.789	S	S	*	*			trans	-140.8	103.4	169.8	43.5	0	0	0	0	114.2
98	T	27.1	Very low	30.6	Very low	127 Å²	127	128.6 Å²	128.6	78%	0.779	78%	0.783	S	S	*	*				34.7	112.1	128.1	-13.4	0	0	0	0	122.3
99	V	29.5	Very low	30.3	Very low	140 Å²	140	129.4 Å²	129.4	85%	0.848	78%	0.782	S	S	*	*			trans	47.8	125.6	131.5	-175.1	0	0	0	0	121.7
100	G	23.6	Very low	30.3	Very low	76 Å²	76	131.8 Å²	131.8	78%	0.784	79%	0.794	S	S	*	*			trans	-149.8	149.2	149.3	0	0	0	0	0	109.5
101	A	28	Very low	30.2	Very low	89 Å²	89	129.8 Å²	129.8	74%	0.736	80%	0.796	S	S	*	*			trans	-141.6	-179.3	-170.8	0	0	0	0	0	113.1
102	Q	26.8	Very low	29.8	Very low	181 Å²	181	126.5 Å²	126.5	85%	0.846	79%	0.789	S	S	*	*			trans	92.6	145.3	-178.7	-56	-179.2	-13.2	0	0	115.7
103	L	29.5	Very low	29.7	Very low	133 Å²	133	129.1 Å²	129.1	70%	0.696	80%	0.796	S	S	*	*			cis	-164.4	155.7	-16.7	-109.4	170.5	0	0	0	110.4
104	L	26.2	Very low	29.4	Very low	167 Å²	167	129.4 Å²	129.4	87%	0.874	80%	0.797	S	S	*	*			trans	63.9	140.9	156.1	-63.8	162.1	0	0	0	120.4
105	G	24	Very low	29.1	Very low	84 Å²	84	126.4 Å²	126.4	87%	0.866	79%	0.79	S	S	*	*			trans	164.5	52.1	172.1	0	0	0	0	0	119
106	A	32.4	Very low	28.8	Very low	96 Å²	96	125.3 Å²	125.3	79%	0.793	79%	0.787	S	S	*	*			trans	-155.7	167.1	169.6	0	0	0	0	0	109.5
107	P	42.9	Very low	27.7	Very low	111 Å²	111	126.3 Å²	126.3	72%	0.721	79%	0.786	S	S	*	*			cis	-132.2	-169.9	1.5	29.7	-5.7	0	0	0	114.1
108	L	26.6	Very low	27.8	Very low	144 Å²	144	129.2 Å²	129.2	75%	0.754	79%	0.79	S	S	*	*				148.1	124.6	126	-77.6	168.8	0	0	0	117.1
109	L	26.9	Very low	27.8	Very low	137 Å²	137	132.5 Å²	132.5	72%	0.717	80%	0.797	S	S	*	*			trans	18.8	140.5	138.9	-63.2	173.1	0	0	0	122.7
110	L	26.7	Very low	27.7	Very low	171 Å²	171	134.7 Å²	134.7	90%	0.895	80%	0.798	S	S	*	*				-152.1	170	106.5	-136.3	108.2	0	0	0	113.3
111	T	25.9	Very low	27.9	Very low	126 Å²	126	141.3 Å²	141.3	77%	0.773	81%	0.805	S	S	*	*			trans	-141.9	165	-164.2	17.4	0	0	0	0	113.9
112	G	27.6	Very low	27.7	Very low	63 Å²	63	140.5 Å²	140.5	65%	0.649	81%	0.805	S	S	*	*			trans	130.3	144.5	164.2	0	0	0	0	0	113.6
113	L	28.9	Very low	27.7	Very low	172 Å²	172	139.4 Å²	139.4	90%	0.901	81%	0.81	S	S	*	*			cis	-151.9	170.2	-1.5	-61.6	168	0	0	0	107.1
114	V	28.4	Very low	27.5	Very low	130 Å²	130	140.2 Å²	140.2	79%	0.788	81%	0.811	S	S	*	*			cis	-146.2	152.5	8.4	-176.6	0	0	0	0	106.8
115	G	25.2	Very low	27.6	Very low	69 Å²	69	141.5 Å²	141.5	71%	0.711	81%	0.812	S	S	*	*			cis	127.6	59.3	-9.6	0	0	0	0	0	117.4
116	M	24.3	Very low	27.7	Very low	165 Å²	165	143.3 Å²	143.3	81%	0.813	80%	0.802	S	S	*	*			trans	-144.4	127.1	168.7	-91.2	-173.6	87.3	0	0	115.6
117	N	26.6	Very low	27.6	Very low	137 Å²	137	145 Å²	145	73%	0.733	80%	0.802	S	S	*	*			trans	40.7	122	146.2	-53.8	13	0	0	0	121.9
118	E	27.3	Very low	26.8	Very low	196 Å²	196	143.7 Å²	143.7	92%	0.916	80%	0.801	S	S	*	*				-155.6	171.8	95.8	-110.2	176.1	-169.3	0	0	110.9
119	E	27	Very low	26.8	Very low	196 Å²	196	142 Å²	142	92%	0.916	81%	0.808	S	S	*	*			trans	-94.4	160.9	-152.4	-62.3	-179.4	120	0	0	116.9
120	E	27.3	Very low	26.7	Very low	186 Å²	186	139.3 Å²	139.3	87%	0.869	81%	0.813	S	S	*	*			trans	-72.7	156.7	175.4	-57.2	-179.1	122.7	0	0	113.8
121	K	27.5	Very low	26.7	Very low	214 Å²	214	135.6 Å²	135.6	93%	0.93	81%	0.807	S	S	*	*			trans	-150.5	101.9	136	-113.9	173.1	-169.2	175.3	0	110.9
122	G	24.4	Very low	26.7	Very low	73 Å²	73	141.3 Å²	141.3	75%	0.753	81%	0.814	S	S	*	*			trans	-82.6	159.7	172.7	0	0	0	0	0	113
123	V	27	Very low	26.6	Very low	157 Å²	157	143.9 Å²	143.9	95%	0.952	82%	0.822	S	S	*	*			trans	-131	137.1	154.1	177.9	0	0	0	0	106.5
124	Q	24.7	Very low	26.6	Very low	150 Å²	150	140.2 Å²	140.2	70%	0.701	82%	0.817	S	S	*	*			trans	-122.7	133.8	-171.6	169.6	-177	-10.7	0	0	108.9	D126	Q124-D126 PolarHBondContact NE2-OD2 2.86Å
125	E	27.9	Very low	26.5	Very low	195 Å²	195	140.8 Å²	140.8	91%	0.911	82%	0.821	S	S	*	*			trans	-137.7	120.2	158.5	-94.6	-172.5	155.4	0	0	110
126	D	27.1	Very low	26.7	Very low	122 Å²	122	146 Å²	146	65%	0.652	83%	0.827	S	S	*	*			trans	-80.5	-179.7	167	-59.3	-90	0	0	0	109.5	Q124	Q124-D126 PolarHBondContact NE2-OD2 2.86Å
127	V	28.7	Very low	27.5	Very low	131 Å²	131	144.1 Å²	144.1	79%	0.794	83%	0.826	S	S	*	*			cis	-163.3	168.8	19.1	76.4	0	0	0	0	112.3
128	A	26	Very low	27.5	Very low	83 Å²	83	141.1 Å²	141.1	69%	0.686	83%	0.828	S	S	*	*			trans	63	97.3	153.2	0	0	0	0	0	121.7
129	A	27	Very low	27.7	Very low	110 Å²	110	138 Å²	138	91%	0.909	82%	0.822	S	S	*	*				9	139	118	0	0	0	0	0	121.3
130	G	24.7	Very low	27.7	Very low	80 Å²	80	138.2 Å²	138.2	83%	0.825	82%	0.82	S	S	*	*			trans	-155	145.7	156.6	0	0	0	0	0	109.8
131	A	26.3	Very low	27.9	Very low	92 Å²	92	135.7 Å²	135.7	76%	0.76	82%	0.818	S	S	*	*			trans	-147.1	168.2	-163.8	0	0	0	0	0	116
132	W	26	Very low	28.6	Very low	246 Å²	246	131.4 Å²	131.4	93%	0.932	81%	0.812	S	S	*	*			trans	101.3	152.8	158	-68.6	1.5	0	0	0	121.6
133	S	26.5	Very low	28.7	Very low	117 Å²	117	131.4 Å²	131.4	82%	0.818	81%	0.812	S	S	*	*			trans	79	89.6	157.6	-64.8	0	0	0	0	120.8
134	A	27.6	Very low	29.4	Very low	96 Å²	96	130.4 Å²	130.4	79%	0.793	81%	0.808	S	S	*	*			trans	-45.8	153	154.5	0	0	0	0	0	117
135	V	27.3	Very low	29.7	Very low	142 Å²	142	128.3 Å²	128.3	86%	0.861	81%	0.81	S	S	*	*			trans	-143	138	143.5	176.5	0	0	0	0	110.3
136	Q	30.4	Very low	30.9	Very low	179 Å²	179	124.4 Å²	124.4	84%	0.836	80%	0.802	S	S	*	*			trans	-137.3	156.8	154.4	-102	-151.5	31.7	0	0	106.3
137	P	41	Very low	31.6	Very low	124 Å²	124	124.5 Å²	124.5	81%	0.805	81%	0.809	S	S	*	*				-150.2	-172.6	50.7	41.9	-21.2	0	0	0	116.2
138	G	26.5	Very low	31.8	Very low	74 Å²	74	127.8 Å²	127.8	76%	0.763	82%	0.816	S	S	*	*			trans	173.7	116.1	162.8	0	0	0	0	0	115.4
139	T	30	Very low	31.9	Very low	131 Å²	131	127.5 Å²	127.5	80%	0.804	82%	0.821	S	S	*	*			trans	-119.8	147	176.6	53.1	0	0	0	0	112.1
140	K	26.8	Very low	31.8	Very low	200 Å²	200	126.8 Å²	126.8	87%	0.87	82%	0.815	S	S	*	*			trans	165	142.1	134.8	-90.2	157.4	-173.3	177	0	115.3
141	T	32.6	Very low	32.1	Very low	133 Å²	133	134.6 Å²	134.6	82%	0.816	82%	0.82	S	S	*	*			trans	-88.9	176.8	156.6	38.3	0	0	0	0	109.6
142	P	41.2	Very low	32.6	Very low	124 Å²	124	136.1 Å²	136.1	81%	0.805	82%	0.822	S	S	*	*			cis	-153.4	173.2	30.1	44.4	-22.8	0	0	0	121
143	G	27.9	Very low	32.7	Very low	73 Å²	73	132.9 Å²	132.9	75%	0.753	82%	0.822	S	S	*	*			trans	78.5	172.5	155.5	0	0	0	0	0	118
144	P	41	Very low	32.7	Very low	136 Å²	136	133 Å²	133	88%	0.883	82%	0.823	S	S	*	*			cis	-128.5	-156.6	1.3	43.6	-26.9	0	0	0	114.7
145	S	30.7	Very low	32.7	Very low	106 Å²	106	133.6 Å²	133.6	74%	0.741	82%	0.821	S	S	*	*			trans	-137.6	-173	175.3	66.5	0	0	0	0	110
146	P	53.2	Low	32.8	Very low	113 Å²	113	135 Å²	135	73%	0.734	82%	0.823	S	S	*	*			cis	-121.5	-151.9	-10.8	38	-16.3	0	0	0	111.3
147	P	42.9	Very low	33.1	Very low	125 Å²	125	131.6 Å²	131.6	81%	0.812	82%	0.816	S	S	*	*				-149.8	-164.9	71.5	40.3	-17.7	0	0	0	115.8
148	Q	32.3	Very low	32.5	Very low	200 Å²	200	135.8 Å²	135.8	94%	0.935	82%	0.816	S	S	*	*			trans	-123.8	154	-177.3	-67.2	-178.7	-16	0	0	114.3
149	G	27.2	Very low	32.7	Very low	77 Å²	77	142.3 Å²	142.3	79%	0.794	82%	0.819	S	S	*	*			trans	108	158.3	158.1	0	0	0	0	0	117.1
150	A	26.7	Very low	32.6	Very low	94 Å²	94	141.6 Å²	141.6	78%	0.777	81%	0.81	S	S	*	*			cis	-167.7	133.7	-15.2	0	0	0	0	0	113.8
151	R	29.5	Very low	32.6	Very low	244 Å²	244	141.9 Å²	141.9	92%	0.921	81%	0.806	S	S	*	*			trans	62.7	171	155.7	-72	-175.6	180	-173.9	1.5	117.4
152	P	36.8	Very low	32.3	Very low	124 Å²	124	145.9 Å²	145.9	81%	0.805	81%	0.806	S	S	*	*			cis	-123.6	-179.8	2.5	42.7	-28.4	0	0	0	116.3
153	L	29.1	Very low	31.5	Very low	178 Å²	178	144 Å²	144	93%	0.932	80%	0.801	S	S	*	*			trans	-122.1	125.6	173	-90.2	167.7	0	0	0	111.4
154	S	27	Very low	31.4	Very low	120 Å²	120	146 Å²	146	84%	0.839	80%	0.803	S	S	*	*			trans	-167.3	155.4	150.5	78.2	0	0	0	0	108.7
155	S	26.8	Very low	30.7	Very low	109 Å²	109	143.7 Å²	143.7	76%	0.762	79%	0.79	S	S	*	*			cis	-147.7	151.9	5.5	67	0	0	0	0	111.6
156	L	28.7	Very low	30.4	Very low	172 Å²	172	146.8 Å²	146.8	90%	0.901	79%	0.793	S	S	*	*			trans	-153.5	129.2	164.3	-101.4	176.2	0	0	0	109.5
157	P	36.8	Very low	29.1	Very low	107 Å²	107	149.4 Å²	149.4	70%	0.695	80%	0.799	S	S	*	*			trans	-95.8	135.8	-179.3	34.1	-31.9	0	0	0	114.4
158	R	29.1	Very low	28.6	Very low	211 Å²	211	151.1 Å²	151.1	80%	0.796	80%	0.801	S	S	*	*			trans	25.5	134.1	135.4	-45.7	176.2	-164.5	173.7	5.2	117
159	Y	29.5	Very low	29.1	Very low	211 Å²	211	146.9 Å²	146.9	83%	0.827	79%	0.791	S	S	*	*			cis	-143.3	136.9	48	-76.4	-97.2	0	0	0	110.4
160	L	29.1	Very low	29	Very low	116 Å²	116	148 Å²	148	61%	0.607	79%	0.792	S	S	*	*				86.7	98.4	59.7	-83.4	175.1	0	0	0	116.7
161	R	26.6	Very low	29	Very low	207 Å²	207	151 Å²	151	78%	0.781	80%	0.795	S	S	*	*			trans	66.1	159.2	142.2	-67.6	179.6	-180	174.4	0	118.1
162	R	25.8	Very low	28.8	Very low	217 Å²	217	144.2 Å²	144.2	82%	0.819	79%	0.791	S	S	*	*			cis	-146	169.2	1.9	-139.1	171.7	-174.5	169.2	-2.1	110.6
163	A	24.1	Very low	28.3	Very low	85 Å²	85	145 Å²	145	70%	0.702	79%	0.793	S	S	*	*			trans	-98.1	-170	178.8	0	0	0	0	0	113.2
164	S	25.6	Very low	28.2	Very low	115 Å²	115	147.2 Å²	147.2	80%	0.804	79%	0.791	S	S	*	*			trans	75.5	141.9	166	72.8	0	0	0	0	117.4
165	S	27	Very low	28	Very low	87 Å²	87	149 Å²	149	61%	0.608	79%	0.791	S	S	*	*			cis	-176	167.3	-10	45.5	0	0	0	0	112.6
166	H	25.6	Very low	28.1	Very low	171 Å²	171	152 Å²	152	79%	0.792	79%	0.793	S	S	*	*			trans	61.8	127.5	158	-58.6	-62.1	0	0	0	119.8
167	L	25.2	Very low	27.9	Very low	167 Å²	167	148.6 Å²	148.6	87%	0.874	79%	0.79	S	S	*	*				-171.9	125.3	104.3	-98.1	166.5	0	0	0	113
168	L	32.8	Very low	27.5	Very low	162 Å²	162	150.2 Å²	150.2	85%	0.848	79%	0.792	S	S	*	*			trans	-130.9	167.9	153.1	-73.9	177.7	0	0	0	105.1
169	P	43	Very low	27.3	Very low	111 Å²	111	152.1 Å²	152.1	72%	0.721	80%	0.799	S	S	*	*			cis	-131.5	-173.7	8.6	43.1	-27.7	0	0	0	114
170	A	25.2	Very low	27.2	Very low	99 Å²	99	145.2 Å²	145.2	82%	0.818	79%	0.792	S	S	*	*			trans	-162	123.4	144.7	0	0	0	0	0	110.5
171	D	25.6	Very low	27.1	Very low	158 Å²	158	147.8 Å²	147.8	85%	0.845	81%	0.806	S	S	*	*			trans	-82.8	152.3	171.7	-63	-78.8	0	0	0	112.1
172	A	25.5	Very low	27	Very low	101 Å²	101	145.6 Å²	145.6	84%	0.835	80%	0.804	S	S	*	*			trans	-149.2	126.7	162.2	0	0	0	0	0	110.6
173	V	25.7	Very low	27	Very low	141 Å²	141	139.1 Å²	139.1	86%	0.855	81%	0.805	S	S	*	*			trans	-88.5	160.2	-178.3	175.4	0	0	0	0	110.9
174	Y	28.1	Very low	27.1	Very low	224 Å²	224	145.4 Å²	145.4	88%	0.878	81%	0.812	S	S	*	*			trans	-45.9	144.7	173.2	-88	-99.7	0	0	0	114.8
175	D	22.6	Very low	27.1	Very low	159 Å²	159	149.5 Å²	149.5	85%	0.85	81%	0.811	S	S	*	*			trans	-143.2	161.5	144.2	-162	6.9	0	0	0	110.6
176	H	28.4	Very low	27	Very low	170 Å²	170	157.2 Å²	157.2	79%	0.787	83%	0.827	S	S	*	*			trans	-130.9	73.6	-154.9	-159.2	6.6	0	0	0	112.8
177	A	25.5	Very low	27.1	Very low	102 Å²	102	160.2 Å²	160.2	84%	0.843	83%	0.831	S	S	*	*			trans	-99.5	97.4	-170.8	0	0	0	0	0	115.5
178	L	26.9	Very low	27.2	Very low	141 Å²	141	160.7 Å²	160.7	74%	0.738	83%	0.834	S	S	*	*			trans	-49.4	149.9	164.6	-84.6	154.9	0	0	0	117.1
179	W	26.6	Very low	27	Very low	251 Å²	251	158.6 Å²	158.6	95%	0.951	83%	0.833	S	S	*	*			trans	63.6	131.7	163.3	-65.3	97.9	0	0	0	121.1
180	G	26.7	Very low	26.4	Very low	66 Å²	66	162.7 Å²	162.7	68%	0.68	84%	0.842	S	S	*	*				143.4	120.7	123.2	0	0	0	0	0	121
181	L	25.7	Very low	26.5	Very low	170 Å²	170	169.5 Å²	169.5	89%	0.89	85%	0.847	S	S	*	*			trans	73	144.8	139.5	-74.9	162.8	0	0	0	124
182	H	26.1	Very low	26.6	Very low	161 Å²	161	173.7 Å²	173.7	75%	0.745	85%	0.851	S	S	*	*			trans	-46.1	139.1	-179.4	-60.2	-59.8	0	0	0	118.9
183	G	25	Very low	27	Very low	81 Å²	81	174.1 Å²	174.1	84%	0.835	85%	0.845	S	S	*	*			trans	-111.1	113.5	149.9	0	0	0	0	0	111.4
184	Y	26.3	Very low	27	Very low	216 Å²	216	173.2 Å²	173.2	85%	0.847	84%	0.844	S	S	*	*			trans	-95.3	148.9	175.5	-115.2	-96.1	0	0	0	112
185	Y	24.8	Very low	27	Very low	202 Å²	202	166.3 Å²	166.3	79%	0.792	84%	0.842	S	S	*	*			trans	-62.5	146.1	-177.2	-79.8	-101.9	0	0	0	114.3
186	R	25.3	Very low	27.4	Very low	248 Å²	248	168.1 Å²	168.1	94%	0.936	85%	0.845	S	S	*	*			trans	-130.5	150.5	139.3	-117.2	-179.4	-173.9	-163.7	1.5	111.6
187	R	28.6	Very low	27.4	Very low	235 Å²	235	168.9 Å²	168.9	89%	0.887	85%	0.849	S	S	*	*			trans	-97.4	153.1	-178.3	-62.4	-176.4	-175.1	-175.1	3.7	110.7
188	L	26.6	Very low	28.4	Very low	177 Å²	177	170.2 Å²	170.2	93%	0.927	85%	0.849	S	S	*	*			trans	-72.1	137.4	161	-72.3	161.4	0	0	0	110.8
189	S	29.2	Very low	28.5	Very low	118 Å²	118	166.5 Å²	166.5	83%	0.825	85%	0.845	S	S	*	*			trans	-131.6	154.7	152.3	52.9	0	0	0	0	108.1
190	Q	31.1	Very low	29.5	Very low	196 Å²	196	161.1 Å²	161.1	92%	0.916	84%	0.842	S	S	*	*			trans	-90	157.9	-160.3	-70	177.3	-31.3	0	0	114.5
191	R	26.4	Very low	29.6	Very low	243 Å²	243	161.9 Å²	161.9	92%	0.917	85%	0.85	S	S	*	*			trans	-55.1	147.6	179.1	-67.6	175.2	163.7	-161.2	-4.8	114.1
192	R	27.6	Very low	29.7	Very low	246 Å²	246	157.1 Å²	157.1	93%	0.928	84%	0.842	S	S	*	*				-143.4	162.6	124	-98.1	-174.7	-179.2	-161.4	-3.1	109.6
193	P	34.8	Very low	29.9	Very low	109 Å²	109	160.8 Å²	160.8	71%	0.708	85%	0.849	S	S	*	*			trans	-113.7	178.5	-149.8	42	-35.8	0	0	0	116.6
194	S	25.7	Very low	30.1	Very low	122 Å²	122	168.5 Å²	168.5	85%	0.853	85%	0.853	S	S	*	*			trans	64.6	121.6	156.6	52.8	0	0	0	0	119.4
195	G	27.6	Very low	30.2	Very low	80 Å²	80	162.1 Å²	162.1	83%	0.825	84%	0.844	S	S	*	*			trans	166.3	108.7	172	0	0	0	0	0	112.8
196	Q	30.6	Very low	30.5	Very low	197 Å²	197	158.6 Å²	158.6	92%	0.921	85%	0.85	S	S	*	*			trans	-40.5	152.5	-176.9	-69.4	151.9	-26.5	0	0	119.5
197	H	28.3	Very low	30.6	Very low	186 Å²	186	150.7 Å²	150.7	86%	0.861	85%	0.845	S	S	*	*			trans	-69	173.5	152.7	-78.5	-77.1	0	0	0	111.1
198	P	47.2	Very low	30.7	Very low	129 Å²	129	146 Å²	146	84%	0.838	84%	0.843	S	S	*	*			cis	-115.1	-162.6	2.9	41.5	-25.7	0	0	0	111
199	G	28.8	Very low	30.8	Very low	64 Å²	64	144.1 Å²	144.1	66%	0.66	84%	0.839	S	S	*	*			cis	177.5	-172.6	29.1	0	0	0	0	0	111
200	P	46.8	Very low	30.8	Very low	138 Å²	138	143.2 Å²	143.2	90%	0.896	84%	0.839	S	S	*	*			trans	-124.7	162.6	-141.2	41	-30.7	0	0	0	117.9
201	G	28.7	Very low	30.7	Very low	82 Å²	82	139 Å²	139	85%	0.845	83%	0.831	S	S	*	*			trans	138.6	142.3	162.4	0	0	0	0	0	113.4
202	G	29.1	Very low	30.7	Very low	69 Å²	69	133.5 Å²	133.5	71%	0.711	83%	0.825	S	S	*	*			cis	161.8	159.1	-10.5	0	0	0	0	0	113.2
203	R	30.1	Very low	30.8	Very low	238 Å²	238	128 Å²	128	90%	0.898	82%	0.818	S	S	*	*			trans	73.1	129.4	172.5	-58.4	-179.5	178.7	-162.2	-1.6	114.5
204	R	28.6	Very low	30.5	Very low	244 Å²	244	130.4 Å²	130.4	92%	0.921	82%	0.824	S	S	*	*				58.8	140.2	87.9	-59.8	-177.9	176.9	-175	-1.2	113.1
205	A	29.4	Very low	31.5	Very low	81 Å²	81	129.4 Å²	129.4	67%	0.669	82%	0.815	S	S	*	*			cis	-142.9	158.1	7.8	0	0	0	0	0	111
206	S	29.5	Very low	31.4	Very low	129 Å²	129	132.6 Å²	132.6	90%	0.902	82%	0.818	S	S	*	*				49.9	124.9	99.5	-49.8	0	0	0	0	116.8
207	G	27.8	Very low	31.3	Very low	82 Å²	82	134.4 Å²	134.4	85%	0.845	82%	0.817	S	S	*	*			trans	166.3	110.6	169.1	0	0	0	0	0	113.8
208	T	31.8	Very low	31.2	Very low	136 Å²	136	132.6 Å²	132.6	83%	0.834	82%	0.819	S	S	*	*			trans	-115.2	136.5	179.2	-45.9	0	0	0	0	109.6
209	T	28.9	Very low	30.2	Very low	137 Å²	137	137.7 Å²	137.7	84%	0.84	82%	0.821	S	S	*	*			trans	-179.6	134.8	144	28.5	0	0	0	0	114.6
210	A	28.6	Very low	30.7	Very low	100 Å²	100	139.9 Å²	139.9	83%	0.826	82%	0.824	S	S	*	*			trans	58.2	154	133.7	0	0	0	0	0	124.4
211	S	27.8	Very low	29.9	Very low	108 Å²	108	141.3 Å²	141.3	76%	0.755	82%	0.823	S	S	*	*			trans	-73.7	178.2	172.9	-53.7	0	0	0	0	112.1
212	T	27.4	Very low	30.1	Very low	127 Å²	127	142.5 Å²	142.5	78%	0.779	82%	0.818	S	S	*	*			cis	-173.3	169.1	39.7	-33.9	0	0	0	0	112.8
213	V	28.8	Very low	30.1	Very low	131 Å²	131	150.4 Å²	150.4	79%	0.794	83%	0.827	S	S	*	*			trans	83.4	147.5	160.7	-151.9	0	0	0	0	119.7
214	L	29.7	Very low	30.1	Very low	158 Å²	158	150.1 Å²	150.1	83%	0.827	83%	0.826	S	S	*	*			trans	-89.3	-163.4	172.6	-84	92.9	0	0	0	110.9
215	P	45.7	Very low	30.1	Very low	102 Å²	102	150.6 Å²	150.6	66%	0.662	83%	0.827	S	S	*	*			cis	-131.7	173.1	-10.4	38.1	-20.7	0	0	0	115.7
216	T	26.6	Very low	29.9	Very low	146 Å²	146	155.8 Å²	155.8	90%	0.896	84%	0.838	S	S	*	*				-179.7	173.9	118.5	28.6	0	0	0	0	112.1
217	R	26.8	Very low	29.9	Very low	235 Å²	235	156.6 Å²	156.6	89%	0.887	84%	0.837	S	S	*	*			trans	-113.5	145	-173.9	-55.3	164.4	174.7	160.9	-2.9	111.5
218	V	27.2	Very low	29.9	Very low	149 Å²	149	156.9 Å²	156.9	90%	0.903	83%	0.831	S	S	*	*			trans	-138.8	160.4	130.4	-165.4	0	0	0	0	108.9
219	R	26.6	Very low	29.8	Very low	235 Å²	235	159 Å²	159	89%	0.887	84%	0.836	S	S	*	*			trans	-113.5	-174.1	-178.3	-99	-178.6	175.8	170.1	0.2	109.2
220	P	38.8	Very low	29.7	Very low	111 Å²	111	163.7 Å²	163.7	72%	0.721	84%	0.838	S	S	*	*			cis	-130.4	176.1	0.3	39.9	-24.1	0	0	0	115.1
221	L	29.3	Very low	29.9	Very low	168 Å²	168	170.9 Å²	170.9	88%	0.88	84%	0.844	S	S	*	*				-151.7	176.9	127.7	-111.8	172.2	0	0	0	110.1
222	S	33.6	Very low	29.9	Very low	106 Å²	106	175 Å²	175	74%	0.741	85%	0.849	S	S	*	*			trans	-81.9	154.1	-147.4	45.3	0	0	0	0	117.9
223	R	29.6	Very low	30	Very low	236 Å²	236	174 Å²	174	89%	0.891	85%	0.853	S	S	*	*			trans	-60.9	165.5	159.8	-58.2	168	165.8	163.9	-7.5	108.8
224	R	30	Very low	30	Very low	232 Å²	232	170.3 Å²	170.3	88%	0.875	84%	0.837	S	S	*	*			cis	-172.2	119	36.1	-166.4	-177.7	-165.2	177.9	4.1	111.8
225	R	27.6	Very low	30.1	Very low	253 Å²	253	164.8 Å²	164.8	96%	0.955	82%	0.817	S	S	*	*			trans	-176.9	90	142.6	-105.8	174.1	-174.4	-163.9	1.9	112
226	Q	26	Very low	29.6	Very low	191 Å²	191	165.4 Å²	165.4	89%	0.893	82%	0.822	S	S	*	*			trans	-126.7	101.9	161.5	-92.8	-172	-23.2	0	0	108.7
227	V	30.1	Very low	30	Very low	146 Å²	146	166.7 Å²	166.7	89%	0.885	82%	0.818	S	S	*	*			trans	-155.5	124.6	165.5	-176.2	0	0	0	0	105.8
228	A	28	Very low	30.4	Very low	87 Å²	87	157.8 Å²	157.8	72%	0.719	79%	0.794	S	S	*	*			cis	-149.1	144.2	-18.1	0	0	0	0	0	109.2	R230	A228-R230 PolarHBondContact O-N 3.42Å; A228-R230 VanDerWaalsContact O-N 3.1Å
229	L	29.8	Very low	31	Very low	180 Å²	180	157.4 Å²	157.4	94%	0.942	78%	0.776	S	S	*	*			trans	-82.2	80.2	176.1	-90.2	167.8	0	0	0	111.5
230	R	25.6	Very low	31.9	Very low	236 Å²	236	148.3 Å²	148.3	89%	0.891	75%	0.749	S	S	*	*			trans	-86.5	104.3	160.9	-100.9	-174	169.6	-177.2	-4.3	109.7	A228 K232	A228-R230 PolarHBondContact O-N 3.42Å; A228-R230 VanDerWaalsContact O-N 3.1Å; R230-K232 PolarHBondContact O-N 2.76Å
231	R	33.9	Very low	32.4	Very low	252 Å²	252	145.4 Å²	145.4	95%	0.951	73%	0.734	S	S	*	*			trans	-60.7	101.4	165.2	-78.4	180	170.7	173.1	-3.1	109.1
232	K	26.2	Very low	33.3	Very low	194 Å²	194	142.3 Å²	142.3	84%	0.843	72%	0.718	S	S	*	*			trans	-98	133.1	152.6	-82.3	-167.6	171.5	-172.2	0	107.9	R230 A234	R230-K232 PolarHBondContact O-N 2.76Å; K232-A234 PolarHBondContact O-N 2.96Å
233	A	30.6	Very low	34	Very low	106 Å²	106	138 Å²	138	88%	0.876	69%	0.687	S	S	*	*			trans	-63.4	116.8	172.4	0	0	0	0	0	109.1	G235	A233-G235 PolarHBondContact O-N 2.85Å
234	A	29.2	Very low	35.1	Very low	54 Å²	54	128.1 Å²	128.1	45%	0.446	66%	0.655	S	S	.	*			trans	-77.3	103.1	-179.8	0	0	0	0	0	109.6	K232 A238	K232-A234 PolarHBondContact O-N 2.96Å; A234-A238 HydrophobicContact CB-CB 4.17Å
235	G	30.3	Very low	36.4	Very low	41 Å²	41	123.8 Å²	123.8	42%	0.423	64%	0.643	S	S	.	*			trans	-57.8	160.1	173.8	0	0	0	0	0	112.5	A233 Q237 A238	A233-G235 PolarHBondContact O-N 2.85Å; G235-Q237 PolarHBondContact O-N 2.85Å; G235-A238 WeakPolarHBondContact O-CB 3.49Å; G235-A238 PolarHBondContact O-N 2.9Å
236	P	35.9	Very low	37.5	Very low	116 Å²	116	113.2 Å²	113.2	75%	0.753	61%	0.609	S	S	*	*	H	α-helix	trans	-56.5	-28.8	-167.7	18.9	-32	0	0	0	114.8	A238 W239 S240	P236-A238 PolarHBondContact O-N 2.88Å; P236-W239 PolarHBondContact O-N 3.4Å; P236-S240 PolarHBondContact O-N 3.04Å
237	Q	34.3	Very low	38.9	Very low	173 Å²	173	104.4 Å²	104.4	81%	0.808	57%	0.568	S	S	*	*	H	α-helix	trans	-62.5	-37.7	175	-65.5	178.5	-7	0	0	113.1	G235 S240 A241	G235-Q237 PolarHBondContact O-N 2.85Å; Q237-S240 PolarHBondContact O-N 2.83Å; Q237-A241 PolarHBondContact O-N 3.01Å
238	A	35.9	Very low	39.9	Very low	47 Å²	47	99 Å²	99	39%	0.388	54%	0.535	S	S	.	.	H	α-helix	trans	-70.3	-37.1	179.3	0	0	0	0	0	111.9	A234 G235 P236 A241 L242	A234-A238 HydrophobicContact CB-CB 4.17Å; G235-A238 WeakPolarHBondContact O-CB 3.49Å; G235-A238 PolarHBondContact O-N 2.9Å; P236-A238 PolarHBondContact O-N 2.88Å; A238-A241 PolarHBondContact O-N 2.73Å; A238-L242 WeakPolarHBondContact O-CG 3.43Å; A238-L242 PolarHBondContact O-N 2.81Å
239	W	39.4	Very low	40.7	Very low	142 Å²	142	100.9 Å²	100.9	54%	0.538	53%	0.528	S	S	.	.	H	α-helix	trans	-64.9	-40.5	171.6	-84.8	103.1	0	0	0	112.3	P236 A241 L242 L243	P236-W239 PolarHBondContact O-N 3.4Å; W239-A241 VanDerWaalsContact C-N 3.33Å; W239-A241 PolarHBondContact O-N 2.69Å; W239-L242 PolarHBondContact O-N 2.65Å; W239-L243 WeakPolarHBondContact O-CB 3.48Å; W239-L243 PolarHBondContact O-N 3.29Å
240	S	46.6	Very low	41.3	Very low	43 Å²	43	94 Å²	94	30%	0.301	49%	0.494	S	S	.	.	H	α-helix	trans	-60.1	-41.6	173.4	-172.9	0	0	0	0	112	P236 Q237 L243 A244	P236-S240 PolarHBondContact O-N 3.04Å; Q237-S240 PolarHBondContact O-N 2.83Å; S240-L243 PolarHBondContact O-N 2.83Å; S240-A244 VanDerWaalsContact O-CB 3.28Å; S240-A244 WeakPolarHBondContact O-CB 3.49Å; S240-A244 PolarHBondContact O-N 2.91Å
241	A	48.4	Very low	42.1	Very low	51 Å²	51	84.4 Å²	84.4	42%	0.421	47%	0.469	S	S	.	.	H	α-helix	trans	-67.6	-35	175.7	0	0	0	0	0	113.6	Q237 A238 W239 K245	Q237-A241 PolarHBondContact O-N 3.01Å; A238-A241 PolarHBondContact O-N 2.73Å; W239-A241 VanDerWaalsContact C-N 3.33Å; W239-A241 PolarHBondContact O-N 2.69Å; A241-K245 WeakPolarHBondContact O-CB 3.44Å; A241-K245 WeakPolarHBondContact O-CG 3.38Å; A241-K245 PolarHBondContact O-N 2.88Å; A241-K245 VanDerWaalsContact O-N 3.09Å
242	L	48.1	Very low	42.3	Very low	102 Å²	102	75.9 Å²	75.9	53%	0.534	44%	0.442	S	S	.	.	H	α-helix	trans	-69.6	-42	173.1	-74.2	169.8	0	0	0	111.8	A238 W239 K245 A246	A238-L242 WeakPolarHBondContact O-CG 3.43Å; A238-L242 PolarHBondContact O-N 2.81Å; W239-L242 PolarHBondContact O-N 2.65Å; L242-K245 PolarHBondContact O-N 2.56Å; L242-A246 PolarHBondContact O-N 2.73Å
243	L	49.3	Very low	42.9	Very low	17 Å²	17	71.2 Å²	71.2	9%	0.089	42%	0.423	C	S	.	.	H	α-helix	trans	-68.3	-39.9	178.1	-171.2	62.2	0	0	0	111.8	W239 S240 K245 A246 I247 I395 F411 L413	W239-L243 WeakPolarHBondContact O-CB 3.48Å; W239-L243 PolarHBondContact O-N 3.29Å; S240-L243 PolarHBondContact O-N 2.83Å; L243-K245 VanDerWaalsContact C-N 3.35Å; L243-K245 PolarHBondContact O-N 2.85Å; L243-A246 WeakPolarHBondContact O-CB 3.48Å; L243-A246 PolarHBondContact O-N 2.84Å; L243-A246 VanDerWaalsContact O-N 3.16Å; L243-I247 HydrophobicContact CD1-CD1 4.37Å; L243-I247 HydrophobicContact CG-CD1 4.11Å; L243-I247 PolarHBondContact O-N 3.02Å; L243-I395 HydrophobicContact CD2-CD1 3.62Å; L243-I395 HydrophobicContact CG-CD1 4.36Å; L243-F411 HydrophobicContact CD1-CD1 4.09Å; L243-F411 HydrophobicContact CD1-CE1 4.14Å; L243-F411 HydrophobicContact CD2-CD1 4.23Å; L243-L413 HydrophobicContact CD1-CD1 3.74Å
244	A	52.2	Low	43	Very low	28 Å²	28	74.9 Å²	74.9	23%	0.231	42%	0.422	C	S	.	.	H	α-helix	trans	-58.9	-45.3	170.3	0	0	0	0	0	111.6	S240 A246 I247 T248	S240-A244 VanDerWaalsContact O-CB 3.28Å; S240-A244 WeakPolarHBondContact O-CB 3.49Å; S240-A244 PolarHBondContact O-N 2.91Å; A244-A246 VanDerWaalsContact C-N 3.35Å; A244-A246 PolarHBondContact O-N 3.05Å; A244-I247 PolarHBondContact O-N 2.98Å; A244-T248 WeakPolarHBondContact O-CB 3.22Å; A244-T248 PolarHBondContact O-N 3.46Å; A244-T248 PolarHBondContact O-OG1 2.89Å; A244-T248 VanDerWaalsContact O-OG1 3.13Å
245	K	56.8	Low	43.2	Very low	141 Å²	141	78 Å²	78	61%	0.613	43%	0.431	S	S	*	.	H	α-helix	trans	-62.7	-39.7	173.4	-76.3	174.1	179.7	178.8	0	111.7	A241 L242 L243 K249	A241-K245 WeakPolarHBondContact O-CB 3.44Å; A241-K245 WeakPolarHBondContact O-CG 3.38Å; A241-K245 PolarHBondContact O-N 2.88Å; A241-K245 VanDerWaalsContact O-N 3.09Å; L242-K245 PolarHBondContact O-N 2.56Å; L243-K245 VanDerWaalsContact C-N 3.35Å; L243-K245 PolarHBondContact O-N 2.85Å; K245-K249 WeakPolarHBondContact O-CB 3.37Å; K245-K249 WeakPolarHBondContact O-CG 3.33Å; K245-K249 PolarHBondContact O-N 3.23Å
246	A	51.8	Low	43.2	Very low	30 Å²	30	79.6 Å²	79.6	25%	0.248	44%	0.439	C	S	.	.	H	α-helix	trans	-63.7	-44.6	176.7	0	0	0	0	0	112.4	L242 L243 A244 K249 S250 I416	L242-A246 PolarHBondContact O-N 2.73Å; L243-A246 WeakPolarHBondContact O-CB 3.48Å; L243-A246 PolarHBondContact O-N 2.84Å; L243-A246 VanDerWaalsContact O-N 3.16Å; A244-A246 VanDerWaalsContact C-N 3.35Å; A244-A246 PolarHBondContact O-N 3.05Å; A246-K249 CarbonylContact O-C 3.51Å; A246-K249 PolarHBondContact O-N 2.92Å; A246-S250 PolarHBondContact O-N 3.49Å; A246-I416 HydrophobicContact CB-CD1 4.43Å
247	I	55.2	Low	42.9	Very low	6 Å²	6	78.6 Å²	78.6	3%	0.031	43%	0.433	C	S	.	.	H	α-helix	trans	-68.6	-43.1	179.3	-76.4	163.8	0	0	0	111.8	L243 A244 K249 S250 W364 H366 I395 F411 I416	L243-I247 HydrophobicContact CD1-CD1 4.37Å; L243-I247 HydrophobicContact CG-CD1 4.11Å; L243-I247 PolarHBondContact O-N 3.02Å; A244-I247 PolarHBondContact O-N 2.98Å; I247-K249 VanDerWaalsContact C-N 3.27Å; I247-K249 PolarHBondContact O-N 2.92Å; I247-S250 PolarHBondContact O-N 2.82Å; I247-S250 PolarHBondContact O-OG 2.82Å; I247-W364 HydrophobicContact CD1-CB 4.46Å; I247-W364 HydrophobicContact CG1-CB 4.29Å; I247-W364 HydrophobicContact CG2-CB 3.89Å; I247-W364 WeakPolarHBondContact CG2-O 3.47Å; I247-H366 VanDerWaalsContact CD1-NE2 3.29Å; I247-H366 WeakPolarHBondContact CD1-NE2 3.4Å; I247-I395 HydrophobicContact CD1-CD1 4.02Å; I247-I395 HydrophobicContact CD1-CG2 3.84Å; I247-F411 HydrophobicContact CD1-CE1 3.89Å; I247-F411 HydrophobicContact CD1-CZ 4.31Å; I247-F411 HydrophobicContact CG1-CE1 4.41Å; I247-I416 HydrophobicContact CG1-CD1 4.19Å
248	T	51.2	Low	42.7	Very low	32 Å²	32	75.8 Å²	75.8	20%	0.196	43%	0.429	C	S	.	.	H	α-helix	trans	-65.8	-30.8	173	-57.7	0	0	0	0	111.7	A244 I338	A244-T248 WeakPolarHBondContact O-CB 3.22Å; A244-T248 PolarHBondContact O-N 3.46Å; A244-T248 PolarHBondContact O-OG1 2.89Å; A244-T248 VanDerWaalsContact O-OG1 3.13Å; T248-I338 WeakPolarHBondContact CG2-O 3.09Å
249	K	44.6	Very low	42.5	Very low	128 Å²	128	79 Å²	79	56%	0.557	45%	0.446	S	S	*	.	H	α-helix	trans	-76.3	-27.9	173.5	-75.4	-168.5	162.6	-162.9	0	114.4	K245 A246 I247 G251	K245-K249 WeakPolarHBondContact O-CB 3.37Å; K245-K249 WeakPolarHBondContact O-CG 3.33Å; K245-K249 PolarHBondContact O-N 3.23Å; A246-K249 CarbonylContact O-C 3.51Å; A246-K249 PolarHBondContact O-N 2.92Å; I247-K249 VanDerWaalsContact C-N 3.27Å; I247-K249 PolarHBondContact O-N 2.92Å; K249-G251 PolarHBondContact O-N 3.04Å
250	S	41.3	Very low	42.1	Very low	34 Å²	34	78 Å²	78	24%	0.238	46%	0.458	C	S	.	.	H	α-helix	trans	-69.4	-21.2	176.9	65	0	0	0	0	112.9	A246 I247 L252	A246-S250 PolarHBondContact O-N 3.49Å; I247-S250 PolarHBondContact O-N 2.82Å; I247-S250 PolarHBondContact O-OG 2.82Å; S250-L252 PolarHBondContact O-N 2.81Å
251	G	43.7	Very low	41.4	Very low	35 Å²	35	82 Å²	82	36%	0.361	48%	0.481	S	S	.	.	S	Bend	trans	-68.6	60.3	164.1	0	0	0	0	0	113.5	K249	K249-G251 PolarHBondContact O-N 3.04Å
252	L	37.2	Very low	40.7	Very low	74 Å²	74	86.2 Å²	86.2	39%	0.387	50%	0.504	S	S	.	.			trans	53	95.6	169.6	-80	157.9	0	0	0	116.4	S250 Y285	S250-L252 PolarHBondContact O-N 2.81Å; L252-Y285 HydrophobicContact CD1-CE1 3.48Å; L252-Y285 VanDerWaalsContact CD1-CE1 3.48Å; L252-Y285 VanDerWaalsContact CD1-OH 3.26Å; L252-Y285 WeakPolarHBondContact CD1-OH 3.47Å
253	Q	39	Very low	40.3	Very low	96 Å²	96	84.9 Å²	84.9	45%	0.449	52%	0.515	S	S	.	.			trans	-119.8	11.1	172.1	-65	-160	-8.1	0	0	115.7
254	H	33.3	Very low	39.2	Very low	182 Å²	182	88 Å²	88	84%	0.843	54%	0.544	S	S	*	.	S	Bend	trans	-127.3	1	-172.2	-122.2	-63.1	0	0	0	117.6
255	L	33.3	Very low	38.2	Very low	121 Å²	121	93.4 Å²	93.4	63%	0.634	58%	0.576	S	S	*	*	S	Bend	trans	-139.6	10	176.9	-74.1	177.8	0	0	0	114.3	E356	L255-E356 HydrophobicContact CD1-CG 4.33Å
256	A	28.8	Very low	36.7	Very low	73 Å²	73	92.2 Å²	92.2	60%	0.603	58%	0.584	S	S	*	*	S	Bend	trans	-68.3	140.3	169.6	0	0	0	0	0	109.8
257	P	29.6	Very low	35.5	Very low	96 Å²	96	95.5 Å²	95.5	62%	0.623	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-61.3	153.3	169.1	28.2	-34.3	0	0	0	110.2
258	P	30.8	Very low	34.3	Very low	113 Å²	113	104.5 Å²	104.5	73%	0.734	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-59.1	149.7	175	26.9	-34.8	0	0	0	110.5
259	P	32	Very low	33.5	Very low	114 Å²	114	107.7 Å²	107.7	74%	0.74	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-59.5	145.9	174.1	27.3	-34.6	0	0	0	110.1
260	P	30.4	Very low	33.3	Very low	121 Å²	121	110.6 Å²	110.6	79%	0.786	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-59.4	141.9	171.9	27.2	-34.1	0	0	0	109.8
261	T	32.1	Very low	34	Very low	128 Å²	128	118.1 Å²	118.1	79%	0.785	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-58.9	133.2	177.7	38.4	0	0	0	0	110.9	G263	T261-G263 PolarHBondContact O-N 3.26Å
262	P	34.9	Very low	35.1	Very low	140 Å²	140	124.6 Å²	124.6	91%	0.909	73%	0.731	S	S	*	*	S	Bend	trans	-68	104.2	177.1	28.2	-33.3	0	0	0	109.3
263	G	38	Very low	37.2	Very low	74 Å²	74	123.8 Å²	123.8	76%	0.763	73%	0.726	S	S	*	*			trans	-172.5	30.7	-167.4	0	0	0	0	0	115.4	T261	T261-G263 PolarHBondContact O-N 3.26Å
264	A	27.4	Very low	39.3	Very low	83 Å²	83	122.7 Å²	122.7	69%	0.686	72%	0.718	S	S	*	*			trans	-154.9	130.1	166.8	0	0	0	0	0	109.9	C266	A264-C266 VanDerWaalsContact C-N 3.31Å; A264-C266 PolarHBondContact O-N 3.42Å
265	P	31.5	Very low	41.9	Very low	140 Å²	140	116.7 Å²	116.7	91%	0.909	70%	0.696	S	S	*	*			trans	-75.8	84.2	172.5	31.6	-33.2	0	0	0	109.5
266	C	25.1	Very low	44.4	Very low	117 Å²	117	113.4 Å²	113.4	79%	0.791	68%	0.681	S	S	*	*			trans	-73.9	126.7	167.8	-171.1	0	0	0	0	108.7	A264	A264-C266 VanDerWaalsContact C-N 3.31Å; A264-C266 PolarHBondContact O-N 3.42Å
267	S	25.9	Very low	47.3	Very low	99 Å²	99	111.1 Å²	111.1	69%	0.692	66%	0.66	S	S	*	*			trans	-48.9	137.9	174.1	174.9	0	0	0	0	111.5	S269	S267-S269 PolarHBondContact O-N 3Å
268	E	30.9	Very low	50.1	Low	195 Å²	195	107.6 Å²	107.6	91%	0.911	64%	0.636	S	S	*	*			trans	-71.9	70.1	177.1	-66.9	-169.3	130.5	0	0	111.2	E270	E268-E270 PolarHBondContact O-N 2.86Å
269	S	32.9	Very low	52.9	Low	98 Å²	98	105 Å²	105	69%	0.685	61%	0.611	S	S	*	*			trans	-72.6	111.4	163	-58.6	0	0	0	0	108.5	S267 R271	S267-S269 PolarHBondContact O-N 3Å; S269-R271 PolarHBondContact O-N 3.29Å
270	E	41.8	Very low	55.5	Low	189 Å²	189	101.8 Å²	101.8	88%	0.883	59%	0.592	S	S	*	*			trans	-48.8	126.8	176.6	-64.4	-172.2	124.3	0	0	110.6	E268 Q272	E268-E270 PolarHBondContact O-N 2.86Å; E270-Q272 VanDerWaalsContact C-N 3.34Å; E270-Q272 PolarHBondContact O-N 3.09Å
271	R	55.9	Low	58.1	Low	192 Å²	192	100.1 Å²	100.1	73%	0.725	57%	0.573	S	S	*	*			trans	-67.6	94.5	176.3	-83.6	-168.2	-177.7	164.5	6.7	109.8	S269 I273 E336	S269-R271 PolarHBondContact O-N 3.29Å; R271-I273 PolarHBondContact O-N 3.04Å; R271-I273 VanDerWaalsContact O-N 3.13Å; R271-E336 IonicContact CZ-OE2 3.16Å; R271-E336 IonicContact NH1-OE1 3.57Å; R271-E336 PolarHBondContact NH1-OE1 2.81Å; R271-E336 IonicContact NH1-OE2 2.64Å; R271-E336 PolarHBondContact NH1-OE2 2.81Å
272	Q	66.8	Low	60.6	Low	172 Å²	172	97 Å²	97	80%	0.804	56%	0.557	S	S	*	*			trans	-51.1	116.9	-178.2	-163.8	179.7	39.4	0	0	111.2	E270 R274	E270-Q272 VanDerWaalsContact C-N 3.34Å; E270-Q272 PolarHBondContact O-N 3.09Å; Q272-R274 WeakPolarHBondContact O-CG 3.39Å; Q272-R274 PolarHBondContact O-N 3Å
273	I	81.2	Confident	63.1	Low	56 Å²	56	90.4 Å²	90.4	29%	0.287	51%	0.514	S	S	.	.			trans	-73.9	100.3	-171.3	-56	165.3	0	0	0	109.6	R271 W290 R318 T329 I332	R271-I273 PolarHBondContact O-N 3.04Å; R271-I273 VanDerWaalsContact O-N 3.13Å; I273-W290 HydrophobicContact CG2-CB 3.81Å; I273-W290 HydrophobicContact CG2-CG 3.81Å; I273-R318 VanDerWaalsContact CG2-NH1 3.28Å; I273-R318 PolarHBondContact O-NH1 2.99Å; I273-T329 HydrophobicContact CD1-CG2 3.65Å; I273-I332 HydrophobicContact CD1-CD1 3.97Å; I273-I332 HydrophobicContact CG1-CD1 4.37Å; I273-I332 HydrophobicContact CG2-CD1 3.84Å
274	R	83.6	Confident	65.5	Low	74 Å²	74	90.1 Å²	90.1	28%	0.279	50%	0.497	S	S	.	.			trans	-72.4	134	-172.8	-58.2	-171.7	-177.6	151.9	-21.1	113.7	Q272 D278 S282 E287 W290	Q272-R274 WeakPolarHBondContact O-CG 3.39Å; Q272-R274 PolarHBondContact O-N 3Å; R274-D278 IonicContact CZ-OD2 2.69Å; R274-D278 VanDerWaalsContact NH1-CB 3.28Å; R274-D278 VanDerWaalsContact NH1-CG 3.31Å; R274-D278 IonicContact NH1-OD2 2.86Å; R274-D278 PolarHBondContact NH1-OD2 2.81Å; R274-D278 IonicContact NH2-OD2 3.78Å; R274-D278 PolarHBondContact NH2-OD2 3.25Å; R274-S282 PolarHBondContact NH2-OG 3.49Å; R274-E287 WeakPolarHBondContact CD-OE1 3.34Å; R274-E287 IonicContact CZ-OE1 2.69Å; R274-E287 IonicContact NE-OE1 3.56Å; R274-E287 IonicContact NH1-OE1 2.76Å; R274-E287 PolarHBondContact NH1-OE1 2.89Å; R274-E287 IonicContact NH1-OE2 3.25Å; R274-W290 PolarHBondContact O-N 2.74Å
275	S	86.1	Confident	68.3	Low	56 Å²	56	88.6 Å²	88.6	39%	0.392	47%	0.474	S	S	.	.	S	Bend	trans	-98.4	-3.8	168.3	52.4	0	0	0	0	113.3	I289 W290 F291	S275-I289 VanDerWaalsContact C-CG2 3.43Å; S275-I289 WeakPolarHBondContact O-CG2 3.44Å; S275-W290 VanDerWaalsContact CA-O 3.26Å; S275-W290 WeakPolarHBondContact CA-O 3.19Å; S275-W290 VanDerWaalsContact CB-O 3.24Å; S275-W290 WeakPolarHBondContact CB-O 3.35Å; S275-F291 VanDerWaalsContact O-CZ 3.25Å; S275-F291 WeakPolarHBondContact O-CZ 3.45Å
276	T	87	Confident	71.1	Confident	51 Å²	51	82.1 Å²	82.1	31%	0.313	43%	0.433	S	S	.	.	S	Bend	trans	-123.2	172.2	-172.3	65	0	0	0	0	111.5	Q520	T276-Q520 VanDerWaalsContact CG2-NE2 3.29Å
277	V	90.1	Very high	74.2	Confident	26 Å²	26	79.1 Å²	79.1	16%	0.158	41%	0.407	C	S	.	.			trans	-94.9	114.6	-178.5	177.7	0	0	0	0	110.3	W279 I289 L507 P512 R513	V277-W279 PolarHBondContact O-N 3Å; V277-I289 HydrophobicContact CG2-CD1 3.66Å; V277-L507 HydrophobicContact CG2-CD2 4.25Å; V277-P512 HydrophobicContact CG2-CB 3.88Å; V277-R513 HydrophobicContact CG1-CG 3.74Å
278	D	88.4	Confident	77.4	Confident	22 Å²	22	75.4 Å²	75.4	12%	0.118	38%	0.379	C	S	.	.			trans	-72	124.9	178.6	-177	12.7	0	0	0	112.5	R274 S280 S282 A283 R513	R274-D278 IonicContact CZ-OD2 2.69Å; R274-D278 VanDerWaalsContact NH1-CB 3.28Å; R274-D278 VanDerWaalsContact NH1-CG 3.31Å; R274-D278 IonicContact NH1-OD2 2.86Å; R274-D278 PolarHBondContact NH1-OD2 2.81Å; R274-D278 IonicContact NH2-OD2 3.78Å; R274-D278 PolarHBondContact NH2-OD2 3.25Å; D278-S280 WeakPolarHBondContact OD1-CB 3.3Å; D278-S280 PolarHBondContact OD1-N 2.86Å; D278-S280 PolarHBondContact OD1-OG 3.02Å; D278-S280 PolarHBondContact OD2-OG 2.87Å; D278-S280 VanDerWaalsContact OD2-OG 3.06Å; D278-S282 PolarHBondContact OD2-OG 3.33Å; D278-A283 HydrophobicContact CB-CB 4.04Å; D278-A283 WeakPolarHBondContact O-CB 3.39Å; D278-A283 WeakPolarHBondContact OD2-CA 3.41Å; D278-A283 PolarHBondContact OD2-N 3.27Å; D278-R513 VanDerWaalsContact O-CZ 3.22Å; D278-R513 PolarHBondContact O-NH1 3.33Å; D278-R513 PolarHBondContact O-NH2 3.31Å
279	W	88.4	Confident	80.4	Confident	58 Å²	58	66.7 Å²	66.7	22%	0.22	34%	0.339	C	S	.	.			trans	-109.1	3.7	176.5	-69.3	100.6	0	0	0	113.8	V277 F473 R513 F516 M529 Y530	V277-W279 PolarHBondContact O-N 3Å; W279-F473 HydrophobicContact CE3-CB 4.11Å; W279-F473 AromaticContact CE3-CD2 3.79Å; W279-F473 HydrophobicContact CE3-CD2 3.79Å; W279-F473 HydrophobicContact CE3-CE2 4.42Å; W279-F473 AromaticContact CE3-CG 3.91Å; W279-F473 HydrophobicContact CE3-CG 3.91Å; W279-F473 HydrophobicContact CZ3-CB 4.13Å; W279-F473 HydrophobicContact CZ3-CD2 4.48Å; W279-F473 HydrophobicContact CZ3-CG 4.15Å; W279-F473 WeakPolarHBondContact O-CD2 3.43Å; W279-R513 HydrophobicContact CH2-CB 3.5Å; W279-R513 HydrophobicContact CH2-CG 3.63Å; W279-R513 HydrophobicContact CZ2-CB 3.69Å; W279-R513 HydrophobicContact CZ2-CG 3.7Å; W279-R513 WeakPolarHBondContact CZ2-O 3.48Å; W279-R513 HydrophobicContact CZ3-CB 4.38Å; W279-R513 HydrophobicContact CZ3-CG 4.15Å; W279-F516 AromaticContact CE2-CE1 3.92Å; W279-F516 HydrophobicContact CH2-CZ 4.18Å; W279-F516 AromaticContact CZ2-CE1 3.68Å; W279-F516 HydrophobicContact CZ2-CE1 3.68Å; W279-F516 AromaticContact CZ2-CZ 3.5Å; W279-F516 HydrophobicContact CZ2-CZ 3.5Å; W279-F516 AromaticContact NE1-CE1 3.87Å; W279-M529 HydrophobicContact CD2-CE 4.25Å; W279-M529 HydrophobicContact CE3-CE 3.73Å; W279-M529 HydrophobicContact CE3-SD 3.89Å; W279-M529 HydrophobicContact CH2-CE 4.4Å; W279-M529 HydrophobicContact CH2-SD 3.85Å; W279-M529 HydrophobicContact CZ3-CE 3.83Å; W279-M529 HydrophobicContact CZ3-SD 3.35Å; W279-M529 WeakPolarHBondContact CZ3-SD 3.43Å; W279-Y530 HydrophobicContact CH2-CE2 4.23Å
280	S	87.8	Confident	83.3	Confident	47 Å²	47	62.5 Å²	62.5	33%	0.329	31%	0.308	S	S	.	.	S	Bend	trans	-78	179.5	-178.3	73.5	0	0	0	0	113.9	D278 S282	D278-S280 WeakPolarHBondContact OD1-CB 3.3Å; D278-S280 PolarHBondContact OD1-N 2.86Å; D278-S280 PolarHBondContact OD1-OG 3.02Å; D278-S280 PolarHBondContact OD2-OG 2.87Å; D278-S280 VanDerWaalsContact OD2-OG 3.06Å; S280-S282 PolarHBondContact O-N 2.91Å; S280-S282 PolarHBondContact OG-N 2.9Å; S280-S282 PolarHBondContact OG-OG 3.24Å
281	E	83.4	Confident	85.7	Confident	85 Å²	85	55.2 Å²	55.2	40%	0.397	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.6	167.4	-60.7	-149.9	-132.6	0	0	113.1	R437 R440 W470 P472	E281-R437 PolarHBondContact O-NH2 3.27Å; E281-R440 IonicContact OE1-CZ 3.83Å; E281-R440 IonicContact OE1-NH1 2.84Å; E281-R440 PolarHBondContact OE1-NH1 2.78Å; E281-W470 VanDerWaalsContact CD-CH2 3.41Å; E281-W470 HydrophobicContact CG-CH2 3.65Å; E281-W470 HydrophobicContact CG-CZ3 3.54Å; E281-W470 VanDerWaalsContact OE1-CZ3 3.31Å; E281-W470 WeakPolarHBondContact OE1-CZ3 3.34Å; E281-W470 WeakPolarHBondContact OE2-CH2 3.35Å; E281-P472 HydrophobicContact CG-CG 4.14Å
282	S	85.1	Confident	87.3	Confident	64 Å²	64	52.2 Å²	52.2	45%	0.448	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-11	-174.4	74.3	0	0	0	0	115.4	R274 D278 S280 T284	R274-S282 PolarHBondContact NH2-OG 3.49Å; D278-S282 PolarHBondContact OD2-OG 3.33Å; S280-S282 PolarHBondContact O-N 2.91Å; S280-S282 PolarHBondContact OG-N 2.9Å; S280-S282 PolarHBondContact OG-OG 3.24Å; S282-T284 PolarHBondContact O-N 2.67Å
283	A	87.9	Confident	88.1	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.236	C	C	.	.			trans	-56.7	124.9	-169.8	0	0	0	0	0	114.2	D278 R437 F473	D278-A283 HydrophobicContact CB-CB 4.04Å; D278-A283 WeakPolarHBondContact O-CB 3.39Å; D278-A283 WeakPolarHBondContact OD2-CA 3.41Å; D278-A283 PolarHBondContact OD2-N 3.27Å; A283-R437 PolarHBondContact O-NH1 3.38Å; A283-F473 HydrophobicContact CB-CE2 4Å; A283-F473 HydrophobicContact CB-CZ 3.77Å
284	T	87.6	Confident	87.6	Confident	68 Å²	68	50 Å²	50	42%	0.417	26%	0.263	S	S	.	.			trans	-93.8	144.7	-171.2	74.1	0	0	0	0	112.8	S282 G286 E287 F346	S282-T284 PolarHBondContact O-N 2.67Å; T284-G286 PolarHBondContact O-N 2.89Å; T284-E287 WeakPolarHBondContact CA-OE2 3.4Å; T284-E287 WeakPolarHBondContact CB-OE2 3.3Å; T284-E287 PolarHBondContact N-OE2 2.9Å; T284-E287 VanDerWaalsContact OG1-CB 3.31Å; T284-E287 WeakPolarHBondContact OG1-CB 3.34Å; T284-E287 VanDerWaalsContact OG1-CD 3.24Å; T284-E287 VanDerWaalsContact OG1-CG 3.27Å; T284-E287 WeakPolarHBondContact OG1-CG 2.96Å; T284-E287 PolarHBondContact OG1-OE2 2.97Å; T284-F346 WeakPolarHBondContact O-CE1 3.11Å
285	Y	87.8	Confident	86.5	Confident	51 Å²	51	49.3 Å²	49.3	20%	0.2	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	115.4	-180	-175.7	-83.2	0	0	0	111.3	L252 R341 P344 F346 E348	L252-Y285 HydrophobicContact CD1-CE1 3.48Å; L252-Y285 VanDerWaalsContact CD1-CE1 3.48Å; L252-Y285 VanDerWaalsContact CD1-OH 3.26Å; L252-Y285 WeakPolarHBondContact CD1-OH 3.47Å; Y285-R341 PolarHBondContact O-NH1 2.76Å; Y285-P344 HydrophobicContact CD1-CB 4.46Å; Y285-P344 HydrophobicContact CD1-CG 4.46Å; Y285-P344 HydrophobicContact CD2-CB 4.42Å; Y285-P344 HydrophobicContact CE1-CB 3.76Å; Y285-P344 HydrophobicContact CE1-CG 3.55Å; Y285-P344 HydrophobicContact CE2-CB 3.77Å; Y285-P344 HydrophobicContact CE2-CG 4.41Å; Y285-P344 WeakPolarHBondContact OH-CB 3.44Å; Y285-P344 WeakPolarHBondContact OH-CG 3.3Å; Y285-F346 HydrophobicContact CD2-CE2 4.36Å; Y285-F346 WeakPolarHBondContact CE2-O 3.37Å; Y285-E348 WeakPolarHBondContact CB-OE1 3.39Å; Y285-E348 HydrophobicContact CD2-CG 3.93Å; Y285-E348 HydrophobicContact CG-CG 4.4Å
286	G	88.8	Confident	84.9	Confident	5 Å²	5	52.2 Å²	52.2	5%	0.052	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	27.7	-178.4	0	0	0	0	0	114.2	T284 C342	T284-G286 PolarHBondContact O-N 2.89Å; G286-C342 WeakPolarHBondContact O-CB 3.49Å; G286-C342 PolarHBondContact O-N 3.17Å
287	E	91.1	Very high	83.5	Confident	53 Å²	53	51.7 Å²	51.7	25%	0.248	29%	0.291	C	S	.	.			trans	-57	140.8	174	-149.9	159.9	139.2	0	0	112.4	R274 T284 C342	R274-E287 WeakPolarHBondContact CD-OE1 3.34Å; R274-E287 IonicContact CZ-OE1 2.69Å; R274-E287 IonicContact NE-OE1 3.56Å; R274-E287 IonicContact NH1-OE1 2.76Å; R274-E287 PolarHBondContact NH1-OE1 2.89Å; R274-E287 IonicContact NH1-OE2 3.25Å; T284-E287 WeakPolarHBondContact CA-OE2 3.4Å; T284-E287 WeakPolarHBondContact CB-OE2 3.3Å; T284-E287 PolarHBondContact N-OE2 2.9Å; T284-E287 VanDerWaalsContact OG1-CB 3.31Å; T284-E287 WeakPolarHBondContact OG1-CB 3.34Å; T284-E287 VanDerWaalsContact OG1-CD 3.24Å; T284-E287 VanDerWaalsContact OG1-CG 3.27Å; T284-E287 WeakPolarHBondContact OG1-CG 2.96Å; T284-E287 PolarHBondContact OG1-OE2 2.97Å; E287-C342 WeakPolarHBondContact O-CB 3.42Å
288	H	93.2	Very high	82.3	Confident	22 Å²	22	52.4 Å²	52.4	10%	0.102	29%	0.294	C	S	.	.			trans	-93.9	133.9	173	-67.5	-84.3	0	0	0	109.9	W290 C320 F340 C342	H288-W290 HydrophobicContact CB-CD2 4.25Å; H288-W290 VanDerWaalsContact CB-CE2 3.43Å; H288-W290 HydrophobicContact CB-CH2 4.23Å; H288-W290 HydrophobicContact CB-CZ2 3.42Å; H288-W290 VanDerWaalsContact CB-CZ2 3.42Å; H288-W290 AromaticContact CG-CZ2 3.74Å; H288-W290 VanDerWaalsContact O-CD1 3.29Å; H288-W290 PolarHBondContact O-NE1 2.88Å; H288-C320 HydrophobicContact CB-CB 4.39Å; H288-F340 PolarHBondContact NE2-O 3.49Å; H288-C342 HydrophobicContact CB-CB 4.47Å; H288-C342 PolarHBondContact CE1-N 3.12Å; H288-C342 WeakPolarHBondContact ND1-CB 3.27Å; H288-C342 PolarHBondContact ND1-SG 2.8Å; H288-C342 PolarHBondContact NE2-N 3.01Å
289	I	94.4	Very high	81.8	Confident	11 Å²	11	54.8 Å²	54.8	6%	0.056	30%	0.304	C	S	.	.			trans	-101	110.7	-178.4	-52	167	0	0	0	108.2	S275 V277 F291 C320 A321 A322 L507 P512	S275-I289 VanDerWaalsContact C-CG2 3.43Å; S275-I289 WeakPolarHBondContact O-CG2 3.44Å; V277-I289 HydrophobicContact CG2-CD1 3.66Å; I289-F291 HydrophobicContact CG2-CE2 3.91Å; I289-C320 CarbonylContact O-C 3.59Å; I289-C320 VanDerWaalsContact O-CA 3.24Å; I289-C320 WeakPolarHBondContact O-CA 3.43Å; I289-A321 PolarHBondContact O-N 2.81Å; I289-A322 HydrophobicContact CD1-CB 4.37Å; I289-L507 HydrophobicContact CD1-CD2 4.23Å; I289-L507 HydrophobicContact CG2-CD1 4.38Å; I289-P512 HydrophobicContact CD1-CB 3.57Å; I289-P512 HydrophobicContact CD1-CG 3.91Å
290	W	93.6	Very high	81.7	Confident	11 Å²	11	52.5 Å²	52.5	4%	0.042	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.6	-163.8	-65.1	108.8	0	0	0	114.1	I273 R274 S275 H288 R318 C320 I325 V327 I332 L335	I273-W290 HydrophobicContact CG2-CB 3.81Å; I273-W290 HydrophobicContact CG2-CG 3.81Å; R274-W290 PolarHBondContact O-N 2.74Å; S275-W290 VanDerWaalsContact CA-O 3.26Å; S275-W290 WeakPolarHBondContact CA-O 3.19Å; S275-W290 VanDerWaalsContact CB-O 3.24Å; S275-W290 WeakPolarHBondContact CB-O 3.35Å; H288-W290 HydrophobicContact CB-CD2 4.25Å; H288-W290 VanDerWaalsContact CB-CE2 3.43Å; H288-W290 HydrophobicContact CB-CH2 4.23Å; H288-W290 HydrophobicContact CB-CZ2 3.42Å; H288-W290 VanDerWaalsContact CB-CZ2 3.42Å; H288-W290 AromaticContact CG-CZ2 3.74Å; H288-W290 VanDerWaalsContact O-CD1 3.29Å; H288-W290 PolarHBondContact O-NE1 2.88Å; W290-R318 HydrophobicContact CB-CB 4.27Å; W290-R318 HydrophobicContact CD2-CB 4.38Å; W290-R318 HydrophobicContact CE3-CB 3.86Å; W290-C320 HydrophobicContact CE3-CB 3.96Å; W290-C320 HydrophobicContact CH2-CB 4.13Å; W290-C320 HydrophobicContact CZ3-CB 3.71Å; W290-I325 HydrophobicContact CH2-CD1 3.88Å; W290-I325 HydrophobicContact CH2-CG1 3.98Å; W290-I325 HydrophobicContact CZ3-CG1 4.22Å; W290-V327 HydrophobicContact CH2-CG2 3.51Å; W290-V327 HydrophobicContact CZ2-CG2 4.21Å; W290-V327 HydrophobicContact CZ3-CG2 3.69Å; W290-I332 HydrophobicContact CD2-CD1 4.27Å; W290-I332 HydrophobicContact CG-CD1 4.42Å; W290-I332 HydrophobicContact CZ2-CG1 4.18Å; W290-I332 HydrophobicContact CZ2-CG2 4.33Å; W290-L335 HydrophobicContact CH2-CD1 3.63Å; W290-L335 HydrophobicContact CZ2-CD1 3.63Å
291	F	91.5	Very high	81.6	Confident	36 Å²	36	52.5 Å²	52.5	16%	0.158	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	148.1	169.7	-68	-97.2	0	0	0	109.8	S275 I289 R318 K319 A321 Q504 L507	S275-F291 VanDerWaalsContact O-CZ 3.25Å; S275-F291 WeakPolarHBondContact O-CZ 3.45Å; I289-F291 HydrophobicContact CG2-CE2 3.91Å; F291-R318 CarbonylContact O-C 3.57Å; F291-R318 WeakPolarHBondContact O-CA 3.12Å; F291-R318 WeakPolarHBondContact O-CB 3.19Å; F291-K319 PolarHBondContact N-O 3.34Å; F291-K319 PolarHBondContact O-N 2.89Å; F291-A321 HydrophobicContact CD2-CB 3.74Å; F291-A321 HydrophobicContact CE2-CB 3.63Å; F291-Q504 HydrophobicContact CD1-CG 3.77Å; F291-Q504 HydrophobicContact CD2-CG 4Å; F291-Q504 HydrophobicContact CE1-CG 3.78Å; F291-Q504 HydrophobicContact CE2-CG 4.02Å; F291-Q504 HydrophobicContact CG-CG 3.88Å; F291-Q504 HydrophobicContact CZ-CG 3.91Å; F291-L507 HydrophobicContact CE2-CD1 3.96Å; F291-L507 HydrophobicContact CZ-CD1 4.16Å
292	E	89.3	Confident	81.6	Confident	128 Å²	128	49 Å²	49	60%	0.598	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	150.5	177.8	-53	-145.6	124.4	0	0	111.4	R318	E292-R318 HydrophobicContact CG-CG 4.48Å; E292-R318 IonicContact OE1-CZ 3.01Å; E292-R318 VanDerWaalsContact OE1-CZ 3.28Å; E292-R318 IonicContact OE1-NE 2.92Å; E292-R318 PolarHBondContact OE1-NE 2.98Å; E292-R318 VanDerWaalsContact OE1-NE 3.14Å; E292-R318 IonicContact OE1-NH2 2.67Å; E292-R318 PolarHBondContact OE1-NH2 2.92Å
293	T	84.6	Confident	81.1	Confident	25 Å²	25	46.8 Å²	46.8	15%	0.153	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	129.7	-172.5	-142	0	0	0	0	113.8	V295 R317 K319 V326	T293-V295 HydrophobicContact CG2-CG2 3.67Å; T293-R317 HydrophobicContact CG2-CB 3.9Å; T293-R317 PolarHBondContact N-O 2.88Å; T293-K319 HydrophobicContact CG2-CB 4.01Å; T293-V326 HydrophobicContact CG2-CG1 3.97Å
294	N	70.5	Confident	80.2	Confident	158 Å²	158	50.9 Å²	50.9	85%	0.845	28%	0.281	S	S	*	.			trans	-102	10.7	-177.1	-66.3	-11.2	0	0	0	113.2	S296	N294-S296 PolarHBondContact O-N 3.37Å
295	V	59	Low	79.3	Confident	59 Å²	59	55.7 Å²	55.7	36%	0.358	30%	0.298	S	S	.	.			trans	-63.6	102.4	-175.1	-92.7	0	0	0	0	113	T293 G297 D298	T293-V295 HydrophobicContact CG2-CG2 3.67Å; V295-G297 PolarHBondContact O-N 2.7Å; V295-D298 HydrophobicContact CB-CB 4.25Å; V295-D298 HydrophobicContact CG2-CB 3.83Å; V295-D298 WeakPolarHBondContact CG2-OD2 3.39Å; V295-D298 PolarHBondContact O-N 3.43Å
296	S	53.4	Low	78.5	Confident	117 Å²	117	59.4 Å²	59.4	82%	0.818	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	119.2	164.4	-63.8	0	0	0	0	110.3	N294	N294-S296 PolarHBondContact O-N 3.37Å
297	G	57.5	Low	78.1	Confident	39 Å²	39	60 Å²	60	40%	0.402	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.9	-10.2	178.5	0	0	0	0	0	116.2	V295 F299	V295-G297 PolarHBondContact O-N 2.7Å; G297-F299 PolarHBondContact O-N 3.17Å
298	D	66.1	Low	77.4	Confident	41 Å²	41	60.9 Å²	60.9	22%	0.219	33%	0.325	C	S	.	.			trans	-80.1	113.5	169.9	-100	-8.6	0	0	0	110.3	V295 K319 V326	V295-D298 HydrophobicContact CB-CB 4.25Å; V295-D298 HydrophobicContact CG2-CB 3.83Å; V295-D298 WeakPolarHBondContact CG2-OD2 3.39Å; V295-D298 PolarHBondContact O-N 3.43Å; D298-K319 IonicContact OD2-NZ 3.59Å; D298-K319 PolarHBondContact OD2-NZ 3.43Å; D298-V326 HydrophobicContact CB-CB 4.31Å; D298-V326 HydrophobicContact CB-CG1 4.31Å; D298-V326 HydrophobicContact CB-CG2 4.06Å; D298-V326 WeakPolarHBondContact OD2-CG2 3.45Å
299	F	77.9	Confident	76.3	Confident	72 Å²	72	60.1 Å²	60.1	32%	0.316	32%	0.323	S	S	.	.			trans	-77.1	146	-178.8	-68	-88.7	0	0	0	112.8	G297 Y301 R368 K390	G297-F299 PolarHBondContact O-N 3.17Å; F299-Y301 PolarHBondContact O-N 3.43Å; F299-R368 VanDerWaalsContact CB-CZ 3.48Å; F299-K390 HydrophobicContact CE1-CG 4.37Å; F299-K390 HydrophobicContact CZ-CG 4.39Å
300	C	85.6	Confident	74.9	Confident	11 Å²	11	67.6 Å²	67.6	7%	0.074	35%	0.35	C	S	.	.			trans	-61	123.8	172.6	-173.7	0	0	0	0	111.6	V302 G303 V326 H328	C300-V302 VanDerWaalsContact C-N 3.29Å; C300-V302 PolarHBondContact O-N 2.78Å; C300-G303 PolarHBondContact O-N 3.31Å; C300-G303 VanDerWaalsContact O-N 3.14Å; C300-V326 WeakPolarHBondContact CA-O 3.39Å; C300-H328 WeakPolarHBondContact CB-ND1 3.43Å
301	Y	86.1	Confident	73.1	Confident	47 Å²	47	74.5 Å²	74.5	18%	0.184	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-33.8	-173.3	-173.1	-100.8	0	0	0	113.5	F299 G303 I325 V326 L335 F340 V365 H366	F299-Y301 PolarHBondContact O-N 3.43Å; Y301-G303 PolarHBondContact O-N 2.87Å; Y301-G303 VanDerWaalsContact O-N 3.14Å; Y301-I325 HydrophobicContact CD1-CD1 4.32Å; Y301-I325 HydrophobicContact CD1-CG2 4.32Å; Y301-I325 HydrophobicContact CD2-CB 4.08Å; Y301-I325 HydrophobicContact CD2-CG2 3.66Å; Y301-I325 HydrophobicContact CE1-CG2 4.45Å; Y301-I325 HydrophobicContact CE2-CG2 3.82Å; Y301-I325 HydrophobicContact CG-CB 4.02Å; Y301-I325 HydrophobicContact CG-CD1 4.49Å; Y301-I325 HydrophobicContact CG-CG2 3.93Å; Y301-V326 WeakPolarHBondContact CB-O 3.43Å; Y301-V326 PolarHBondContact N-O 3.34Å; Y301-L335 HydrophobicContact CD1-CD2 4.04Å; Y301-F340 HydrophobicContact CD1-CD1 4.18Å; Y301-F340 HydrophobicContact CD1-CE1 4.29Å; Y301-F340 AromaticContact CE1-CD1 3.6Å; Y301-F340 HydrophobicContact CE1-CD1 3.6Å; Y301-F340 AromaticContact CE1-CD2 3.97Å; Y301-F340 HydrophobicContact CE1-CD2 3.97Å; Y301-F340 AromaticContact CE1-CE1 3.55Å; Y301-F340 HydrophobicContact CE1-CE1 3.55Å; Y301-F340 AromaticContact CE1-CE2 3.93Å; Y301-F340 HydrophobicContact CE1-CE2 3.93Å; Y301-F340 AromaticContact CE1-CG 3.82Å; Y301-F340 HydrophobicContact CE1-CG 3.82Å; Y301-F340 AromaticContact CE1-CZ 3.73Å; Y301-F340 HydrophobicContact CE1-CZ 3.73Å; Y301-F340 AromaticContact CZ-CE1 3.93Å; Y301-F340 AromaticContact CZ-CE2 3.96Å; Y301-F340 AromaticContact CZ-CZ 3.69Å; Y301-F340 VanDerWaalsContact OH-CE2 3.24Å; Y301-F340 WeakPolarHBondContact OH-CE2 3.2Å; Y301-F340 VanDerWaalsContact OH-CZ 3.23Å; Y301-F340 WeakPolarHBondContact OH-CZ 3.39Å; Y301-V365 HydrophobicContact CE2-CG1 3.91Å; Y301-H366 HydrophobicContact CE2-CB 4.23Å; Y301-H366 WeakPolarHBondContact CE2-O 3.45Å
302	V	82.3	Confident	71.6	Confident	11 Å²	11	78 Å²	78	7%	0.067	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-15.1	-179.8	-146.4	0	0	0	0	112.9	C300 V327 C331 Q334 L335 I338	C300-V302 VanDerWaalsContact C-N 3.29Å; C300-V302 PolarHBondContact O-N 2.78Å; V302-V327 HydrophobicContact CG2-CG1 3.84Å; V302-C331 HydrophobicContact CG2-CB 3.97Å; V302-Q334 HydrophobicContact CG1-CB 3.88Å; V302-Q334 HydrophobicContact CG2-CB 4.46Å; V302-L335 HydrophobicContact CG2-CD2 3.91Å; V302-L335 HydrophobicContact CG2-CG 4.27Å; V302-I338 HydrophobicContact CG1-CD1 4.03Å
303	G	74.8	Confident	69.9	Low	18 Å²	18	81.6 Å²	81.6	19%	0.186	42%	0.418	C	S	.	.			trans	77.8	169.2	174.4	0	0	0	0	0	114.8	C300 Y301 Q305 Y306 C307	C300-G303 PolarHBondContact O-N 3.31Å; C300-G303 VanDerWaalsContact O-N 3.14Å; Y301-G303 PolarHBondContact O-N 2.87Å; Y301-G303 VanDerWaalsContact O-N 3.14Å; G303-Q305 PolarHBondContact O-N 2.84Å; G303-Q305 VanDerWaalsContact O-N 3.13Å; G303-Y306 PolarHBondContact O-N 2.88Å; G303-C307 WeakPolarHBondContact O-CB 3.34Å; G303-C307 PolarHBondContact O-N 2.97Å
304	E	69.4	Low	68.9	Low	85 Å²	85	86.5 Å²	86.5	40%	0.397	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-8.5	-165.8	-53.6	-171.7	161.7	0	0	114.5	R310 K390	E304-R310 PolarHBondContact O-NH1 2.95Å; E304-K390 VanDerWaalsContact OE1-CD 3.29Å; E304-K390 WeakPolarHBondContact OE1-CD 3.37Å; E304-K390 WeakPolarHBondContact OE1-CE 3.44Å; E304-K390 IonicContact OE1-NZ 3.87Å; E304-K390 PolarHBondContact OE1-NZ 3.36Å; E304-K390 IonicContact OE2-NZ 3.6Å; E304-K390 PolarHBondContact OE2-NZ 2.84Å
305	Q	68.1	Low	69.1	Low	169 Å²	169	80.3 Å²	80.3	79%	0.79	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-28.3	176.2	-66.8	177.4	-11.9	0	0	113	G303	G303-Q305 PolarHBondContact O-N 2.84Å; G303-Q305 VanDerWaalsContact O-N 3.13Å
306	Y	72.4	Confident	70.3	Confident	129 Å²	129	80.7 Å²	80.7	51%	0.506	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-4	-173.5	-58.2	-72	0	0	0	113.5	G303 V308	G303-Y306 PolarHBondContact O-N 2.88Å; Y306-V308 PolarHBondContact O-N 3.49Å; Y306-V308 VanDerWaalsContact O-N 3.12Å
307	C	80	Confident	71.9	Confident	18 Å²	18	79.3 Å²	79.3	12%	0.122	40%	0.403	C	S	.	.			trans	-73.3	97	176.9	-177.9	0	0	0	0	111.3	G303 A309 R310 H328	G303-C307 WeakPolarHBondContact O-CB 3.34Å; G303-C307 PolarHBondContact O-N 2.97Å; C307-A309 PolarHBondContact O-N 2.89Å; C307-R310 WeakPolarHBondContact O-CB 3.41Å; C307-R310 PolarHBondContact O-N 3.4Å; C307-R310 VanDerWaalsContact O-N 3.14Å; C307-H328 PolarHBondContact SG-ND1 2.9Å; C307-H328 VanDerWaalsContact SG-ND1 3.39Å
308	V	76.1	Confident	73.5	Confident	72 Å²	72	79.7 Å²	79.7	44%	0.436	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-60.3	-26.9	177.3	-66.3	0	0	0	0	113.3	Y306 R310 P330 Q334	Y306-V308 PolarHBondContact O-N 3.49Å; Y306-V308 VanDerWaalsContact O-N 3.12Å; V308-R310 PolarHBondContact O-N 2.97Å; V308-P330 HydrophobicContact CG2-CB 3.99Å; V308-P330 HydrophobicContact CG2-CG 4.31Å; V308-P330 VanDerWaalsContact CG2-O 3.32Å; V308-P330 WeakPolarHBondContact CG2-O 3.39Å; V308-Q334 HydrophobicContact CG1-CG 4.3Å
309	A	70.9	Confident	74.8	Confident	6 Å²	6	80 Å²	80	5%	0.05	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-69.5	1.4	176.6	0	0	0	0	0	114.4	C307 M311 L312 V315 H328 P330	C307-A309 PolarHBondContact O-N 2.89Å; A309-M311 PolarHBondContact O-N 2.74Å; A309-L312 PolarHBondContact O-N 2.85Å; A309-V315 HydrophobicContact CB-CB 4.09Å; A309-V315 HydrophobicContact CB-CG1 4.19Å; A309-V315 HydrophobicContact CB-CG2 3.94Å; A309-H328 HydrophobicContact CB-CB 3.84Å; A309-P330 HydrophobicContact CB-CG 4.49Å
310	R	63.3	Low	75.5	Confident	168 Å²	168	76.6 Å²	76.6	63%	0.634	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-63.6	-22.1	-177.9	-158.6	177.2	90.9	-169.8	8.5	114.2	E304 C307 V308	E304-R310 PolarHBondContact O-NH1 2.95Å; C307-R310 WeakPolarHBondContact O-CB 3.41Å; C307-R310 PolarHBondContact O-N 3.4Å; C307-R310 VanDerWaalsContact O-N 3.14Å; V308-R310 PolarHBondContact O-N 2.97Å
311	M	56	Low	75.9	Confident	156 Å²	156	76.1 Å²	76.1	77%	0.768	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-101.3	1.1	179.1	-54.4	-50.8	-166.7	0	0	113.9	A309	A309-M311 PolarHBondContact O-N 2.74Å
312	L	60.7	Low	76.4	Confident	110 Å²	110	74 Å²	74	58%	0.576	37%	0.366	S	S	*	.	S	Bend	trans	-116.1	123.9	-174.6	-66.4	172.7	0	0	0	110.3	A309 V315	A309-L312 PolarHBondContact O-N 2.85Å; L312-V315 HydrophobicContact CB-CG2 3.37Å; L312-V315 HydrophobicContact CD1-CG2 4.08Å; L312-V315 HydrophobicContact CG-CG2 4.38Å
313	K	54.1	Low	76.9	Confident	203 Å²	203	73.4 Å²	73.4	88%	0.883	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	143.1	172.6	-69.1	-178	178.5	178.3	0	109.7	V315	K313-V315 PolarHBondContact O-N 2.77Å
314	S	63	Low	77.7	Confident	128 Å²	128	75.1 Å²	75.1	90%	0.895	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	45.6	171.5	54	0	0	0	0	117.2
315	V	74.2	Confident	78.8	Confident	27 Å²	27	71.2 Å²	71.2	16%	0.164	35%	0.347	C	S	.	.			trans	-72.7	136.3	170.8	-175.7	0	0	0	0	111.5	A309 L312 K313 H328 P330	A309-V315 HydrophobicContact CB-CB 4.09Å; A309-V315 HydrophobicContact CB-CG1 4.19Å; A309-V315 HydrophobicContact CB-CG2 3.94Å; L312-V315 HydrophobicContact CB-CG2 3.37Å; L312-V315 HydrophobicContact CD1-CG2 4.08Å; L312-V315 HydrophobicContact CG-CG2 4.38Å; K313-V315 PolarHBondContact O-N 2.77Å; V315-H328 HydrophobicContact CG1-CB 4.06Å; V315-P330 HydrophobicContact CG1-CG 3.85Å
316	S	84.7	Confident	79.8	Confident	68 Å²	68	63.5 Å²	63.5	48%	0.476	31%	0.311	S	S	.	.			trans	-60.3	149.2	177.3	60.7	0	0	0	0	112.9	H328 T329	S316-H328 VanDerWaalsContact O-CA 3.32Å; S316-H328 WeakPolarHBondContact O-CA 3.1Å; S316-T329 PolarHBondContact O-N 3.47Å; S316-T329 PolarHBondContact O-OG1 3.32Å; S316-T329 PolarHBondContact OG-OG1 2.9Å
317	R	87.4	Confident	80.7	Confident	87 Å²	87	57.4 Å²	57.4	33%	0.328	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	146.3	-179.7	-64.8	-178	-175	89.2	1.6	111	T293 V326 V327 H328	T293-R317 HydrophobicContact CG2-CB 3.9Å; T293-R317 PolarHBondContact N-O 2.88Å; R317-V326 HydrophobicContact CB-CG1 4.11Å; R317-V327 CarbonylContact C-O 3.59Å; R317-V327 VanDerWaalsContact CA-O 3.31Å; R317-V327 WeakPolarHBondContact CA-O 3.49Å; R317-H328 PolarHBondContact NE-NE2 2.88Å
318	R	90.8	Very high	81.1	Confident	47 Å²	47	57.6 Å²	57.6	18%	0.177	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141	173.6	-65.4	-169.8	167.1	-156	-0.4	110.8	I273 W290 F291 E292 V326 V327	I273-R318 VanDerWaalsContact CG2-NH1 3.28Å; I273-R318 PolarHBondContact O-NH1 2.99Å; W290-R318 HydrophobicContact CB-CB 4.27Å; W290-R318 HydrophobicContact CD2-CB 4.38Å; W290-R318 HydrophobicContact CE3-CB 3.86Å; F291-R318 CarbonylContact O-C 3.57Å; F291-R318 WeakPolarHBondContact O-CA 3.12Å; F291-R318 WeakPolarHBondContact O-CB 3.19Å; E292-R318 HydrophobicContact CG-CG 4.48Å; E292-R318 IonicContact OE1-CZ 3.01Å; E292-R318 VanDerWaalsContact OE1-CZ 3.28Å; E292-R318 IonicContact OE1-NE 2.92Å; E292-R318 PolarHBondContact OE1-NE 2.98Å; E292-R318 VanDerWaalsContact OE1-NE 3.14Å; E292-R318 IonicContact OE1-NH2 2.67Å; E292-R318 PolarHBondContact OE1-NH2 2.92Å; R318-V326 WeakPolarHBondContact O-CA 3.32Å; R318-V327 PolarHBondContact N-O 2.73Å; R318-V327 PolarHBondContact O-N 3.27Å
319	K	92.6	Very high	81.7	Confident	49 Å²	49	55.7 Å²	55.7	21%	0.213	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	128.3	-179.3	-164.9	151.8	-170.2	158.9	0	108.5	F291 T293 D298 A321 I325 V326	F291-K319 PolarHBondContact N-O 3.34Å; F291-K319 PolarHBondContact O-N 2.89Å; T293-K319 HydrophobicContact CG2-CB 4.01Å; D298-K319 IonicContact OD2-NZ 3.59Å; D298-K319 PolarHBondContact OD2-NZ 3.43Å; K319-A321 PolarHBondContact O-N 3.16Å; K319-I325 CarbonylContact C-O 3.59Å; K319-I325 WeakPolarHBondContact CA-O 3.42Å; K319-V326 HydrophobicContact CB-CG2 4.04Å; K319-V326 HydrophobicContact CD-CG2 3.63Å; K319-V326 HydrophobicContact CG-CG2 3.66Å
320	C	94.1	Very high	82.5	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	121.5	176.8	179.9	0	0	0	0	109.5	H288 I289 W290 A322 K324 I325	H288-C320 HydrophobicContact CB-CB 4.39Å; I289-C320 CarbonylContact O-C 3.59Å; I289-C320 VanDerWaalsContact O-CA 3.24Å; I289-C320 WeakPolarHBondContact O-CA 3.43Å; W290-C320 HydrophobicContact CE3-CB 3.96Å; W290-C320 HydrophobicContact CH2-CB 4.13Å; W290-C320 HydrophobicContact CZ3-CB 3.71Å; C320-A322 VanDerWaalsContact C-N 3.31Å; C320-A322 PolarHBondContact O-N 3.4Å; C320-K324 WeakPolarHBondContact O-CA 3.29Å; C320-K324 PolarHBondContact O-N 3.01Å; C320-I325 HydrophobicContact CB-CG1 3.94Å; C320-I325 PolarHBondContact N-O 3.42Å
321	A	94.1	Very high	83.7	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.008	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-37.2	-180	0	0	0	0	0	112.3	I289 F291 K319 K324 Q504 L507 W508	I289-A321 PolarHBondContact O-N 2.81Å; F291-A321 HydrophobicContact CD2-CB 3.74Å; F291-A321 HydrophobicContact CE2-CB 3.63Å; K319-A321 PolarHBondContact O-N 3.16Å; A321-K324 WeakPolarHBondContact O-CE 3.37Å; A321-Q504 HydrophobicContact CB-CB 4.32Å; A321-L507 HydrophobicContact CB-CB 3.87Å; A321-L507 HydrophobicContact CB-CD1 3.78Å; A321-L507 HydrophobicContact CB-CG 4.5Å; A321-W508 WeakPolarHBondContact O-CA 3.45Å; A321-W508 WeakPolarHBondContact O-CB 3.45Å
322	A	94.7	Very high	85.2	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.008	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-31	-172.8	0	0	0	0	0	115	I289 C320 K343 P512	I289-A322 HydrophobicContact CD1-CB 4.37Å; C320-A322 VanDerWaalsContact C-N 3.31Å; C320-A322 PolarHBondContact O-N 3.4Å; A322-K343 HydrophobicContact CB-CG 4.22Å; A322-K343 WeakPolarHBondContact O-CD 3.48Å; A322-K343 WeakPolarHBondContact O-CE 3.43Å; A322-P512 HydrophobicContact CB-CG 3.93Å
323	C	93.3	Very high	86.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124	-5.3	178.7	67.4	0	0	0	0	114.8	I325 V365 R367	C323-I325 VanDerWaalsContact C-N 3.27Å; C323-I325 PolarHBondContact O-N 3.03Å; C323-V365 HydrophobicContact CB-CG2 4.38Å; C323-R367 PolarHBondContact O-NH1 3.08Å; C323-R367 PolarHBondContact O-NH2 3.41Å
324	K	91.8	Very high	87.9	Confident	53 Å²	53	36 Å²	36	23%	0.23	19%	0.193	C	C	.	.			trans	56.7	30.7	179.1	-57.7	-75.8	176.4	174.3	0	114.4	C320 A321 R367 Q504 W508	C320-K324 WeakPolarHBondContact O-CA 3.29Å; C320-K324 PolarHBondContact O-N 3.01Å; A321-K324 WeakPolarHBondContact O-CE 3.37Å; K324-R367 PolarHBondContact O-NH1 3.08Å; K324-R367 VanDerWaalsContact O-NH1 3.12Å; K324-Q504 WeakPolarHBondContact CE-O 3.04Å; K324-Q504 PolarHBondContact NZ-O 3.35Å; K324-W508 HydrophobicContact CB-CE3 4.41Å; K324-W508 HydrophobicContact CB-CZ3 4.49Å; K324-W508 HydrophobicContact CG-CB 4.48Å; K324-W508 HydrophobicContact CG-CD2 3.81Å; K324-W508 HydrophobicContact CG-CE3 3.67Å; K324-W508 HydrophobicContact CG-CG 4.19Å; K324-W508 HydrophobicContact CG-CZ3 4.22Å
325	I	91.7	Very high	89	Confident	3 Å²	3	30.1 Å²	30.1	2%	0.015	15%	0.151	C	C	.	.			trans	-76.5	156	162	70.5	177.2	0	0	0	110.2	W290 Y301 K319 C320 C323 L335 F340 V365	W290-I325 HydrophobicContact CH2-CD1 3.88Å; W290-I325 HydrophobicContact CH2-CG1 3.98Å; W290-I325 HydrophobicContact CZ3-CG1 4.22Å; Y301-I325 HydrophobicContact CD1-CD1 4.32Å; Y301-I325 HydrophobicContact CD1-CG2 4.32Å; Y301-I325 HydrophobicContact CD2-CB 4.08Å; Y301-I325 HydrophobicContact CD2-CG2 3.66Å; Y301-I325 HydrophobicContact CE1-CG2 4.45Å; Y301-I325 HydrophobicContact CE2-CG2 3.82Å; Y301-I325 HydrophobicContact CG-CB 4.02Å; Y301-I325 HydrophobicContact CG-CD1 4.49Å; Y301-I325 HydrophobicContact CG-CG2 3.93Å; K319-I325 CarbonylContact C-O 3.59Å; K319-I325 WeakPolarHBondContact CA-O 3.42Å; C320-I325 HydrophobicContact CB-CG1 3.94Å; C320-I325 PolarHBondContact N-O 3.42Å; C323-I325 VanDerWaalsContact C-N 3.27Å; C323-I325 PolarHBondContact O-N 3.03Å; I325-L335 HydrophobicContact CD1-CD1 3.87Å; I325-L335 HydrophobicContact CD1-CD2 4.33Å; I325-F340 HydrophobicContact CD1-CD1 4.19Å; I325-F340 HydrophobicContact CD1-CE1 4.03Å; I325-F340 HydrophobicContact CG2-CE1 4.22Å; I325-V365 HydrophobicContact CG2-CG1 3.65Å
326	V	90.9	Very high	89.2	Confident	8 Å²	8	34.3 Å²	34.3	5%	0.048	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	136.7	171.5	179.7	0	0	0	0	109	T293 D298 C300 Y301 R317 R318 K319	T293-V326 HydrophobicContact CG2-CG1 3.97Å; D298-V326 HydrophobicContact CB-CB 4.31Å; D298-V326 HydrophobicContact CB-CG1 4.31Å; D298-V326 HydrophobicContact CB-CG2 4.06Å; D298-V326 WeakPolarHBondContact OD2-CG2 3.45Å; C300-V326 WeakPolarHBondContact CA-O 3.39Å; Y301-V326 WeakPolarHBondContact CB-O 3.43Å; Y301-V326 PolarHBondContact N-O 3.34Å; R317-V326 HydrophobicContact CB-CG1 4.11Å; R318-V326 WeakPolarHBondContact O-CA 3.32Å; K319-V326 HydrophobicContact CB-CG2 4.04Å; K319-V326 HydrophobicContact CD-CG2 3.63Å; K319-V326 HydrophobicContact CG-CG2 3.66Å
327	V	89.9	Confident	89.1	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	159.4	171.4	-65.2	0	0	0	0	110.5	W290 V302 R317 R318 C331 I332 L335	W290-V327 HydrophobicContact CH2-CG2 3.51Å; W290-V327 HydrophobicContact CZ2-CG2 4.21Å; W290-V327 HydrophobicContact CZ3-CG2 3.69Å; V302-V327 HydrophobicContact CG2-CG1 3.84Å; R317-V327 CarbonylContact C-O 3.59Å; R317-V327 VanDerWaalsContact CA-O 3.31Å; R317-V327 WeakPolarHBondContact CA-O 3.49Å; R318-V327 PolarHBondContact N-O 2.73Å; R318-V327 PolarHBondContact O-N 3.27Å; V327-C331 HydrophobicContact CB-CB 4.28Å; V327-I332 HydrophobicContact CG2-CG1 3.62Å; V327-L335 HydrophobicContact CG1-CD1 3.94Å; V327-L335 HydrophobicContact CG1-CD2 4.18Å; V327-L335 HydrophobicContact CG1-CG 4.25Å; V327-L335 HydrophobicContact CG2-CD1 4.24Å
328	H	88.6	Confident	88.9	Confident	22 Å²	22	35.9 Å²	35.9	10%	0.102	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	149.3	162.7	-58.7	104.7	0	0	0	110.1	C300 C307 A309 V315 S316 R317 C331	C300-H328 WeakPolarHBondContact CB-ND1 3.43Å; C307-H328 PolarHBondContact SG-ND1 2.9Å; C307-H328 VanDerWaalsContact SG-ND1 3.39Å; A309-H328 HydrophobicContact CB-CB 3.84Å; V315-H328 HydrophobicContact CG1-CB 4.06Å; S316-H328 VanDerWaalsContact O-CA 3.32Å; S316-H328 WeakPolarHBondContact O-CA 3.1Å; R317-H328 PolarHBondContact NE-NE2 2.88Å; H328-C331 HydrophobicContact CB-CB 4.24Å; H328-C331 WeakPolarHBondContact O-CA 3.32Å; H328-C331 VanDerWaalsContact O-CB 3.3Å; H328-C331 WeakPolarHBondContact O-CB 3.3Å; H328-C331 PolarHBondContact O-N 2.86Å
329	T	88.8	Confident	88.6	Confident	32 Å²	32	35.8 Å²	35.8	20%	0.196	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-49.9	-52.7	179.6	-52	0	0	0	0	113.6	I273 S316 C331 I332	I273-T329 HydrophobicContact CD1-CG2 3.65Å; S316-T329 PolarHBondContact O-N 3.47Å; S316-T329 PolarHBondContact O-OG1 3.32Å; S316-T329 PolarHBondContact OG-OG1 2.9Å; T329-C331 PolarHBondContact O-N 3.16Å; T329-C331 VanDerWaalsContact O-N 3.12Å; T329-I332 WeakPolarHBondContact O-CB 3.47Å; T329-I332 WeakPolarHBondContact O-CG1 3.27Å; T329-I332 PolarHBondContact O-N 3.2Å; T329-I332 VanDerWaalsContact O-N 3.17Å
330	P	88	Confident	88.4	Confident	53 Å²	53	33.9 Å²	33.9	34%	0.344	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-71.3	-2.8	175.9	30.5	-38.2	0	0	0	114.6	V308 A309 V315	V308-P330 HydrophobicContact CG2-CB 3.99Å; V308-P330 HydrophobicContact CG2-CG 4.31Å; V308-P330 VanDerWaalsContact CG2-O 3.32Å; V308-P330 WeakPolarHBondContact CG2-O 3.39Å; A309-P330 HydrophobicContact CB-CG 4.49Å; V315-P330 HydrophobicContact CG1-CG 3.85Å
331	C	88	Confident	88.2	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-93.5	-0.8	173.3	-63.9	0	0	0	0	112.9	V302 V327 H328 T329 Q334 L335	V302-C331 HydrophobicContact CG2-CB 3.97Å; V327-C331 HydrophobicContact CB-CB 4.28Å; H328-C331 HydrophobicContact CB-CB 4.24Å; H328-C331 WeakPolarHBondContact O-CA 3.32Å; H328-C331 VanDerWaalsContact O-CB 3.3Å; H328-C331 WeakPolarHBondContact O-CB 3.3Å; H328-C331 PolarHBondContact O-N 2.86Å; T329-C331 PolarHBondContact O-N 3.16Å; T329-C331 VanDerWaalsContact O-N 3.12Å; C331-Q334 WeakPolarHBondContact O-CB 3.42Å; C331-Q334 PolarHBondContact O-N 2.88Å; C331-L335 PolarHBondContact O-N 3.23Å
332	I	88.9	Confident	88.2	Confident	25 Å²	25	39.3 Å²	39.3	13%	0.128	19%	0.187	C	C	.	.	H	α-helix	trans	-64.7	-45.3	177	-67.1	170.7	0	0	0	110.6	I273 W290 V327 T329 Q334 L335	I273-I332 HydrophobicContact CD1-CD1 3.97Å; I273-I332 HydrophobicContact CG1-CD1 4.37Å; I273-I332 HydrophobicContact CG2-CD1 3.84Å; W290-I332 HydrophobicContact CD2-CD1 4.27Å; W290-I332 HydrophobicContact CG-CD1 4.42Å; W290-I332 HydrophobicContact CZ2-CG1 4.18Å; W290-I332 HydrophobicContact CZ2-CG2 4.33Å; V327-I332 HydrophobicContact CG2-CG1 3.62Å; T329-I332 WeakPolarHBondContact O-CB 3.47Å; T329-I332 WeakPolarHBondContact O-CG1 3.27Å; T329-I332 PolarHBondContact O-N 3.2Å; T329-I332 VanDerWaalsContact O-N 3.17Å; I332-Q334 PolarHBondContact O-N 3.44Å; I332-L335 VanDerWaalsContact O-CB 3.28Å; I332-L335 WeakPolarHBondContact O-CB 3.18Å; I332-L335 PolarHBondContact O-N 3.18Å
333	E	85.6	Confident	88.1	Confident	115 Å²	115	39.4 Å²	39.4	54%	0.537	19%	0.187	S	C	.	.	H	α-helix	trans	-58.3	-32.6	173.5	-64.5	179.2	-160.9	0	0	113.4	L335 E336 K337	E333-L335 PolarHBondContact O-N 2.85Å; E333-E336 WeakPolarHBondContact O-CB 3.42Å; E333-E336 PolarHBondContact O-N 3.14Å; E333-K337 WeakPolarHBondContact O-CG 3.28Å; E333-K337 PolarHBondContact O-N 2.87Å; E333-K337 IonicContact OE2-NZ 3.58Å; E333-K337 PolarHBondContact OE2-NZ 3.4Å
334	Q	86	Confident	88	Confident	38 Å²	38	40.7 Å²	40.7	18%	0.178	20%	0.195	C	C	.	.	H	α-helix	trans	-68.8	-22.7	-179.8	-59.7	-68.2	-6.7	0	0	111.2	V302 V308 C331 I332 K337 I338	V302-Q334 HydrophobicContact CG1-CB 3.88Å; V302-Q334 HydrophobicContact CG2-CB 4.46Å; V308-Q334 HydrophobicContact CG1-CG 4.3Å; C331-Q334 WeakPolarHBondContact O-CB 3.42Å; C331-Q334 PolarHBondContact O-N 2.88Å; I332-Q334 PolarHBondContact O-N 3.44Å; Q334-K337 PolarHBondContact O-N 3.33Å; Q334-K337 VanDerWaalsContact OE1-CD 3.31Å; Q334-I338 WeakPolarHBondContact O-CG1 3.41Å; Q334-I338 PolarHBondContact O-N 2.74Å; Q334-I338 VanDerWaalsContact O-N 3.1Å
335	L	85.1	Confident	88.1	Confident	3 Å²	3	39 Å²	39	2%	0.016	19%	0.19	C	C	.	.	H	α-helix	trans	-67.3	-38.2	168.3	-62.5	172.4	0	0	0	112	W290 Y301 V302 I325 V327 C331 I332 E333 I338 N339 F340	W290-L335 HydrophobicContact CH2-CD1 3.63Å; W290-L335 HydrophobicContact CZ2-CD1 3.63Å; Y301-L335 HydrophobicContact CD1-CD2 4.04Å; V302-L335 HydrophobicContact CG2-CD2 3.91Å; V302-L335 HydrophobicContact CG2-CG 4.27Å; I325-L335 HydrophobicContact CD1-CD1 3.87Å; I325-L335 HydrophobicContact CD1-CD2 4.33Å; V327-L335 HydrophobicContact CG1-CD1 3.94Å; V327-L335 HydrophobicContact CG1-CD2 4.18Å; V327-L335 HydrophobicContact CG1-CG 4.25Å; V327-L335 HydrophobicContact CG2-CD1 4.24Å; C331-L335 PolarHBondContact O-N 3.23Å; I332-L335 VanDerWaalsContact O-CB 3.28Å; I332-L335 WeakPolarHBondContact O-CB 3.18Å; I332-L335 PolarHBondContact O-N 3.18Å; E333-L335 PolarHBondContact O-N 2.85Å; L335-I338 HydrophobicContact CD2-CD1 4.42Å; L335-I338 WeakPolarHBondContact O-CG1 3.25Å; L335-I338 PolarHBondContact O-N 2.76Å; L335-N339 PolarHBondContact O-N 3.16Å; L335-F340 HydrophobicContact CD2-CB 4.4Å; L335-F340 HydrophobicContact CD2-CD1 4.35Å; L335-F340 PolarHBondContact O-N 3.12Å
336	E	78.6	Confident	88.1	Confident	116 Å²	116	38.9 Å²	38.9	54%	0.542	19%	0.19	S	C	.	.	H	α-helix	trans	-66.5	-42.5	173.3	-64.4	-166.7	-149.3	0	0	111	R271 E333 I338 N339	R271-E336 IonicContact CZ-OE2 3.16Å; R271-E336 IonicContact NH1-OE1 3.57Å; R271-E336 PolarHBondContact NH1-OE1 2.81Å; R271-E336 IonicContact NH1-OE2 2.64Å; R271-E336 PolarHBondContact NH1-OE2 2.81Å; E333-E336 WeakPolarHBondContact O-CB 3.42Å; E333-E336 PolarHBondContact O-N 3.14Å; E336-I338 VanDerWaalsContact C-N 3.27Å; E336-I338 PolarHBondContact O-N 2.81Å; E336-N339 WeakPolarHBondContact O-CA 3.36Å; E336-N339 PolarHBondContact O-N 2.89Å
337	K	83.3	Confident	88	Confident	133 Å²	133	40.9 Å²	40.9	58%	0.578	20%	0.196	S	C	*	.	H	α-helix	trans	-63	-29	178.4	-69.3	157.9	179	162.6	0	112.9	E333 Q334	E333-K337 WeakPolarHBondContact O-CG 3.28Å; E333-K337 PolarHBondContact O-N 2.87Å; E333-K337 IonicContact OE2-NZ 3.58Å; E333-K337 PolarHBondContact OE2-NZ 3.4Å; Q334-K337 PolarHBondContact O-N 3.33Å; Q334-K337 VanDerWaalsContact OE1-CD 3.31Å
338	I	82.3	Confident	87.5	Confident	54 Å²	54	44.5 Å²	44.5	28%	0.277	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	3.1	168.9	71.4	174.9	0	0	0	113.9	T248 V302 Q334 L335 E336 F340	T248-I338 WeakPolarHBondContact CG2-O 3.09Å; V302-I338 HydrophobicContact CG1-CD1 4.03Å; Q334-I338 WeakPolarHBondContact O-CG1 3.41Å; Q334-I338 PolarHBondContact O-N 2.74Å; Q334-I338 VanDerWaalsContact O-N 3.1Å; L335-I338 HydrophobicContact CD2-CD1 4.42Å; L335-I338 WeakPolarHBondContact O-CG1 3.25Å; L335-I338 PolarHBondContact O-N 2.76Å; E336-I338 VanDerWaalsContact C-N 3.27Å; E336-I338 PolarHBondContact O-N 2.81Å; I338-F340 VanDerWaalsContact C-N 3.27Å; I338-F340 HydrophobicContact CD1-CB 4.02Å; I338-F340 HydrophobicContact CG1-CB 3.91Å; I338-F340 PolarHBondContact O-N 2.94Å
339	N	83.9	Confident	86.4	Confident	45 Å²	45	45.5 Å²	45.5	24%	0.241	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	37.1	-174.6	-167.2	31.2	0	0	0	114.5	L335 E336 R341	L335-N339 PolarHBondContact O-N 3.16Å; E336-N339 WeakPolarHBondContact O-CA 3.36Å; E336-N339 PolarHBondContact O-N 2.89Å; N339-R341 PolarHBondContact O-N 3.2Å; N339-R341 PolarHBondContact OD1-NE 3.03Å
340	F	88.9	Confident	85	Confident	9 Å²	9	46.6 Å²	46.6	4%	0.039	24%	0.24	C	C	.	.			trans	-86.2	92.6	174.9	-171.9	-94.8	0	0	0	111	H288 Y301 I325 L335 I338 H363 V365	H288-F340 PolarHBondContact NE2-O 3.49Å; Y301-F340 HydrophobicContact CD1-CD1 4.18Å; Y301-F340 HydrophobicContact CD1-CE1 4.29Å; Y301-F340 AromaticContact CE1-CD1 3.6Å; Y301-F340 HydrophobicContact CE1-CD1 3.6Å; Y301-F340 AromaticContact CE1-CD2 3.97Å; Y301-F340 HydrophobicContact CE1-CD2 3.97Å; Y301-F340 AromaticContact CE1-CE1 3.55Å; Y301-F340 HydrophobicContact CE1-CE1 3.55Å; Y301-F340 AromaticContact CE1-CE2 3.93Å; Y301-F340 HydrophobicContact CE1-CE2 3.93Å; Y301-F340 AromaticContact CE1-CG 3.82Å; Y301-F340 HydrophobicContact CE1-CG 3.82Å; Y301-F340 AromaticContact CE1-CZ 3.73Å; Y301-F340 HydrophobicContact CE1-CZ 3.73Å; Y301-F340 AromaticContact CZ-CE1 3.93Å; Y301-F340 AromaticContact CZ-CE2 3.96Å; Y301-F340 AromaticContact CZ-CZ 3.69Å; Y301-F340 VanDerWaalsContact OH-CE2 3.24Å; Y301-F340 WeakPolarHBondContact OH-CE2 3.2Å; Y301-F340 VanDerWaalsContact OH-CZ 3.23Å; Y301-F340 WeakPolarHBondContact OH-CZ 3.39Å; I325-F340 HydrophobicContact CD1-CD1 4.19Å; I325-F340 HydrophobicContact CD1-CE1 4.03Å; I325-F340 HydrophobicContact CG2-CE1 4.22Å; L335-F340 HydrophobicContact CD2-CB 4.4Å; L335-F340 HydrophobicContact CD2-CD1 4.35Å; L335-F340 PolarHBondContact O-N 3.12Å; I338-F340 VanDerWaalsContact C-N 3.27Å; I338-F340 HydrophobicContact CD1-CB 4.02Å; I338-F340 HydrophobicContact CG1-CB 3.91Å; I338-F340 PolarHBondContact O-N 2.94Å; F340-H363 AromaticContact CZ-CE1 3.8Å; F340-V365 HydrophobicContact CZ-CG1 4.48Å; F340-V365 HydrophobicContact CZ-CG2 4.28Å
341	R	90.8	Very high	83	Confident	112 Å²	112	48.3 Å²	48.3	42%	0.423	25%	0.254	S	S	.	.			trans	-86.1	158.4	178.4	-60.8	-177.1	-178	-134.7	4.2	112.4	Y285 N339 H363	Y285-R341 PolarHBondContact O-NH1 2.76Å; N339-R341 PolarHBondContact O-N 3.2Å; N339-R341 PolarHBondContact OD1-NE 3.03Å; R341-H363 PolarHBondContact O-CE1 3.42Å
342	C	93.6	Very high	81.2	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.02	30%	0.297	C	S	.	.			trans	-76	178.8	177.1	-150.3	0	0	0	0	113	G286 E287 H288 P344	G286-C342 WeakPolarHBondContact O-CB 3.49Å; G286-C342 PolarHBondContact O-N 3.17Å; E287-C342 WeakPolarHBondContact O-CB 3.42Å; H288-C342 HydrophobicContact CB-CB 4.47Å; H288-C342 PolarHBondContact CE1-N 3.12Å; H288-C342 WeakPolarHBondContact ND1-CB 3.27Å; H288-C342 PolarHBondContact ND1-SG 2.8Å; H288-C342 PolarHBondContact NE2-N 3.01Å; C342-P344 WeakPolarHBondContact O-CD 3.3Å
343	K	92.6	Very high	78.7	Confident	3 Å²	3	66.1 Å²	66.1	1%	0.013	33%	0.331	C	S	.	.			trans	-60.4	121.7	169.8	62.3	175.2	-174.1	177.2	0	109.4	A322 S345 H363 W399 L507 W508 L510	A322-K343 HydrophobicContact CB-CG 4.22Å; A322-K343 WeakPolarHBondContact O-CD 3.48Å; A322-K343 WeakPolarHBondContact O-CE 3.43Å; K343-S345 PolarHBondContact O-N 3.23Å; K343-H363 HydrophobicContact CB-CB 4.02Å; K343-H363 PolarHBondContact N-CD2 2.91Å; K343-H363 VanDerWaalsContact N-CD2 3.33Å; K343-H363 PolarHBondContact N-NE2 2.75Å; K343-W399 HydrophobicContact CB-CZ2 4.17Å; K343-W399 HydrophobicContact CD-CD2 4.15Å; K343-W399 HydrophobicContact CD-CE3 4.26Å; K343-W399 HydrophobicContact CD-CH2 4.2Å; K343-W399 HydrophobicContact CD-CZ2 4.06Å; K343-W399 HydrophobicContact CD-CZ3 4.29Å; K343-W399 HydrophobicContact CG-CZ2 4.29Å; K343-L507 WeakPolarHBondContact CE-O 3.24Å; K343-L507 PolarHBondContact NZ-O 2.96Å; K343-W508 PolarHBondContact NZ-O 3.49Å; K343-L510 PolarHBondContact NZ-O 2.98Å
344	P	91.6	Very high	76.9	Confident	27 Å²	27	66.3 Å²	66.3	18%	0.175	34%	0.34	C	S	.	.			trans	-67.8	127.3	-176.6	-22.2	33.9	0	0	0	111.8	Y285 C342 W399 P432	Y285-P344 HydrophobicContact CD1-CB 4.46Å; Y285-P344 HydrophobicContact CD1-CG 4.46Å; Y285-P344 HydrophobicContact CD2-CB 4.42Å; Y285-P344 HydrophobicContact CE1-CB 3.76Å; Y285-P344 HydrophobicContact CE1-CG 3.55Å; Y285-P344 HydrophobicContact CE2-CB 3.77Å; Y285-P344 HydrophobicContact CE2-CG 4.41Å; Y285-P344 WeakPolarHBondContact OH-CB 3.44Å; Y285-P344 WeakPolarHBondContact OH-CG 3.3Å; C342-P344 WeakPolarHBondContact O-CD 3.3Å; P344-W399 WeakPolarHBondContact O-CZ2 3.27Å; P344-P432 WeakPolarHBondContact O-CB 3.29Å; P344-P432 WeakPolarHBondContact O-CG 3.46Å
345	S	93.4	Very high	75.1	Confident	17 Å²	17	74.7 Å²	74.7	12%	0.119	37%	0.37	C	S	.	.			trans	-87.6	-10	-179.6	55.1	0	0	0	0	114.5	K343 N511 R513	K343-S345 PolarHBondContact O-N 3.23Å; S345-N511 WeakPolarHBondContact CA-OD1 3.26Å; S345-N511 WeakPolarHBondContact CB-OD1 3.48Å; S345-N511 PolarHBondContact O-ND2 2.89Å; S345-N511 PolarHBondContact O-OD1 2.85Å; S345-R513 PolarHBondContact OG-NE 2.77Å
346	F	92.4	Very high	73.7	Confident	1 Å²	1	79.2 Å²	79.2	0%	0.004	39%	0.391	C	S	.	.	S	Bend	trans	-151.7	173.1	-177.1	66.2	-82.7	0	0	0	111.5	T284 Y285 E348 P432 I435 R437 F473	T284-F346 WeakPolarHBondContact O-CE1 3.11Å; Y285-F346 HydrophobicContact CD2-CE2 4.36Å; Y285-F346 WeakPolarHBondContact CE2-O 3.37Å; F346-E348 HydrophobicContact CE2-CG 4.01Å; F346-P432 CarbonylContact C-O 3.52Å; F346-I435 CarbonylContact C-O 3.59Å; F346-I435 WeakPolarHBondContact CA-O 3.32Å; F346-I435 HydrophobicContact CB-CB 4.09Å; F346-I435 HydrophobicContact CB-CG2 3.81Å; F346-I435 WeakPolarHBondContact CB-O 3.09Å; F346-R437 HydrophobicContact CD2-CB 3.75Å; F346-R437 HydrophobicContact CE2-CB 3.79Å; F346-R437 HydrophobicContact CE2-CG 4.39Å; F346-F473 HydrophobicContact CB-CE1 3.96Å; F346-F473 HydrophobicContact CD1-CE1 4.14Å; F346-F473 AromaticContact CD2-CE1 3.75Å; F346-F473 HydrophobicContact CD2-CE1 3.75Å; F346-F473 HydrophobicContact CD2-CZ 4.43Å; F346-F473 HydrophobicContact CE2-CE1 4.23Å; F346-F473 AromaticContact CG-CE1 3.7Å; F346-F473 HydrophobicContact CG-CE1 3.7Å; F346-F473 HydrophobicContact CG-CZ 4.44Å
347	R	87.4	Confident	72.6	Confident	51 Å²	51	76 Å²	76	19%	0.192	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	141.1	164.7	-78.2	-171.6	177.8	131.1	1.5	111.8	P357 T358 P432 T433 I435 L436 R437	R347-P357 PolarHBondContact NH2-O 3.5Å; R347-T358 VanDerWaalsContact NH2-CA 3.34Å; R347-T358 PolarHBondContact NH2-O 2.89Å; R347-P432 PolarHBondContact N-O 3.25Å; R347-T433 VanDerWaalsContact CZ-CB 3.44Å; R347-T433 VanDerWaalsContact NH1-CB 3.26Å; R347-T433 PolarHBondContact NH1-O 2.96Å; R347-T433 VanDerWaalsContact NH2-CG2 3.3Å; R347-I435 PolarHBondContact N-O 2.96Å; R347-L436 HydrophobicContact CB-CD2 3.96Å; R347-R437 PolarHBondContact O-N 3.44Å
348	E	79.9	Confident	72.1	Confident	75 Å²	75	75.4 Å²	75.4	35%	0.35	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	145.5	167	-63.5	-169.1	158.9	0	0	110.8	Y285 F346 G350 R437	Y285-E348 WeakPolarHBondContact CB-OE1 3.39Å; Y285-E348 HydrophobicContact CD2-CG 3.93Å; Y285-E348 HydrophobicContact CG-CG 4.4Å; F346-E348 HydrophobicContact CE2-CG 4.01Å; E348-G350 PolarHBondContact O-N 3.14Å; E348-R437 IonicContact OE1-NH1 3.8Å
349	S	66	Low	72.1	Confident	43 Å²	43	76.9 Å²	76.9	30%	0.301	39%	0.392	S	S	.	.			trans	-75.7	95.8	171.1	-71	0	0	0	0	110.3	R437 R439	S349-R437 VanDerWaalsContact CB-O 3.3Å; S349-R437 WeakPolarHBondContact CB-O 3.42Å; S349-R437 PolarHBondContact N-O 3.04Å; S349-R437 PolarHBondContact OG-O 3.25Å; S349-R439 PolarHBondContact O-NE 2.98Å; S349-R439 PolarHBondContact O-NH2 2.96Å
350	G	58.3	Low	72.3	Confident	55 Å²	55	75.4 Å²	75.4	57%	0.567	39%	0.385	S	S	*	.			trans	-58.2	131.6	176.1	0	0	0	0	0	113.3	E348 R352	E348-G350 PolarHBondContact O-N 3.14Å; G350-R352 PolarHBondContact O-N 2.78Å
351	S	46.3	Very low	72.4	Confident	90 Å²	90	80.7 Å²	80.7	63%	0.629	41%	0.405	S	S	*	.			trans	-82	98.4	178.9	46.4	0	0	0	0	111.3	N353	S351-N353 PolarHBondContact O-N 2.92Å
352	R	49.9	Very low	72.4	Confident	241 Å²	241	76.4 Å²	76.4	91%	0.909	39%	0.389	S	S	*	.	S	Bend	trans	43.4	66.6	169.2	-69.9	-176.3	170.4	-179.5	-2.4	115	G350	G350-R352 PolarHBondContact O-N 2.78Å
353	N	37.8	Very low	72.4	Confident	157 Å²	157	77.2 Å²	77.2	84%	0.84	39%	0.393	S	S	*	.			trans	-158.7	157.4	149.1	-106	-32.4	0	0	0	115.5	S351	S351-N353 PolarHBondContact O-N 2.92Å
354	V	47.2	Very low	72.4	Confident	119 Å²	119	77.2 Å²	77.2	72%	0.721	39%	0.393	S	S	*	.	S	Bend	trans	-51.6	138.4	-169.3	179.1	0	0	0	0	116.5
355	R	48	Very low	72.5	Confident	215 Å²	215	76 Å²	76	81%	0.811	38%	0.384	S	S	*	.			trans	53.8	71.8	161.6	-73.2	178.6	164.9	178.6	-6.4	117.3
356	E	54.7	Low	72.3	Confident	98 Å²	98	76.2 Å²	76.2	46%	0.458	38%	0.384	S	S	.	.			trans	-73.2	143	145.2	-72.3	-166.7	161.8	0	0	110.5	L255	L255-E356 HydrophobicContact CD1-CG 4.33Å
357	P	56.2	Low	72.1	Confident	47 Å²	47	77.4 Å²	77.4	31%	0.305	39%	0.388	S	S	.	.			trans	-68.4	132	178.7	26.8	-33.2	0	0	0	111.3	R347 F359	R347-P357 PolarHBondContact NH2-O 3.5Å; P357-F359 VanDerWaalsContact C-N 3.27Å; P357-F359 HydrophobicContact CB-CD1 3.76Å; P357-F359 HydrophobicContact CB-CD2 4.38Å; P357-F359 HydrophobicContact CB-CE1 3.43Å; P357-F359 VanDerWaalsContact CB-CE1 3.43Å; P357-F359 HydrophobicContact CB-CE2 4.12Å; P357-F359 HydrophobicContact CB-CG 4.24Å; P357-F359 HydrophobicContact CB-CZ 3.63Å; P357-F359 HydrophobicContact CG-CZ 4.5Å; P357-F359 PolarHBondContact O-N 3.01Å
358	T	72.8	Confident	71.8	Confident	121 Å²	121	77.9 Å²	77.9	74%	0.742	39%	0.39	S	S	*	.	S	Bend	trans	-69.1	-22.9	179.6	44.6	0	0	0	0	113.6	R347 T433	R347-T358 VanDerWaalsContact NH2-CA 3.34Å; R347-T358 PolarHBondContact NH2-O 2.89Å; T358-T433 WeakPolarHBondContact O-CG2 3.3Å
359	F	82.2	Confident	71.9	Confident	85 Å²	85	81.3 Å²	81.3	37%	0.373	40%	0.4	S	S	.	.	S	Bend	trans	-80.6	169.2	179.3	57.9	-94.8	0	0	0	114.4	P357 R361 P419	P357-F359 VanDerWaalsContact C-N 3.27Å; P357-F359 HydrophobicContact CB-CD1 3.76Å; P357-F359 HydrophobicContact CB-CD2 4.38Å; P357-F359 HydrophobicContact CB-CE1 3.43Å; P357-F359 VanDerWaalsContact CB-CE1 3.43Å; P357-F359 HydrophobicContact CB-CE2 4.12Å; P357-F359 HydrophobicContact CB-CG 4.24Å; P357-F359 HydrophobicContact CB-CZ 3.63Å; P357-F359 HydrophobicContact CG-CZ 4.5Å; P357-F359 PolarHBondContact O-N 3.01Å; F359-R361 HydrophobicContact CD2-CG 4.35Å; F359-R361 HydrophobicContact CE2-CG 3.99Å; F359-P419 HydrophobicContact CB-CB 3.93Å; F359-P419 HydrophobicContact CD2-CB 3.63Å; F359-P419 HydrophobicContact CE2-CB 4.2Å; F359-P419 HydrophobicContact CG-CB 3.84Å
360	V	89	Confident	72.8	Confident	15 Å²	15	81 Å²	81	9%	0.091	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-89.3	140.6	170.1	-179.1	0	0	0	0	109.3	W399 C420 L422 P431 P432 T433	V360-W399 HydrophobicContact CG1-CG 4.41Å; V360-C420 HydrophobicContact CB-CB 4.38Å; V360-C420 HydrophobicContact CG1-CB 4.18Å; V360-C420 PolarHBondContact O-N 2.94Å; V360-L422 HydrophobicContact CB-CD2 4.32Å; V360-L422 HydrophobicContact CG1-CD2 3.98Å; V360-L422 HydrophobicContact CG2-CD2 4.18Å; V360-P431 HydrophobicContact CG2-CB 3.94Å; V360-P432 HydrophobicContact CG1-CG 4.44Å; V360-P432 HydrophobicContact CG2-CG 4.24Å; V360-T433 HydrophobicContact CG2-CG2 3.55Å
361	R	89.4	Confident	74.1	Confident	120 Å²	120	83.6 Å²	83.6	45%	0.453	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-95.5	153.9	171.7	-72.8	-176.2	175.2	-174	-3.7	111.8	F359	F359-R361 HydrophobicContact CD2-CG 4.35Å; F359-R361 HydrophobicContact CE2-CG 3.99Å
362	H	92.3	Very high	76	Confident	21 Å²	21	81.9 Å²	81.9	10%	0.097	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-62.9	139.2	173	-76.3	-117.7	0	0	0	110.9	W364 C397 C400 C420	H362-W364 HydrophobicContact CB-CD2 4.08Å; H362-W364 HydrophobicContact CB-CG 4.3Å; H362-W364 HydrophobicContact CB-CZ2 3.86Å; H362-W364 AromaticContact CE1-CH2 3.73Å; H362-W364 AromaticContact CE1-CZ2 3.6Å; H362-W364 AromaticContact CG-CE2 3.76Å; H362-W364 AromaticContact CG-CZ2 3.53Å; H362-W364 AromaticContact CG-NE1 3.99Å; H362-W364 AromaticContact ND1-CE2 3.58Å; H362-W364 AromaticContact ND1-CH2 3.19Å; H362-W364 WeakPolarHBondContact ND1-CH2 3.45Å; H362-W364 AromaticContact ND1-CZ2 2.96Å; H362-W364 WeakPolarHBondContact ND1-CZ2 3.39Å; H362-C397 PolarHBondContact ND1-SG 2.87Å; H362-C397 VanDerWaalsContact ND1-SG 3.44Å; H362-C400 PolarHBondContact CE1-SG 3.01Å; H362-C420 VanDerWaalsContact CD2-CA 3.42Å; H362-C420 WeakPolarHBondContact CD2-CA 3.2Å; H362-C420 WeakPolarHBondContact CD2-CB 3.47Å; H362-C420 WeakPolarHBondContact NE2-CA 3.39Å
363	H	93.7	Very high	77.9	Confident	20 Å²	20	76.9 Å²	76.9	9%	0.093	38%	0.376	C	S	.	.			trans	-104.7	86.2	166.4	179.4	48	0	0	0	108.6	F340 R341 K343 C397 S398	F340-H363 AromaticContact CZ-CE1 3.8Å; R341-H363 PolarHBondContact O-CE1 3.42Å; K343-H363 HydrophobicContact CB-CB 4.02Å; K343-H363 PolarHBondContact N-CD2 2.91Å; K343-H363 VanDerWaalsContact N-CD2 3.33Å; K343-H363 PolarHBondContact N-NE2 2.75Å; H363-C397 WeakPolarHBondContact O-CA 3.36Å; H363-S398 PolarHBondContact CD2-OG 2.84Å; H363-S398 PolarHBondContact O-N 2.93Å
364	W	92.9	Very high	80.4	Confident	4 Å²	4	69.5 Å²	69.5	2%	0.015	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	129.5	179.1	-64.1	120.7	0	0	0	111.2	I247 H362 I395 S396 C397 Y404 F411 Q415	I247-W364 HydrophobicContact CD1-CB 4.46Å; I247-W364 HydrophobicContact CG1-CB 4.29Å; I247-W364 HydrophobicContact CG2-CB 3.89Å; I247-W364 WeakPolarHBondContact CG2-O 3.47Å; H362-W364 HydrophobicContact CB-CD2 4.08Å; H362-W364 HydrophobicContact CB-CG 4.3Å; H362-W364 HydrophobicContact CB-CZ2 3.86Å; H362-W364 AromaticContact CE1-CH2 3.73Å; H362-W364 AromaticContact CE1-CZ2 3.6Å; H362-W364 AromaticContact CG-CE2 3.76Å; H362-W364 AromaticContact CG-CZ2 3.53Å; H362-W364 AromaticContact CG-NE1 3.99Å; H362-W364 AromaticContact ND1-CE2 3.58Å; H362-W364 AromaticContact ND1-CH2 3.19Å; H362-W364 WeakPolarHBondContact ND1-CH2 3.45Å; H362-W364 AromaticContact ND1-CZ2 2.96Å; H362-W364 WeakPolarHBondContact ND1-CZ2 3.39Å; W364-I395 HydrophobicContact CB-CG2 4.12Å; W364-I395 HydrophobicContact CD2-CG2 4.36Å; W364-I395 HydrophobicContact CE3-CG2 4.02Å; W364-I395 HydrophobicContact CG-CG2 4.44Å; W364-S396 CarbonylContact C-O 3.6Å; W364-S396 WeakPolarHBondContact CA-O 3.39Å; W364-C397 HydrophobicContact CE3-CB 3.82Å; W364-C397 HydrophobicContact CH2-CB 4.06Å; W364-C397 HydrophobicContact CZ3-CB 3.57Å; W364-Y404 HydrophobicContact CH2-CD2 4.01Å; W364-Y404 AromaticContact CH2-CE2 3.65Å; W364-Y404 HydrophobicContact CH2-CE2 3.65Å; W364-Y404 AromaticContact CZ3-CD2 3.99Å; W364-Y404 HydrophobicContact CZ3-CD2 3.99Å; W364-Y404 HydrophobicContact CZ3-CE2 4.04Å; W364-F411 AromaticContact CD1-CZ 3.98Å; W364-F411 AromaticContact CD2-CE2 3.78Å; W364-F411 HydrophobicContact CD2-CE2 3.78Å; W364-F411 AromaticContact CD2-CZ 3.92Å; W364-F411 HydrophobicContact CD2-CZ 3.92Å; W364-F411 AromaticContact CE2-CE2 3.66Å; W364-F411 AromaticContact CE2-CZ 3.84Å; W364-F411 AromaticContact CE3-CE2 3.98Å; W364-F411 HydrophobicContact CE3-CE2 3.98Å; W364-F411 HydrophobicContact CG-CE2 4.38Å; W364-F411 HydrophobicContact CG-CZ 4.04Å; W364-F411 HydrophobicContact CH2-CE2 4.08Å; W364-F411 AromaticContact CZ2-CE2 3.82Å; W364-F411 HydrophobicContact CZ2-CE2 3.82Å; W364-F411 HydrophobicContact CZ2-CZ 4.41Å; W364-F411 HydrophobicContact CZ3-CE2 4.13Å; W364-F411 AromaticContact NE1-CZ 3.85Å; W364-Q415 HydrophobicContact CZ2-CB 4.34Å; W364-Q415 WeakPolarHBondContact CZ2-O 3.32Å; W364-Q415 PolarHBondContact NE1-O 3.04Å
365	V	92.1	Very high	82.4	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131.4	-178.5	-175.3	0	0	0	0	109.2	Y301 C323 I325 F340 S396 S398	Y301-V365 HydrophobicContact CE2-CG1 3.91Å; C323-V365 HydrophobicContact CB-CG2 4.38Å; I325-V365 HydrophobicContact CG2-CG1 3.65Å; F340-V365 HydrophobicContact CZ-CG1 4.48Å; F340-V365 HydrophobicContact CZ-CG2 4.28Å; V365-S396 PolarHBondContact N-O 2.9Å; V365-S396 PolarHBondContact O-N 2.7Å; V365-S396 PolarHBondContact O-OG 3.07Å; V365-S398 VanDerWaalsContact CG2-OG 3.23Å; V365-S398 WeakPolarHBondContact CG2-OG 3.44Å
366	H	89.6	Confident	84.4	Confident	22 Å²	22	66.7 Å²	66.7	10%	0.102	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	136	176.1	-73.5	-173.3	0	0	0	111.5	I247 Y301 I392	I247-H366 VanDerWaalsContact CD1-NE2 3.29Å; I247-H366 WeakPolarHBondContact CD1-NE2 3.4Å; Y301-H366 HydrophobicContact CE2-CB 4.23Å; Y301-H366 WeakPolarHBondContact CE2-O 3.45Å; H366-I392 HydrophobicContact CB-CD1 4.12Å; H366-I392 HydrophobicContact CB-CG1 4.32Å; H366-I392 HydrophobicContact CB-CG2 3.85Å
367	R	87.3	Confident	86.1	Confident	26 Å²	26	64.4 Å²	64.4	10%	0.098	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.2	-174.4	-64.5	-71.6	-178.8	-146	-15.1	111	C323 K324 R369 Q370 I392 V393 A394 S396	C323-R367 PolarHBondContact O-NH1 3.08Å; C323-R367 PolarHBondContact O-NH2 3.41Å; K324-R367 PolarHBondContact O-NH1 3.08Å; K324-R367 VanDerWaalsContact O-NH1 3.12Å; R367-R369 WeakPolarHBondContact CB-O 3.26Å; R367-Q370 HydrophobicContact CB-CB 4.05Å; R367-Q370 HydrophobicContact CG-CB 4.45Å; R367-I392 CarbonylContact O-C 3.57Å; R367-V393 PolarHBondContact O-N 3.22Å; R367-A394 HydrophobicContact CB-CB 4.18Å; R367-A394 PolarHBondContact N-O 2.85Å; R367-A394 PolarHBondContact O-N 2.75Å; R367-A394 VanDerWaalsContact O-N 3.16Å; R367-S396 VanDerWaalsContact CG-OG 3.25Å; R367-S396 WeakPolarHBondContact CG-OG 3.19Å; R367-S396 PolarHBondContact NE-OG 2.92Å; R367-S396 PolarHBondContact NH2-OG 3.36Å
368	R	82.4	Confident	87.6	Confident	61 Å²	61	64.4 Å²	64.4	23%	0.23	32%	0.32	C	S	.	.	S	Bend	trans	-89.4	-24.3	169.1	-53.1	-167.6	-164.4	-167.6	4.1	112.5	F299 K390 E391 V393	F299-R368 VanDerWaalsContact CB-CZ 3.48Å; R368-K390 PolarHBondContact NH1-O 3.49Å; R368-E391 WeakPolarHBondContact CG-O 3.29Å; R368-V393 WeakPolarHBondContact O-CG2 3.27Å
369	R	81.4	Confident	88.4	Confident	148 Å²	148	66.2 Å²	66.2	56%	0.558	32%	0.318	S	S	*	.	S	Bend	trans	-128	134.3	168	-60.5	-177.6	-176.3	-168.8	1.8	107.8	R367	R367-R369 WeakPolarHBondContact CB-O 3.26Å
370	Q	86.2	Confident	88.7	Confident	35 Å²	35	64 Å²	64	16%	0.164	32%	0.319	C	S	.	.			trans	-154.9	133	-179.5	173.3	61.4	62.6	0	0	108.1	R367 F381 A394 A403	R367-Q370 HydrophobicContact CB-CB 4.05Å; R367-Q370 HydrophobicContact CG-CB 4.45Å; Q370-F381 HydrophobicContact CB-CD2 4.19Å; Q370-F381 HydrophobicContact CB-CG 4.16Å; Q370-F381 HydrophobicContact CG-CD1 4.35Å; Q370-F381 HydrophobicContact CG-CD2 3.6Å; Q370-F381 HydrophobicContact CG-CE1 4.34Å; Q370-F381 HydrophobicContact CG-CE2 3.59Å; Q370-F381 HydrophobicContact CG-CG 4.01Å; Q370-F381 HydrophobicContact CG-CZ 3.98Å; Q370-F381 VanDerWaalsContact O-CB 3.27Å; Q370-F381 WeakPolarHBondContact O-CB 3.37Å; Q370-A394 HydrophobicContact CB-CB 3.64Å; Q370-A394 HydrophobicContact CG-CB 3.76Å; Q370-A403 HydrophobicContact CG-CB 3.88Å
371	D	84.4	Confident	88.5	Confident	110 Å²	110	64.1 Å²	64.1	59%	0.588	32%	0.318	S	S	*	.			trans	-100.2	163.2	-176.8	-47.1	-64.2	0	0	0	111.3	Q383	D371-Q383 PolarHBondContact OD1-NE2 2.99Å; D371-Q383 VanDerWaalsContact OD1-NE2 3.14Å
372	G	86.8	Confident	87.6	Confident	55 Å²	55	65.6 Å²	65.6	57%	0.567	33%	0.33	S	S	*	.	S	Bend	trans	83.3	-154.9	-178.4	0	0	0	0	0	114.6	F381	G372-F381 VanDerWaalsContact O-CD2 3.3Å; G372-F381 WeakPolarHBondContact O-CD2 3.44Å
373	K	89.2	Confident	86.2	Confident	136 Å²	136	70.2 Å²	70.2	59%	0.591	35%	0.352	S	S	*	.	B	Isolated β-bridge	trans	-115.4	144.5	-170.5	-67	177.8	-176.9	176.5	0	111.2	R375 G378	K373-R375 PolarHBondContact O-N 2.95Å; K373-G378 WeakPolarHBondContact CB-O 3.46Å; K373-G378 WeakPolarHBondContact CG-O 3.39Å
374	C	89.9	Confident	84.2	Confident	2 Å²	2	75.4 Å²	75.4	1%	0.014	37%	0.374	C	S	.	.			trans	-69	125.1	176.4	172.9	0	0	0	0	111	H376 C377 G378 K379 F381 A403 H405	C374-H376 PolarHBondContact O-N 3.03Å; C374-C377 PolarHBondContact O-N 3.46Å; C374-G378 WeakPolarHBondContact O-CA 3.19Å; C374-G378 PolarHBondContact O-N 3.23Å; C374-K379 WeakPolarHBondContact CB-O 3.27Å; C374-K379 PolarHBondContact N-O 2.72Å; C374-F381 HydrophobicContact CB-CE1 4.21Å; C374-F381 HydrophobicContact CB-CZ 4Å; C374-A403 WeakPolarHBondContact CA-O 3.43Å; C374-H405 WeakPolarHBondContact CB-CE1 3.45Å; C374-H405 WeakPolarHBondContact CB-ND1 3.37Å; C374-H405 PolarHBondContact SG-N 3.33Å; C374-H405 VanDerWaalsContact SG-N 3.4Å; C374-H405 PolarHBondContact SG-ND1 3.09Å; C374-H405 VanDerWaalsContact SG-ND1 3.38Å
375	R	90	Very high	82	Confident	175 Å²	175	84.1 Å²	84.1	66%	0.66	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-26.8	-173.8	177.6	58	-177.6	135.3	-7.9	114	K373 A403 Y404	K373-R375 PolarHBondContact O-N 2.95Å; R375-A403 PolarHBondContact N-O 2.96Å; R375-Y404 HydrophobicContact CB-CD1 4.28Å; R375-Y404 HydrophobicContact CB-CE1 3.74Å; R375-Y404 HydrophobicContact CB-CE2 4.24Å; R375-Y404 HydrophobicContact CG-CE1 4.07Å; R375-Y404 WeakPolarHBondContact CG-OH 3.3Å
376	H	90.3	Very high	79.8	Confident	100 Å²	100	88 Å²	88	46%	0.463	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-45.9	179.2	-175.3	-104.1	0	0	0	113.5	C374 Y404 S409 C410	C374-H376 PolarHBondContact O-N 3.03Å; H376-Y404 HydrophobicContact CB-CD1 3.8Å; H376-Y404 HydrophobicContact CB-CE1 3.95Å; H376-S409 PolarHBondContact CE1-O 2.96Å; H376-S409 VanDerWaalsContact CE1-O 3.26Å; H376-S409 PolarHBondContact ND1-O 3.01Å; H376-S409 VanDerWaalsContact ND1-O 3.11Å; H376-C410 HydrophobicContact CB-CB 4.48Å; H376-C410 WeakPolarHBondContact CB-O 3.43Å
377	C	89.5	Confident	77.8	Confident	50 Å²	50	94.9 Å²	94.9	34%	0.338	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	3.5	-169.5	70.6	0	0	0	0	114.9	C374 K379 H405	C374-C377 PolarHBondContact O-N 3.46Å; C377-K379 PolarHBondContact O-N 3.48Å; C377-H405 PolarHBondContact SG-CE1 3Å; C377-H405 PolarHBondContact SG-ND1 3.12Å; C377-H405 VanDerWaalsContact SG-ND1 3.35Å
378	G	88.9	Confident	76	Confident	47 Å²	47	101.4 Å²	101.4	49%	0.485	50%	0.498	S	S	.	.			trans	69.8	-20.9	178.5	0	0	0	0	0	115.8	K373 C374	K373-G378 WeakPolarHBondContact CB-O 3.46Å; K373-G378 WeakPolarHBondContact CG-O 3.39Å; C374-G378 WeakPolarHBondContact O-CA 3.19Å; C374-G378 PolarHBondContact O-N 3.23Å
379	K	89.1	Confident	74.8	Confident	159 Å²	159	100.5 Å²	100.5	69%	0.691	50%	0.501	S	S	*	.			trans	-70.2	143.3	-177.3	-62.7	-176.8	-178.4	-170.9	0	111.4	C374 C377 H405	C374-K379 WeakPolarHBondContact CB-O 3.27Å; C374-K379 PolarHBondContact N-O 2.72Å; C377-K379 PolarHBondContact O-N 3.48Å; K379-H405 PolarHBondContact O-CE1 3.16Å
380	G	87.4	Confident	74	Confident	39 Å²	39	98.9 Å²	98.9	40%	0.402	50%	0.497	S	S	.	.	B	Isolated β-bridge	trans	-61.1	163.9	175.3	0	0	0	0	0	113.2	Q382 H405	G380-Q382 PolarHBondContact O-N 3.33Å; G380-H405 PolarHBondContact O-NE2 2.76Å
381	F	84.8	Confident	73.5	Confident	17 Å²	17	103.4 Å²	103.4	8%	0.075	52%	0.519	C	S	.	.			trans	-79.7	113.4	168.2	-60.9	-75.4	0	0	0	108.9	Q370 G372 C374 Q383 A394 A403 H405	Q370-F381 HydrophobicContact CB-CD2 4.19Å; Q370-F381 HydrophobicContact CB-CG 4.16Å; Q370-F381 HydrophobicContact CG-CD1 4.35Å; Q370-F381 HydrophobicContact CG-CD2 3.6Å; Q370-F381 HydrophobicContact CG-CE1 4.34Å; Q370-F381 HydrophobicContact CG-CE2 3.59Å; Q370-F381 HydrophobicContact CG-CG 4.01Å; Q370-F381 HydrophobicContact CG-CZ 3.98Å; Q370-F381 VanDerWaalsContact O-CB 3.27Å; Q370-F381 WeakPolarHBondContact O-CB 3.37Å; G372-F381 VanDerWaalsContact O-CD2 3.3Å; G372-F381 WeakPolarHBondContact O-CD2 3.44Å; C374-F381 HydrophobicContact CB-CE1 4.21Å; C374-F381 HydrophobicContact CB-CZ 4Å; F381-Q383 PolarHBondContact O-N 3.26Å; F381-A394 HydrophobicContact CD1-CB 3.58Å; F381-A394 HydrophobicContact CE1-CB 3.41Å; F381-A394 VanDerWaalsContact CE1-CB 3.41Å; F381-A394 HydrophobicContact CG-CB 4.42Å; F381-A394 HydrophobicContact CZ-CB 4.15Å; F381-A403 HydrophobicContact CE2-CB 3.88Å; F381-A403 HydrophobicContact CZ-CB 3.56Å; F381-H405 AromaticContact CD1-CD2 3.45Å; F381-H405 VanDerWaalsContact CD1-CD2 3.45Å; F381-H405 WeakPolarHBondContact CD1-CD2 3.45Å; F381-H405 AromaticContact CD1-NE2 3.76Å; F381-H405 AromaticContact CE1-CD2 3.67Å
382	Q	70.6	Confident	73.4	Confident	151 Å²	151	100.7 Å²	100.7	71%	0.706	50%	0.504	S	S	*	.			trans	-64.7	99.1	179.3	-74.8	-178	-38.7	0	0	110.4	G380 K384	G380-Q382 PolarHBondContact O-N 3.33Å; Q382-K384 PolarHBondContact O-N 3.21Å
383	Q	62.8	Low	73.3	Confident	118 Å²	118	99.9 Å²	99.9	55%	0.551	49%	0.488	S	S	*	.			trans	-70.6	83.8	164.8	-60.1	-166.2	15	0	0	108.2	D371 F381 F385	D371-Q383 PolarHBondContact OD1-NE2 2.99Å; D371-Q383 VanDerWaalsContact OD1-NE2 3.14Å; F381-Q383 PolarHBondContact O-N 3.26Å; Q383-F385 PolarHBondContact O-N 3.25Å; Q383-F385 VanDerWaalsContact O-N 3.14Å
384	K	51.9	Low	73.4	Confident	129 Å²	129	93.4 Å²	93.4	56%	0.561	46%	0.46	S	S	*	.			trans	-61.5	117.1	170.2	-70.7	-177.7	176.7	178.1	0	107.8	Q382 T386	Q382-K384 PolarHBondContact O-N 3.21Å; K384-T386 WeakPolarHBondContact CB-OG1 3.44Å; K384-T386 PolarHBondContact O-N 3.26Å; K384-T386 PolarHBondContact O-OG1 3.45Å
385	F	46.8	Very low	73.5	Confident	186 Å²	186	93.3 Å²	93.3	82%	0.816	46%	0.459	S	S	*	.	S	Bend	trans	-60	2.9	-179.4	-70.8	-79.6	0	0	0	115.3	Q383 F387	Q383-F385 PolarHBondContact O-N 3.25Å; Q383-F385 VanDerWaalsContact O-N 3.14Å; F385-F387 WeakPolarHBondContact O-CD2 3.31Å; F385-F387 PolarHBondContact O-N 2.94Å
386	T	46.2	Very low	73.7	Confident	82 Å²	82	85.1 Å²	85.1	50%	0.503	43%	0.428	S	S	.	.			trans	-57.9	92.6	159.2	46.3	0	0	0	0	111.4	K384 H388 S389	K384-T386 WeakPolarHBondContact CB-OG1 3.44Å; K384-T386 PolarHBondContact O-N 3.26Å; K384-T386 PolarHBondContact O-OG1 3.45Å; T386-H388 PolarHBondContact O-N 3.11Å; T386-S389 PolarHBondContact O-N 3Å; T386-S389 PolarHBondContact O-OG 3.12Å
387	F	47.6	Very low	73.8	Confident	167 Å²	167	80.4 Å²	80.4	73%	0.732	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-15.4	173.9	-71.9	-94.4	0	0	0	115.1	F385	F385-F387 WeakPolarHBondContact O-CD2 3.31Å; F385-F387 PolarHBondContact O-N 2.94Å
388	H	50.5	Low	74.1	Confident	163 Å²	163	78 Å²	78	76%	0.755	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	7.1	-176.9	-62.5	95.9	0	0	0	114.8	T386 K390	T386-H388 PolarHBondContact O-N 3.11Å; H388-K390 PolarHBondContact O-N 3.05Å; H388-K390 VanDerWaalsContact O-N 3.11Å
389	S	57.2	Low	74.3	Confident	42 Å²	42	76 Å²	76	29%	0.294	37%	0.368	S	S	.	.			trans	-65.3	114	-178	61.2	0	0	0	0	112.2	T386 E391	T386-S389 PolarHBondContact O-N 3Å; T386-S389 PolarHBondContact O-OG 3.12Å; S389-E391 VanDerWaalsContact C-N 3.35Å
390	K	63.9	Low	74.5	Confident	113 Å²	113	68.9 Å²	68.9	49%	0.491	34%	0.338	S	S	.	.			trans	-84.1	-7.2	-178.9	-61.9	-179.5	176.6	-168.2	0	114.1	F299 E304 R368 H388	F299-K390 HydrophobicContact CE1-CG 4.37Å; F299-K390 HydrophobicContact CZ-CG 4.39Å; E304-K390 VanDerWaalsContact OE1-CD 3.29Å; E304-K390 WeakPolarHBondContact OE1-CD 3.37Å; E304-K390 WeakPolarHBondContact OE1-CE 3.44Å; E304-K390 IonicContact OE1-NZ 3.87Å; E304-K390 PolarHBondContact OE1-NZ 3.36Å; E304-K390 IonicContact OE2-NZ 3.6Å; E304-K390 PolarHBondContact OE2-NZ 2.84Å; R368-K390 PolarHBondContact NH1-O 3.49Å; H388-K390 PolarHBondContact O-N 3.05Å; H388-K390 VanDerWaalsContact O-N 3.11Å
391	E	74.9	Confident	74.8	Confident	130 Å²	130	69.9 Å²	69.9	61%	0.607	33%	0.332	S	S	*	.	S	Bend	trans	-70.4	154.4	-172	-58.4	-168.2	134.5	0	0	113.2	R368 S389	R368-E391 WeakPolarHBondContact CG-O 3.29Å; S389-E391 VanDerWaalsContact C-N 3.35Å
392	I	82.1	Confident	75.1	Confident	54 Å²	54	71.6 Å²	71.6	28%	0.277	34%	0.34	S	S	.	.			trans	-89.4	113.8	170.3	-65.5	156.9	0	0	0	106.7	H366 R367 A394 S406	H366-I392 HydrophobicContact CB-CD1 4.12Å; H366-I392 HydrophobicContact CB-CG1 4.32Å; H366-I392 HydrophobicContact CB-CG2 3.85Å; R367-I392 CarbonylContact O-C 3.57Å; I392-A394 WeakPolarHBondContact CG2-O 3.42Å; I392-S406 VanDerWaalsContact O-CB 3.23Å; I392-S406 WeakPolarHBondContact O-CB 3.36Å
393	V	86.3	Confident	76.2	Confident	38 Å²	38	64.7 Å²	64.7	23%	0.23	31%	0.308	C	S	.	.			trans	-87.1	-28.7	-178.3	-58.3	0	0	0	0	112.1	R367 R368 H405 S406	R367-V393 PolarHBondContact O-N 3.22Å; R368-V393 WeakPolarHBondContact O-CG2 3.27Å; V393-H405 WeakPolarHBondContact O-CA 3.45Å; V393-S406 PolarHBondContact O-N 3.45Å
394	A	90.4	Very high	77.7	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	160.1	-172	0	0	0	0	0	114.5	R367 Q370 F381 I392 Y404	R367-A394 HydrophobicContact CB-CB 4.18Å; R367-A394 PolarHBondContact N-O 2.85Å; R367-A394 PolarHBondContact O-N 2.75Å; R367-A394 VanDerWaalsContact O-N 3.16Å; Q370-A394 HydrophobicContact CB-CB 3.64Å; Q370-A394 HydrophobicContact CG-CB 3.76Å; F381-A394 HydrophobicContact CD1-CB 3.58Å; F381-A394 HydrophobicContact CE1-CB 3.41Å; F381-A394 VanDerWaalsContact CE1-CB 3.41Å; F381-A394 HydrophobicContact CG-CB 4.42Å; F381-A394 HydrophobicContact CZ-CB 4.15Å; I392-A394 WeakPolarHBondContact CG2-O 3.42Å; A394-Y404 CarbonylContact C-O 3.5Å; A394-Y404 WeakPolarHBondContact CA-O 3.4Å; A394-Y404 WeakPolarHBondContact CB-O 3.41Å
395	I	91.9	Very high	79.5	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	122.8	173.1	-56.2	175.5	0	0	0	106.2	L243 I247 W364 A403 Y404 F411	L243-I395 HydrophobicContact CD2-CD1 3.62Å; L243-I395 HydrophobicContact CG-CD1 4.36Å; I247-I395 HydrophobicContact CD1-CD1 4.02Å; I247-I395 HydrophobicContact CD1-CG2 3.84Å; W364-I395 HydrophobicContact CB-CG2 4.12Å; W364-I395 HydrophobicContact CD2-CG2 4.36Å; W364-I395 HydrophobicContact CE3-CG2 4.02Å; W364-I395 HydrophobicContact CG-CG2 4.44Å; I395-A403 CarbonylContact O-C 3.59Å; I395-A403 WeakPolarHBondContact O-CA 3.48Å; I395-Y404 PolarHBondContact N-O 2.97Å; I395-Y404 PolarHBondContact O-N 2.86Å; I395-F411 HydrophobicContact CB-CD2 4.37Å; I395-F411 HydrophobicContact CD1-CB 4.14Å; I395-F411 HydrophobicContact CD1-CD1 3.68Å; I395-F411 HydrophobicContact CD1-CE1 4.21Å; I395-F411 HydrophobicContact CD1-CG 3.85Å; I395-F411 HydrophobicContact CG2-CD2 4.19Å; I395-F411 HydrophobicContact CG2-CE1 4.33Å; I395-F411 HydrophobicContact CG2-CE2 3.92Å; I395-F411 HydrophobicContact CG2-CG 4.5Å; I395-F411 HydrophobicContact CG2-CZ 4Å
396	S	93.7	Very high	81.5	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.7	-169.2	66.5	0	0	0	0	112.2	W364 V365 R367 Q402	W364-S396 CarbonylContact C-O 3.6Å; W364-S396 WeakPolarHBondContact CA-O 3.39Å; V365-S396 PolarHBondContact N-O 2.9Å; V365-S396 PolarHBondContact O-N 2.7Å; V365-S396 PolarHBondContact O-OG 3.07Å; R367-S396 VanDerWaalsContact CG-OG 3.25Å; R367-S396 WeakPolarHBondContact CG-OG 3.19Å; R367-S396 PolarHBondContact NE-OG 2.92Å; R367-S396 PolarHBondContact NH2-OG 3.36Å; S396-Q402 CarbonylContact C-O 3.54Å; S396-Q402 WeakPolarHBondContact CA-O 3.17Å
397	C	94.1	Very high	83.3	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	123.3	175.2	-173.2	0	0	0	0	111.1	H362 H363 W364 W399 C400 K401 Q402	H362-C397 PolarHBondContact ND1-SG 2.87Å; H362-C397 VanDerWaalsContact ND1-SG 3.44Å; H363-C397 WeakPolarHBondContact O-CA 3.36Å; W364-C397 HydrophobicContact CE3-CB 3.82Å; W364-C397 HydrophobicContact CH2-CB 4.06Å; W364-C397 HydrophobicContact CZ3-CB 3.57Å; C397-W399 PolarHBondContact O-N 2.97Å; C397-W399 PolarHBondContact SG-N 3.31Å; C397-C400 VanDerWaalsContact CB-SG 3.59Å; C397-C400 VanDerWaalsContact SG-SG 3.67Å; C397-K401 VanDerWaalsContact O-CA 3.29Å; C397-K401 WeakPolarHBondContact O-CA 3.41Å; C397-K401 PolarHBondContact O-N 2.92Å; C397-K401 VanDerWaalsContact O-N 3.1Å; C397-Q402 PolarHBondContact N-O 3.18Å
398	S	94.4	Very high	85	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-11.9	177.2	-58.7	0	0	0	0	114.3	H363 V365 K401	H363-S398 PolarHBondContact CD2-OG 2.84Å; H363-S398 PolarHBondContact O-N 2.93Å; V365-S398 VanDerWaalsContact CG2-OG 3.23Å; V365-S398 WeakPolarHBondContact CG2-OG 3.44Å; S398-K401 PolarHBondContact O-NZ 2.91Å
399	W	94.5	Very high	86.7	Confident	5 Å²	5	42.6 Å²	42.6	2%	0.019	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-88.7	167.2	-72.9	121.9	0	0	0	110.1	K343 P344 V360 C397 K401 L422 V429 P432 N511	K343-W399 HydrophobicContact CB-CZ2 4.17Å; K343-W399 HydrophobicContact CD-CD2 4.15Å; K343-W399 HydrophobicContact CD-CE3 4.26Å; K343-W399 HydrophobicContact CD-CH2 4.2Å; K343-W399 HydrophobicContact CD-CZ2 4.06Å; K343-W399 HydrophobicContact CD-CZ3 4.29Å; K343-W399 HydrophobicContact CG-CZ2 4.29Å; P344-W399 WeakPolarHBondContact O-CZ2 3.27Å; V360-W399 HydrophobicContact CG1-CG 4.41Å; C397-W399 PolarHBondContact O-N 2.97Å; C397-W399 PolarHBondContact SG-N 3.31Å; W399-K401 VanDerWaalsContact O-CD 3.29Å; W399-K401 WeakPolarHBondContact O-CD 3.4Å; W399-K401 VanDerWaalsContact O-CE 3.25Å; W399-K401 WeakPolarHBondContact O-CE 3.32Å; W399-K401 WeakPolarHBondContact O-CG 3.37Å; W399-K401 PolarHBondContact O-N 2.91Å; W399-L422 HydrophobicContact CB-CD2 4.16Å; W399-L422 HydrophobicContact CD2-CD2 3.9Å; W399-L422 HydrophobicContact CE3-CD2 3.81Å; W399-L422 HydrophobicContact CG-CD2 4.08Å; W399-L422 HydrophobicContact CZ3-CD2 4.48Å; W399-V429 HydrophobicContact CE3-CG1 4.37Å; W399-V429 HydrophobicContact CZ3-CG1 3.95Å; W399-P432 HydrophobicContact CZ2-CG 3.99Å; W399-N511 HydrophobicContact CH2-CB 3.71Å; W399-N511 HydrophobicContact CZ3-CB 3.99Å
400	C	92.9	Very high	88.1	Confident	9 Å²	9	40.9 Å²	40.9	6%	0.061	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	5	-170.8	66.3	0	0	0	0	117.1	H362 C397 Q402 L422	H362-C400 PolarHBondContact CE1-SG 3.01Å; C397-C400 VanDerWaalsContact CB-SG 3.59Å; C397-C400 VanDerWaalsContact SG-SG 3.67Å; C400-Q402 HydrophobicContact CB-CG 4.5Å; C400-Q402 PolarHBondContact O-N 2.83Å; C400-L422 VanDerWaalsContact CA-C 3.49Å; C400-L422 WeakPolarHBondContact CA-O 3.33Å
401	K	93.1	Very high	89.4	Confident	61 Å²	61	35.6 Å²	35.6	27%	0.265	19%	0.188	S	C	.	.			trans	59.8	-3.9	176.9	-46.4	-52.5	177.8	-168.1	0	116.5	C397 S398 W399 A403 W508	C397-K401 VanDerWaalsContact O-CA 3.29Å; C397-K401 WeakPolarHBondContact O-CA 3.41Å; C397-K401 PolarHBondContact O-N 2.92Å; C397-K401 VanDerWaalsContact O-N 3.1Å; S398-K401 PolarHBondContact O-NZ 2.91Å; W399-K401 VanDerWaalsContact O-CD 3.29Å; W399-K401 WeakPolarHBondContact O-CD 3.4Å; W399-K401 VanDerWaalsContact O-CE 3.25Å; W399-K401 WeakPolarHBondContact O-CE 3.32Å; W399-K401 WeakPolarHBondContact O-CG 3.37Å; W399-K401 PolarHBondContact O-N 2.91Å; K401-A403 PolarHBondContact O-N 3.15Å; K401-W508 HydrophobicContact CD-CH2 4.24Å; K401-W508 HydrophobicContact CD-CZ2 3.65Å; K401-W508 VanDerWaalsContact NZ-CD2 3.33Å; K401-W508 VanDerWaalsContact NZ-CE2 3.28Å; K401-W508 PolarHBondContact NZ-O 2.85Å
402	Q	92.3	Very high	89.8	Confident	52 Å²	52	33.5 Å²	33.5	24%	0.243	18%	0.179	C	C	.	.			trans	-52.4	136	171.6	-66.3	177.5	0.4	0	0	110.9	S396 C397 C400 Y404	S396-Q402 CarbonylContact C-O 3.54Å; S396-Q402 WeakPolarHBondContact CA-O 3.17Å; C397-Q402 PolarHBondContact N-O 3.18Å; C400-Q402 HydrophobicContact CB-CG 4.5Å; C400-Q402 PolarHBondContact O-N 2.83Å; Q402-Y404 HydrophobicContact CB-CE2 4.03Å; Q402-Y404 PolarHBondContact OE1-OH 3.31Å
403	A	92.9	Very high	89.6	Confident	6 Å²	6	36 Å²	36	5%	0.05	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	145.9	176.6	0	0	0	0	0	111.2	Q370 C374 R375 F381 I395 K401	Q370-A403 HydrophobicContact CG-CB 3.88Å; C374-A403 WeakPolarHBondContact CA-O 3.43Å; R375-A403 PolarHBondContact N-O 2.96Å; F381-A403 HydrophobicContact CE2-CB 3.88Å; F381-A403 HydrophobicContact CZ-CB 3.56Å; I395-A403 CarbonylContact O-C 3.59Å; I395-A403 WeakPolarHBondContact O-CA 3.48Å; K401-A403 PolarHBondContact O-N 3.15Å
404	Y	93.2	Very high	89.3	Confident	14 Å²	14	40.8 Å²	40.8	6%	0.055	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	148.7	-179	-62.1	-94.3	0	0	0	109.2	W364 R375 H376 A394 I395 Q402 C410 F411	W364-Y404 HydrophobicContact CH2-CD2 4.01Å; W364-Y404 AromaticContact CH2-CE2 3.65Å; W364-Y404 HydrophobicContact CH2-CE2 3.65Å; W364-Y404 AromaticContact CZ3-CD2 3.99Å; W364-Y404 HydrophobicContact CZ3-CD2 3.99Å; W364-Y404 HydrophobicContact CZ3-CE2 4.04Å; R375-Y404 HydrophobicContact CB-CD1 4.28Å; R375-Y404 HydrophobicContact CB-CE1 3.74Å; R375-Y404 HydrophobicContact CB-CE2 4.24Å; R375-Y404 HydrophobicContact CG-CE1 4.07Å; R375-Y404 WeakPolarHBondContact CG-OH 3.3Å; H376-Y404 HydrophobicContact CB-CD1 3.8Å; H376-Y404 HydrophobicContact CB-CE1 3.95Å; A394-Y404 CarbonylContact C-O 3.5Å; A394-Y404 WeakPolarHBondContact CA-O 3.4Å; A394-Y404 WeakPolarHBondContact CB-O 3.41Å; I395-Y404 PolarHBondContact N-O 2.97Å; I395-Y404 PolarHBondContact O-N 2.86Å; Q402-Y404 HydrophobicContact CB-CE2 4.03Å; Q402-Y404 PolarHBondContact OE1-OH 3.31Å; Y404-C410 WeakPolarHBondContact CD1-O 3.46Å; Y404-F411 AromaticContact CD2-CD2 3.98Å; Y404-F411 HydrophobicContact CD2-CD2 3.98Å; Y404-F411 HydrophobicContact CD2-CE2 4.45Å; Y404-F411 AromaticContact CG-CD2 3.99Å; Y404-F411 HydrophobicContact CG-CD2 3.99Å
405	H	90.9	Very high	88.8	Confident	26 Å²	26	41.6 Å²	41.6	12%	0.12	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	148	171.9	-63.5	113.7	0	0	0	110.2	C374 C377 K379 G380 F381 V393 K407 C410	C374-H405 WeakPolarHBondContact CB-CE1 3.45Å; C374-H405 WeakPolarHBondContact CB-ND1 3.37Å; C374-H405 PolarHBondContact SG-N 3.33Å; C374-H405 VanDerWaalsContact SG-N 3.4Å; C374-H405 PolarHBondContact SG-ND1 3.09Å; C374-H405 VanDerWaalsContact SG-ND1 3.38Å; C377-H405 PolarHBondContact SG-CE1 3Å; C377-H405 PolarHBondContact SG-ND1 3.12Å; C377-H405 VanDerWaalsContact SG-ND1 3.35Å; K379-H405 PolarHBondContact O-CE1 3.16Å; G380-H405 PolarHBondContact O-NE2 2.76Å; F381-H405 AromaticContact CD1-CD2 3.45Å; F381-H405 VanDerWaalsContact CD1-CD2 3.45Å; F381-H405 WeakPolarHBondContact CD1-CD2 3.45Å; F381-H405 AromaticContact CD1-NE2 3.76Å; F381-H405 AromaticContact CE1-CD2 3.67Å; V393-H405 WeakPolarHBondContact O-CA 3.45Å; H405-K407 HydrophobicContact CB-CG 4.44Å; H405-K407 PolarHBondContact O-N 2.82Å; H405-C410 HydrophobicContact CB-CB 3.99Å
406	S	87.6	Confident	88.3	Confident	27 Å²	27	42.7 Å²	42.7	19%	0.189	22%	0.222	C	C	.	.	S	Bend	trans	-74.2	54.9	175.4	-173.6	0	0	0	0	112.3	I392 V393	I392-S406 VanDerWaalsContact O-CB 3.23Å; I392-S406 WeakPolarHBondContact O-CB 3.36Å; V393-S406 PolarHBondContact O-N 3.45Å
407	K	85.8	Confident	87.7	Confident	130 Å²	130	50 Å²	50	57%	0.565	26%	0.256	S	S	*	.	S	Bend	trans	-137.3	140.3	-178.6	-63	-177.1	-178.8	179.6	0	109.1	H405 S409 C410 F411	H405-K407 HydrophobicContact CB-CG 4.44Å; H405-K407 PolarHBondContact O-N 2.82Å; K407-S409 PolarHBondContact O-N 3.11Å; K407-C410 PolarHBondContact O-N 2.82Å; K407-F411 PolarHBondContact O-N 3.03Å
408	V	83.3	Confident	87.4	Confident	96 Å²	96	54.5 Å²	54.5	58%	0.582	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-28.6	-178.7	-173.9	0	0	0	0	112.3	C410	V408-C410 PolarHBondContact O-N 3.18Å
409	S	85.8	Confident	87.2	Confident	88 Å²	88	58.3 Å²	58.3	62%	0.615	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	5.1	173.7	58.8	0	0	0	0	115	H376 K407	H376-S409 PolarHBondContact CE1-O 2.96Å; H376-S409 VanDerWaalsContact CE1-O 3.26Å; H376-S409 PolarHBondContact ND1-O 3.01Å; H376-S409 VanDerWaalsContact ND1-O 3.11Å; K407-S409 PolarHBondContact O-N 3.11Å
410	C	86.9	Confident	87.1	Confident	7 Å²	7	58.6 Å²	58.6	5%	0.047	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.3	-34.9	176.9	-68.6	0	0	0	0	112.3	H376 Y404 H405 K407 V408	H376-C410 HydrophobicContact CB-CB 4.48Å; H376-C410 WeakPolarHBondContact CB-O 3.43Å; Y404-C410 WeakPolarHBondContact CD1-O 3.46Å; H405-C410 HydrophobicContact CB-CB 3.99Å; K407-C410 PolarHBondContact O-N 2.82Å; V408-C410 PolarHBondContact O-N 3.18Å
411	F	90	Very high	87	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.009	33%	0.325	C	S	.	.			trans	-119.6	116.6	177.8	-171.7	-98.1	0	0	0	110.6	L243 I247 W364 I395 Y404 K407 Q415 I416	L243-F411 HydrophobicContact CD1-CD1 4.09Å; L243-F411 HydrophobicContact CD1-CE1 4.14Å; L243-F411 HydrophobicContact CD2-CD1 4.23Å; I247-F411 HydrophobicContact CD1-CE1 3.89Å; I247-F411 HydrophobicContact CD1-CZ 4.31Å; I247-F411 HydrophobicContact CG1-CE1 4.41Å; W364-F411 AromaticContact CD1-CZ 3.98Å; W364-F411 AromaticContact CD2-CE2 3.78Å; W364-F411 HydrophobicContact CD2-CE2 3.78Å; W364-F411 AromaticContact CD2-CZ 3.92Å; W364-F411 HydrophobicContact CD2-CZ 3.92Å; W364-F411 AromaticContact CE2-CE2 3.66Å; W364-F411 AromaticContact CE2-CZ 3.84Å; W364-F411 AromaticContact CE3-CE2 3.98Å; W364-F411 HydrophobicContact CE3-CE2 3.98Å; W364-F411 HydrophobicContact CG-CE2 4.38Å; W364-F411 HydrophobicContact CG-CZ 4.04Å; W364-F411 HydrophobicContact CH2-CE2 4.08Å; W364-F411 AromaticContact CZ2-CE2 3.82Å; W364-F411 HydrophobicContact CZ2-CE2 3.82Å; W364-F411 HydrophobicContact CZ2-CZ 4.41Å; W364-F411 HydrophobicContact CZ3-CE2 4.13Å; W364-F411 AromaticContact NE1-CZ 3.85Å; I395-F411 HydrophobicContact CB-CD2 4.37Å; I395-F411 HydrophobicContact CD1-CB 4.14Å; I395-F411 HydrophobicContact CD1-CD1 3.68Å; I395-F411 HydrophobicContact CD1-CE1 4.21Å; I395-F411 HydrophobicContact CD1-CG 3.85Å; I395-F411 HydrophobicContact CG2-CD2 4.19Å; I395-F411 HydrophobicContact CG2-CE1 4.33Å; I395-F411 HydrophobicContact CG2-CE2 3.92Å; I395-F411 HydrophobicContact CG2-CG 4.5Å; I395-F411 HydrophobicContact CG2-CZ 4Å; Y404-F411 AromaticContact CD2-CD2 3.98Å; Y404-F411 HydrophobicContact CD2-CD2 3.98Å; Y404-F411 HydrophobicContact CD2-CE2 4.45Å; Y404-F411 AromaticContact CG-CD2 3.99Å; Y404-F411 HydrophobicContact CG-CD2 3.99Å; K407-F411 PolarHBondContact O-N 3.03Å; F411-Q415 VanDerWaalsContact CD2-OE1 3.25Å; F411-Q415 HydrophobicContact CE2-CB 4.21Å; F411-I416 HydrophobicContact CE1-CD1 4.15Å; F411-I416 HydrophobicContact CE1-CG1 4.02Å; F411-I416 HydrophobicContact CZ-CG1 3.93Å
412	M	83.2	Confident	86.9	Confident	85 Å²	85	59.5 Å²	59.5	42%	0.419	32%	0.317	S	S	.	.			trans	-107.5	145.3	-176.4	-64.2	-169.4	-69.2	0	0	110.8	Q414 Q415	M412-Q414 PolarHBondContact O-N 3.1Å; M412-Q415 WeakPolarHBondContact O-CB 3.39Å; M412-Q415 PolarHBondContact O-N 3.47Å
413	L	78.9	Confident	86.9	Confident	108 Å²	108	58 Å²	58	57%	0.565	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-57.8	-26.7	-177.1	-100.9	67.8	0	0	0	114	L243 Q415 I416	L243-L413 HydrophobicContact CD1-CD1 3.74Å; L413-Q415 VanDerWaalsContact C-N 3.26Å; L413-Q415 PolarHBondContact O-N 3.03Å; L413-I416 HydrophobicContact CG-CD1 4.2Å; L413-I416 VanDerWaalsContact O-CB 3.23Å; L413-I416 WeakPolarHBondContact O-CB 3.46Å; L413-I416 WeakPolarHBondContact O-CG1 3.32Å; L413-I416 PolarHBondContact O-N 3.21Å; L413-I416 VanDerWaalsContact O-N 3.12Å
414	Q	79.2	Confident	86.8	Confident	138 Å²	138	63.7 Å²	63.7	65%	0.645	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-61.5	-32.7	176.9	-71.2	166.7	-32	0	0	112.6	M412 I416 E417 E418	M412-Q414 PolarHBondContact O-N 3.1Å; Q414-I416 PolarHBondContact O-N 3.16Å; Q414-E417 PolarHBondContact O-N 3.05Å; Q414-E418 PolarHBondContact O-N 3.46Å
415	Q	79.6	Confident	86.7	Confident	16 Å²	16	63.7 Å²	63.7	8%	0.075	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-65.9	-5.5	176.6	-61.8	167.8	-26.3	0	0	113.5	W364 F411 M412 L413	W364-Q415 HydrophobicContact CZ2-CB 4.34Å; W364-Q415 WeakPolarHBondContact CZ2-O 3.32Å; W364-Q415 PolarHBondContact NE1-O 3.04Å; F411-Q415 VanDerWaalsContact CD2-OE1 3.25Å; F411-Q415 HydrophobicContact CE2-CB 4.21Å; M412-Q415 WeakPolarHBondContact O-CB 3.39Å; M412-Q415 PolarHBondContact O-N 3.47Å; L413-Q415 VanDerWaalsContact C-N 3.26Å; L413-Q415 PolarHBondContact O-N 3.03Å
416	I	81.6	Confident	86.8	Confident	23 Å²	23	64 Å²	64	12%	0.118	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-85.1	-29	173.9	-58	-179.4	0	0	0	111.2	A246 I247 F411 L413 Q414	A246-I416 HydrophobicContact CB-CD1 4.43Å; I247-I416 HydrophobicContact CG1-CD1 4.19Å; F411-I416 HydrophobicContact CE1-CD1 4.15Å; F411-I416 HydrophobicContact CE1-CG1 4.02Å; F411-I416 HydrophobicContact CZ-CG1 3.93Å; L413-I416 HydrophobicContact CG-CD1 4.2Å; L413-I416 VanDerWaalsContact O-CB 3.23Å; L413-I416 WeakPolarHBondContact O-CB 3.46Å; L413-I416 WeakPolarHBondContact O-CG1 3.32Å; L413-I416 PolarHBondContact O-N 3.21Å; L413-I416 VanDerWaalsContact O-N 3.12Å; Q414-I416 PolarHBondContact O-N 3.16Å
417	E	81.2	Confident	87	Confident	157 Å²	157	63.4 Å²	63.4	73%	0.734	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-19.1	-176.4	-57	-165.8	150.7	0	0	113.1	Q414	Q414-E417 PolarHBondContact O-N 3.05Å
418	E	88.1	Confident	87.5	Confident	95 Å²	95	57.2 Å²	57.2	44%	0.444	33%	0.326	S	S	.	.	S	Bend	trans	-59.1	146.6	177.9	-74.1	175.7	165.6	0	0	113.9	Q414	Q414-E418 PolarHBondContact O-N 3.46Å
419	P	89.9	Confident	88.1	Confident	79 Å²	79	52.7 Å²	52.7	51%	0.513	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-72.8	132.3	174.6	31.1	-34.5	0	0	0	111.2	F359 S421	F359-P419 HydrophobicContact CB-CB 3.93Å; F359-P419 HydrophobicContact CD2-CB 3.63Å; F359-P419 HydrophobicContact CE2-CB 4.2Å; F359-P419 HydrophobicContact CG-CB 3.84Å; P419-S421 PolarHBondContact O-N 3.21Å
420	C	92.3	Very high	88.5	Confident	11 Å²	11	48.5 Å²	48.5	7%	0.074	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-76.8	120.7	178.3	-163.3	0	0	0	0	111.6	V360 H362 L422	V360-C420 HydrophobicContact CB-CB 4.38Å; V360-C420 HydrophobicContact CG1-CB 4.18Å; V360-C420 PolarHBondContact O-N 2.94Å; H362-C420 VanDerWaalsContact CD2-CA 3.42Å; H362-C420 WeakPolarHBondContact CD2-CA 3.2Å; H362-C420 WeakPolarHBondContact CD2-CB 3.47Å; H362-C420 WeakPolarHBondContact NE2-CA 3.39Å; C420-L422 PolarHBondContact O-N 3.35Å; C420-L422 VanDerWaalsContact O-N 3.11Å
421	S	91.5	Very high	88.8	Confident	71 Å²	71	48.7 Å²	48.7	50%	0.497	27%	0.271	S	S	.	.			trans	-71	4.7	176.3	63.2	0	0	0	0	115.1	P419 G423 A426	P419-S421 PolarHBondContact O-N 3.21Å; S421-G423 PolarHBondContact O-N 3.21Å; S421-A426 WeakPolarHBondContact O-CB 3.43Å
422	L	90.9	Very high	88.9	Confident	19 Å²	19	49.2 Å²	49.2	10%	0.099	27%	0.274	C	S	.	.			trans	60	-13.6	-172.1	-63.1	174	0	0	0	116.7	V360 W399 C400 C420 A426 V429 P431	V360-L422 HydrophobicContact CB-CD2 4.32Å; V360-L422 HydrophobicContact CG1-CD2 3.98Å; V360-L422 HydrophobicContact CG2-CD2 4.18Å; W399-L422 HydrophobicContact CB-CD2 4.16Å; W399-L422 HydrophobicContact CD2-CD2 3.9Å; W399-L422 HydrophobicContact CE3-CD2 3.81Å; W399-L422 HydrophobicContact CG-CD2 4.08Å; W399-L422 HydrophobicContact CZ3-CD2 4.48Å; C400-L422 VanDerWaalsContact CA-C 3.49Å; C400-L422 WeakPolarHBondContact CA-O 3.33Å; C420-L422 PolarHBondContact O-N 3.35Å; C420-L422 VanDerWaalsContact O-N 3.11Å; L422-A426 HydrophobicContact CB-CB 4.03Å; L422-V429 HydrophobicContact CD1-CB 4.33Å; L422-V429 HydrophobicContact CD1-CG1 3.99Å; L422-V429 HydrophobicContact CD2-CG1 4.22Å; L422-P431 HydrophobicContact CD1-CB 4.14Å; L422-P431 HydrophobicContact CD1-CG 3.87Å
423	G	91.8	Very high	89.2	Confident	21 Å²	21	46.2 Å²	46.2	22%	0.216	26%	0.261	C	S	.	.			trans	104.8	-159.9	173.4	0	0	0	0	0	112.5	S421 H425 A426	S421-G423 PolarHBondContact O-N 3.21Å; G423-H425 VanDerWaalsContact C-N 3.35Å; G423-A426 WeakPolarHBondContact O-CB 3.46Å
424	V	90.5	Very high	89.8	Confident	125 Å²	125	41.4 Å²	41.4	76%	0.758	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-39.2	178.2	-63.7	0	0	0	0	112	A426	V424-A426 PolarHBondContact O-N 3.02Å
425	H	92.9	Very high	90.4	Very high	14 Å²	14	34.8 Å²	34.8	7%	0.065	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	28	-179.4	-61.2	-50.9	0	0	0	113.9	G423 A427 V428 V429 S592 L595	G423-H425 VanDerWaalsContact C-N 3.35Å; H425-A427 VanDerWaalsContact C-N 3.29Å; H425-A427 PolarHBondContact O-N 2.71Å; H425-V428 HydrophobicContact CB-CG2 3.78Å; H425-V428 VanDerWaalsContact O-CG2 3.26Å; H425-V428 WeakPolarHBondContact O-CG2 3.48Å; H425-V428 PolarHBondContact O-N 2.92Å; H425-V429 VanDerWaalsContact O-CG2 3.28Å; H425-V429 WeakPolarHBondContact O-CG2 3.48Å; H425-V429 PolarHBondContact O-N 3.33Å; H425-S592 PolarHBondContact CE1-O 3.02Å; H425-S592 PolarHBondContact NE2-O 2.93Å; H425-S592 PolarHBondContact NE2-OG 3.44Å; H425-L595 HydrophobicContact CB-CD1 4.43Å
426	A	92	Very high	90.9	Very high	32 Å²	32	35.7 Å²	35.7	26%	0.264	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-29.1	-172.3	0	0	0	0	0	113.8	S421 L422 G423 V424	S421-A426 WeakPolarHBondContact O-CB 3.43Å; L422-A426 HydrophobicContact CB-CB 4.03Å; G423-A426 WeakPolarHBondContact O-CB 3.46Å; V424-A426 PolarHBondContact O-N 3.02Å
427	A	92.6	Very high	91.2	Very high	14 Å²	14	37.8 Å²	37.8	12%	0.116	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-30.6	-179.6	0	0	0	0	0	113.3	H425 L482 K484 E599	H425-A427 VanDerWaalsContact C-N 3.29Å; H425-A427 PolarHBondContact O-N 2.71Å; A427-L482 WeakPolarHBondContact CB-O 3.27Å; A427-K484 CarbonylContact O-C 3.58Å; A427-K484 PolarHBondContact O-N 3.19Å; A427-E599 HydrophobicContact CB-CG 4.49Å; A427-E599 WeakPolarHBondContact CB-OE1 3.26Å
428	V	95.8	Very high	91.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-19.6	177.7	-64.8	0	0	0	0	113.9	H425 I430 L486 L510 Q514 L595 E599	H425-V428 HydrophobicContact CB-CG2 3.78Å; H425-V428 VanDerWaalsContact O-CG2 3.26Å; H425-V428 WeakPolarHBondContact O-CG2 3.48Å; H425-V428 PolarHBondContact O-N 2.92Å; V428-I430 PolarHBondContact O-N 2.93Å; V428-L486 HydrophobicContact CB-CB 3.97Å; V428-L486 HydrophobicContact CG1-CB 4.46Å; V428-L486 PolarHBondContact O-N 3.01Å; V428-L510 HydrophobicContact CG2-CD2 4.29Å; V428-Q514 PolarHBondContact O-NE2 2.92Å; V428-L595 HydrophobicContact CG2-CD2 4.38Å; V428-E599 HydrophobicContact CG1-CB 3.85Å; V428-E599 HydrophobicContact CG1-CG 3.99Å
429	V	95.6	Very high	90.4	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.012	20%	0.195	C	C	.	.			trans	-79.7	118	178.3	174.3	0	0	0	0	111.5	W399 L422 H425 P431 L510	W399-V429 HydrophobicContact CE3-CG1 4.37Å; W399-V429 HydrophobicContact CZ3-CG1 3.95Å; L422-V429 HydrophobicContact CD1-CB 4.33Å; L422-V429 HydrophobicContact CD1-CG1 3.99Å; L422-V429 HydrophobicContact CD2-CG1 4.22Å; H425-V429 VanDerWaalsContact O-CG2 3.28Å; H425-V429 WeakPolarHBondContact O-CG2 3.48Å; H425-V429 PolarHBondContact O-N 3.33Å; V429-P431 WeakPolarHBondContact O-CD 3.28Å; V429-L510 HydrophobicContact CG2-CD2 3.85Å
430	I	94.9	Very high	89.5	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.			trans	-72.5	112.5	169	-67.7	179.4	0	0	0	108.7	V428 W434 I435 P485 L487 N511 Q514 Y530	V428-I430 PolarHBondContact O-N 2.93Å; I430-W434 HydrophobicContact CG2-CB 4.29Å; I430-W434 HydrophobicContact CG2-CE3 3.98Å; I430-I435 HydrophobicContact CG2-CD1 4.05Å; I430-I435 HydrophobicContact CG2-CG1 4.07Å; I430-P485 HydrophobicContact CD1-CB 4.08Å; I430-P485 HydrophobicContact CG1-CB 3.67Å; I430-L487 HydrophobicContact CD1-CD2 4.17Å; I430-N511 WeakPolarHBondContact O-CB 3.48Å; I430-N511 PolarHBondContact O-ND2 3.11Å; I430-Q514 HydrophobicContact CB-CG 3.77Å; I430-Q514 HydrophobicContact CD1-CG 4.12Å; I430-Q514 HydrophobicContact CG1-CG 4.07Å; I430-Q514 VanDerWaalsContact N-NE2 3.18Å; I430-Y530 HydrophobicContact CD1-CD1 3.77Å; I430-Y530 HydrophobicContact CD1-CE1 3.45Å; I430-Y530 VanDerWaalsContact CD1-CE1 3.45Å; I430-Y530 HydrophobicContact CG2-CE1 4.36Å
431	P	92.8	Very high	88	Confident	11 Å²	11	41.9 Å²	41.9	7%	0.071	23%	0.225	C	C	.	.			trans	-66.1	147.5	-176.6	-18	31.9	0	0	0	110.8	V360 L422 V429 T433 W434 M483	V360-P431 HydrophobicContact CG2-CB 3.94Å; L422-P431 HydrophobicContact CD1-CB 4.14Å; L422-P431 HydrophobicContact CD1-CG 3.87Å; V429-P431 WeakPolarHBondContact O-CD 3.28Å; P431-T433 HydrophobicContact CB-CG2 4.14Å; P431-T433 WeakPolarHBondContact CB-OG1 3.34Å; P431-T433 PolarHBondContact O-N 3.16Å; P431-W434 PolarHBondContact O-N 3.01Å; P431-M483 HydrophobicContact CG-CE 4.39Å
432	P	92.3	Very high	86.3	Confident	12 Å²	12	47 Å²	47	8%	0.078	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-12.3	172	28.1	-37	0	0	0	112.9	P344 F346 R347 V360 W399 W434 I435	P344-P432 WeakPolarHBondContact O-CB 3.29Å; P344-P432 WeakPolarHBondContact O-CG 3.46Å; F346-P432 CarbonylContact C-O 3.52Å; R347-P432 PolarHBondContact N-O 3.25Å; V360-P432 HydrophobicContact CG1-CG 4.44Å; V360-P432 HydrophobicContact CG2-CG 4.24Å; W399-P432 HydrophobicContact CZ2-CG 3.99Å; P432-W434 VanDerWaalsContact C-N 3.28Å; P432-W434 PolarHBondContact O-N 2.67Å; P432-I435 PolarHBondContact O-N 2.94Å
433	T	89.1	Confident	84.2	Confident	22 Å²	22	53.1 Å²	53.1	14%	0.135	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-26.3	175	73.8	0	0	0	0	113.1	R347 T358 V360 P431	R347-T433 VanDerWaalsContact CZ-CB 3.44Å; R347-T433 VanDerWaalsContact NH1-CB 3.26Å; R347-T433 PolarHBondContact NH1-O 2.96Å; R347-T433 VanDerWaalsContact NH2-CG2 3.3Å; T358-T433 WeakPolarHBondContact O-CG2 3.3Å; V360-T433 HydrophobicContact CG2-CG2 3.55Å; P431-T433 HydrophobicContact CB-CG2 4.14Å; P431-T433 WeakPolarHBondContact CB-OG1 3.34Å; P431-T433 PolarHBondContact O-N 3.16Å
434	W	90.9	Very high	81.9	Confident	7 Å²	7	58.1 Å²	58.1	3%	0.027	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-22.5	179.1	-67.8	7.6	0	0	0	112.9	I430 P431 P432 R476 P477 T478 M483 P485 V533 H534	I430-W434 HydrophobicContact CG2-CB 4.29Å; I430-W434 HydrophobicContact CG2-CE3 3.98Å; P431-W434 PolarHBondContact O-N 3.01Å; P432-W434 VanDerWaalsContact C-N 3.28Å; P432-W434 PolarHBondContact O-N 2.67Å; W434-R476 WeakPolarHBondContact CA-O 3.37Å; W434-R476 PolarHBondContact O-N 3.04Å; W434-P477 HydrophobicContact CD2-CB 4.11Å; W434-P477 HydrophobicContact CE3-CB 3.68Å; W434-P477 HydrophobicContact CH2-CB 4.07Å; W434-P477 HydrophobicContact CZ2-CB 4.46Å; W434-P477 HydrophobicContact CZ3-CB 3.66Å; W434-T478 VanDerWaalsContact CE2-N 3.28Å; W434-T478 VanDerWaalsContact CZ2-O 3.3Å; W434-T478 WeakPolarHBondContact CZ2-O 3.41Å; W434-T478 PolarHBondContact NE1-OG1 3.07Å; W434-T478 VanDerWaalsContact NE1-OG1 3.15Å; W434-M483 HydrophobicContact CH2-CE 3.73Å; W434-M483 HydrophobicContact CH2-SD 3.74Å; W434-M483 HydrophobicContact CZ2-CE 3.8Å; W434-M483 HydrophobicContact CZ2-SD 3.54Å; W434-M483 VanDerWaalsContact CZ2-SD 3.54Å; W434-M483 HydrophobicContact CZ3-CE 4.48Å; W434-P485 HydrophobicContact CH2-CG 4Å; W434-P485 HydrophobicContact CZ3-CB 4.28Å; W434-P485 HydrophobicContact CZ3-CG 3.84Å; W434-V533 HydrophobicContact CZ3-CG1 4.04Å; W434-H534 AromaticContact CH2-CE1 3.96Å
435	I	92.4	Very high	80.1	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	107.7	-173.1	-51.2	-174	0	0	0	108.8	F346 R347 I430 P432 F473 I475 R513 Y530	F346-I435 CarbonylContact C-O 3.59Å; F346-I435 WeakPolarHBondContact CA-O 3.32Å; F346-I435 HydrophobicContact CB-CB 4.09Å; F346-I435 HydrophobicContact CB-CG2 3.81Å; F346-I435 WeakPolarHBondContact CB-O 3.09Å; R347-I435 PolarHBondContact N-O 2.96Å; I430-I435 HydrophobicContact CG2-CD1 4.05Å; I430-I435 HydrophobicContact CG2-CG1 4.07Å; P432-I435 PolarHBondContact O-N 2.94Å; I435-F473 HydrophobicContact CG2-CD1 3.96Å; I435-I475 HydrophobicContact CB-CD1 4.36Å; I435-I475 HydrophobicContact CD1-CD1 4.5Å; I435-I475 HydrophobicContact CG1-CD1 3.98Å; I435-I475 HydrophobicContact CG2-CD1 4.03Å; I435-R513 HydrophobicContact CD1-CB 3.57Å; I435-R513 HydrophobicContact CD1-CG 4.47Å; I435-Y530 WeakPolarHBondContact CD1-OH 3.5Å
436	L	89.4	Confident	77.9	Confident	35 Å²	35	68.6 Å²	68.6	18%	0.183	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125.2	-176.6	-53	-175.1	0	0	0	110.6	R347 A438 F473 I474 R476	R347-L436 HydrophobicContact CB-CD2 3.96Å; L436-A438 PolarHBondContact O-N 3.42Å; L436-F473 WeakPolarHBondContact O-CA 3.28Å; L436-I474 PolarHBondContact N-O 3.44Å; L436-I474 PolarHBondContact O-N 2.68Å; L436-R476 HydrophobicContact CD1-CB 4.43Å; L436-R476 HydrophobicContact CD1-CG 4Å
437	R	87.6	Confident	75.7	Confident	67 Å²	67	72.3 Å²	72.3	25%	0.253	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	112.7	166.1	-175.4	170.3	166.4	-145.6	-4.3	108.5	E281 A283 F346 R347 E348 S349 P472 F473	E281-R437 PolarHBondContact O-NH2 3.27Å; A283-R437 PolarHBondContact O-NH1 3.38Å; F346-R437 HydrophobicContact CD2-CB 3.75Å; F346-R437 HydrophobicContact CE2-CB 3.79Å; F346-R437 HydrophobicContact CE2-CG 4.39Å; R347-R437 PolarHBondContact O-N 3.44Å; E348-R437 IonicContact OE1-NH1 3.8Å; S349-R437 VanDerWaalsContact CB-O 3.3Å; S349-R437 WeakPolarHBondContact CB-O 3.42Å; S349-R437 PolarHBondContact N-O 3.04Å; S349-R437 PolarHBondContact OG-O 3.25Å; R437-P472 CarbonylContact C-O 3.52Å; R437-P472 WeakPolarHBondContact CA-O 3.36Å; R437-F473 HydrophobicContact CB-CD1 4.19Å; R437-F473 HydrophobicContact CB-CE1 3.74Å; R437-F473 HydrophobicContact CB-CZ 4.24Å; R437-F473 HydrophobicContact CG-CE1 4.19Å; R437-F473 HydrophobicContact CG-CZ 4.18Å
438	A	80.1	Confident	73.5	Confident	17 Å²	17	77.1 Å²	77.1	14%	0.14	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-73.7	149.1	177.3	0	0	0	0	0	110.3	L436 W470 P472 I474	L436-A438 PolarHBondContact O-N 3.42Å; A438-W470 HydrophobicContact CB-CZ2 4.41Å; A438-P472 PolarHBondContact N-O 2.73Å; A438-I474 HydrophobicContact CB-CD1 3.86Å; A438-I474 HydrophobicContact CB-CG1 4.14Å
439	R	72.9	Confident	71.6	Confident	157 Å²	157	87.1 Å²	87.1	59%	0.592	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-92.7	145.5	164.6	-61	-170.9	-169.9	-144.1	2.6	109	S349 W470	S349-R439 PolarHBondContact O-NE 2.98Å; S349-R439 PolarHBondContact O-NH2 2.96Å; R439-W470 PolarHBondContact O-NE1 3.49Å
440	R	70.4	Confident	69.3	Low	160 Å²	160	96.9 Å²	96.9	60%	0.604	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-66.8	127.5	174.1	-162.8	163.5	177.3	161.7	-5.7	109.2	E281 Q442 W470	E281-R440 IonicContact OE1-CZ 3.83Å; E281-R440 IonicContact OE1-NH1 2.84Å; E281-R440 PolarHBondContact OE1-NH1 2.78Å; R440-Q442 PolarHBondContact O-N 2.92Å; R440-Q442 VanDerWaalsContact O-N 3.11Å; R440-W470 HydrophobicContact CB-CD2 4.39Å; R440-W470 HydrophobicContact CB-CH2 4.07Å; R440-W470 HydrophobicContact CB-CZ2 3.81Å; R440-W470 HydrophobicContact CB-CZ3 4.47Å; R440-W470 HydrophobicContact CG-CD2 4.15Å; R440-W470 HydrophobicContact CG-CE3 4.29Å; R440-W470 HydrophobicContact CG-CZ2 4.44Å; R440-W470 HydrophobicContact CG-CZ3 4.49Å; R440-W470 VanDerWaalsContact N-CZ2 3.33Å
441	P	60.8	Low	67	Low	94 Å²	94	106.7 Å²	106.7	61%	0.61	53%	0.534	S	S	*	.			trans	-62.1	115.1	176	-21.9	33	0	0	0	109.8	N443	P441-N443 PolarHBondContact O-N 3.46Å
442	Q	56.6	Low	65	Low	178 Å²	178	116.4 Å²	116.4	83%	0.832	58%	0.575	S	S	*	*			trans	-74.2	122.6	166.9	-76.4	-172.9	-42.1	0	0	108.6	R440 T444	R440-Q442 PolarHBondContact O-N 2.92Å; R440-Q442 VanDerWaalsContact O-N 3.11Å; Q442-T444 PolarHBondContact O-N 3.01Å
443	N	46.1	Very low	62.7	Low	148 Å²	148	127.7 Å²	127.7	79%	0.791	62%	0.616	S	S	*	*			trans	-65.8	97	170	-76.6	-13.5	0	0	0	108.9	P441 L445	P441-N443 PolarHBondContact O-N 3.46Å; N443-L445 PolarHBondContact O-N 2.94Å
444	T	43.6	Very low	60.7	Low	125 Å²	125	130.8 Å²	130.8	77%	0.767	64%	0.644	S	S	*	*			trans	-71	95.5	179.2	52.9	0	0	0	0	110.2	Q442 K446	Q442-T444 PolarHBondContact O-N 3.01Å; T444-K446 PolarHBondContact O-N 2.9Å
445	L	54.1	Low	58.3	Low	170 Å²	170	136.2 Å²	136.2	89%	0.89	68%	0.683	S	S	*	*			trans	-67.3	68.4	173.4	-71.3	171.9	0	0	0	111.8	N443	N443-L445 PolarHBondContact O-N 2.94Å
446	K	46.1	Very low	56.2	Low	190 Å²	190	145.1 Å²	145.1	83%	0.826	72%	0.722	S	S	*	*			trans	-136.2	68.6	167.4	-70.7	-160	175.7	-170.7	0	110.7	T444 S448	T444-K446 PolarHBondContact O-N 2.9Å; K446-S448 VanDerWaalsContact C-N 3.26Å; K446-S448 PolarHBondContact O-N 3.47Å
447	A	45.3	Very low	54	Low	109 Å²	109	153.5 Å²	153.5	90%	0.901	76%	0.757	S	S	*	*			trans	-66.3	85.4	163.3	0	0	0	0	0	109.8
448	S	45.7	Very low	52	Low	116 Å²	116	161.7 Å²	161.7	81%	0.811	79%	0.788	S	S	*	*			trans	-89.6	130.5	172.4	-167.5	0	0	0	0	110.6	K446 K450	K446-S448 VanDerWaalsContact C-N 3.26Å; K446-S448 PolarHBondContact O-N 3.47Å; S448-K450 PolarHBondContact O-N 3.26Å
449	K	57.4	Low	50	Low	209 Å²	209	170.8 Å²	170.8	91%	0.909	82%	0.824	S	S	*	*			trans	-62.5	120.2	-168.1	-60.6	167.8	-178.6	174.2	0	111.6
450	K	47.5	Very low	48.3	Very low	208 Å²	208	168.9 Å²	168.9	90%	0.904	84%	0.835	S	S	*	*			trans	-137.5	125.6	158.9	-147.8	163.7	-172.5	173.4	0	112	S448	S448-K450 PolarHBondContact O-N 3.26Å
451	K	46.2	Very low	46.6	Very low	206 Å²	206	166.5 Å²	166.5	90%	0.896	84%	0.843	S	S	*	*			trans	-36.6	143.1	-165.1	-75.9	175.4	167.9	178.6	0	117.4
452	K	49.9	Very low	45.8	Very low	214 Å²	214	172.2 Å²	172.2	93%	0.93	86%	0.858	S	S	*	*			trans	-44	138.7	155.8	-74.1	176.7	172.7	177.4	0	111
453	R	44.2	Very low	44.7	Very low	250 Å²	250	171.2 Å²	171.2	94%	0.943	85%	0.851	S	S	*	*			trans	-135.4	123.3	137.7	-165.9	174	-172.1	174.6	3	107.2
454	A	46.6	Very low	44.1	Very low	86 Å²	86	166.6 Å²	166.6	71%	0.711	84%	0.838	S	S	*	*			trans	-80.3	143.9	-178.6	0	0	0	0	0	110.8
455	S	41.8	Very low	43.9	Very low	121 Å²	121	166.8 Å²	166.8	85%	0.846	84%	0.842	S	S	*	*			trans	-152.1	130.8	159.6	-172.6	0	0	0	0	108.5
456	F	48.6	Very low	43.1	Very low	187 Å²	187	165.9 Å²	165.9	82%	0.82	83%	0.833	S	S	*	*			trans	-95	131	-177.2	-70.3	-108.2	0	0	0	110.5
457	K	42.3	Very low	42.8	Very low	212 Å²	212	165.3 Å²	165.3	92%	0.922	83%	0.833	S	S	*	*				-176.6	159.2	112.9	-99.7	170.9	-179.8	179.1	0	112.5
458	R	46.1	Very low	42.9	Very low	238 Å²	238	163.6 Å²	163.6	90%	0.898	83%	0.827	S	S	*	*			trans	-76.4	145.6	-169.3	-58.4	168.7	176.6	163.4	-4.5	112.6
459	K	38	Very low	43.4	Very low	208 Å²	208	165.5 Å²	165.5	90%	0.904	82%	0.816	S	S	*	*				-156.5	104.7	122.8	-115.3	178.8	-177.6	-178.7	0	110.6	S461	K459-S461 PolarHBondContact O-N 2.66Å; K459-S461 VanDerWaalsContact O-N 3.11Å
460	S	36.9	Very low	43.7	Very low	118 Å²	118	159 Å²	159	83%	0.825	79%	0.786	S	S	*	*			trans	-79.9	83.6	176.7	48	0	0	0	0	110.4	K462	S460-K462 PolarHBondContact O-N 3.07Å
461	S	35.3	Very low	45.1	Very low	110 Å²	110	153 Å²	153	77%	0.769	76%	0.757	S	S	*	*			trans	-69.5	107.9	166.4	-174.4	0	0	0	0	108.8	K459 K463	K459-S461 PolarHBondContact O-N 2.66Å; K459-S461 VanDerWaalsContact O-N 3.11Å; S461-K463 PolarHBondContact O-N 2.87Å
462	K	43.5	Very low	46.9	Very low	213 Å²	213	144.4 Å²	144.4	93%	0.926	72%	0.723	S	S	*	*			trans	-75	62.4	176.5	-169.1	-178	177.7	-177.8	0	109.7	S460 G464	S460-K462 PolarHBondContact O-N 3.07Å; K462-G464 PolarHBondContact O-N 2.98Å
463	K	34.5	Very low	48.8	Very low	157 Å²	157	134.4 Å²	134.4	68%	0.683	68%	0.68	S	S	*	*			trans	-67.3	124.5	167.8	-151.3	-170	-171.5	-153.9	0	107.1	S461 E466	S461-K463 PolarHBondContact O-N 2.87Å; K463-E466 WeakPolarHBondContact CE-OE2 3.37Å; K463-E466 IonicContact NZ-OE2 2.6Å; K463-E466 PolarHBondContact NZ-OE2 2.79Å
464	G	32.5	Very low	51	Low	51 Å²	51	126.1 Å²	126.1	53%	0.526	65%	0.653	S	S	.	*			trans	-63.2	168.5	-178.2	0	0	0	0	0	112.8	K462 E466	K462-G464 PolarHBondContact O-N 2.98Å; G464-E466 VanDerWaalsContact C-N 3.29Å; G464-E466 PolarHBondContact O-N 3.31Å
465	P	38.9	Very low	53.2	Low	129 Å²	129	122.7 Å²	122.7	84%	0.838	62%	0.623	S	S	*	*			trans	-69.5	85.8	175.2	30.9	-34.6	0	0	0	110.3	E467	P465-E467 VanDerWaalsContact C-N 3.26Å; P465-E467 PolarHBondContact O-N 2.89Å
466	E	38.3	Very low	55.4	Low	151 Å²	151	124.5 Å²	124.5	71%	0.706	61%	0.611	S	S	*	*			trans	-62.3	97.7	151.3	-83.9	-176.9	108.8	0	0	106.9	K463 G464 G468	K463-E466 WeakPolarHBondContact CE-OE2 3.37Å; K463-E466 IonicContact NZ-OE2 2.6Å; K463-E466 PolarHBondContact NZ-OE2 2.79Å; G464-E466 VanDerWaalsContact C-N 3.29Å; G464-E466 PolarHBondContact O-N 3.31Å; E466-G468 VanDerWaalsContact C-N 3.29Å; E466-G468 PolarHBondContact O-N 3.45Å
467	E	38.9	Very low	57.3	Low	178 Å²	178	117.1 Å²	117.1	83%	0.832	58%	0.582	S	S	*	*			trans	-60.5	95.9	167.7	-72.1	-160.6	125.5	0	0	108.8	P465 R469	P465-E467 VanDerWaalsContact C-N 3.26Å; P465-E467 PolarHBondContact O-N 2.89Å; E467-R469 PolarHBondContact O-N 2.89Å
468	G	47.8	Very low	59.2	Low	74 Å²	74	111 Å²	111	76%	0.763	56%	0.562	S	S	*	*			trans	-70	60	173.3	0	0	0	0	0	111.4	E466 W470	E466-G468 VanDerWaalsContact C-N 3.29Å; E466-G468 PolarHBondContact O-N 3.45Å; G468-W470 PolarHBondContact O-N 3.15Å
469	R	56.4	Low	60.5	Low	155 Å²	155	105.1 Å²	105.1	59%	0.585	56%	0.555	S	S	*	*			trans	-49.5	102.9	177.9	-167.9	-179.2	93.4	-171.8	2	107.8	E467 R471 E525	E467-R469 PolarHBondContact O-N 2.89Å; R469-R471 VanDerWaalsContact O-CG 3.31Å; R469-R471 WeakPolarHBondContact O-CG 3.49Å; R469-R471 PolarHBondContact O-N 2.88Å; R469-E525 IonicContact CZ-OE1 3.14Å; R469-E525 IonicContact NH1-OE1 2.67Å; R469-E525 IonicContact NH2-OE1 3.28Å; R469-E525 PolarHBondContact NH2-OE1 3.11Å; R469-E525 IonicContact NH2-OE2 3.37Å
470	W	64.3	Low	62.5	Low	74 Å²	74	97 Å²	97	28%	0.28	52%	0.524	S	S	.	.			trans	-58.2	125.9	-170.3	167.4	88.6	0	0	0	109.3	E281 A438 R439 R440 G468 P472	E281-W470 VanDerWaalsContact CD-CH2 3.41Å; E281-W470 HydrophobicContact CG-CH2 3.65Å; E281-W470 HydrophobicContact CG-CZ3 3.54Å; E281-W470 VanDerWaalsContact OE1-CZ3 3.31Å; E281-W470 WeakPolarHBondContact OE1-CZ3 3.34Å; E281-W470 WeakPolarHBondContact OE2-CH2 3.35Å; A438-W470 HydrophobicContact CB-CZ2 4.41Å; R439-W470 PolarHBondContact O-NE1 3.49Å; R440-W470 HydrophobicContact CB-CD2 4.39Å; R440-W470 HydrophobicContact CB-CH2 4.07Å; R440-W470 HydrophobicContact CB-CZ2 3.81Å; R440-W470 HydrophobicContact CB-CZ3 4.47Å; R440-W470 HydrophobicContact CG-CD2 4.15Å; R440-W470 HydrophobicContact CG-CE3 4.29Å; R440-W470 HydrophobicContact CG-CZ2 4.44Å; R440-W470 HydrophobicContact CG-CZ3 4.49Å; R440-W470 VanDerWaalsContact N-CZ2 3.33Å; G468-W470 PolarHBondContact O-N 3.15Å; W470-P472 HydrophobicContact CH2-CB 4.1Å; W470-P472 HydrophobicContact CH2-CG 4.06Å; W470-P472 HydrophobicContact CZ3-CB 4.4Å; W470-P472 HydrophobicContact CZ3-CG 3.85Å
471	R	76.9	Confident	64.4	Low	80 Å²	80	96.9 Å²	96.9	30%	0.302	52%	0.521	S	S	.	.			trans	-100.9	129.6	-175.2	-59.8	-165.5	-177.9	-112.5	1.8	109.8	R469 F473	R469-R471 VanDerWaalsContact O-CG 3.31Å; R469-R471 WeakPolarHBondContact O-CG 3.49Å; R469-R471 PolarHBondContact O-N 2.88Å; R471-F473 PolarHBondContact O-N 2.89Å; R471-F473 VanDerWaalsContact O-N 3.15Å
472	P	84.1	Confident	66.5	Low	27 Å²	27	98.7 Å²	98.7	18%	0.175	52%	0.521	C	S	.	.	S	Bend	trans	-61.6	-20.3	177.7	-23.8	33.2	0	0	0	114.2	E281 R437 A438 W470	E281-P472 HydrophobicContact CG-CG 4.14Å; R437-P472 CarbonylContact C-O 3.52Å; R437-P472 WeakPolarHBondContact CA-O 3.36Å; A438-P472 PolarHBondContact N-O 2.73Å; W470-P472 HydrophobicContact CH2-CB 4.1Å; W470-P472 HydrophobicContact CH2-CG 4.06Å; W470-P472 HydrophobicContact CZ3-CB 4.4Å; W470-P472 HydrophobicContact CZ3-CG 3.85Å
473	F	90.1	Very high	68.7	Low	4 Å²	4	89.9 Å²	89.9	2%	0.018	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	142.2	179.4	-71.7	-84.8	0	0	0	112.1	W279 A283 F346 I435 L436 R437 R471 M529	W279-F473 HydrophobicContact CE3-CB 4.11Å; W279-F473 AromaticContact CE3-CD2 3.79Å; W279-F473 HydrophobicContact CE3-CD2 3.79Å; W279-F473 HydrophobicContact CE3-CE2 4.42Å; W279-F473 AromaticContact CE3-CG 3.91Å; W279-F473 HydrophobicContact CE3-CG 3.91Å; W279-F473 HydrophobicContact CZ3-CB 4.13Å; W279-F473 HydrophobicContact CZ3-CD2 4.48Å; W279-F473 HydrophobicContact CZ3-CG 4.15Å; W279-F473 WeakPolarHBondContact O-CD2 3.43Å; A283-F473 HydrophobicContact CB-CE2 4Å; A283-F473 HydrophobicContact CB-CZ 3.77Å; F346-F473 HydrophobicContact CB-CE1 3.96Å; F346-F473 HydrophobicContact CD1-CE1 4.14Å; F346-F473 AromaticContact CD2-CE1 3.75Å; F346-F473 HydrophobicContact CD2-CE1 3.75Å; F346-F473 HydrophobicContact CD2-CZ 4.43Å; F346-F473 HydrophobicContact CE2-CE1 4.23Å; F346-F473 AromaticContact CG-CE1 3.7Å; F346-F473 HydrophobicContact CG-CE1 3.7Å; F346-F473 HydrophobicContact CG-CZ 4.44Å; I435-F473 HydrophobicContact CG2-CD1 3.96Å; L436-F473 WeakPolarHBondContact O-CA 3.28Å; R437-F473 HydrophobicContact CB-CD1 4.19Å; R437-F473 HydrophobicContact CB-CE1 3.74Å; R437-F473 HydrophobicContact CB-CZ 4.24Å; R437-F473 HydrophobicContact CG-CE1 4.19Å; R437-F473 HydrophobicContact CG-CZ 4.18Å; R471-F473 PolarHBondContact O-N 2.89Å; R471-F473 VanDerWaalsContact O-N 3.15Å; F473-M529 HydrophobicContact CB-SD 4.33Å
474	I	89.6	Confident	71.5	Confident	75 Å²	75	85.6 Å²	85.6	39%	0.385	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	126.4	176.9	-60	175.5	0	0	0	108.6	L436 A438 R476	L436-I474 PolarHBondContact N-O 3.44Å; L436-I474 PolarHBondContact O-N 2.68Å; A438-I474 HydrophobicContact CB-CD1 3.86Å; A438-I474 HydrophobicContact CB-CG1 4.14Å; I474-R476 HydrophobicContact CG2-CG 4.21Å
475	I	91.9	Very high	74.4	Confident	14 Å²	14	83.2 Å²	83.2	7%	0.072	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127.1	173.7	-43.9	-58.8	0	0	0	109.2	I435 M529 Y530 V533	I435-I475 HydrophobicContact CB-CD1 4.36Å; I435-I475 HydrophobicContact CD1-CD1 4.5Å; I435-I475 HydrophobicContact CG1-CD1 3.98Å; I435-I475 HydrophobicContact CG2-CD1 4.03Å; I475-M529 HydrophobicContact CD1-CG 4.31Å; I475-M529 HydrophobicContact CD1-SD 4.13Å; I475-M529 HydrophobicContact CG1-CG 3.9Å; I475-M529 WeakPolarHBondContact CG1-O 3.2Å; I475-M529 HydrophobicContact CG1-SD 4.38Å; I475-Y530 HydrophobicContact CB-CD1 4.48Å; I475-Y530 HydrophobicContact CB-CE1 4.49Å; I475-Y530 HydrophobicContact CD1-CD1 4.24Å; I475-Y530 HydrophobicContact CD1-CE1 3.58Å; I475-Y530 HydrophobicContact CD1-CE2 4.17Å; I475-Y530 HydrophobicContact CG1-CD1 3.88Å; I475-Y530 HydrophobicContact CG1-CE1 3.75Å; I475-Y530 HydrophobicContact CG1-CE2 4.44Å; I475-Y530 HydrophobicContact CG1-CG 4.27Å; I475-Y530 HydrophobicContact CG2-CD1 3.99Å; I475-Y530 HydrophobicContact CG2-CE1 3.93Å; I475-V533 HydrophobicContact CG2-CG2 3.85Å
476	R	89.6	Confident	77.3	Confident	160 Å²	160	77 Å²	77	60%	0.604	40%	0.4	S	S	*	.			trans	-124.3	86.5	172.9	-65.9	-161.7	-174.7	173.6	-0.1	109.3	W434 L436 I474	W434-R476 WeakPolarHBondContact CA-O 3.37Å; W434-R476 PolarHBondContact O-N 3.04Å; L436-R476 HydrophobicContact CD1-CB 4.43Å; L436-R476 HydrophobicContact CD1-CG 4Å; I474-R476 HydrophobicContact CG2-CG 4.21Å
477	P	87.9	Confident	80.1	Confident	31 Å²	31	69.9 Å²	69.9	20%	0.201	37%	0.366	C	S	.	.			trans	-69.2	151.8	179.3	29.5	-32.6	0	0	0	111.3	W434 K532 V533	W434-P477 HydrophobicContact CD2-CB 4.11Å; W434-P477 HydrophobicContact CE3-CB 3.68Å; W434-P477 HydrophobicContact CH2-CB 4.07Å; W434-P477 HydrophobicContact CZ2-CB 4.46Å; W434-P477 HydrophobicContact CZ3-CB 3.66Å; P477-K532 VanDerWaalsContact CG-O 3.3Å; P477-K532 WeakPolarHBondContact CG-O 3.3Å; P477-V533 HydrophobicContact CB-CG2 4.1Å; P477-V533 HydrophobicContact CG-CG2 4.12Å
478	T	81.6	Confident	82.9	Confident	85 Å²	85	61.4 Å²	61.4	52%	0.521	33%	0.327	S	S	.	.			trans	-104.3	116	174.5	-53.7	0	0	0	0	107.9	W434 S480 H534	W434-T478 VanDerWaalsContact CE2-N 3.28Å; W434-T478 VanDerWaalsContact CZ2-O 3.3Å; W434-T478 WeakPolarHBondContact CZ2-O 3.41Å; W434-T478 PolarHBondContact NE1-OG1 3.07Å; W434-T478 VanDerWaalsContact NE1-OG1 3.15Å; T478-S480 PolarHBondContact O-N 2.81Å; T478-H534 PolarHBondContact O-CE1 3.05Å; T478-H534 PolarHBondContact O-NE2 2.77Å
479	P	73	Confident	85.3	Confident	114 Å²	114	57.9 Å²	57.9	74%	0.74	29%	0.29	S	S	*	.			trans	-52	122.6	-177.4	-29.5	36.7	0	0	0	113.2	H534	P479-H534 VanDerWaalsContact CA-CE1 3.42Å; P479-H534 WeakPolarHBondContact CA-CE1 3.35Å
480	S	80.1	Confident	87.3	Confident	36 Å²	36	50.5 Å²	50.5	25%	0.252	26%	0.263	S	S	.	.			trans	-148.6	124.1	171.3	179.8	0	0	0	0	110.1	T478 L482 M483 H534	T478-S480 PolarHBondContact O-N 2.81Å; S480-L482 PolarHBondContact O-N 2.85Å; S480-M483 PolarHBondContact O-N 2.98Å; S480-H534 PolarHBondContact N-NE2 3.03Å
481	P	76.2	Confident	88.7	Confident	117 Å²	117	48.9 Å²	48.9	76%	0.76	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-23.2	178.7	29.3	-34.8	0	0	0	112.4	M483 N535	P481-M483 VanDerWaalsContact C-N 3.34Å; P481-N535 PolarHBondContact O-ND2 3.17Å
482	L	81.1	Confident	89.4	Confident	147 Å²	147	46.1 Å²	46.1	77%	0.77	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-11.5	179.4	-60.6	177.2	0	0	0	113.4	A427 S480	A427-L482 WeakPolarHBondContact CB-O 3.27Å; S480-L482 PolarHBondContact O-N 2.85Å
483	M	87.9	Confident	89.5	Confident	28 Å²	28	53 Å²	53	14%	0.138	28%	0.279	C	S	.	.			trans	-88.9	142.2	176.9	-68.5	-172.7	76.9	0	0	110.8	P431 W434 S480 P481 P485 N535	P431-M483 HydrophobicContact CG-CE 4.39Å; W434-M483 HydrophobicContact CH2-CE 3.73Å; W434-M483 HydrophobicContact CH2-SD 3.74Å; W434-M483 HydrophobicContact CZ2-CE 3.8Å; W434-M483 HydrophobicContact CZ2-SD 3.54Å; W434-M483 VanDerWaalsContact CZ2-SD 3.54Å; W434-M483 HydrophobicContact CZ3-CE 4.48Å; S480-M483 PolarHBondContact O-N 2.98Å; P481-M483 VanDerWaalsContact C-N 3.34Å; M483-P485 HydrophobicContact CB-CG 4.18Å; M483-N535 WeakPolarHBondContact O-CB 3.32Å; M483-N535 PolarHBondContact O-ND2 2.91Å
484	K	93.6	Very high	89.3	Confident	68 Å²	68	53.7 Å²	53.7	30%	0.296	28%	0.284	S	S	.	.			trans	-129.8	63.7	175.6	-68.2	171.9	176.1	172.1	0	108.5	A427 L486 N535 E599	A427-K484 CarbonylContact O-C 3.58Å; A427-K484 PolarHBondContact O-N 3.19Å; K484-L486 PolarHBondContact O-N 3.27Å; K484-N535 CarbonylContact C-O 3.56Å; K484-N535 WeakPolarHBondContact CA-O 3.3Å; K484-E599 HydrophobicContact CD-CG 3.88Å; K484-E599 VanDerWaalsContact CD-O 3.29Å; K484-E599 WeakPolarHBondContact CD-O 3.15Å; K484-E599 PolarHBondContact NZ-O 3.18Å
485	P	95.2	Very high	88.7	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.272	C	S	.	.			trans	-64	136.1	-162.9	-19.2	33.2	0	0	0	111.5	I430 W434 M483 V533 H534 N535 L536 R537	I430-P485 HydrophobicContact CD1-CB 4.08Å; I430-P485 HydrophobicContact CG1-CB 3.67Å; W434-P485 HydrophobicContact CH2-CG 4Å; W434-P485 HydrophobicContact CZ3-CB 4.28Å; W434-P485 HydrophobicContact CZ3-CG 3.84Å; M483-P485 HydrophobicContact CB-CG 4.18Å; P485-V533 HydrophobicContact CB-CG1 3.86Å; P485-V533 HydrophobicContact CG-CG1 3.7Å; P485-H534 WeakPolarHBondContact CD-O 3.47Å; P485-N535 WeakPolarHBondContact CD-O 3.32Å; P485-L536 CarbonylContact O-C 3.53Å; P485-L536 WeakPolarHBondContact O-CA 3.5Å; P485-L536 WeakPolarHBondContact O-CD1 3.47Å; P485-R537 PolarHBondContact O-N 2.95Å
486	L	97.8	Very high	88	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	140.4	-170.9	-176.4	58.7	0	0	0	113	V428 K484 V488 L510 Q514 R537 L539 L595 V598	V428-L486 HydrophobicContact CB-CB 3.97Å; V428-L486 HydrophobicContact CG1-CB 4.46Å; V428-L486 PolarHBondContact O-N 3.01Å; K484-L486 PolarHBondContact O-N 3.27Å; L486-V488 HydrophobicContact CD2-CG2 3.83Å; L486-V488 HydrophobicContact CG-CG2 3.92Å; L486-L510 HydrophobicContact CD2-CD1 4.25Å; L486-Q514 PolarHBondContact O-NE2 2.74Å; L486-R537 WeakPolarHBondContact CA-O 3.36Å; L486-R537 HydrophobicContact CD1-CB 4.1Å; L486-L539 HydrophobicContact CD1-CB 4Å; L486-L595 HydrophobicContact CD2-CD2 3.52Å; L486-V598 HydrophobicContact CD1-CG1 3.58Å; L486-V598 HydrophobicContact CD2-CG1 3.87Å; L486-V598 HydrophobicContact CG-CG1 4.35Å
487	L	98	Very high	87.4	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.6	156.3	-55.6	-180	0	0	0	109.3	I430 F489 F516 L527 Y530 L536 R537 I538 L539	I430-L487 HydrophobicContact CD1-CD2 4.17Å; L487-F489 HydrophobicContact CB-CE2 4.19Å; L487-F489 HydrophobicContact CD1-CE2 4.47Å; L487-F489 HydrophobicContact CD1-CZ 4.4Å; L487-F516 HydrophobicContact CD2-CE2 4.3Å; L487-L527 HydrophobicContact CD1-CD2 4.29Å; L487-Y530 HydrophobicContact CD1-CD2 4.27Å; L487-Y530 HydrophobicContact CD1-CG 4.15Å; L487-Y530 HydrophobicContact CD2-CD1 4Å; L487-Y530 HydrophobicContact CD2-CD2 3.81Å; L487-Y530 HydrophobicContact CD2-CE1 4.24Å; L487-Y530 HydrophobicContact CD2-CE2 4.03Å; L487-Y530 HydrophobicContact CD2-CG 3.78Å; L487-L536 HydrophobicContact CD1-CD1 4.22Å; L487-L536 HydrophobicContact CD1-CD2 4.16Å; L487-L536 HydrophobicContact CD2-CD1 4.36Å; L487-L536 HydrophobicContact CG-CD1 3.85Å; L487-R537 PolarHBondContact N-O 3.44Å; L487-I538 CarbonylContact O-C 3.55Å; L487-I538 WeakPolarHBondContact O-CA 3.41Å; L487-L539 PolarHBondContact O-N 3.2Å
488	V	98.4	Very high	87.2	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.4	175.9	-174.8	0	0	0	0	108.9	L486 V490 F506 L510 Q514 F516 L539	L486-V488 HydrophobicContact CD2-CG2 3.83Å; L486-V488 HydrophobicContact CG-CG2 3.92Å; V488-V490 HydrophobicContact CG1-CG2 3.85Å; V488-F506 HydrophobicContact CG1-CD1 4.18Å; V488-F506 HydrophobicContact CG1-CD2 3.89Å; V488-F506 HydrophobicContact CG1-CE1 4.27Å; V488-F506 HydrophobicContact CG1-CE2 3.98Å; V488-F506 HydrophobicContact CG1-CG 3.99Å; V488-F506 HydrophobicContact CG1-CZ 4.18Å; V488-F506 HydrophobicContact CG2-CD1 3.96Å; V488-F506 HydrophobicContact CG2-CE1 4.2Å; V488-F506 HydrophobicContact CG2-CG 4.41Å; V488-L510 HydrophobicContact CG2-CD1 3.44Å; V488-L510 VanDerWaalsContact CG2-CD1 3.44Å; V488-Q514 PolarHBondContact N-O 3.4Å; V488-F516 PolarHBondContact O-N 2.77Å; V488-L539 HydrophobicContact CG1-CB 4.47Å; V488-L539 HydrophobicContact CG1-CD2 4.22Å; V488-L539 HydrophobicContact CG1-CG 4.5Å; V488-L539 HydrophobicContact CG2-CB 4.32Å; V488-L539 HydrophobicContact CG2-CD2 4.38Å
489	F	98.3	Very high	87.7	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.6	171.9	-67.4	-72.2	0	0	0	109.1	L487 F516 L518 P523 A526 L527 I538 L539 C541 I550	L487-F489 HydrophobicContact CB-CE2 4.19Å; L487-F489 HydrophobicContact CD1-CE2 4.47Å; L487-F489 HydrophobicContact CD1-CZ 4.4Å; F489-F516 HydrophobicContact CD1-CB 3.56Å; F489-F516 HydrophobicContact CD1-CG 4.27Å; F489-F516 HydrophobicContact CE1-CB 3.73Å; F489-F516 HydrophobicContact CE1-CD2 4.1Å; F489-F516 AromaticContact CE1-CG 3.94Å; F489-F516 HydrophobicContact CE1-CG 3.94Å; F489-L518 HydrophobicContact CB-CD1 4.04Å; F489-L518 HydrophobicContact CB-CD2 3.91Å; F489-L518 HydrophobicContact CB-CG 3.93Å; F489-L518 HydrophobicContact CD1-CD2 3.78Å; F489-L518 HydrophobicContact CD1-CG 4.46Å; F489-L518 HydrophobicContact CG-CD2 4.11Å; F489-P523 HydrophobicContact CD1-CB 4Å; F489-P523 HydrophobicContact CE1-CB 3.76Å; F489-P523 HydrophobicContact CE2-CB 4.4Å; F489-P523 HydrophobicContact CG-CB 4.45Å; F489-P523 HydrophobicContact CZ-CB 3.98Å; F489-A526 HydrophobicContact CE1-CB 3.71Å; F489-A526 HydrophobicContact CZ-CB 3.82Å; F489-L527 HydrophobicContact CE2-CD2 3.96Å; F489-L527 HydrophobicContact CE2-CG 4.3Å; F489-L527 HydrophobicContact CZ-CD2 4.04Å; F489-L527 HydrophobicContact CZ-CG 3.99Å; F489-I538 HydrophobicContact CD2-CG2 3.71Å; F489-I538 HydrophobicContact CE2-CG2 3.98Å; F489-L539 PolarHBondContact N-O 2.92Å; F489-C541 PolarHBondContact O-N 3.06Å; F489-I550 HydrophobicContact CB-CD1 3.77Å; F489-I550 HydrophobicContact CD2-CD1 4.06Å; F489-I550 HydrophobicContact CG-CD1 4.12Å
490	V	97.2	Very high	88.4	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.3	-178.9	-170.3	0	0	0	0	109.8	V488 P492 I502 I503 F506 F516 L518 C541	V488-V490 HydrophobicContact CG1-CG2 3.85Å; V490-P492 WeakPolarHBondContact O-CD 3.36Å; V490-I502 HydrophobicContact CG1-CG2 4.14Å; V490-I503 HydrophobicContact CG1-CB 4.44Å; V490-I503 HydrophobicContact CG2-CB 4.44Å; V490-I503 HydrophobicContact CG2-CG1 4.44Å; V490-F506 HydrophobicContact CG2-CD2 4.5Å; V490-F516 PolarHBondContact N-O 3.1Å; V490-L518 PolarHBondContact O-N 3.34Å; V490-C541 HydrophobicContact CB-CB 4.35Å; V490-C541 HydrophobicContact CG1-CB 4.17Å; V490-C541 HydrophobicContact CG2-CB 4.14Å
491	N	94.4	Very high	88.8	Confident	41 Å²	41	45.2 Å²	45.2	22%	0.219	25%	0.248	C	C	.	.			trans	-86.1	110	163.4	-178.6	-15.6	0	0	0	108.3	K493 S494 L518 C541 T546	N491-K493 VanDerWaalsContact C-N 3.26Å; N491-K493 PolarHBondContact O-N 2.97Å; N491-K493 PolarHBondContact OD1-N 2.91Å; N491-S494 WeakPolarHBondContact CB-OG 3.33Å; N491-S494 PolarHBondContact ND2-OG 2.94Å; N491-S494 PolarHBondContact O-N 2.87Å; N491-L518 HydrophobicContact CB-CD1 4.29Å; N491-C541 PolarHBondContact N-O 3.1Å; N491-T546 HydrophobicContact CB-CG2 4.06Å; N491-T546 PolarHBondContact ND2-OG1 3.45Å
492	P	90.7	Very high	89.6	Confident	22 Å²	22	39.7 Å²	39.7	14%	0.143	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-28.9	-171.8	-22.1	33.5	0	0	0	114.1	V490 A500 D517	V490-P492 WeakPolarHBondContact O-CD 3.36Å; P492-A500 HydrophobicContact CB-CB 4.31Å; P492-A500 PolarHBondContact O-N 3.05Å; P492-A500 VanDerWaalsContact O-N 3.09Å; P492-D517 VanDerWaalsContact CD-OD1 3.28Å; P492-D517 WeakPolarHBondContact CD-OD1 3.44Å; P492-D517 VanDerWaalsContact CG-CG 3.41Å; P492-D517 WeakPolarHBondContact CG-OD1 3.31Å; P492-D517 WeakPolarHBondContact CG-OD2 3.48Å
493	K	86.1	Confident	90.2	Very high	172 Å²	172	33.6 Å²	33.6	75%	0.748	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-28.7	-177.3	-63.2	-174.3	178.2	-175.6	0	112.5	N491 N497	N491-K493 VanDerWaalsContact C-N 3.26Å; N491-K493 PolarHBondContact O-N 2.97Å; N491-K493 PolarHBondContact OD1-N 2.91Å; K493-N497 PolarHBondContact O-N 3.3Å
494	S	85.9	Confident	90.4	Very high	17 Å²	17	34.8 Å²	34.8	12%	0.119	19%	0.185	C	C	.	.	H	α-helix	trans	-59.7	142	-173.9	-59.7	0	0	0	0	113	N491 Q498 G499	N491-S494 WeakPolarHBondContact CB-OG 3.33Å; N491-S494 PolarHBondContact ND2-OG 2.94Å; N491-S494 PolarHBondContact O-N 2.87Å; S494-Q498 PolarHBondContact O-N 3.21Å; S494-G499 PolarHBondContact O-N 3.44Å
495	G	78.1	Confident	90.4	Very high	12 Å²	12	33.5 Å²	33.5	12%	0.124	19%	0.185	C	C	.	.	H	α-helix	trans	71.3	38.2	174.4	0	0	0	0	0	114.4	Q498 L570	G495-Q498 WeakPolarHBondContact O-CB 3.27Å; G495-Q498 WeakPolarHBondContact O-CG 3.09Å; G495-Q498 PolarHBondContact O-N 3.21Å; G495-L570 WeakPolarHBondContact CA-O 3.43Å; G495-L570 PolarHBondContact N-O 2.98Å
496	G	75.9	Confident	90.5	Very high	39 Å²	39	33.5 Å²	33.5	40%	0.402	19%	0.185	S	C	.	.	H	α-helix	trans	62.1	47.8	-176.7	0	0	0	0	0	111.8	Q498 N665	G496-Q498 VanDerWaalsContact C-N 3.27Å; G496-Q498 PolarHBondContact O-N 3.47Å; G496-N665 WeakPolarHBondContact CA-O 3.31Å
497	N	77.3	Confident	90.4	Very high	86 Å²	86	33.8 Å²	33.8	46%	0.46	19%	0.187	S	C	.	.	H	α-helix	trans	64	18.5	-174.6	-53.9	-66.4	0	0	0	115.7	K493 G499 A500 K501	K493-N497 PolarHBondContact O-N 3.3Å; N497-G499 PolarHBondContact O-N 3.04Å; N497-A500 PolarHBondContact O-N 2.93Å; N497-K501 PolarHBondContact O-N 2.91Å
498	Q	85.4	Confident	90.3	Very high	37 Å²	37	35.7 Å²	35.7	17%	0.173	19%	0.194	C	C	.	.	H	α-helix	trans	-58.1	-34.9	167.8	-81	172.8	16.2	0	0	112.1	S494 G495 G496 A500 K501 I502 L570	S494-Q498 PolarHBondContact O-N 3.21Å; G495-Q498 WeakPolarHBondContact O-CB 3.27Å; G495-Q498 WeakPolarHBondContact O-CG 3.09Å; G495-Q498 PolarHBondContact O-N 3.21Å; G496-Q498 VanDerWaalsContact C-N 3.27Å; G496-Q498 PolarHBondContact O-N 3.47Å; Q498-A500 VanDerWaalsContact C-N 3.33Å; Q498-A500 PolarHBondContact O-N 2.74Å; Q498-K501 WeakPolarHBondContact O-CB 3.47Å; Q498-K501 PolarHBondContact O-N 3.11Å; Q498-I502 PolarHBondContact O-N 3.21Å; Q498-L570 HydrophobicContact CB-CD2 4.44Å
499	G	90.2	Very high	90.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-54.5	-45.5	173.9	0	0	0	0	0	113.3	S494 N497 K501 I502 I503	S494-G499 PolarHBondContact O-N 3.44Å; N497-G499 PolarHBondContact O-N 3.04Å; G499-K501 VanDerWaalsContact C-N 3.27Å; G499-K501 PolarHBondContact O-N 3.27Å; G499-I502 PolarHBondContact O-N 3.05Å; G499-I503 PolarHBondContact O-N 3.37Å; G499-I503 VanDerWaalsContact O-N 3.11Å
500	A	88.1	Confident	90	Very high	39 Å²	39	38.7 Å²	38.7	32%	0.322	21%	0.206	S	C	.	.	H	α-helix	trans	-67	-22	177	0	0	0	0	0	114.2	P492 N497 Q498 Q504	P492-A500 HydrophobicContact CB-CB 4.31Å; P492-A500 PolarHBondContact O-N 3.05Å; P492-A500 VanDerWaalsContact O-N 3.09Å; N497-A500 PolarHBondContact O-N 2.93Å; Q498-A500 VanDerWaalsContact C-N 3.33Å; Q498-A500 PolarHBondContact O-N 2.74Å; A500-Q504 PolarHBondContact O-NE2 3.06Å
501	K	88.6	Confident	90	Very high	124 Å²	124	38.7 Å²	38.7	54%	0.539	21%	0.206	S	C	.	.	H	α-helix	trans	-78.2	-52.4	169	-59.7	-179.3	-175.5	174.8	0	110.8	N497 Q498 G499 I503 Q504	N497-K501 PolarHBondContact O-N 2.91Å; Q498-K501 WeakPolarHBondContact O-CB 3.47Å; Q498-K501 PolarHBondContact O-N 3.11Å; G499-K501 VanDerWaalsContact C-N 3.27Å; G499-K501 PolarHBondContact O-N 3.27Å; K501-I503 PolarHBondContact O-N 2.8Å; K501-Q504 WeakPolarHBondContact O-CB 3.46Å; K501-Q504 PolarHBondContact O-N 3.06Å; K501-Q504 VanDerWaalsContact O-N 3.17Å
502	I	93.5	Very high	90.1	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-72.1	-28	-167.1	-152.5	177	0	0	0	113.4	V490 Q498 G499 Q504 S505 F506 L568 L570 Y586 V591 I594	V490-I502 HydrophobicContact CG1-CG2 4.14Å; Q498-I502 PolarHBondContact O-N 3.21Å; G499-I502 PolarHBondContact O-N 3.05Å; I502-Q504 PolarHBondContact O-N 3.32Å; I502-S505 WeakPolarHBondContact O-CA 3.42Å; I502-S505 WeakPolarHBondContact O-CB 3.48Å; I502-S505 PolarHBondContact O-N 3.43Å; I502-F506 HydrophobicContact CD1-CE2 3.73Å; I502-F506 HydrophobicContact CD1-CZ 4.31Å; I502-F506 HydrophobicContact CG1-CD2 4.09Å; I502-F506 HydrophobicContact CG1-CE2 3.74Å; I502-F506 HydrophobicContact CG2-CD2 4.35Å; I502-F506 HydrophobicContact CG2-CE2 4.15Å; I502-F506 WeakPolarHBondContact O-CD2 3.36Å; I502-F506 PolarHBondContact O-N 3.38Å; I502-L568 HydrophobicContact CD1-CD2 3.34Å; I502-L570 HydrophobicContact CG2-CD1 4.49Å; I502-Y586 HydrophobicContact CD1-CD2 4.32Å; I502-Y586 HydrophobicContact CD1-CE1 4.05Å; I502-Y586 HydrophobicContact CD1-CE2 3.68Å; I502-V591 HydrophobicContact CD1-CG2 4.15Å; I502-V591 HydrophobicContact CG1-CG2 3.93Å; I502-I594 HydrophobicContact CD1-CD1 4.49Å
503	I	93.4	Very high	90.3	Very high	19 Å²	19	36.1 Å²	36.1	10%	0.097	19%	0.19	C	C	.	.	H	α-helix	trans	-54.9	-38.4	172	-164	172.1	0	0	0	111.5	V490 G499 K501 S505 F506 L507 V515 D517	V490-I503 HydrophobicContact CG1-CB 4.44Å; V490-I503 HydrophobicContact CG2-CB 4.44Å; V490-I503 HydrophobicContact CG2-CG1 4.44Å; G499-I503 PolarHBondContact O-N 3.37Å; G499-I503 VanDerWaalsContact O-N 3.11Å; K501-I503 PolarHBondContact O-N 2.8Å; I503-S505 PolarHBondContact O-N 2.79Å; I503-F506 PolarHBondContact O-N 2.85Å; I503-L507 HydrophobicContact CG1-CD1 4.48Å; I503-L507 WeakPolarHBondContact O-CB 3.43Å; I503-L507 WeakPolarHBondContact O-CG 3.5Å; I503-L507 PolarHBondContact O-N 2.83Å; I503-V515 HydrophobicContact CD1-CG1 4.48Å; I503-V515 HydrophobicContact CG1-CG1 3.73Å; I503-D517 HydrophobicContact CD1-CB 4.01Å
504	Q	92.6	Very high	90.8	Very high	52 Å²	52	27.9 Å²	27.9	24%	0.243	16%	0.155	C	C	.	.	H	α-helix	trans	-69.7	-18	176.9	-54.1	-177.4	40.4	0	0	113.5	F291 A321 K324 A500 K501 I502	F291-Q504 HydrophobicContact CD1-CG 3.77Å; F291-Q504 HydrophobicContact CD2-CG 4Å; F291-Q504 HydrophobicContact CE1-CG 3.78Å; F291-Q504 HydrophobicContact CE2-CG 4.02Å; F291-Q504 HydrophobicContact CG-CG 3.88Å; F291-Q504 HydrophobicContact CZ-CG 3.91Å; A321-Q504 HydrophobicContact CB-CB 4.32Å; K324-Q504 WeakPolarHBondContact CE-O 3.04Å; K324-Q504 PolarHBondContact NZ-O 3.35Å; A500-Q504 PolarHBondContact O-NE2 3.06Å; K501-Q504 WeakPolarHBondContact O-CB 3.46Å; K501-Q504 PolarHBondContact O-N 3.06Å; K501-Q504 VanDerWaalsContact O-N 3.17Å; I502-Q504 PolarHBondContact O-N 3.32Å
505	S	93.8	Very high	91.3	Very high	41 Å²	41	27.5 Å²	27.5	29%	0.287	15%	0.151	S	C	.	.	H	α-helix	trans	-88.1	-42	174.8	-67.5	0	0	0	0	111	I502 I503 W508 Y509	I502-S505 WeakPolarHBondContact O-CA 3.42Å; I502-S505 WeakPolarHBondContact O-CB 3.48Å; I502-S505 PolarHBondContact O-N 3.43Å; I503-S505 PolarHBondContact O-N 2.79Å; S505-W508 WeakPolarHBondContact O-CB 3.33Å; S505-W508 PolarHBondContact O-N 3.23Å; S505-W508 VanDerWaalsContact O-N 3.15Å; S505-Y509 WeakPolarHBondContact O-CD2 3.42Å; S505-Y509 PolarHBondContact O-N 2.8Å; S505-Y509 VanDerWaalsContact O-N 3.15Å
506	F	96.9	Very high	92.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62	-42.9	172.1	-73.7	-68.1	0	0	0	112.4	V488 V490 I502 I503 W508 Y509 L510 V515 L539 L568 V591 I594 L595	V488-F506 HydrophobicContact CG1-CD1 4.18Å; V488-F506 HydrophobicContact CG1-CD2 3.89Å; V488-F506 HydrophobicContact CG1-CE1 4.27Å; V488-F506 HydrophobicContact CG1-CE2 3.98Å; V488-F506 HydrophobicContact CG1-CG 3.99Å; V488-F506 HydrophobicContact CG1-CZ 4.18Å; V488-F506 HydrophobicContact CG2-CD1 3.96Å; V488-F506 HydrophobicContact CG2-CE1 4.2Å; V488-F506 HydrophobicContact CG2-CG 4.41Å; V490-F506 HydrophobicContact CG2-CD2 4.5Å; I502-F506 HydrophobicContact CD1-CE2 3.73Å; I502-F506 HydrophobicContact CD1-CZ 4.31Å; I502-F506 HydrophobicContact CG1-CD2 4.09Å; I502-F506 HydrophobicContact CG1-CE2 3.74Å; I502-F506 HydrophobicContact CG2-CD2 4.35Å; I502-F506 HydrophobicContact CG2-CE2 4.15Å; I502-F506 WeakPolarHBondContact O-CD2 3.36Å; I502-F506 PolarHBondContact O-N 3.38Å; I503-F506 PolarHBondContact O-N 2.85Å; F506-W508 PolarHBondContact O-N 3.38Å; F506-W508 VanDerWaalsContact O-N 3.16Å; F506-Y509 PolarHBondContact O-N 2.74Å; F506-L510 HydrophobicContact CD1-CD1 4.14Å; F506-L510 WeakPolarHBondContact O-CB 3.32Å; F506-L510 PolarHBondContact O-N 3.02Å; F506-V515 HydrophobicContact CB-CG1 3.9Å; F506-V515 HydrophobicContact CB-CG2 3.81Å; F506-L539 HydrophobicContact CE1-CD2 3.8Å; F506-L539 HydrophobicContact CE2-CD2 4.5Å; F506-L539 HydrophobicContact CZ-CD2 3.55Å; F506-L568 HydrophobicContact CE2-CD2 4.48Å; F506-L568 HydrophobicContact CZ-CD2 4.49Å; F506-V591 HydrophobicContact CD1-CG1 3.73Å; F506-V591 HydrophobicContact CE1-CG1 3.61Å; F506-V591 HydrophobicContact CG-CG1 4.42Å; F506-V591 HydrophobicContact CZ-CG1 4.21Å; F506-I594 HydrophobicContact CZ-CG2 4.45Å; F506-L595 HydrophobicContact CE1-CD2 4.27Å
507	L	95.9	Very high	93.1	Very high	6 Å²	6	27.5 Å²	27.5	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-57.7	-28.2	174.5	-71.5	173	0	0	0	113.3	V277 I289 F291 A321 K343 I503 P512 V515	V277-L507 HydrophobicContact CG2-CD2 4.25Å; I289-L507 HydrophobicContact CD1-CD2 4.23Å; I289-L507 HydrophobicContact CG2-CD1 4.38Å; F291-L507 HydrophobicContact CE2-CD1 3.96Å; F291-L507 HydrophobicContact CZ-CD1 4.16Å; A321-L507 HydrophobicContact CB-CB 3.87Å; A321-L507 HydrophobicContact CB-CD1 3.78Å; A321-L507 HydrophobicContact CB-CG 4.5Å; K343-L507 WeakPolarHBondContact CE-O 3.24Å; K343-L507 PolarHBondContact NZ-O 2.96Å; I503-L507 HydrophobicContact CG1-CD1 4.48Å; I503-L507 WeakPolarHBondContact O-CB 3.43Å; I503-L507 WeakPolarHBondContact O-CG 3.5Å; I503-L507 PolarHBondContact O-N 2.83Å; L507-P512 HydrophobicContact CD2-CB 3.82Å; L507-P512 HydrophobicContact CD2-CG 4.48Å; L507-V515 HydrophobicContact CD2-CB 3.92Å; L507-V515 HydrophobicContact CD2-CG1 4.39Å; L507-V515 HydrophobicContact CD2-CG2 4.21Å; L507-V515 HydrophobicContact CG-CB 4.42Å; L507-V515 HydrophobicContact CG-CG1 4.42Å
508	W	94.6	Very high	93.9	Very high	41 Å²	41	23.6 Å²	23.6	16%	0.155	12%	0.117	C	C	.	.	H	α-helix	trans	-75.4	-51.5	174.8	165.7	-117.8	0	0	0	112	A321 K324 K343 K401 S505 F506	A321-W508 WeakPolarHBondContact O-CA 3.45Å; A321-W508 WeakPolarHBondContact O-CB 3.45Å; K324-W508 HydrophobicContact CB-CE3 4.41Å; K324-W508 HydrophobicContact CB-CZ3 4.49Å; K324-W508 HydrophobicContact CG-CB 4.48Å; K324-W508 HydrophobicContact CG-CD2 3.81Å; K324-W508 HydrophobicContact CG-CE3 3.67Å; K324-W508 HydrophobicContact CG-CG 4.19Å; K324-W508 HydrophobicContact CG-CZ3 4.22Å; K343-W508 PolarHBondContact NZ-O 3.49Å; K401-W508 HydrophobicContact CD-CH2 4.24Å; K401-W508 HydrophobicContact CD-CZ2 3.65Å; K401-W508 VanDerWaalsContact NZ-CD2 3.33Å; K401-W508 VanDerWaalsContact NZ-CE2 3.28Å; K401-W508 PolarHBondContact NZ-O 2.85Å; S505-W508 WeakPolarHBondContact O-CB 3.33Å; S505-W508 PolarHBondContact O-N 3.23Å; S505-W508 VanDerWaalsContact O-N 3.15Å; F506-W508 PolarHBondContact O-N 3.38Å; F506-W508 VanDerWaalsContact O-N 3.16Å
509	Y	95.4	Very high	94.2	Very high	63 Å²	63	26.1 Å²	26.1	25%	0.247	14%	0.139	C	C	.	.	H	α-helix	trans	-72.7	-50.6	-177	-74.2	-74.1	0	0	0	112.9	S505 F506 V591 L595	S505-Y509 WeakPolarHBondContact O-CD2 3.42Å; S505-Y509 PolarHBondContact O-N 2.8Å; S505-Y509 VanDerWaalsContact O-N 3.15Å; F506-Y509 PolarHBondContact O-N 2.74Å; Y509-V591 HydrophobicContact CD2-CB 3.93Å; Y509-V591 HydrophobicContact CD2-CG1 3.65Å; Y509-V591 HydrophobicContact CE2-CB 3.95Å; Y509-V591 HydrophobicContact CE2-CG1 4.19Å; Y509-V591 HydrophobicContact CG-CG1 4.38Å; Y509-L595 HydrophobicContact CG-CD1 4.3Å
510	L	96.8	Very high	94.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-86.4	176.3	-175.4	-60	-179.3	0	0	0	112.9	K343 V428 V429 L486 V488 F506 Q514 V515 L595	K343-L510 PolarHBondContact NZ-O 2.98Å; V428-L510 HydrophobicContact CG2-CD2 4.29Å; V429-L510 HydrophobicContact CG2-CD2 3.85Å; L486-L510 HydrophobicContact CD2-CD1 4.25Å; V488-L510 HydrophobicContact CG2-CD1 3.44Å; V488-L510 VanDerWaalsContact CG2-CD1 3.44Å; F506-L510 HydrophobicContact CD1-CD1 4.14Å; F506-L510 WeakPolarHBondContact O-CB 3.32Å; F506-L510 PolarHBondContact O-N 3.02Å; L510-Q514 HydrophobicContact CB-CB 4.41Å; L510-Q514 HydrophobicContact CD1-CB 4.45Å; L510-V515 HydrophobicContact CB-CG2 4.3Å; L510-V515 HydrophobicContact CD1-CG2 4.35Å; L510-L595 HydrophobicContact CD1-CD2 4.3Å; L510-L595 HydrophobicContact CD2-CD1 4.06Å; L510-L595 HydrophobicContact CD2-CD2 3.97Å; L510-L595 HydrophobicContact CG-CD1 4.49Å; L510-L595 HydrophobicContact CG-CD2 4.38Å
511	N	96.8	Very high	93.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.179	C	C	.	.			trans	-68.1	130.6	161.8	-179.5	-15.4	0	0	0	108.5	S345 W399 I430 R513 Q514	S345-N511 WeakPolarHBondContact CA-OD1 3.26Å; S345-N511 WeakPolarHBondContact CB-OD1 3.48Å; S345-N511 PolarHBondContact O-ND2 2.89Å; S345-N511 PolarHBondContact O-OD1 2.85Å; W399-N511 HydrophobicContact CH2-CB 3.71Å; W399-N511 HydrophobicContact CZ3-CB 3.99Å; I430-N511 WeakPolarHBondContact O-CB 3.48Å; I430-N511 PolarHBondContact O-ND2 3.11Å; N511-R513 PolarHBondContact O-N 2.83Å; N511-R513 PolarHBondContact OD1-N 3.16Å; N511-Q514 HydrophobicContact CB-CG 4.1Å; N511-Q514 VanDerWaalsContact CB-OE1 3.28Å; N511-Q514 VanDerWaalsContact O-CB 3.32Å; N511-Q514 WeakPolarHBondContact O-CB 3.42Å; N511-Q514 PolarHBondContact O-N 3.21Å
512	P	96	Very high	93.9	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.019	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-50	-31.3	179	-33.3	38.2	0	0	0	114.9	V277 I289 A322 L507 Q514 V515	V277-P512 HydrophobicContact CG2-CB 3.88Å; I289-P512 HydrophobicContact CD1-CB 3.57Å; I289-P512 HydrophobicContact CD1-CG 3.91Å; A322-P512 HydrophobicContact CB-CG 3.93Å; L507-P512 HydrophobicContact CD2-CB 3.82Å; L507-P512 HydrophobicContact CD2-CG 4.48Å; P512-Q514 PolarHBondContact O-N 2.68Å; P512-V515 PolarHBondContact O-N 2.96Å
513	R	95.5	Very high	94.1	Very high	5 Å²	5	26.9 Å²	26.9	2%	0.019	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-76.2	4.7	178.2	-75.5	-176.4	-170.2	-70.5	-4.6	115.3	V277 D278 W279 S345 I435 N511 Y530	V277-R513 HydrophobicContact CG1-CG 3.74Å; D278-R513 VanDerWaalsContact O-CZ 3.22Å; D278-R513 PolarHBondContact O-NH1 3.33Å; D278-R513 PolarHBondContact O-NH2 3.31Å; W279-R513 HydrophobicContact CH2-CB 3.5Å; W279-R513 HydrophobicContact CH2-CG 3.63Å; W279-R513 HydrophobicContact CZ2-CB 3.69Å; W279-R513 HydrophobicContact CZ2-CG 3.7Å; W279-R513 WeakPolarHBondContact CZ2-O 3.48Å; W279-R513 HydrophobicContact CZ3-CB 4.38Å; W279-R513 HydrophobicContact CZ3-CG 4.15Å; S345-R513 PolarHBondContact OG-NE 2.77Å; I435-R513 HydrophobicContact CD1-CB 3.57Å; I435-R513 HydrophobicContact CD1-CG 4.47Å; N511-R513 PolarHBondContact O-N 2.83Å; N511-R513 PolarHBondContact OD1-N 3.16Å; R513-Y530 PolarHBondContact O-OH 3.42Å
514	Q	95.9	Very high	94.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-97.1	-13.5	169.1	-63.5	177.1	-102.8	0	0	113.1	V428 I430 L486 V488 L510 N511 P512	V428-Q514 PolarHBondContact O-NE2 2.92Å; I430-Q514 HydrophobicContact CB-CG 3.77Å; I430-Q514 HydrophobicContact CD1-CG 4.12Å; I430-Q514 HydrophobicContact CG1-CG 4.07Å; I430-Q514 VanDerWaalsContact N-NE2 3.18Å; L486-Q514 PolarHBondContact O-NE2 2.74Å; V488-Q514 PolarHBondContact N-O 3.4Å; L510-Q514 HydrophobicContact CB-CB 4.41Å; L510-Q514 HydrophobicContact CD1-CB 4.45Å; N511-Q514 HydrophobicContact CB-CG 4.1Å; N511-Q514 VanDerWaalsContact CB-OE1 3.28Å; N511-Q514 VanDerWaalsContact O-CB 3.32Å; N511-Q514 WeakPolarHBondContact O-CB 3.42Å; N511-Q514 PolarHBondContact O-N 3.21Å; P512-Q514 PolarHBondContact O-N 2.68Å
515	V	97	Very high	94.1	Very high	8 Å²	8	34.9 Å²	34.9	5%	0.048	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.2	-169.3	-169.2	0	0	0	0	108.7	I503 F506 L507 L510 P512	I503-V515 HydrophobicContact CD1-CG1 4.48Å; I503-V515 HydrophobicContact CG1-CG1 3.73Å; F506-V515 HydrophobicContact CB-CG1 3.9Å; F506-V515 HydrophobicContact CB-CG2 3.81Å; L507-V515 HydrophobicContact CD2-CB 3.92Å; L507-V515 HydrophobicContact CD2-CG1 4.39Å; L507-V515 HydrophobicContact CD2-CG2 4.21Å; L507-V515 HydrophobicContact CG-CB 4.42Å; L507-V515 HydrophobicContact CG-CG1 4.42Å; L510-V515 HydrophobicContact CB-CG2 4.3Å; L510-V515 HydrophobicContact CD1-CG2 4.35Å; P512-V515 PolarHBondContact O-N 2.96Å
516	F	96.3	Very high	94	Very high	25 Å²	25	33.1 Å²	33.1	11%	0.11	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131	-173.4	-68.5	-85.7	0	0	0	110.5	W279 L487 V488 F489 V490 A526 Y530	W279-F516 AromaticContact CE2-CE1 3.92Å; W279-F516 HydrophobicContact CH2-CZ 4.18Å; W279-F516 AromaticContact CZ2-CE1 3.68Å; W279-F516 HydrophobicContact CZ2-CE1 3.68Å; W279-F516 AromaticContact CZ2-CZ 3.5Å; W279-F516 HydrophobicContact CZ2-CZ 3.5Å; W279-F516 AromaticContact NE1-CE1 3.87Å; L487-F516 HydrophobicContact CD2-CE2 4.3Å; V488-F516 PolarHBondContact O-N 2.77Å; F489-F516 HydrophobicContact CD1-CB 3.56Å; F489-F516 HydrophobicContact CD1-CG 4.27Å; F489-F516 HydrophobicContact CE1-CB 3.73Å; F489-F516 HydrophobicContact CE1-CD2 4.1Å; F489-F516 AromaticContact CE1-CG 3.94Å; F489-F516 HydrophobicContact CE1-CG 3.94Å; V490-F516 PolarHBondContact N-O 3.1Å; F516-A526 HydrophobicContact CD1-CB 3.7Å; F516-A526 HydrophobicContact CD2-CB 3.99Å; F516-A526 HydrophobicContact CE1-CB 3.54Å; F516-A526 HydrophobicContact CE2-CB 3.85Å; F516-A526 HydrophobicContact CG-CB 3.92Å; F516-A526 HydrophobicContact CZ-CB 3.62Å; F516-Y530 HydrophobicContact CE2-CE2 4.19Å; F516-Y530 AromaticContact CZ-CE2 3.93Å; F516-Y530 HydrophobicContact CZ-CE2 3.93Å
517	D	94.9	Very high	94	Very high	27 Å²	27	33.1 Å²	33.1	14%	0.144	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	118.4	168.6	-179.2	-21.3	0	0	0	108.1	P492 I503 S519 Q520	P492-D517 VanDerWaalsContact CD-OD1 3.28Å; P492-D517 WeakPolarHBondContact CD-OD1 3.44Å; P492-D517 VanDerWaalsContact CG-CG 3.41Å; P492-D517 WeakPolarHBondContact CG-OD1 3.31Å; P492-D517 WeakPolarHBondContact CG-OD2 3.48Å; I503-D517 HydrophobicContact CD1-CB 4.01Å; D517-S519 VanDerWaalsContact CG-OG 3.22Å; D517-S519 PolarHBondContact O-N 3.3Å; D517-S519 WeakPolarHBondContact OD1-CB 3.49Å; D517-S519 PolarHBondContact OD1-N 2.97Å; D517-S519 PolarHBondContact OD1-OG 2.89Å; D517-S519 PolarHBondContact OD2-OG 2.85Å; D517-Q520 HydrophobicContact CB-CB 4.3Å; D517-Q520 HydrophobicContact CB-CG 4Å; D517-Q520 VanDerWaalsContact CG-NE2 3.33Å; D517-Q520 PolarHBondContact O-N 3.12Å; D517-Q520 PolarHBondContact OD2-NE2 3.36Å
518	L	94.6	Very high	93.8	Very high	4 Å²	4	35 Å²	35	2%	0.021	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-22.3	-178	-75.5	172.2	0	0	0	113.2	F489 V490 N491 Q520 G522 P523 T546 W549 I550	F489-L518 HydrophobicContact CB-CD1 4.04Å; F489-L518 HydrophobicContact CB-CD2 3.91Å; F489-L518 HydrophobicContact CB-CG 3.93Å; F489-L518 HydrophobicContact CD1-CD2 3.78Å; F489-L518 HydrophobicContact CD1-CG 4.46Å; F489-L518 HydrophobicContact CG-CD2 4.11Å; V490-L518 PolarHBondContact O-N 3.34Å; N491-L518 HydrophobicContact CB-CD1 4.29Å; L518-Q520 PolarHBondContact O-N 2.87Å; L518-G522 WeakPolarHBondContact O-CA 3.44Å; L518-G522 PolarHBondContact O-N 3.02Å; L518-G522 VanDerWaalsContact O-N 3.16Å; L518-P523 HydrophobicContact CD2-CB 3.98Å; L518-P523 HydrophobicContact CD2-CG 4.13Å; L518-T546 HydrophobicContact CD1-CG2 3.4Å; L518-T546 VanDerWaalsContact CD1-CG2 3.4Å; L518-W549 HydrophobicContact CB-CH2 4.45Å; L518-W549 HydrophobicContact CB-CZ3 3.89Å; L518-W549 HydrophobicContact CD2-CE3 4.48Å; L518-W549 HydrophobicContact CD2-CZ3 4.19Å; L518-W549 HydrophobicContact CG-CZ3 4.44Å; L518-W549 WeakPolarHBondContact O-CH2 3.39Å; L518-I550 HydrophobicContact CD1-CD1 4.41Å
519	S	90.7	Very high	93.6	Very high	89 Å²	89	34.7 Å²	34.7	62%	0.622	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-14.6	172.6	71.5	0	0	0	0	113	D517 G521	D517-S519 VanDerWaalsContact CG-OG 3.22Å; D517-S519 PolarHBondContact O-N 3.3Å; D517-S519 WeakPolarHBondContact OD1-CB 3.49Å; D517-S519 PolarHBondContact OD1-N 2.97Å; D517-S519 PolarHBondContact OD1-OG 2.89Å; D517-S519 PolarHBondContact OD2-OG 2.85Å; S519-G521 PolarHBondContact O-N 2.92Å
520	Q	87.9	Confident	93.6	Very high	104 Å²	104	31.8 Å²	31.8	49%	0.486	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	59.9	-176.7	-60.9	179.3	44.6	0	0	111.5	T276 D517 L518	T276-Q520 VanDerWaalsContact CG2-NE2 3.29Å; D517-Q520 HydrophobicContact CB-CB 4.3Å; D517-Q520 HydrophobicContact CB-CG 4Å; D517-Q520 VanDerWaalsContact CG-NE2 3.33Å; D517-Q520 PolarHBondContact O-N 3.12Å; D517-Q520 PolarHBondContact OD2-NE2 3.36Å; L518-Q520 PolarHBondContact O-N 2.87Å
521	G	82.3	Confident	93.4	Very high	66 Å²	66	37.7 Å²	37.7	68%	0.68	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	91	9.1	175.6	0	0	0	0	0	115.8	S519	S519-G521 PolarHBondContact O-N 2.92Å
522	G	92.1	Very high	93	Very high	10 Å²	10	45.6 Å²	45.6	10%	0.103	23%	0.232	C	C	.	.			trans	68.3	-171.2	175.3	0	0	0	0	0	115	L518	L518-G522 WeakPolarHBondContact O-CA 3.44Å; L518-G522 PolarHBondContact O-N 3.02Å; L518-G522 VanDerWaalsContact O-N 3.16Å
523	P	96.1	Very high	92.8	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	24%	0.235	C	C	.	.	S	Bend	trans	-80.8	-20.8	-171.2	28.7	-30.1	0	0	0	114	F489 L518 E525 A526 L527 I550 T553	F489-P523 HydrophobicContact CD1-CB 4Å; F489-P523 HydrophobicContact CE1-CB 3.76Å; F489-P523 HydrophobicContact CE2-CB 4.4Å; F489-P523 HydrophobicContact CG-CB 4.45Å; F489-P523 HydrophobicContact CZ-CB 3.98Å; L518-P523 HydrophobicContact CD2-CB 3.98Å; L518-P523 HydrophobicContact CD2-CG 4.13Å; P523-E525 PolarHBondContact O-N 3.48Å; P523-A526 PolarHBondContact O-N 2.94Å; P523-L527 HydrophobicContact CB-CD1 4.05Å; P523-L527 WeakPolarHBondContact O-CG 3.44Å; P523-L527 PolarHBondContact O-N 3.39Å; P523-I550 HydrophobicContact CB-CG1 4.16Å; P523-I550 HydrophobicContact CG-CG1 4.12Å; P523-T553 HydrophobicContact CG-CG2 4.1Å
524	R	94.9	Very high	92.5	Very high	142 Å²	142	48.3 Å²	48.3	54%	0.536	25%	0.245	S	C	.	.	H	α-helix	trans	-59.8	-48.9	-166.4	-171.9	177.6	175	-177.3	0.1	114.2	A526 L527 E528 T553 L557	R524-A526 VanDerWaalsContact C-N 3.29Å; R524-A526 PolarHBondContact O-N 2.94Å; R524-L527 PolarHBondContact O-N 3.19Å; R524-E528 VanDerWaalsContact O-CB 3.28Å; R524-E528 WeakPolarHBondContact O-CB 3.4Å; R524-E528 PolarHBondContact O-N 2.95Å; R524-T553 HydrophobicContact CB-CG2 3.76Å; R524-T553 HydrophobicContact CG-CG2 4.16Å; R524-L557 HydrophobicContact CG-CD1 4.41Å; R524-L557 HydrophobicContact CG-CD2 4.28Å
525	E	91.1	Very high	92.3	Very high	98 Å²	98	52.2 Å²	52.2	46%	0.458	27%	0.266	S	S	.	.	H	α-helix	trans	-66.1	-32.8	-177.5	-68.1	-131.4	141.8	0	0	112.6	R469 P523 M529	R469-E525 IonicContact CZ-OE1 3.14Å; R469-E525 IonicContact NH1-OE1 2.67Å; R469-E525 IonicContact NH2-OE1 3.28Å; R469-E525 PolarHBondContact NH2-OE1 3.11Å; R469-E525 IonicContact NH2-OE2 3.37Å; P523-E525 PolarHBondContact O-N 3.48Å; E525-M529 WeakPolarHBondContact O-CB 3.44Å; E525-M529 PolarHBondContact O-N 2.86Å; E525-M529 VanDerWaalsContact O-N 3.08Å
526	A	93.1	Very high	92.2	Very high	3 Å²	3	52.3 Å²	52.3	3%	0.025	27%	0.266	C	S	.	.	H	α-helix	trans	-70.7	-49.6	176.7	0	0	0	0	0	111.3	F489 F516 P523 R524 E528 M529 Y530	F489-A526 HydrophobicContact CE1-CB 3.71Å; F489-A526 HydrophobicContact CZ-CB 3.82Å; F516-A526 HydrophobicContact CD1-CB 3.7Å; F516-A526 HydrophobicContact CD2-CB 3.99Å; F516-A526 HydrophobicContact CE1-CB 3.54Å; F516-A526 HydrophobicContact CE2-CB 3.85Å; F516-A526 HydrophobicContact CG-CB 3.92Å; F516-A526 HydrophobicContact CZ-CB 3.62Å; P523-A526 PolarHBondContact O-N 2.94Å; R524-A526 VanDerWaalsContact C-N 3.29Å; R524-A526 PolarHBondContact O-N 2.94Å; A526-E528 VanDerWaalsContact C-N 3.33Å; A526-E528 PolarHBondContact O-N 2.75Å; A526-M529 WeakPolarHBondContact O-CB 3.39Å; A526-M529 PolarHBondContact O-N 3.38Å; A526-M529 VanDerWaalsContact O-N 3.08Å; A526-Y530 WeakPolarHBondContact O-CD2 3.28Å; A526-Y530 PolarHBondContact O-N 3.16Å
527	L	95.3	Very high	92.2	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.7	-44.2	177.4	-67.6	172.5	0	0	0	111.5	L487 F489 P523 R524 M529 Y530 R531 I538 T553 L554 L557	L487-L527 HydrophobicContact CD1-CD2 4.29Å; F489-L527 HydrophobicContact CE2-CD2 3.96Å; F489-L527 HydrophobicContact CE2-CG 4.3Å; F489-L527 HydrophobicContact CZ-CD2 4.04Å; F489-L527 HydrophobicContact CZ-CG 3.99Å; P523-L527 HydrophobicContact CB-CD1 4.05Å; P523-L527 WeakPolarHBondContact O-CG 3.44Å; P523-L527 PolarHBondContact O-N 3.39Å; R524-L527 PolarHBondContact O-N 3.19Å; L527-M529 VanDerWaalsContact C-N 3.33Å; L527-M529 PolarHBondContact O-N 2.78Å; L527-Y530 PolarHBondContact O-N 2.84Å; L527-R531 WeakPolarHBondContact O-CB 3.25Å; L527-R531 PolarHBondContact O-N 2.63Å; L527-I538 HydrophobicContact CD2-CD1 3.6Å; L527-I538 HydrophobicContact CD2-CG1 4.4Å; L527-T553 HydrophobicContact CD1-CG2 3.87Å; L527-L554 HydrophobicContact CD1-CD2 3.86Å; L527-L554 HydrophobicContact CD1-CG 4.18Å; L527-L554 HydrophobicContact CD2-CD2 3.96Å; L527-L554 HydrophobicContact CG-CD2 4.46Å; L527-L557 HydrophobicContact CB-CD1 3.39Å; L527-L557 HydrophobicContact CD1-CD1 4.11Å; L527-L557 HydrophobicContact CG-CD1 4.4Å
528	E	92.5	Very high	92.4	Very high	47 Å²	47	50.7 Å²	50.7	22%	0.22	26%	0.257	C	S	.	.	H	α-helix	trans	-59.4	-39.4	173.5	-174.3	82	-98	0	0	112.6	R524 A526 R531	R524-E528 VanDerWaalsContact O-CB 3.28Å; R524-E528 WeakPolarHBondContact O-CB 3.4Å; R524-E528 PolarHBondContact O-N 2.95Å; A526-E528 VanDerWaalsContact C-N 3.33Å; A526-E528 PolarHBondContact O-N 2.75Å; E528-R531 VanDerWaalsContact O-CD 3.29Å; E528-R531 WeakPolarHBondContact O-CD 3.19Å; E528-R531 WeakPolarHBondContact O-CG 3.48Å; E528-R531 WeakPolarHBondContact OE1-CD 3.35Å; E528-R531 IonicContact OE1-CZ 3.89Å; E528-R531 IonicContact OE1-NE 3.89Å; E528-R531 IonicContact OE1-NH1 3.25Å; E528-R531 PolarHBondContact OE1-NH1 2.71Å
529	M	91.2	Very high	92.6	Very high	34 Å²	34	50.5 Å²	50.5	17%	0.167	26%	0.256	C	S	.	.	H	α-helix	trans	-70.9	-37	179.1	-168.3	-172.5	-53.5	0	0	112.6	W279 F473 I475 E525 A526 L527	W279-M529 HydrophobicContact CD2-CE 4.25Å; W279-M529 HydrophobicContact CE3-CE 3.73Å; W279-M529 HydrophobicContact CE3-SD 3.89Å; W279-M529 HydrophobicContact CH2-CE 4.4Å; W279-M529 HydrophobicContact CH2-SD 3.85Å; W279-M529 HydrophobicContact CZ3-CE 3.83Å; W279-M529 HydrophobicContact CZ3-SD 3.35Å; W279-M529 WeakPolarHBondContact CZ3-SD 3.43Å; F473-M529 HydrophobicContact CB-SD 4.33Å; I475-M529 HydrophobicContact CD1-CG 4.31Å; I475-M529 HydrophobicContact CD1-SD 4.13Å; I475-M529 HydrophobicContact CG1-CG 3.9Å; I475-M529 WeakPolarHBondContact CG1-O 3.2Å; I475-M529 HydrophobicContact CG1-SD 4.38Å; E525-M529 WeakPolarHBondContact O-CB 3.44Å; E525-M529 PolarHBondContact O-N 2.86Å; E525-M529 VanDerWaalsContact O-N 3.08Å; A526-M529 WeakPolarHBondContact O-CB 3.39Å; A526-M529 PolarHBondContact O-N 3.38Å; A526-M529 VanDerWaalsContact O-N 3.08Å; L527-M529 VanDerWaalsContact C-N 3.33Å; L527-M529 PolarHBondContact O-N 2.78Å
530	Y	93.8	Very high	93	Very high	1 Å²	1	46.3 Å²	46.3	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-95.4	-1.4	-175.4	-77.9	-83.9	0	0	0	114.6	W279 I430 I435 I475 L487 R513 F516 A526 L527 K532 V533	W279-Y530 HydrophobicContact CH2-CE2 4.23Å; I430-Y530 HydrophobicContact CD1-CD1 3.77Å; I430-Y530 HydrophobicContact CD1-CE1 3.45Å; I430-Y530 VanDerWaalsContact CD1-CE1 3.45Å; I430-Y530 HydrophobicContact CG2-CE1 4.36Å; I435-Y530 WeakPolarHBondContact CD1-OH 3.5Å; I475-Y530 HydrophobicContact CB-CD1 4.48Å; I475-Y530 HydrophobicContact CB-CE1 4.49Å; I475-Y530 HydrophobicContact CD1-CD1 4.24Å; I475-Y530 HydrophobicContact CD1-CE1 3.58Å; I475-Y530 HydrophobicContact CD1-CE2 4.17Å; I475-Y530 HydrophobicContact CG1-CD1 3.88Å; I475-Y530 HydrophobicContact CG1-CE1 3.75Å; I475-Y530 HydrophobicContact CG1-CE2 4.44Å; I475-Y530 HydrophobicContact CG1-CG 4.27Å; I475-Y530 HydrophobicContact CG2-CD1 3.99Å; I475-Y530 HydrophobicContact CG2-CE1 3.93Å; L487-Y530 HydrophobicContact CD1-CD2 4.27Å; L487-Y530 HydrophobicContact CD1-CG 4.15Å; L487-Y530 HydrophobicContact CD2-CD1 4Å; L487-Y530 HydrophobicContact CD2-CD2 3.81Å; L487-Y530 HydrophobicContact CD2-CE1 4.24Å; L487-Y530 HydrophobicContact CD2-CE2 4.03Å; L487-Y530 HydrophobicContact CD2-CG 3.78Å; R513-Y530 PolarHBondContact O-OH 3.42Å; F516-Y530 HydrophobicContact CE2-CE2 4.19Å; F516-Y530 AromaticContact CZ-CE2 3.93Å; F516-Y530 HydrophobicContact CZ-CE2 3.93Å; A526-Y530 WeakPolarHBondContact O-CD2 3.28Å; A526-Y530 PolarHBondContact O-N 3.16Å; L527-Y530 PolarHBondContact O-N 2.84Å; Y530-K532 PolarHBondContact O-N 2.69Å; Y530-V533 HydrophobicContact CD1-CG2 3.9Å; Y530-V533 WeakPolarHBondContact O-CB 3.21Å; Y530-V533 WeakPolarHBondContact O-CG2 3.46Å; Y530-V533 PolarHBondContact O-N 3.23Å
531	R	92.4	Very high	93.4	Very high	124 Å²	124	41.3 Å²	41.3	47%	0.468	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-1.3	-178.9	75	-178	-69.1	172	2.8	118.6	L527 E528 L559	L527-R531 WeakPolarHBondContact O-CB 3.25Å; L527-R531 PolarHBondContact O-N 2.63Å; E528-R531 VanDerWaalsContact O-CD 3.29Å; E528-R531 WeakPolarHBondContact O-CD 3.19Å; E528-R531 WeakPolarHBondContact O-CG 3.48Å; E528-R531 WeakPolarHBondContact OE1-CD 3.35Å; E528-R531 IonicContact OE1-CZ 3.89Å; E528-R531 IonicContact OE1-NE 3.89Å; E528-R531 IonicContact OE1-NH1 3.25Å; E528-R531 PolarHBondContact OE1-NH1 2.71Å; R531-L559 HydrophobicContact CB-CD2 3.67Å
532	K	90.2	Very high	94	Very high	167 Å²	167	38.2 Å²	38.2	73%	0.726	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.8	0.6	177.5	-61	-170.2	179.8	-176.4	0	113.1	P477 Y530	P477-K532 VanDerWaalsContact CG-O 3.3Å; P477-K532 WeakPolarHBondContact CG-O 3.3Å; Y530-K532 PolarHBondContact O-N 2.69Å
533	V	91.3	Very high	94	Very high	15 Å²	15	38.3 Å²	38.3	9%	0.091	17%	0.173	C	C	.	.			trans	-80.6	125.8	175.6	-178.4	0	0	0	0	109.5	W434 I475 P477 P485 Y530 L536	W434-V533 HydrophobicContact CZ3-CG1 4.04Å; I475-V533 HydrophobicContact CG2-CG2 3.85Å; P477-V533 HydrophobicContact CB-CG2 4.1Å; P477-V533 HydrophobicContact CG-CG2 4.12Å; P485-V533 HydrophobicContact CB-CG1 3.86Å; P485-V533 HydrophobicContact CG-CG1 3.7Å; Y530-V533 HydrophobicContact CD1-CG2 3.9Å; Y530-V533 WeakPolarHBondContact O-CB 3.21Å; Y530-V533 WeakPolarHBondContact O-CG2 3.46Å; Y530-V533 PolarHBondContact O-N 3.23Å; V533-L536 HydrophobicContact CB-CB 4.36Å; V533-L536 HydrophobicContact CB-CD1 4.07Å; V533-L536 HydrophobicContact CG1-CB 4.3Å; V533-L536 HydrophobicContact CG1-CD1 3.97Å
534	H	89.6	Confident	93.7	Very high	49 Å²	49	39.3 Å²	39.3	23%	0.227	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	151.7	173.9	52.4	-83.1	0	0	0	109.9	W434 T478 P479 S480 P485 L536	W434-H534 AromaticContact CH2-CE1 3.96Å; T478-H534 PolarHBondContact O-CE1 3.05Å; T478-H534 PolarHBondContact O-NE2 2.77Å; P479-H534 VanDerWaalsContact CA-CE1 3.42Å; P479-H534 WeakPolarHBondContact CA-CE1 3.35Å; S480-H534 PolarHBondContact N-NE2 3.03Å; P485-H534 WeakPolarHBondContact CD-O 3.47Å; H534-L536 PolarHBondContact O-N 2.81Å
535	N	90.9	Very high	93.6	Very high	82 Å²	82	34.3 Å²	34.3	44%	0.439	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	25.5	178.4	-58	0.3	0	0	0	114.1	P481 M483 K484 P485 R537	P481-N535 PolarHBondContact O-ND2 3.17Å; M483-N535 WeakPolarHBondContact O-CB 3.32Å; M483-N535 PolarHBondContact O-ND2 2.91Å; K484-N535 CarbonylContact C-O 3.56Å; K484-N535 WeakPolarHBondContact CA-O 3.3Å; P485-N535 WeakPolarHBondContact CD-O 3.32Å; N535-R537 PolarHBondContact O-N 2.75Å
536	L	94.8	Very high	93.8	Very high	10 Å²	10	30.3 Å²	30.3	5%	0.052	15%	0.153	C	C	.	.			trans	-63.9	120.7	-178	-174.5	68.7	0	0	0	109.9	P485 L487 V533 H534 P563 P564	P485-L536 CarbonylContact O-C 3.53Å; P485-L536 WeakPolarHBondContact O-CA 3.5Å; P485-L536 WeakPolarHBondContact O-CD1 3.47Å; L487-L536 HydrophobicContact CD1-CD1 4.22Å; L487-L536 HydrophobicContact CD1-CD2 4.16Å; L487-L536 HydrophobicContact CD2-CD1 4.36Å; L487-L536 HydrophobicContact CG-CD1 3.85Å; V533-L536 HydrophobicContact CB-CB 4.36Å; V533-L536 HydrophobicContact CB-CD1 4.07Å; V533-L536 HydrophobicContact CG1-CB 4.3Å; V533-L536 HydrophobicContact CG1-CD1 3.97Å; H534-L536 PolarHBondContact O-N 2.81Å; L536-P563 HydrophobicContact CB-CB 4.2Å; L536-P563 HydrophobicContact CD2-CB 4.27Å; L536-P563 HydrophobicContact CG-CB 4.26Å; L536-P563 WeakPolarHBondContact O-CA 3.42Å; L536-P563 WeakPolarHBondContact O-CB 3.41Å; L536-P564 WeakPolarHBondContact O-CD 3.01Å
537	R	97.3	Very high	93.9	Very high	19 Å²	19	30.2 Å²	30.2	7%	0.072	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	154.5	169.1	-63.8	-163.1	162.7	-162.1	-9.8	109.9	P485 L486 L487 N535 P564 V598 E599 G601	P485-R537 PolarHBondContact O-N 2.95Å; L486-R537 WeakPolarHBondContact CA-O 3.36Å; L486-R537 HydrophobicContact CD1-CB 4.1Å; L487-R537 PolarHBondContact N-O 3.44Å; N535-R537 PolarHBondContact O-N 2.75Å; R537-P564 HydrophobicContact CG-CG 4.13Å; R537-V598 WeakPolarHBondContact CD-O 3.39Å; R537-V598 PolarHBondContact NH1-O 3.42Å; R537-E599 PolarHBondContact NH1-O 3.36Å; R537-G601 VanDerWaalsContact CZ-O 3.31Å; R537-G601 PolarHBondContact NH1-O 2.79Å; R537-G601 PolarHBondContact NH2-O 3.47Å
538	I	98.6	Very high	93.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	144.3	173.8	-65.8	166.3	0	0	0	108.8	L487 F489 L527 I550 L554 P563 P564 V565 A566	L487-I538 CarbonylContact O-C 3.55Å; L487-I538 WeakPolarHBondContact O-CA 3.41Å; F489-I538 HydrophobicContact CD2-CG2 3.71Å; F489-I538 HydrophobicContact CE2-CG2 3.98Å; L527-I538 HydrophobicContact CD2-CD1 3.6Å; L527-I538 HydrophobicContact CD2-CG1 4.4Å; I538-I550 HydrophobicContact CG2-CG2 4.33Å; I538-L554 HydrophobicContact CD1-CD1 4Å; I538-L554 HydrophobicContact CD1-CD2 4.08Å; I538-P563 HydrophobicContact CD1-CB 3.96Å; I538-P563 HydrophobicContact CD1-CG 3.56Å; I538-P563 HydrophobicContact CG1-CB 4.27Å; I538-P563 HydrophobicContact CG1-CG 4.37Å; I538-P564 PolarHBondContact N-O 2.7Å; I538-V565 HydrophobicContact CB-CG2 4.2Å; I538-V565 HydrophobicContact CD1-CG2 4.25Å; I538-V565 HydrophobicContact CG2-CG1 4.28Å; I538-V565 HydrophobicContact CG2-CG2 4.39Å; I538-A566 WeakPolarHBondContact O-CB 3.34Å; I538-A566 PolarHBondContact O-N 2.88Å
539	L	98.6	Very high	94.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.3	165.3	179	64.2	0	0	0	109.4	L486 L487 V488 F489 F506 A566 L568 I594 V598	L486-L539 HydrophobicContact CD1-CB 4Å; L487-L539 PolarHBondContact O-N 3.2Å; V488-L539 HydrophobicContact CG1-CB 4.47Å; V488-L539 HydrophobicContact CG1-CD2 4.22Å; V488-L539 HydrophobicContact CG1-CG 4.5Å; V488-L539 HydrophobicContact CG2-CB 4.32Å; V488-L539 HydrophobicContact CG2-CD2 4.38Å; F489-L539 PolarHBondContact N-O 2.92Å; F506-L539 HydrophobicContact CE1-CD2 3.8Å; F506-L539 HydrophobicContact CE2-CD2 4.5Å; F506-L539 HydrophobicContact CZ-CD2 3.55Å; L539-A566 WeakPolarHBondContact CA-O 3.47Å; L539-A566 HydrophobicContact CD1-CB 3.76Å; L539-L568 HydrophobicContact CD1-CB 4.13Å; L539-I594 HydrophobicContact CD2-CG2 4.03Å; L539-V598 HydrophobicContact CD1-CG2 3.89Å; L539-V598 HydrophobicContact CD2-CG2 4.26Å; L539-V598 HydrophobicContact CG-CG2 4.49Å
540	A	98.2	Very high	94.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	107	176.2	0	0	0	0	0	110.2	V547 I550 V565 A566 L568	A540-V547 HydrophobicContact CB-CG2 4.15Å; A540-I550 HydrophobicContact CB-CD1 3.6Å; A540-V565 HydrophobicContact CB-CG1 4.09Å; A540-A566 PolarHBondContact N-O 3.07Å; A540-L568 PolarHBondContact O-N 3.14Å
541	C	97.3	Very high	94.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	98.4	177.3	-55.1	0	0	0	0	109.7	F489 V490 N491 L568 L570	F489-C541 PolarHBondContact O-N 3.06Å; V490-C541 HydrophobicContact CB-CB 4.35Å; V490-C541 HydrophobicContact CG1-CB 4.17Å; V490-C541 HydrophobicContact CG2-CB 4.14Å; N491-C541 PolarHBondContact N-O 3.1Å; C541-L568 HydrophobicContact CB-CB 4.23Å; C541-L568 HydrophobicContact CB-CD2 4.35Å; C541-L570 HydrophobicContact CB-CD1 3.88Å; C541-L570 HydrophobicContact CB-CG 4.4Å
542	G	94.4	Very high	94.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178	-164.4	-172.1	0	0	0	0	0	112.7	L568 L570 G571	G542-L568 PolarHBondContact N-O 2.99Å; G542-L570 WeakPolarHBondContact O-CA 3.47Å; G542-L570 PolarHBondContact O-N 3.2Å; G542-G571 PolarHBondContact O-N 2.91Å
543	G	91.8	Very high	94.9	Very high	13 Å²	13	20.4 Å²	20.4	13%	0.134	11%	0.114	C	C	.	.			trans	-93.9	-177	163.6	0	0	0	0	0	111.5	G545 T546 V547	G543-G545 PolarHBondContact O-N 3.44Å; G543-T546 WeakPolarHBondContact O-CA 3.41Å; G543-T546 WeakPolarHBondContact O-CB 3.42Å; G543-T546 PolarHBondContact O-N 3.37Å; G543-V547 PolarHBondContact O-N 3.25Å
544	D	91.4	Very high	95.2	Very high	22 Å²	22	20.6 Å²	20.6	12%	0.118	12%	0.115	C	C	.	.	H	α-helix	trans	-54.9	-49	-173.6	-52.3	-97.1	0	0	0	112.8	T546 V547 G548 N574 D575 L576 N639	D544-T546 PolarHBondContact O-N 3.21Å; D544-T546 VanDerWaalsContact O-N 3.12Å; D544-V547 WeakPolarHBondContact O-CA 3.44Å; D544-V547 VanDerWaalsContact O-CB 3.28Å; D544-V547 WeakPolarHBondContact O-CB 3.36Å; D544-V547 PolarHBondContact O-N 2.88Å; D544-G548 PolarHBondContact O-N 3.34Å; D544-N574 WeakPolarHBondContact OD2-CA 3.5Å; D544-N574 PolarHBondContact OD2-N 3.29Å; D544-D575 PolarHBondContact OD1-N 2.96Å; D544-D575 VanDerWaalsContact OD1-N 3.14Å; D544-L576 WeakPolarHBondContact OD1-CB 3.42Å; D544-L576 PolarHBondContact OD1-N 2.83Å; D544-N639 PolarHBondContact OD1-ND2 3.02Å; D544-N639 VanDerWaalsContact OD1-ND2 3.16Å
545	G	91.9	Very high	95.4	Very high	37 Å²	37	19.7 Å²	19.7	38%	0.381	11%	0.111	S	C	.	.	H	α-helix	trans	-60.1	-22.3	173.5	0	0	0	0	0	115.1	G543 W549	G543-G545 PolarHBondContact O-N 3.44Å; G545-W549 WeakPolarHBondContact O-CB 3.33Å; G545-W549 PolarHBondContact O-N 3.21Å
546	T	94.6	Very high	95.5	Very high	14 Å²	14	21.9 Å²	21.9	9%	0.086	12%	0.119	C	C	.	.	H	α-helix	trans	-73.2	-31.7	170.7	-53.8	0	0	0	0	111.7	N491 L518 G543 D544 I550	N491-T546 HydrophobicContact CB-CG2 4.06Å; N491-T546 PolarHBondContact ND2-OG1 3.45Å; L518-T546 HydrophobicContact CD1-CG2 3.4Å; L518-T546 VanDerWaalsContact CD1-CG2 3.4Å; G543-T546 WeakPolarHBondContact O-CA 3.41Å; G543-T546 WeakPolarHBondContact O-CB 3.42Å; G543-T546 PolarHBondContact O-N 3.37Å; D544-T546 PolarHBondContact O-N 3.21Å; D544-T546 VanDerWaalsContact O-N 3.12Å; T546-I550 WeakPolarHBondContact O-CD1 3.44Å; T546-I550 WeakPolarHBondContact O-CG1 3.28Å
547	V	96.4	Very high	95.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-71.8	-48.3	171.9	-171.2	0	0	0	0	109.5	A540 G543 D544 W549 I550 L551 V565 I567 L576 M811	A540-V547 HydrophobicContact CB-CG2 4.15Å; G543-V547 PolarHBondContact O-N 3.25Å; D544-V547 WeakPolarHBondContact O-CA 3.44Å; D544-V547 VanDerWaalsContact O-CB 3.28Å; D544-V547 WeakPolarHBondContact O-CB 3.36Å; D544-V547 PolarHBondContact O-N 2.88Å; V547-W549 VanDerWaalsContact C-N 3.34Å; V547-W549 PolarHBondContact O-N 3.44Å; V547-I550 WeakPolarHBondContact O-CB 3.49Å; V547-I550 PolarHBondContact O-N 3.38Å; V547-L551 HydrophobicContact CG1-CD1 4.19Å; V547-L551 HydrophobicContact CG1-CG 4.36Å; V547-L551 WeakPolarHBondContact O-CG 3.15Å; V547-L551 PolarHBondContact O-N 2.88Å; V547-V565 HydrophobicContact CG1-CG1 4.28Å; V547-I567 HydrophobicContact CG1-CD1 4.21Å; V547-I567 HydrophobicContact CG1-CG1 4.22Å; V547-I567 HydrophobicContact CG2-CD1 4.03Å; V547-I567 HydrophobicContact CG2-CG1 3.9Å; V547-I567 HydrophobicContact CG2-CG2 4.01Å; V547-L576 HydrophobicContact CB-CD2 4.45Å; V547-L576 HydrophobicContact CG1-CD2 4.06Å; V547-M811 HydrophobicContact CG1-CE 3.95Å
548	G	95.4	Very high	95.3	Very high	10 Å²	10	31.1 Å²	31.1	10%	0.103	15%	0.154	C	C	.	.	H	α-helix	trans	-53.7	-44.9	176.4	0	0	0	0	0	113.3	D544 I550 L551 S552	D544-G548 PolarHBondContact O-N 3.34Å; G548-I550 VanDerWaalsContact C-N 3.31Å; G548-I550 PolarHBondContact O-N 2.75Å; G548-L551 PolarHBondContact O-N 3.21Å; G548-S552 PolarHBondContact O-N 3.25Å; G548-S552 PolarHBondContact O-OG 3.1Å
549	W	95.3	Very high	94.8	Very high	122 Å²	122	32.1 Å²	32.1	46%	0.462	16%	0.16	S	C	.	.	H	α-helix	trans	-59.8	-38.4	175.4	-178.7	27.4	0	0	0	113.2	L518 G545 V547 T553	L518-W549 HydrophobicContact CB-CH2 4.45Å; L518-W549 HydrophobicContact CB-CZ3 3.89Å; L518-W549 HydrophobicContact CD2-CE3 4.48Å; L518-W549 HydrophobicContact CD2-CZ3 4.19Å; L518-W549 HydrophobicContact CG-CZ3 4.44Å; L518-W549 WeakPolarHBondContact O-CH2 3.39Å; G545-W549 WeakPolarHBondContact O-CB 3.33Å; G545-W549 PolarHBondContact O-N 3.21Å; V547-W549 VanDerWaalsContact C-N 3.34Å; V547-W549 PolarHBondContact O-N 3.44Å; W549-T553 WeakPolarHBondContact O-CB 3.45Å; W549-T553 PolarHBondContact O-N 3.29Å; W549-T553 VanDerWaalsContact O-N 3.09Å; W549-T553 PolarHBondContact O-OG1 2.96Å
550	I	97.4	Very high	94.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-69.8	-43.3	176.3	-69.4	166.5	0	0	0	110.4	F489 L518 P523 I538 A540 T546 V547 G548 T553 L554 V565	F489-I550 HydrophobicContact CB-CD1 3.77Å; F489-I550 HydrophobicContact CD2-CD1 4.06Å; F489-I550 HydrophobicContact CG-CD1 4.12Å; L518-I550 HydrophobicContact CD1-CD1 4.41Å; P523-I550 HydrophobicContact CB-CG1 4.16Å; P523-I550 HydrophobicContact CG-CG1 4.12Å; I538-I550 HydrophobicContact CG2-CG2 4.33Å; A540-I550 HydrophobicContact CB-CD1 3.6Å; T546-I550 WeakPolarHBondContact O-CD1 3.44Å; T546-I550 WeakPolarHBondContact O-CG1 3.28Å; V547-I550 WeakPolarHBondContact O-CB 3.49Å; V547-I550 PolarHBondContact O-N 3.38Å; G548-I550 VanDerWaalsContact C-N 3.31Å; G548-I550 PolarHBondContact O-N 2.75Å; I550-T553 WeakPolarHBondContact O-CB 3.4Å; I550-T553 PolarHBondContact O-N 3.09Å; I550-L554 HydrophobicContact CG2-CD1 4.22Å; I550-L554 WeakPolarHBondContact O-CG 3.49Å; I550-L554 PolarHBondContact O-N 3.47Å; I550-V565 HydrophobicContact CG2-CG2 4.39Å
551	L	97.3	Very high	93.7	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.026	24%	0.235	C	C	.	.	H	α-helix	trans	-61.6	-49.7	177.4	-66.8	179	0	0	0	112.1	V547 G548 T553 L554 D555 V565 L606 A809 M811	V547-L551 HydrophobicContact CG1-CD1 4.19Å; V547-L551 HydrophobicContact CG1-CG 4.36Å; V547-L551 WeakPolarHBondContact O-CG 3.15Å; V547-L551 PolarHBondContact O-N 2.88Å; G548-L551 PolarHBondContact O-N 3.21Å; L551-T553 PolarHBondContact O-N 3.15Å; L551-L554 HydrophobicContact CD2-CD1 4.4Å; L551-L554 WeakPolarHBondContact O-CA 3.44Å; L551-L554 WeakPolarHBondContact O-CB 3.37Å; L551-L554 PolarHBondContact O-N 3.42Å; L551-D555 PolarHBondContact O-N 3.2Å; L551-V565 HydrophobicContact CD2-CB 4.47Å; L551-V565 HydrophobicContact CD2-CG2 3.94Å; L551-L606 HydrophobicContact CD1-CD2 4.35Å; L551-A809 HydrophobicContact CD1-CB 4.25Å; L551-A809 HydrophobicContact CD2-CB 3.82Å; L551-M811 HydrophobicContact CD1-SD 4.28Å; L551-M811 HydrophobicContact CD2-SD 3.98Å
552	S	94.9	Very high	93.4	Very high	25 Å²	25	49.9 Å²	49.9	18%	0.175	26%	0.255	C	S	.	.	H	α-helix	trans	-65.9	-23.1	176.1	-65.1	0	0	0	0	113	G548 Q556 R608	G548-S552 PolarHBondContact O-N 3.25Å; G548-S552 PolarHBondContact O-OG 3.1Å; S552-Q556 VanDerWaalsContact O-CG 3.27Å; S552-Q556 WeakPolarHBondContact O-CG 3.44Å; S552-Q556 PolarHBondContact O-N 3.11Å; S552-R608 PolarHBondContact OG-NH2 3.06Å; S552-R608 VanDerWaalsContact OG-NH2 3.14Å
553	T	96.6	Very high	93.5	Very high	6 Å²	6	50.3 Å²	50.3	4%	0.037	26%	0.258	C	S	.	.	H	α-helix	trans	-74.5	-34.5	168.8	-55.5	0	0	0	0	112.3	P523 R524 L527 W549 I550 L551 Q556 L557	P523-T553 HydrophobicContact CG-CG2 4.1Å; R524-T553 HydrophobicContact CB-CG2 3.76Å; R524-T553 HydrophobicContact CG-CG2 4.16Å; L527-T553 HydrophobicContact CD1-CG2 3.87Å; W549-T553 WeakPolarHBondContact O-CB 3.45Å; W549-T553 PolarHBondContact O-N 3.29Å; W549-T553 VanDerWaalsContact O-N 3.09Å; W549-T553 PolarHBondContact O-OG1 2.96Å; I550-T553 WeakPolarHBondContact O-CB 3.4Å; I550-T553 PolarHBondContact O-N 3.09Å; L551-T553 PolarHBondContact O-N 3.15Å; T553-Q556 PolarHBondContact O-N 2.87Å; T553-L557 HydrophobicContact CG2-CD1 4.16Å; T553-L557 WeakPolarHBondContact O-CG 3.41Å; T553-L557 PolarHBondContact O-N 3.21Å; T553-L557 VanDerWaalsContact O-N 3.17Å
554	L	96	Very high	93.8	Very high	18 Å²	18	50.5 Å²	50.5	9%	0.094	26%	0.256	C	S	.	.	H	α-helix	trans	-67.3	-40.7	174.7	-70.9	167.7	0	0	0	111.5	L527 I538 I550 L551 Q556 L557 R558 L559 P563 V565	L527-L554 HydrophobicContact CD1-CD2 3.86Å; L527-L554 HydrophobicContact CD1-CG 4.18Å; L527-L554 HydrophobicContact CD2-CD2 3.96Å; L527-L554 HydrophobicContact CG-CD2 4.46Å; I538-L554 HydrophobicContact CD1-CD1 4Å; I538-L554 HydrophobicContact CD1-CD2 4.08Å; I550-L554 HydrophobicContact CG2-CD1 4.22Å; I550-L554 WeakPolarHBondContact O-CG 3.49Å; I550-L554 PolarHBondContact O-N 3.47Å; L551-L554 HydrophobicContact CD2-CD1 4.4Å; L551-L554 WeakPolarHBondContact O-CA 3.44Å; L551-L554 WeakPolarHBondContact O-CB 3.37Å; L551-L554 PolarHBondContact O-N 3.42Å; L554-Q556 VanDerWaalsContact C-N 3.34Å; L554-Q556 PolarHBondContact O-N 2.9Å; L554-L557 PolarHBondContact O-N 3.05Å; L554-R558 PolarHBondContact O-N 3.43Å; L554-L559 HydrophobicContact CD2-CD1 3.79Å; L554-L559 HydrophobicContact CD2-CG 4.5Å; L554-P563 HydrophobicContact CD2-CG 3.66Å; L554-V565 HydrophobicContact CD1-CG2 3.76Å
555	D	93.6	Very high	94.1	Very high	30 Å²	30	49.4 Å²	49.4	16%	0.16	25%	0.251	C	S	.	.	H	α-helix	trans	-52.9	-49.1	170.8	-80.9	-7	0	0	0	111.8	L551 L557 R558 R608 R806 N807	L551-D555 PolarHBondContact O-N 3.2Å; D555-L557 VanDerWaalsContact C-N 3.32Å; D555-L557 PolarHBondContact O-N 2.94Å; D555-R558 WeakPolarHBondContact O-CG 3.49Å; D555-R558 PolarHBondContact O-N 3.45Å; D555-R608 VanDerWaalsContact CG-NH1 3.33Å; D555-R608 IonicContact OD1-NH1 3.69Å; D555-R608 PolarHBondContact OD1-NH1 2.78Å; D555-R608 IonicContact OD2-CZ 3.37Å; D555-R608 IonicContact OD2-NH1 2.9Å; D555-R608 PolarHBondContact OD2-NH1 3.03Å; D555-R608 IonicContact OD2-NH2 3.55Å; D555-R806 IonicContact OD2-CZ 2.81Å; D555-R806 IonicContact OD2-NE 3.68Å; D555-R806 PolarHBondContact OD2-NE 3.44Å; D555-R806 IonicContact OD2-NH2 3.72Å; D555-R806 PolarHBondContact OD2-NH2 3.42Å; D555-N807 PolarHBondContact OD1-ND2 3.2Å
556	Q	94.4	Very high	94.4	Very high	129 Å²	129	47.7 Å²	47.7	60%	0.603	23%	0.233	S	C	*	.	H	α-helix	trans	-64.6	-35.1	-179.1	-71.1	170.2	23.6	0	0	112.5	S552 T553 L554	S552-Q556 VanDerWaalsContact O-CG 3.27Å; S552-Q556 WeakPolarHBondContact O-CG 3.44Å; S552-Q556 PolarHBondContact O-N 3.11Å; T553-Q556 PolarHBondContact O-N 2.87Å; L554-Q556 VanDerWaalsContact C-N 3.34Å; L554-Q556 PolarHBondContact O-N 2.9Å
557	L	94.1	Very high	94.5	Very high	15 Å²	15	47.2 Å²	47.2	8%	0.079	23%	0.23	C	C	.	.	H	α-helix	trans	-85	-15.5	-179.2	-68.3	174.4	0	0	0	113.9	R524 L527 T553 L554 D555 L559	R524-L557 HydrophobicContact CG-CD1 4.41Å; R524-L557 HydrophobicContact CG-CD2 4.28Å; L527-L557 HydrophobicContact CB-CD1 3.39Å; L527-L557 HydrophobicContact CD1-CD1 4.11Å; L527-L557 HydrophobicContact CG-CD1 4.4Å; T553-L557 HydrophobicContact CG2-CD1 4.16Å; T553-L557 WeakPolarHBondContact O-CG 3.41Å; T553-L557 PolarHBondContact O-N 3.21Å; T553-L557 VanDerWaalsContact O-N 3.17Å; L554-L557 PolarHBondContact O-N 3.05Å; D555-L557 VanDerWaalsContact C-N 3.32Å; D555-L557 PolarHBondContact O-N 2.94Å; L557-L559 VanDerWaalsContact C-N 3.3Å; L557-L559 HydrophobicContact CB-CD2 4.1Å; L557-L559 HydrophobicContact CB-CG 4.12Å; L557-L559 PolarHBondContact O-N 3.13Å
558	R	92.2	Very high	94.6	Very high	208 Å²	208	47.4 Å²	47.4	79%	0.785	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.8	48.8	177	-59.6	-172.5	175.1	-171.1	-4	113	L554 D555	L554-R558 PolarHBondContact O-N 3.43Å; D555-R558 WeakPolarHBondContact O-CG 3.49Å; D555-R558 PolarHBondContact O-N 3.45Å
559	L	88.9	Confident	94.6	Very high	21 Å²	21	47 Å²	47	11%	0.11	23%	0.226	C	C	.	.			trans	-64.9	141.7	179.9	-59.1	-172.3	0	0	0	111.1	R531 L554 L557 P561 P563	R531-L559 HydrophobicContact CB-CD2 3.67Å; L554-L559 HydrophobicContact CD2-CD1 3.79Å; L554-L559 HydrophobicContact CD2-CG 4.5Å; L557-L559 VanDerWaalsContact C-N 3.3Å; L557-L559 HydrophobicContact CB-CD2 4.1Å; L557-L559 HydrophobicContact CB-CG 4.12Å; L557-L559 PolarHBondContact O-N 3.13Å; L559-P561 CarbonylContact C-O 3.58Å; L559-P561 CarbonylContact O-C 3.58Å; L559-P563 HydrophobicContact CD1-CG 4.05Å
560	K	85.6	Confident	94.4	Very high	195 Å²	195	41.2 Å²	41.2	85%	0.848	20%	0.204	S	C	*	.	S	Bend	trans	-134.5	117.6	-179	-66.7	-161.5	176.2	-163.6	0	111.3
561	P	88.1	Confident	93.8	Very high	113 Å²	113	41.8 Å²	41.8	73%	0.734	21%	0.21	S	C	*	.	S	Bend	cis	-61	158.6	-14.1	29.9	-36	0	0	0	111.6	L559	L559-P561 CarbonylContact C-O 3.58Å; L559-P561 CarbonylContact O-C 3.58Å
562	P	91.6	Very high	92.9	Very high	64 Å²	64	43.6 Å²	43.6	42%	0.416	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-65	135.9	168.5	28.5	-34	0	0	0	110.1
563	P	96	Very high	92.1	Very high	9 Å²	9	43.7 Å²	43.7	6%	0.058	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-74.5	128.6	174.5	29.5	-33.8	0	0	0	110.8	L536 I538 L554 L559	L536-P563 HydrophobicContact CB-CB 4.2Å; L536-P563 HydrophobicContact CD2-CB 4.27Å; L536-P563 HydrophobicContact CG-CB 4.26Å; L536-P563 WeakPolarHBondContact O-CA 3.42Å; L536-P563 WeakPolarHBondContact O-CB 3.41Å; I538-P563 HydrophobicContact CD1-CB 3.96Å; I538-P563 HydrophobicContact CD1-CG 3.56Å; I538-P563 HydrophobicContact CG1-CB 4.27Å; I538-P563 HydrophobicContact CG1-CG 4.37Å; L554-P563 HydrophobicContact CD2-CG 3.66Å; L559-P563 HydrophobicContact CD1-CG 4.05Å
564	P	97.6	Very high	91.8	Very high	17 Å²	17	43.5 Å²	43.5	11%	0.11	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-69.7	140.7	-178.4	29.3	-37.9	0	0	0	112.6	L536 R537 I538 V603 T810 V812	L536-P564 WeakPolarHBondContact O-CD 3.01Å; R537-P564 HydrophobicContact CG-CG 4.13Å; I538-P564 PolarHBondContact N-O 2.7Å; P564-V603 HydrophobicContact CB-CG1 4.22Å; P564-V603 HydrophobicContact CB-CG2 4.44Å; P564-V603 HydrophobicContact CG-CG2 4.32Å; P564-T810 VanDerWaalsContact CA-O 3.28Å; P564-T810 WeakPolarHBondContact CA-O 3.45Å; P564-T810 HydrophobicContact CB-CG2 3.91Å; P564-V812 HydrophobicContact CB-CG2 3.78Å; P564-V812 HydrophobicContact CG-CG2 4.19Å
565	V	98.6	Very high	91.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	118	-176.3	-176.2	0	0	0	0	111.8	I538 A540 V547 I550 L551 L554 T810 M811 V812	I538-V565 HydrophobicContact CB-CG2 4.2Å; I538-V565 HydrophobicContact CD1-CG2 4.25Å; I538-V565 HydrophobicContact CG2-CG1 4.28Å; I538-V565 HydrophobicContact CG2-CG2 4.39Å; A540-V565 HydrophobicContact CB-CG1 4.09Å; V547-V565 HydrophobicContact CG1-CG1 4.28Å; I550-V565 HydrophobicContact CG2-CG2 4.39Å; L551-V565 HydrophobicContact CD2-CB 4.47Å; L551-V565 HydrophobicContact CD2-CG2 3.94Å; L554-V565 HydrophobicContact CD1-CG2 3.76Å; V565-T810 PolarHBondContact N-O 3.12Å; V565-T810 VanDerWaalsContact N-O 3.14Å; V565-M811 HydrophobicContact CB-CE 4.19Å; V565-M811 HydrophobicContact CB-SD 3.95Å; V565-M811 HydrophobicContact CG1-CE 4.39Å; V565-M811 CarbonylContact O-C 3.57Å; V565-M811 WeakPolarHBondContact O-CA 3.48Å; V565-V812 PolarHBondContact O-N 3.17Å
566	A	98.2	Very high	91.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	155	164.9	0	0	0	0	0	110.8	I538 L539 A540 W582 V598 V812	I538-A566 WeakPolarHBondContact O-CB 3.34Å; I538-A566 PolarHBondContact O-N 2.88Å; L539-A566 WeakPolarHBondContact CA-O 3.47Å; L539-A566 HydrophobicContact CD1-CB 3.76Å; A540-A566 PolarHBondContact N-O 3.07Å; A566-W582 HydrophobicContact CB-CH2 4.11Å; A566-W582 HydrophobicContact CB-CZ2 3.64Å; A566-V598 HydrophobicContact CB-CG1 4.32Å; A566-V598 HydrophobicContact CB-CG2 3.97Å; A566-V812 HydrophobicContact CB-CB 3.81Å; A566-V812 HydrophobicContact CB-CG1 4.38Å; A566-V812 HydrophobicContact CB-CG2 4.08Å
567	I	97.5	Very high	91.8	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	140	-179.4	-54.3	174.4	0	0	0	109.4	V547 L576 A577 L580 W582 M811	V547-I567 HydrophobicContact CG1-CD1 4.21Å; V547-I567 HydrophobicContact CG1-CG1 4.22Å; V547-I567 HydrophobicContact CG2-CD1 4.03Å; V547-I567 HydrophobicContact CG2-CG1 3.9Å; V547-I567 HydrophobicContact CG2-CG2 4.01Å; I567-L576 HydrophobicContact CD1-CB 4.21Å; I567-L576 HydrophobicContact CD1-CD2 3.79Å; I567-L576 HydrophobicContact CD1-CG 3.67Å; I567-A577 HydrophobicContact CB-CB 4.47Å; I567-A577 HydrophobicContact CG2-CB 3.89Å; I567-L580 HydrophobicContact CD1-CD1 3.9Å; I567-W582 HydrophobicContact CB-CG 4.39Å; I567-W582 VanDerWaalsContact O-CE3 3.26Å; I567-W582 VanDerWaalsContact O-CG 3.3Å; I567-M811 HydrophobicContact CD1-CE 3.98Å; I567-M811 HydrophobicContact CG1-CE 4.2Å
568	L	96.9	Very high	91.7	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.026	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	110.5	160.3	-172.3	72.7	0	0	0	108.6	I502 F506 L539 A540 C541 G542 L570 Y586 I594	I502-L568 HydrophobicContact CD1-CD2 3.34Å; F506-L568 HydrophobicContact CE2-CD2 4.48Å; F506-L568 HydrophobicContact CZ-CD2 4.49Å; L539-L568 HydrophobicContact CD1-CB 4.13Å; A540-L568 PolarHBondContact O-N 3.14Å; C541-L568 HydrophobicContact CB-CB 4.23Å; C541-L568 HydrophobicContact CB-CD2 4.35Å; G542-L568 PolarHBondContact N-O 2.99Å; L568-L570 HydrophobicContact CD2-CD2 4.34Å; L568-L570 HydrophobicContact CG-CD2 4.48Å; L568-L570 PolarHBondContact O-N 2.82Å; L568-Y586 HydrophobicContact CD1-CD2 4.02Å; L568-Y586 HydrophobicContact CD2-CD2 4.21Å; L568-Y586 HydrophobicContact CG-CD2 4.38Å; L568-I594 HydrophobicContact CD1-CD1 3.6Å; L568-I594 HydrophobicContact CD1-CG1 4.1Å; L568-I594 HydrophobicContact CD1-CG2 4.26Å; L568-I594 HydrophobicContact CD2-CD1 4.16Å
569	P	94.9	Very high	91.8	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.013	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	97	-170	27.4	-35.7	0	0	0	111.8	N574 A577 G583 G585 Y586	P569-N574 HydrophobicContact CB-CB 3.7Å; P569-A577 HydrophobicContact CB-CB 3.75Å; P569-A577 HydrophobicContact CG-CB 4.25Å; P569-G583 WeakPolarHBondContact CG-O 3.26Å; P569-G585 CarbonylContact O-C 3.58Å; P569-G585 WeakPolarHBondContact O-CA 3.46Å; P569-Y586 PolarHBondContact O-N 3.48Å
570	L	91.7	Very high	92.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.151	C	C	.	.			trans	-101.3	-14.6	174	-59.9	-170.7	0	0	0	113.4	G495 Q498 I502 C541 G542 L568 Y586 R667	G495-L570 WeakPolarHBondContact CA-O 3.43Å; G495-L570 PolarHBondContact N-O 2.98Å; Q498-L570 HydrophobicContact CB-CD2 4.44Å; I502-L570 HydrophobicContact CG2-CD1 4.49Å; C541-L570 HydrophobicContact CB-CD1 3.88Å; C541-L570 HydrophobicContact CB-CG 4.4Å; G542-L570 WeakPolarHBondContact O-CA 3.47Å; G542-L570 PolarHBondContact O-N 3.2Å; L568-L570 HydrophobicContact CD2-CD2 4.34Å; L568-L570 HydrophobicContact CG-CD2 4.48Å; L568-L570 PolarHBondContact O-N 2.82Å; L570-Y586 HydrophobicContact CD2-CD1 4Å; L570-Y586 HydrophobicContact CD2-CG 4.04Å; L570-R667 VanDerWaalsContact CA-NH2 3.32Å; L570-R667 PolarHBondContact O-NE 3.31Å; L570-R667 PolarHBondContact O-NH2 2.93Å
571	G	84.7	Confident	92.5	Very high	12 Å²	12	18.8 Å²	18.8	12%	0.124	12%	0.12	C	C	.	.	S	Bend	trans	-72.1	-162.3	179.3	0	0	0	0	0	114.6	G542 N574 R667	G542-G571 PolarHBondContact O-N 2.91Å; G571-N574 VanDerWaalsContact C-ND2 3.26Å; G571-N574 WeakPolarHBondContact CA-OD1 3.36Å; G571-N574 PolarHBondContact N-OD1 3.27Å; G571-N574 PolarHBondContact O-ND2 3.01Å; G571-R667 WeakPolarHBondContact O-CD 3.21Å; G571-R667 PolarHBondContact O-NE 3.12Å
572	T	79.8	Confident	92.7	Very high	43 Å²	43	14.3 Å²	14.3	26%	0.264	9%	0.088	S	C	.	.	S	Bend	trans	-107.7	-40.4	176.8	-55.1	0	0	0	0	112.7	R667 N670 K671	T572-R667 HydrophobicContact CG2-CB 4.5Å; T572-N670 HydrophobicContact CG2-CB 4.16Å; T572-K671 HydrophobicContact CG2-CG 3.81Å
573	G	78.1	Confident	92.5	Very high	26 Å²	26	12.7 Å²	12.7	27%	0.268	8%	0.083	S	C	.	.			trans	-67.5	-80.7	168.9	0	0	0	0	0	110.1	D575 R578	G573-D575 VanDerWaalsContact C-OD2 3.31Å; G573-D575 WeakPolarHBondContact CA-OD2 3.36Å; G573-R578 VanDerWaalsContact O-CZ 3.3Å; G573-R578 PolarHBondContact O-NH1 3Å; G573-R578 PolarHBondContact O-NH2 3.44Å
574	N	90.3	Very high	92	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.011	10%	0.096	C	C	.	.			trans	67.7	30.8	-179.5	-50.2	-51.6	0	0	0	113.9	D544 P569 G571 A577 R578 G584	D544-N574 WeakPolarHBondContact OD2-CA 3.5Å; D544-N574 PolarHBondContact OD2-N 3.29Å; P569-N574 HydrophobicContact CB-CB 3.7Å; G571-N574 VanDerWaalsContact C-ND2 3.26Å; G571-N574 WeakPolarHBondContact CA-OD1 3.36Å; G571-N574 PolarHBondContact N-OD1 3.27Å; G571-N574 PolarHBondContact O-ND2 3.01Å; N574-A577 HydrophobicContact CB-CB 4.07Å; N574-A577 WeakPolarHBondContact O-CA 3.33Å; N574-A577 VanDerWaalsContact O-CB 3.26Å; N574-A577 WeakPolarHBondContact O-CB 3.26Å; N574-A577 PolarHBondContact O-N 2.89Å; N574-R578 PolarHBondContact O-N 2.79Å; N574-R578 PolarHBondContact O-NH1 3.08Å; N574-R578 VanDerWaalsContact O-NH1 3.13Å; N574-G584 PolarHBondContact ND2-O 3.01Å
575	D	93.4	Very high	91.4	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.011	10%	0.103	C	C	.	.	H	α-helix	trans	-71.3	-34.3	-171.3	-64.1	-67.2	0	0	0	112.7	D544 G573 A577 R578 T579 I720 R722 A725 G726	D544-D575 PolarHBondContact OD1-N 2.96Å; D544-D575 VanDerWaalsContact OD1-N 3.14Å; G573-D575 VanDerWaalsContact C-OD2 3.31Å; G573-D575 WeakPolarHBondContact CA-OD2 3.36Å; D575-A577 PolarHBondContact O-N 3.27Å; D575-R578 PolarHBondContact O-N 2.85Å; D575-R578 IonicContact OD1-CZ 2.7Å; D575-R578 IonicContact OD1-NH1 3.74Å; D575-R578 PolarHBondContact OD1-NH1 3.35Å; D575-R578 IonicContact OD2-NH1 3.9Å; D575-T579 PolarHBondContact O-N 3.04Å; D575-T579 PolarHBondContact O-OG1 2.89Å; D575-I720 HydrophobicContact CB-CD1 4.23Å; D575-R722 HydrophobicContact CB-CB 4.22Å; D575-A725 VanDerWaalsContact OD1-C 3.25Å; D575-A725 WeakPolarHBondContact OD1-CA 3.42Å; D575-A725 PolarHBondContact OD1-N 2.96Å; D575-A725 PolarHBondContact OD2-N 3.38Å; D575-G726 PolarHBondContact OD1-N 3.37Å
576	L	95.2	Very high	90.9	Very high	1 Å²	1	15 Å²	15	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-63.4	-33.2	168.6	-171.8	60	0	0	0	112.1	D544 V547 I567 L580 L606 N639 I720 M811	D544-L576 WeakPolarHBondContact OD1-CB 3.42Å; D544-L576 PolarHBondContact OD1-N 2.83Å; V547-L576 HydrophobicContact CB-CD2 4.45Å; V547-L576 HydrophobicContact CG1-CD2 4.06Å; I567-L576 HydrophobicContact CD1-CB 4.21Å; I567-L576 HydrophobicContact CD1-CD2 3.79Å; I567-L576 HydrophobicContact CD1-CG 3.67Å; L576-L580 HydrophobicContact CD1-CD1 4.23Å; L576-L580 HydrophobicContact CG-CD1 4.23Å; L576-L580 WeakPolarHBondContact O-CB 3.28Å; L576-L580 WeakPolarHBondContact O-CG 3.28Å; L576-L580 PolarHBondContact O-N 3.23Å; L576-L606 HydrophobicContact CD1-CD1 3.92Å; L576-L606 HydrophobicContact CD1-CD2 3.78Å; L576-L606 HydrophobicContact CD2-CD2 4.06Å; L576-N639 WeakPolarHBondContact CB-OD1 3.36Å; L576-I720 HydrophobicContact CB-CD1 4.36Å; L576-I720 HydrophobicContact CD1-CD1 4.49Å; L576-I720 HydrophobicContact CD1-CG2 3.97Å; L576-M811 HydrophobicContact CD2-CE 4.3Å
577	A	95	Very high	90.2	Very high	1 Å²	1	20 Å²	20	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-70.1	-36.8	177.2	0	0	0	0	0	111.7	I567 P569 N574 D575 L580 N581 W582 G583	I567-A577 HydrophobicContact CB-CB 4.47Å; I567-A577 HydrophobicContact CG2-CB 3.89Å; P569-A577 HydrophobicContact CB-CB 3.75Å; P569-A577 HydrophobicContact CG-CB 4.25Å; N574-A577 HydrophobicContact CB-CB 4.07Å; N574-A577 WeakPolarHBondContact O-CA 3.33Å; N574-A577 VanDerWaalsContact O-CB 3.26Å; N574-A577 WeakPolarHBondContact O-CB 3.26Å; N574-A577 PolarHBondContact O-N 2.89Å; D575-A577 PolarHBondContact O-N 3.27Å; A577-L580 CarbonylContact O-C 3.59Å; A577-L580 PolarHBondContact O-N 2.99Å; A577-N581 PolarHBondContact O-N 2.82Å; A577-W582 HydrophobicContact CB-CB 4.13Å; A577-W582 WeakPolarHBondContact O-CA 3.41Å; A577-W582 PolarHBondContact O-N 2.78Å; A577-G583 PolarHBondContact O-N 2.91Å
578	R	92.6	Very high	89.5	Confident	44 Å²	44	24.2 Å²	24.2	17%	0.166	16%	0.16	C	C	.	.	H	α-helix	trans	-63.7	-49.7	171	-71.6	-179.4	-162	69.6	2.6	111.5	G573 N574 D575 L580 N581 R722 A725 G726	G573-R578 VanDerWaalsContact O-CZ 3.3Å; G573-R578 PolarHBondContact O-NH1 3Å; G573-R578 PolarHBondContact O-NH2 3.44Å; N574-R578 PolarHBondContact O-N 2.79Å; N574-R578 PolarHBondContact O-NH1 3.08Å; N574-R578 VanDerWaalsContact O-NH1 3.13Å; D575-R578 PolarHBondContact O-N 2.85Å; D575-R578 IonicContact OD1-CZ 2.7Å; D575-R578 IonicContact OD1-NH1 3.74Å; D575-R578 PolarHBondContact OD1-NH1 3.35Å; D575-R578 IonicContact OD2-NH1 3.9Å; R578-L580 PolarHBondContact O-N 3.22Å; R578-N581 WeakPolarHBondContact O-CA 3.46Å; R578-N581 PolarHBondContact O-N 3.01Å; R578-R722 HydrophobicContact CB-CB 4.39Å; R578-R722 HydrophobicContact CB-CG 3.97Å; R578-A725 PolarHBondContact NE-O 2.83Å; R578-A725 VanDerWaalsContact NE-O 3.09Å; R578-A725 PolarHBondContact NH2-O 3.17Å; R578-G726 VanDerWaalsContact CD-CA 3.45Å
579	T	93.5	Very high	89	Confident	15 Å²	15	26 Å²	26	9%	0.092	17%	0.167	C	C	.	.	H	α-helix	trans	-53.6	-39	176.7	-64.6	0	0	0	0	112.4	D575 N581 I720 R722	D575-T579 PolarHBondContact O-N 3.04Å; D575-T579 PolarHBondContact O-OG1 2.89Å; T579-N581 VanDerWaalsContact C-N 3.31Å; T579-N581 PolarHBondContact O-N 3.47Å; T579-I720 HydrophobicContact CG2-CB 4.16Å; T579-I720 HydrophobicContact CG2-CG2 4.25Å; T579-R722 WeakPolarHBondContact OG1-CG 3.43Å
580	L	94.8	Very high	88.7	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	17.5	178.6	-65	176	0	0	0	114.4	I567 L576 A577 R578 W582 V604 M811 Q813 K814	I567-L580 HydrophobicContact CD1-CD1 3.9Å; L576-L580 HydrophobicContact CD1-CD1 4.23Å; L576-L580 HydrophobicContact CG-CD1 4.23Å; L576-L580 WeakPolarHBondContact O-CB 3.28Å; L576-L580 WeakPolarHBondContact O-CG 3.28Å; L576-L580 PolarHBondContact O-N 3.23Å; A577-L580 CarbonylContact O-C 3.59Å; A577-L580 PolarHBondContact O-N 2.99Å; R578-L580 PolarHBondContact O-N 3.22Å; L580-W582 VanDerWaalsContact O-CD1 3.24Å; L580-W582 PolarHBondContact O-N 2.86Å; L580-V604 HydrophobicContact CD2-CG2 3.68Å; L580-M811 HydrophobicContact CD1-CB 3.9Å; L580-M811 HydrophobicContact CD1-CE 3.61Å; L580-M811 HydrophobicContact CD1-CG 4.14Å; L580-M811 HydrophobicContact CD2-CB 4.41Å; L580-Q813 HydrophobicContact CD2-CB 4.31Å; L580-Q813 HydrophobicContact CD2-CG 4.38Å; L580-Q813 WeakPolarHBondContact O-CG 3.11Å; L580-K814 PolarHBondContact O-N 2.94Å
581	N	93.3	Very high	88.7	Confident	35 Å²	35	30 Å²	30	19%	0.187	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	16.1	180	-55.4	-52.9	0	0	0	115.7	A577 R578 T579 G583 Q813 K814 K816	A577-N581 PolarHBondContact O-N 2.82Å; R578-N581 WeakPolarHBondContact O-CA 3.46Å; R578-N581 PolarHBondContact O-N 3.01Å; T579-N581 VanDerWaalsContact C-N 3.31Å; T579-N581 PolarHBondContact O-N 3.47Å; N581-G583 VanDerWaalsContact C-N 3.31Å; N581-Q813 WeakPolarHBondContact ND2-CG 3.31Å; N581-Q813 PolarHBondContact ND2-NE2 3.29Å; N581-K814 HydrophobicContact CB-CB 3.98Å; N581-K814 WeakPolarHBondContact O-CB 3.47Å; N581-K814 WeakPolarHBondContact O-CD 3.29Å; N581-K816 WeakPolarHBondContact OD1-CE 3.39Å
582	W	92.3	Very high	89	Confident	18 Å²	18	31.5 Å²	31.5	7%	0.068	20%	0.202	C	C	.	.	S	Bend	trans	-80.1	-10.1	175.5	-66.8	98.6	0	0	0	114	A566 I567 A577 L580 H597 V598 V812 K814	A566-W582 HydrophobicContact CB-CH2 4.11Å; A566-W582 HydrophobicContact CB-CZ2 3.64Å; I567-W582 HydrophobicContact CB-CG 4.39Å; I567-W582 VanDerWaalsContact O-CE3 3.26Å; I567-W582 VanDerWaalsContact O-CG 3.3Å; A577-W582 HydrophobicContact CB-CB 4.13Å; A577-W582 WeakPolarHBondContact O-CA 3.41Å; A577-W582 PolarHBondContact O-N 2.78Å; L580-W582 VanDerWaalsContact O-CD1 3.24Å; L580-W582 PolarHBondContact O-N 2.86Å; W582-H597 HydrophobicContact CH2-CB 3.96Å; W582-H597 HydrophobicContact CZ3-CB 3.86Å; W582-V598 HydrophobicContact CH2-CB 4.47Å; W582-V598 HydrophobicContact CH2-CG2 3.59Å; W582-V598 HydrophobicContact CZ2-CG2 4.48Å; W582-V598 HydrophobicContact CZ3-CG2 4.08Å; W582-V812 HydrophobicContact CZ2-CB 4.4Å; W582-V812 HydrophobicContact CZ2-CG1 4.04Å; W582-V812 PolarHBondContact NE1-O 2.83Å; W582-K814 HydrophobicContact CD2-CB 3.96Å; W582-K814 HydrophobicContact CE3-CB 4.24Å; W582-K814 HydrophobicContact CE3-CD 4.41Å; W582-K814 HydrophobicContact CE3-CG 4.3Å; W582-K814 HydrophobicContact CG-CB 4.34Å; W582-K814 HydrophobicContact CZ2-CB 4.29Å; W582-K814 HydrophobicContact CZ3-CG 4.36Å
583	G	88.5	Confident	89.5	Confident	31 Å²	31	32.7 Å²	32.7	32%	0.32	20%	0.204	S	C	.	.			trans	90.4	171	174.9	0	0	0	0	0	114.3	P569 A577 N581 G585	P569-G583 WeakPolarHBondContact CG-O 3.26Å; A577-G583 PolarHBondContact O-N 2.91Å; N581-G583 VanDerWaalsContact C-N 3.31Å; G583-G585 VanDerWaalsContact C-N 3.35Å; G583-G585 PolarHBondContact O-N 3.41Å
584	G	84.4	Confident	90.3	Very high	32 Å²	32	31.4 Å²	31.4	33%	0.33	19%	0.191	S	C	.	.	S	Bend	trans	-77.1	-11.8	-175.4	0	0	0	0	0	115.7	N574	N574-G584 PolarHBondContact ND2-O 3.01Å
585	G	86.8	Confident	90.5	Very high	24 Å²	24	31.3 Å²	31.3	25%	0.247	19%	0.19	C	C	.	.	S	Bend	trans	177	148.9	-179.9	0	0	0	0	0	113.6	P569 G583	P569-G585 CarbonylContact O-C 3.58Å; P569-G585 WeakPolarHBondContact O-CA 3.46Å; G583-G585 VanDerWaalsContact C-N 3.35Å; G583-G585 PolarHBondContact O-N 3.41Å
586	Y	87.2	Confident	90.5	Very high	18 Å²	18	33 Å²	33	7%	0.071	20%	0.202	C	C	.	.			trans	-72.7	129.2	174.2	171.8	-102.1	0	0	0	111.5	I502 L568 P569 L570 D588 E589 I594 R667	I502-Y586 HydrophobicContact CD1-CD2 4.32Å; I502-Y586 HydrophobicContact CD1-CE1 4.05Å; I502-Y586 HydrophobicContact CD1-CE2 3.68Å; L568-Y586 HydrophobicContact CD1-CD2 4.02Å; L568-Y586 HydrophobicContact CD2-CD2 4.21Å; L568-Y586 HydrophobicContact CG-CD2 4.38Å; P569-Y586 PolarHBondContact O-N 3.48Å; L570-Y586 HydrophobicContact CD2-CD1 4Å; L570-Y586 HydrophobicContact CD2-CG 4.04Å; Y586-D588 HydrophobicContact CE1-CB 4.37Å; Y586-D588 WeakPolarHBondContact CE1-OD1 3.42Å; Y586-D588 VanDerWaalsContact CZ-CA 3.41Å; Y586-D588 WeakPolarHBondContact OH-CA 3.2Å; Y586-D588 PolarHBondContact OH-OD1 3.02Å; Y586-E589 HydrophobicContact CE2-CB 4.32Å; Y586-E589 WeakPolarHBondContact CE2-O 3.46Å; Y586-I594 HydrophobicContact CD2-CD1 4.08Å; Y586-I594 HydrophobicContact CE2-CD1 3.73Å; Y586-R667 PolarHBondContact O-NH1 3.49Å; Y586-R667 VanDerWaalsContact O-NH1 3.12Å
587	T	83.6	Confident	90.4	Very high	105 Å²	105	33.6 Å²	33.6	64%	0.644	21%	0.205	S	C	*	.			trans	-117.5	34.8	-172.7	47	0	0	0	0	112.4	E589 L926	T587-E589 VanDerWaalsContact C-N 3.25Å; T587-E589 PolarHBondContact O-N 3.23Å; T587-L926 HydrophobicContact CG2-CD1 4.22Å
588	D	83.5	Confident	90.5	Very high	93 Å²	93	33.5 Å²	33.5	50%	0.497	20%	0.204	S	C	.	.			trans	59.9	27.8	-173.9	-86.8	-45.8	0	0	0	115.6	Y586	Y586-D588 HydrophobicContact CE1-CB 4.37Å; Y586-D588 WeakPolarHBondContact CE1-OD1 3.42Å; Y586-D588 VanDerWaalsContact CZ-CA 3.41Å; Y586-D588 WeakPolarHBondContact OH-CA 3.2Å; Y586-D588 PolarHBondContact OH-OD1 3.02Å
589	E	85.4	Confident	90.5	Very high	41 Å²	41	33.7 Å²	33.7	19%	0.192	21%	0.207	C	C	.	.			trans	-50.4	133.4	171.2	-174.8	-178.9	-135.7	0	0	111.5	Y586 T587 V591 K593 I594	Y586-E589 HydrophobicContact CE2-CB 4.32Å; Y586-E589 WeakPolarHBondContact CE2-O 3.46Å; T587-E589 VanDerWaalsContact C-N 3.25Å; T587-E589 PolarHBondContact O-N 3.23Å; E589-V591 PolarHBondContact O-N 3.35Å; E589-V591 VanDerWaalsContact O-N 3.13Å; E589-K593 HydrophobicContact CG-CB 4.22Å; E589-K593 HydrophobicContact CG-CD 4.29Å; E589-K593 HydrophobicContact CG-CG 4.42Å; E589-K593 WeakPolarHBondContact OE1-CD 3.34Å; E589-K593 WeakPolarHBondContact OE1-CE 3.43Å; E589-K593 VanDerWaalsContact OE1-CG 3.31Å; E589-K593 WeakPolarHBondContact OE1-CG 3.15Å; E589-K593 IonicContact OE1-NZ 2.78Å; E589-I594 HydrophobicContact CB-CD1 4.49Å; E589-I594 HydrophobicContact CG-CG1 4.39Å; E589-I594 WeakPolarHBondContact OE2-CG1 3.12Å
590	P	88.8	Confident	90.4	Very high	82 Å²	82	37.1 Å²	37.1	53%	0.532	22%	0.222	S	C	.	.			trans	-55.9	123	179.2	-26.5	34.7	0	0	0	112	S592 K593 I594	P590-S592 PolarHBondContact O-N 3.33Å; P590-K593 WeakPolarHBondContact O-CB 3.49Å; P590-K593 PolarHBondContact O-N 3.22Å; P590-I594 PolarHBondContact O-N 2.86Å
591	V	92.2	Very high	90.3	Very high	6 Å²	6	37.1 Å²	37.1	4%	0.036	22%	0.222	C	C	.	.	H	α-helix	trans	-51.6	-22.1	178.2	171.3	0	0	0	0	113.7	I502 F506 Y509 E589 I594 L595	I502-V591 HydrophobicContact CD1-CG2 4.15Å; I502-V591 HydrophobicContact CG1-CG2 3.93Å; F506-V591 HydrophobicContact CD1-CG1 3.73Å; F506-V591 HydrophobicContact CE1-CG1 3.61Å; F506-V591 HydrophobicContact CG-CG1 4.42Å; F506-V591 HydrophobicContact CZ-CG1 4.21Å; Y509-V591 HydrophobicContact CD2-CB 3.93Å; Y509-V591 HydrophobicContact CD2-CG1 3.65Å; Y509-V591 HydrophobicContact CE2-CB 3.95Å; Y509-V591 HydrophobicContact CE2-CG1 4.19Å; Y509-V591 HydrophobicContact CG-CG1 4.38Å; E589-V591 PolarHBondContact O-N 3.35Å; E589-V591 VanDerWaalsContact O-N 3.13Å; V591-I594 HydrophobicContact CG2-CD1 4.45Å; V591-L595 HydrophobicContact CG1-CD1 4.2Å; V591-L595 HydrophobicContact CG1-CG 4.22Å; V591-L595 WeakPolarHBondContact O-CB 3.43Å; V591-L595 VanDerWaalsContact O-CG 3.28Å; V591-L595 WeakPolarHBondContact O-CG 3.18Å; V591-L595 PolarHBondContact O-N 2.98Å
592	S	90.4	Very high	90.4	Very high	42 Å²	42	39.8 Å²	39.8	29%	0.294	24%	0.237	S	C	.	.	H	α-helix	trans	-63.8	-38.3	170.3	-169.3	0	0	0	0	113.9	H425 P590 S596	H425-S592 PolarHBondContact CE1-O 3.02Å; H425-S592 PolarHBondContact NE2-O 2.93Å; H425-S592 PolarHBondContact NE2-OG 3.44Å; P590-S592 PolarHBondContact O-N 3.33Å; S592-S596 PolarHBondContact O-N 3.01Å; S592-S596 PolarHBondContact O-OG 2.98Å
593	K	89.9	Confident	90.6	Very high	68 Å²	68	42.6 Å²	42.6	30%	0.296	26%	0.255	S	S	.	.	H	α-helix	trans	-73	-41.7	176.9	-175	167.1	168.1	174.2	0	110.2	E589 P590 L595 S596 H597 D909 T912	E589-K593 HydrophobicContact CG-CB 4.22Å; E589-K593 HydrophobicContact CG-CD 4.29Å; E589-K593 HydrophobicContact CG-CG 4.42Å; E589-K593 WeakPolarHBondContact OE1-CD 3.34Å; E589-K593 WeakPolarHBondContact OE1-CE 3.43Å; E589-K593 VanDerWaalsContact OE1-CG 3.31Å; E589-K593 WeakPolarHBondContact OE1-CG 3.15Å; E589-K593 IonicContact OE1-NZ 2.78Å; P590-K593 WeakPolarHBondContact O-CB 3.49Å; P590-K593 PolarHBondContact O-N 3.22Å; K593-L595 PolarHBondContact O-N 3.37Å; K593-S596 PolarHBondContact O-N 3.41Å; K593-H597 WeakPolarHBondContact CE-NE2 3.16Å; K593-H597 WeakPolarHBondContact CG-NE2 3.17Å; K593-H597 PolarHBondContact O-CD2 2.75Å; K593-H597 PolarHBondContact O-N 3Å; K593-D909 IonicContact NZ-OD2 3.79Å; K593-T912 PolarHBondContact NZ-OG1 2.91Å; K593-T912 VanDerWaalsContact NZ-OG1 3.08Å
594	I	94.4	Very high	91	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-55.9	-48.7	171.1	-62.3	168.1	0	0	0	111.4	I502 F506 L539 L568 Y586 E589 P590 V591 S596 H597 V598	I502-I594 HydrophobicContact CD1-CD1 4.49Å; F506-I594 HydrophobicContact CZ-CG2 4.45Å; L539-I594 HydrophobicContact CD2-CG2 4.03Å; L568-I594 HydrophobicContact CD1-CD1 3.6Å; L568-I594 HydrophobicContact CD1-CG1 4.1Å; L568-I594 HydrophobicContact CD1-CG2 4.26Å; L568-I594 HydrophobicContact CD2-CD1 4.16Å; Y586-I594 HydrophobicContact CD2-CD1 4.08Å; Y586-I594 HydrophobicContact CE2-CD1 3.73Å; E589-I594 HydrophobicContact CB-CD1 4.49Å; E589-I594 HydrophobicContact CG-CG1 4.39Å; E589-I594 WeakPolarHBondContact OE2-CG1 3.12Å; P590-I594 PolarHBondContact O-N 2.86Å; V591-I594 HydrophobicContact CG2-CD1 4.45Å; I594-S596 PolarHBondContact O-N 2.92Å; I594-H597 PolarHBondContact O-N 3.29Å; I594-V598 HydrophobicContact CG2-CG2 4.3Å; I594-V598 VanDerWaalsContact O-CG2 3.31Å; I594-V598 WeakPolarHBondContact O-CG2 3.27Å; I594-V598 PolarHBondContact O-N 3.46Å
595	L	95.4	Very high	91.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.7	-40.3	179.4	-72.8	176	0	0	0	112.5	H425 V428 L486 F506 Y509 L510 V591 K593 V598 E599	H425-L595 HydrophobicContact CB-CD1 4.43Å; V428-L595 HydrophobicContact CG2-CD2 4.38Å; L486-L595 HydrophobicContact CD2-CD2 3.52Å; F506-L595 HydrophobicContact CE1-CD2 4.27Å; Y509-L595 HydrophobicContact CG-CD1 4.3Å; L510-L595 HydrophobicContact CD1-CD2 4.3Å; L510-L595 HydrophobicContact CD2-CD1 4.06Å; L510-L595 HydrophobicContact CD2-CD2 3.97Å; L510-L595 HydrophobicContact CG-CD1 4.49Å; L510-L595 HydrophobicContact CG-CD2 4.38Å; V591-L595 HydrophobicContact CG1-CD1 4.2Å; V591-L595 HydrophobicContact CG1-CG 4.22Å; V591-L595 WeakPolarHBondContact O-CB 3.43Å; V591-L595 VanDerWaalsContact O-CG 3.28Å; V591-L595 WeakPolarHBondContact O-CG 3.18Å; V591-L595 PolarHBondContact O-N 2.98Å; K593-L595 PolarHBondContact O-N 3.37Å; L595-V598 PolarHBondContact O-N 3.02Å; L595-E599 WeakPolarHBondContact O-CB 3.4Å; L595-E599 PolarHBondContact O-N 3.33Å
596	S	93.4	Very high	92.1	Very high	37 Å²	37	42.6 Å²	42.6	26%	0.259	23%	0.234	S	C	.	.	H	α-helix	trans	-60.5	-46.7	171.3	-73.2	0	0	0	0	111.8	S592 K593 I594 V598 E599 E600	S592-S596 PolarHBondContact O-N 3.01Å; S592-S596 PolarHBondContact O-OG 2.98Å; K593-S596 PolarHBondContact O-N 3.41Å; I594-S596 PolarHBondContact O-N 2.92Å; S596-V598 VanDerWaalsContact C-N 3.32Å; S596-V598 PolarHBondContact O-N 3.1Å; S596-E599 PolarHBondContact O-N 2.6Å; S596-E599 VanDerWaalsContact O-N 3.1Å; S596-E600 VanDerWaalsContact O-CB 3.27Å; S596-E600 WeakPolarHBondContact O-CB 3.35Å; S596-E600 VanDerWaalsContact O-CG 3.31Å; S596-E600 WeakPolarHBondContact O-CG 3.42Å; S596-E600 PolarHBondContact O-N 2.85Å
597	H	93.7	Very high	92.6	Very high	13 Å²	13	41.7 Å²	41.7	6%	0.06	23%	0.23	C	C	.	.	H	α-helix	trans	-63.3	-34.7	176.7	-70.8	-49.5	0	0	0	113.3	W582 K593 I594 E599 G601 K814	W582-H597 HydrophobicContact CH2-CB 3.96Å; W582-H597 HydrophobicContact CZ3-CB 3.86Å; K593-H597 WeakPolarHBondContact CE-NE2 3.16Å; K593-H597 WeakPolarHBondContact CG-NE2 3.17Å; K593-H597 PolarHBondContact O-CD2 2.75Å; K593-H597 PolarHBondContact O-N 3Å; I594-H597 PolarHBondContact O-N 3.29Å; H597-E599 VanDerWaalsContact C-N 3.33Å; H597-G601 WeakPolarHBondContact O-CA 3.15Å; H597-G601 PolarHBondContact O-N 3.29Å; H597-K814 HydrophobicContact CB-CG 4.2Å; H597-K814 VanDerWaalsContact CD2-CE 3.41Å; H597-K814 WeakPolarHBondContact CD2-CE 3.38Å; H597-K814 WeakPolarHBondContact NE2-CE 3.36Å
598	V	95.5	Very high	93.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-72.9	-24.8	174.6	174.9	0	0	0	0	112.1	L486 R537 L539 A566 W582 I594 L595 S596	L486-V598 HydrophobicContact CD1-CG1 3.58Å; L486-V598 HydrophobicContact CD2-CG1 3.87Å; L486-V598 HydrophobicContact CG-CG1 4.35Å; R537-V598 WeakPolarHBondContact CD-O 3.39Å; R537-V598 PolarHBondContact NH1-O 3.42Å; L539-V598 HydrophobicContact CD1-CG2 3.89Å; L539-V598 HydrophobicContact CD2-CG2 4.26Å; L539-V598 HydrophobicContact CG-CG2 4.49Å; A566-V598 HydrophobicContact CB-CG1 4.32Å; A566-V598 HydrophobicContact CB-CG2 3.97Å; W582-V598 HydrophobicContact CH2-CB 4.47Å; W582-V598 HydrophobicContact CH2-CG2 3.59Å; W582-V598 HydrophobicContact CZ2-CG2 4.48Å; W582-V598 HydrophobicContact CZ3-CG2 4.08Å; I594-V598 HydrophobicContact CG2-CG2 4.3Å; I594-V598 VanDerWaalsContact O-CG2 3.31Å; I594-V598 WeakPolarHBondContact O-CG2 3.27Å; I594-V598 PolarHBondContact O-N 3.46Å; L595-V598 PolarHBondContact O-N 3.02Å; S596-V598 VanDerWaalsContact C-N 3.32Å; S596-V598 PolarHBondContact O-N 3.1Å
599	E	93.6	Very high	94	Very high	48 Å²	48	32.3 Å²	32.3	22%	0.224	18%	0.176	C	C	.	.	H	α-helix	trans	-82.4	-47.2	173.2	-165.8	176.5	141.9	0	0	112.2	A427 V428 K484 R537 L595 S596 H597	A427-E599 HydrophobicContact CB-CG 4.49Å; A427-E599 WeakPolarHBondContact CB-OE1 3.26Å; V428-E599 HydrophobicContact CG1-CB 3.85Å; V428-E599 HydrophobicContact CG1-CG 3.99Å; K484-E599 HydrophobicContact CD-CG 3.88Å; K484-E599 VanDerWaalsContact CD-O 3.29Å; K484-E599 WeakPolarHBondContact CD-O 3.15Å; K484-E599 PolarHBondContact NZ-O 3.18Å; R537-E599 PolarHBondContact NH1-O 3.36Å; L595-E599 WeakPolarHBondContact O-CB 3.4Å; L595-E599 PolarHBondContact O-N 3.33Å; S596-E599 PolarHBondContact O-N 2.6Å; S596-E599 VanDerWaalsContact O-N 3.1Å; H597-E599 VanDerWaalsContact C-N 3.33Å
600	E	91.8	Very high	94.5	Very high	86 Å²	86	33 Å²	33	40%	0.402	18%	0.181	S	C	.	.	H	α-helix	trans	-72.6	-33.5	-177.9	-70.1	167.1	-154.7	0	0	112.4	S596 R817	S596-E600 VanDerWaalsContact O-CB 3.27Å; S596-E600 WeakPolarHBondContact O-CB 3.35Å; S596-E600 VanDerWaalsContact O-CG 3.31Å; S596-E600 WeakPolarHBondContact O-CG 3.42Å; S596-E600 PolarHBondContact O-N 2.85Å; E600-R817 IonicContact OE1-NH2 3.65Å; E600-R817 IonicContact OE2-NH2 2.67Å; E600-R817 PolarHBondContact OE2-NH2 2.91Å
601	G	93.4	Very high	94.9	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.01	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-55.2	144.1	-167.7	0	0	0	0	0	115.8	R537 H597 Q813	R537-G601 VanDerWaalsContact CZ-O 3.31Å; R537-G601 PolarHBondContact NH1-O 2.79Å; R537-G601 PolarHBondContact NH2-O 3.47Å; H597-G601 WeakPolarHBondContact O-CA 3.15Å; H597-G601 PolarHBondContact O-N 3.29Å; G601-Q813 CarbonylContact C-O 3.48Å; G601-Q813 WeakPolarHBondContact CA-O 3.39Å
602	N	94.6	Very high	95	Very high	91 Å²	91	34.9 Å²	34.9	49%	0.487	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	151.3	-179.7	-70.7	-19.9	0	0	0	110.8	V812 Q813	N602-V812 CarbonylContact O-C 3.53Å; N602-V812 VanDerWaalsContact O-CA 3.27Å; N602-V812 WeakPolarHBondContact O-CA 3.34Å; N602-Q813 PolarHBondContact N-O 3.15Å; N602-Q813 VanDerWaalsContact N-O 3.07Å; N602-Q813 PolarHBondContact O-N 3.21Å
603	V	95.8	Very high	95.2	Very high	76 Å²	76	34.2 Å²	34.2	46%	0.461	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120.7	173.3	-178.7	0	0	0	0	108.1	P564 T810 M811	P564-V603 HydrophobicContact CB-CG1 4.22Å; P564-V603 HydrophobicContact CB-CG2 4.44Å; P564-V603 HydrophobicContact CG-CG2 4.32Å; V603-T810 HydrophobicContact CG1-CG2 3.26Å; V603-M811 WeakPolarHBondContact CA-O 3.41Å
604	V	96.4	Very high	95.5	Very high	27 Å²	27	34.2 Å²	34.2	16%	0.164	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	168	178.2	-57.6	0	0	0	0	109.5	L580 M811 Q813	L580-V604 HydrophobicContact CD2-CG2 3.68Å; V604-M811 HydrophobicContact CG2-CB 3.99Å; V604-M811 PolarHBondContact N-O 3.03Å; V604-M811 PolarHBondContact O-N 2.94Å; V604-Q813 HydrophobicContact CG1-CB 3.91Å; V604-Q813 HydrophobicContact CG2-CB 4.08Å
605	Q	97.3	Very high	95.4	Very high	60 Å²	60	38 Å²	38	28%	0.28	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	165.7	165.9	-55.8	-48.9	-38.3	0	0	110.4	H744 D745 Q808 A809 T810	Q605-H744 PolarHBondContact O-CD2 3.35Å; Q605-D745 HydrophobicContact CB-CB 4.34Å; Q605-Q808 HydrophobicContact CB-CB 4.1Å; Q605-Q808 HydrophobicContact CB-CG 4.18Å; Q605-Q808 HydrophobicContact CG-CB 4.38Å; Q605-A809 CarbonylContact C-O 3.59Å; Q605-A809 WeakPolarHBondContact CA-O 3.31Å; Q605-A809 PolarHBondContact OE1-O 3.03Å; Q605-T810 PolarHBondContact OE1-OG1 3.04Å
606	L	97.8	Very high	95.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	114.8	171.4	172.8	65.4	0	0	0	106.2	L551 L576 I720 H744 Q808 A809 M811	L551-L606 HydrophobicContact CD1-CD2 4.35Å; L576-L606 HydrophobicContact CD1-CD1 3.92Å; L576-L606 HydrophobicContact CD1-CD2 3.78Å; L576-L606 HydrophobicContact CD2-CD2 4.06Å; L606-I720 HydrophobicContact CD1-CG2 4Å; L606-H744 CarbonylContact C-O 3.53Å; L606-H744 VanDerWaalsContact CA-O 3.25Å; L606-H744 WeakPolarHBondContact CA-O 3.46Å; L606-H744 HydrophobicContact CD1-CB 4.12Å; L606-Q808 CarbonylContact O-C 3.55Å; L606-Q808 WeakPolarHBondContact O-CA 3.38Å; L606-A809 PolarHBondContact N-O 2.88Å; L606-A809 PolarHBondContact O-N 2.75Å; L606-M811 HydrophobicContact CB-CG 3.56Å; L606-M811 HydrophobicContact CD2-CE 4.34Å; L606-M811 HydrophobicContact CD2-CG 3.95Å; L606-M811 HydrophobicContact CD2-SD 4.16Å; L606-M811 HydrophobicContact CG-CG 4.42Å
607	D	98	Very high	94.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	150.6	171.4	-74.3	-53.7	0	0	0	110.6	N719 H744 D745 D746 G747 L805 Q808	D607-N719 WeakPolarHBondContact CB-OD1 3.36Å; D607-N719 PolarHBondContact O-ND2 3.33Å; D607-N719 PolarHBondContact O-OD1 2.91Å; D607-H744 PolarHBondContact N-O 3.17Å; D607-D745 WeakPolarHBondContact OD2-CA 3.29Å; D607-D745 PolarHBondContact OD2-N 2.93Å; D607-D746 PolarHBondContact OD2-N 3.05Å; D607-G747 PolarHBondContact OD2-N 3.37Å; D607-L805 HydrophobicContact CB-CD1 3.8Å; D607-L805 WeakPolarHBondContact OD1-CD1 2.98Å; D607-Q808 WeakPolarHBondContact OD1-CG 3.41Å; D607-Q808 PolarHBondContact OD1-NE2 2.84Å; D607-Q808 PolarHBondContact OD2-NE2 2.94Å
608	R	97.4	Very high	94.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	143.9	-176.8	-62.1	177.5	65.8	-126.6	7.7	109.6	S552 D555 V636 N638 R806 N807 A809	S552-R608 PolarHBondContact OG-NH2 3.06Å; S552-R608 VanDerWaalsContact OG-NH2 3.14Å; D555-R608 VanDerWaalsContact CG-NH1 3.33Å; D555-R608 IonicContact OD1-NH1 3.69Å; D555-R608 PolarHBondContact OD1-NH1 2.78Å; D555-R608 IonicContact OD2-CZ 3.37Å; D555-R608 IonicContact OD2-NH1 2.9Å; D555-R608 PolarHBondContact OD2-NH1 3.03Å; D555-R608 IonicContact OD2-NH2 3.55Å; R608-V636 HydrophobicContact CB-CG1 4.22Å; R608-N638 PolarHBondContact NE-OD1 2.88Å; R608-N638 PolarHBondContact NH2-OD1 2.9Å; R608-R806 VanDerWaalsContact O-CB 3.3Å; R608-R806 WeakPolarHBondContact O-CB 3.5Å; R608-R806 PolarHBondContact O-N 2.91Å; R608-N807 WeakPolarHBondContact CB-O 3.46Å; R608-N807 PolarHBondContact N-O 2.89Å; R608-N807 PolarHBondContact NH1-OD1 3.36Å; R608-N807 PolarHBondContact O-N 2.83Å; R608-A809 VanDerWaalsContact CD-CB 3.41Å; R608-A809 HydrophobicContact CG-CB 4.3Å
609	W	97.8	Very high	93.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	123.8	-160.7	-63.6	87.4	0	0	0	110.9	V636 F637 N719 G747 Y748 L749 R775 I803 A804 L805	W609-V636 VanDerWaalsContact O-CA 3.26Å; W609-V636 WeakPolarHBondContact O-CA 3.22Å; W609-V636 WeakPolarHBondContact O-CG1 3.5Å; W609-F637 HydrophobicContact CB-CD1 3.76Å; W609-F637 HydrophobicContact CB-CD2 4.38Å; W609-F637 HydrophobicContact CB-CE1 3.45Å; W609-F637 VanDerWaalsContact CB-CE1 3.45Å; W609-F637 HydrophobicContact CB-CE2 4.1Å; W609-F637 HydrophobicContact CB-CG 4.24Å; W609-F637 HydrophobicContact CB-CZ 3.63Å; W609-F637 AromaticContact CD1-CE2 3.99Å; W609-F637 HydrophobicContact CG-CE1 4.22Å; W609-F637 HydrophobicContact CG-CE2 4.16Å; W609-F637 AromaticContact CG-CZ 3.89Å; W609-F637 HydrophobicContact CG-CZ 3.89Å; W609-F637 PolarHBondContact N-O 3.37Å; W609-F637 VanDerWaalsContact N-O 3.17Å; W609-F637 PolarHBondContact O-N 2.99Å; W609-N719 PolarHBondContact NE1-OD1 2.8Å; W609-G747 WeakPolarHBondContact CH2-O 3.48Å; W609-Y748 VanDerWaalsContact CZ2-O 3.3Å; W609-Y748 WeakPolarHBondContact CZ2-O 3.43Å; W609-L749 HydrophobicContact CD2-CD1 3.8Å; W609-L749 HydrophobicContact CD2-CD2 3.71Å; W609-L749 HydrophobicContact CD2-CG 3.69Å; W609-L749 HydrophobicContact CE3-CD1 3.57Å; W609-L749 HydrophobicContact CE3-CD2 4.32Å; W609-L749 HydrophobicContact CE3-CG 3.79Å; W609-L749 HydrophobicContact CG-CD1 4.37Å; W609-L749 HydrophobicContact CG-CD2 3.92Å; W609-L749 HydrophobicContact CG-CG 4.37Å; W609-L749 HydrophobicContact CH2-CD1 4.36Å; W609-L749 HydrophobicContact CH2-CG 3.82Å; W609-L749 HydrophobicContact CZ2-CD2 4.04Å; W609-L749 HydrophobicContact CZ2-CG 3.72Å; W609-L749 HydrophobicContact CZ3-CD1 3.86Å; W609-L749 HydrophobicContact CZ3-CG 3.84Å; W609-R775 WeakPolarHBondContact CZ3-O 3.11Å; W609-I803 HydrophobicContact CB-CG2 4.15Å; W609-I803 HydrophobicContact CE3-CG2 4.24Å; W609-A804 CarbonylContact C-O 3.55Å; W609-A804 WeakPolarHBondContact CA-O 3.44Å; W609-L805 HydrophobicContact CD2-CD1 4.33Å; W609-L805 HydrophobicContact CE3-CB 4.17Å; W609-L805 VanDerWaalsContact CE3-N 3.32Å; W609-L805 HydrophobicContact CH2-CB 3.94Å; W609-L805 HydrophobicContact CH2-CD1 4.18Å; W609-L805 HydrophobicContact CZ2-CB 4.42Å; W609-L805 HydrophobicContact CZ2-CD1 3.8Å; W609-L805 HydrophobicContact CZ3-CB 3.81Å
610	D	97.2	Very high	92.4	Very high	57 Å²	57	50.2 Å²	50.2	31%	0.305	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	138.1	174.4	-81.3	-28.2	0	0	0	109.8	I803 A804 R806	D610-I803 WeakPolarHBondContact O-CA 3.39Å; D610-A804 PolarHBondContact N-O 3.4Å; D610-A804 PolarHBondContact O-N 3.38Å; D610-R806 HydrophobicContact CB-CB 4.3Å; D610-R806 VanDerWaalsContact CG-CB 3.49Å; D610-R806 WeakPolarHBondContact OD1-CB 3.33Å; D610-R806 WeakPolarHBondContact OD1-CD 3.41Å; D610-R806 WeakPolarHBondContact OD1-CG 3.41Å; D610-R806 IonicContact OD1-CZ 3.21Å; D610-R806 IonicContact OD1-NE 2.73Å; D610-R806 IonicContact OD1-NH1 2.8Å; D610-R806 PolarHBondContact OD1-NH1 2.6Å
611	L	96.1	Very high	91	Very high	14 Å²	14	51.7 Å²	51.7	7%	0.073	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	115.9	171	-66.6	178.3	0	0	0	109.9	L632 D635 F637 F641 V789 I801 I803	L611-L632 HydrophobicContact CB-CD1 3.75Å; L611-L632 HydrophobicContact CD1-CD1 4.11Å; L611-L632 HydrophobicContact CG-CD1 4.47Å; L611-D635 PolarHBondContact N-O 2.82Å; L611-F637 HydrophobicContact CD1-CD1 3.93Å; L611-F637 HydrophobicContact CD2-CD1 3.83Å; L611-F637 HydrophobicContact CD2-CE1 3.83Å; L611-F637 HydrophobicContact CG-CD1 3.82Å; L611-F637 HydrophobicContact CG-CE1 4.33Å; L611-F641 HydrophobicContact CD1-CD2 4.1Å; L611-F641 HydrophobicContact CD1-CG 4.43Å; L611-F641 HydrophobicContact CD2-CG 4.37Å; L611-V789 HydrophobicContact CD1-CB 4.37Å; L611-V789 HydrophobicContact CD1-CG1 3.55Å; L611-V789 HydrophobicContact CD1-CG2 3.82Å; L611-I801 HydrophobicContact CD2-CG2 4.43Å; L611-I803 HydrophobicContact CD2-CB 4.31Å; L611-I803 HydrophobicContact CD2-CD1 4.04Å; L611-I803 HydrophobicContact CD2-CG1 3.72Å; L611-I803 HydrophobicContact CD2-CG2 4.03Å
612	H	95.7	Very high	89.5	Confident	112 Å²	112	60.8 Å²	60.8	52%	0.519	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	104.7	172.6	-176.5	-78	0	0	0	110.4	I801 R802	H612-I801 WeakPolarHBondContact O-CA 3.27Å; H612-R802 HydrophobicContact CB-CB 4.44Å; H612-R802 PolarHBondContact N-O 2.94Å; H612-R802 PolarHBondContact O-N 3.25Å
613	A	94.8	Very high	87.9	Confident	28 Å²	28	59.8 Å²	59.8	23%	0.231	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	128.7	170.9	0	0	0	0	0	110.8	L632 R800 I801	A613-L632 HydrophobicContact CB-CD1 3.86Å; A613-L632 HydrophobicContact CB-CG 4.02Å; A613-R800 WeakPolarHBondContact CA-O 3.35Å; A613-I801 HydrophobicContact CB-CG1 4.25Å
614	E	94.6	Very high	86.3	Confident	69 Å²	69	65.5 Å²	65.5	32%	0.322	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	145.8	167.6	64.1	-168.4	-175.6	0	0	109.2	N616 S799 R800	E614-N616 PolarHBondContact O-N 2.97Å; E614-S799 CarbonylContact O-C 3.47Å; E614-S799 VanDerWaalsContact O-CA 3.32Å; E614-S799 WeakPolarHBondContact O-CA 3.19Å; E614-R800 HydrophobicContact CG-CB 3.85Å; E614-R800 HydrophobicContact CG-CG 4.44Å; E614-R800 PolarHBondContact N-O 2.71Å; E614-R800 PolarHBondContact O-N 3.01Å; E614-R800 WeakPolarHBondContact OE1-CD 3.47Å; E614-R800 IonicContact OE1-CZ 3.55Å; E614-R800 IonicContact OE1-NE 2.69Å; E614-R800 IonicContact OE1-NH1 3.8Å; E614-R800 PolarHBondContact OE1-NH1 3.06Å
615	P	92.1	Very high	85	Confident	80 Å²	80	67.6 Å²	67.6	52%	0.519	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	139.4	176.5	-24.3	34.6	0	0	0	111.5	P617	P615-P617 VanDerWaalsContact O-CD 3.3Å; P615-P617 WeakPolarHBondContact O-CD 3.41Å
616	N	91.1	Very high	83.6	Confident	17 Å²	17	74.5 Å²	74.5	9%	0.091	39%	0.392	C	S	.	.			trans	-73	116.7	179.5	-177.7	4.1	0	0	0	110.3	E614 E618 A619 T780 T781 A798	E614-N616 PolarHBondContact O-N 2.97Å; N616-E618 PolarHBondContact O-N 2.99Å; N616-E618 WeakPolarHBondContact OD1-CB 3.32Å; N616-E618 PolarHBondContact OD1-N 2.93Å; N616-A619 HydrophobicContact CB-CB 4.27Å; N616-A619 PolarHBondContact O-N 3.01Å; N616-T780 WeakPolarHBondContact ND2-CG2 3.31Å; N616-T781 PolarHBondContact ND2-O 3.45Å; N616-A798 HydrophobicContact CB-CB 4.28Å; N616-A798 WeakPolarHBondContact CB-O 3.34Å; N616-A798 PolarHBondContact N-O 3.11Å
617	P	84.8	Confident	82.5	Confident	115 Å²	115	77.1 Å²	77.1	75%	0.747	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-10.3	178.8	32.1	-37	0	0	0	113.8	P615	P615-P617 VanDerWaalsContact O-CD 3.3Å; P615-P617 WeakPolarHBondContact O-CD 3.41Å
618	E	83.5	Confident	81.8	Confident	161 Å²	161	78.6 Å²	78.6	75%	0.752	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-5	179.1	-57.9	173.8	175	0	0	112.8	N616	N616-E618 PolarHBondContact O-N 2.99Å; N616-E618 WeakPolarHBondContact OD1-CB 3.32Å; N616-E618 PolarHBondContact OD1-N 2.93Å
619	A	79.6	Confident	81.5	Confident	31 Å²	31	81.1 Å²	81.1	26%	0.256	45%	0.446	S	S	.	.	S	Bend	trans	-85.2	145.9	-179	0	0	0	0	0	112.8	N616 A798	N616-A619 HydrophobicContact CB-CB 4.27Å; N616-A619 PolarHBondContact O-N 3.01Å; A619-A798 HydrophobicContact CB-CB 3.48Å; A619-A798 VanDerWaalsContact CB-CB 3.48Å
620	G	69.6	Low	80.9	Confident	29 Å²	29	85.1 Å²	85.1	30%	0.299	47%	0.468	S	S	.	.			trans	-79.7	161.7	-176.1	0	0	0	0	0	113.7	E622 D623	G620-E622 PolarHBondContact O-N 2.85Å; G620-D623 WeakPolarHBondContact CA-OD2 3.11Å; G620-D623 PolarHBondContact N-OD2 3.31Å; G620-D623 PolarHBondContact O-N 2.64Å
621	P	63.3	Low	80.6	Confident	117 Å²	117	91.8 Å²	91.8	76%	0.76	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-60	-26.4	168.8	-22.4	34.2	0	0	0	113.1
622	E	61.6	Low	80.4	Confident	192 Å²	192	92.4 Å²	92.4	90%	0.897	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-76.6	-20.1	-179	-59	-177.3	170.6	0	0	112.9	G620 R624	G620-E622 PolarHBondContact O-N 2.85Å; E622-R624 PolarHBondContact O-N 3.12Å
623	D	60.6	Low	80.1	Confident	71 Å²	71	89.9 Å²	89.9	38%	0.38	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-78.6	4.3	177.3	-63.4	-70.3	0	0	0	113.6	G620 D625	G620-D623 WeakPolarHBondContact CA-OD2 3.11Å; G620-D623 PolarHBondContact N-OD2 3.31Å; G620-D623 PolarHBondContact O-N 2.64Å; D623-D625 PolarHBondContact O-N 3.09Å; D623-D625 VanDerWaalsContact O-N 3.16Å
624	R	63.6	Low	80	Confident	195 Å²	195	91.6 Å²	91.6	74%	0.736	49%	0.49	S	S	*	.			trans	-85.7	83.4	-176.6	-75.3	-171.4	146.4	-150.4	-14.2	112.9	E622	E622-R624 PolarHBondContact O-N 3.12Å
625	D	69.4	Low	80	Confident	71 Å²	71	92.8 Å²	92.8	38%	0.38	50%	0.499	S	S	.	.			trans	-64.8	123.1	169.8	-170.1	-61.7	0	0	0	111.8	D623 G627 A628 A784 K795	D623-D625 PolarHBondContact O-N 3.09Å; D623-D625 VanDerWaalsContact O-N 3.16Å; D625-G627 PolarHBondContact O-N 3.2Å; D625-G627 VanDerWaalsContact O-N 3.07Å; D625-G627 PolarHBondContact OD1-N 3.36Å; D625-A628 HydrophobicContact CB-CB 4.26Å; D625-A628 WeakPolarHBondContact O-CB 3.47Å; D625-A628 PolarHBondContact O-N 2.95Å; D625-A784 HydrophobicContact CB-CB 4Å; D625-K795 WeakPolarHBondContact OD1-CE 3.41Å; D625-K795 IonicContact OD1-NZ 3.27Å; D625-K795 PolarHBondContact OD1-NZ 2.74Å; D625-K795 VanDerWaalsContact OD2-CE 3.28Å; D625-K795 WeakPolarHBondContact OD2-CE 3.45Å; D625-K795 IonicContact OD2-NZ 3.72Å; D625-K795 PolarHBondContact OD2-NZ 3.37Å
626	E	66.8	Low	80.2	Confident	206 Å²	206	89.1 Å²	89.1	96%	0.963	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.1	-175.6	-66.9	-165.8	136.5	0	0	114.3
627	G	74.3	Confident	80.4	Confident	55 Å²	55	88.3 Å²	88.3	57%	0.567	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	1.9	177.1	0	0	0	0	0	114.9	D625	D625-G627 PolarHBondContact O-N 3.2Å; D625-G627 VanDerWaalsContact O-N 3.07Å; D625-G627 PolarHBondContact OD1-N 3.36Å
628	A	84.2	Confident	81	Confident	30 Å²	30	83.1 Å²	83.1	25%	0.248	44%	0.437	C	S	.	.			trans	-90.9	146.4	-174.7	0	0	0	0	0	113.8	D625 A784 K795 A797	D625-A628 HydrophobicContact CB-CB 4.26Å; D625-A628 WeakPolarHBondContact O-CB 3.47Å; D625-A628 PolarHBondContact O-N 2.95Å; A628-A784 HydrophobicContact CB-CB 3.92Å; A628-K795 CarbonylContact C-O 3.45Å; A628-K795 WeakPolarHBondContact CA-O 3.44Å; A628-A797 HydrophobicContact CB-CB 4.09Å
629	T	89.9	Confident	81.6	Confident	54 Å²	54	75.5 Å²	75.5	33%	0.331	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-104.1	138.2	174.2	167.9	0	0	0	0	111.6	R631 C794 K795 L796 A797	T629-R631 VanDerWaalsContact CG2-O 3.27Å; T629-R631 WeakPolarHBondContact CG2-O 3.31Å; T629-R631 PolarHBondContact O-N 3.13Å; T629-R631 PolarHBondContact OG1-N 2.68Å; T629-R631 PolarHBondContact OG1-O 3.18Å; T629-C794 HydrophobicContact CG2-CB 3.77Å; T629-K795 VanDerWaalsContact CG2-O 3.3Å; T629-K795 WeakPolarHBondContact CG2-O 3.29Å; T629-K795 PolarHBondContact N-O 2.8Å; T629-L796 WeakPolarHBondContact O-CA 3.26Å; T629-L796 WeakPolarHBondContact O-CD1 3.49Å; T629-A797 PolarHBondContact O-N 3.26Å
630	D	87.1	Confident	82.3	Confident	84 Å²	84	75.1 Å²	75.1	45%	0.449	39%	0.393	S	S	.	.	S	Bend	trans	-72.5	1.4	170.2	-64.8	-43.2	0	0	0	113.1
631	R	90.2	Very high	83.6	Confident	197 Å²	197	73.8 Å²	73.8	74%	0.743	38%	0.379	S	S	*	.	S	Bend	trans	-139.2	139.4	-173.2	-63.6	-173	-179.5	-164.7	-1.7	113.4	T629 L796	T629-R631 VanDerWaalsContact CG2-O 3.27Å; T629-R631 WeakPolarHBondContact CG2-O 3.31Å; T629-R631 PolarHBondContact O-N 3.13Å; T629-R631 PolarHBondContact OG1-N 2.68Å; T629-R631 PolarHBondContact OG1-O 3.18Å; R631-L796 VanDerWaalsContact C-CD1 3.48Å
632	L	92.8	Very high	85.2	Confident	26 Å²	26	68.2 Å²	68.2	14%	0.136	34%	0.343	C	S	.	.			trans	-66.5	154	168	-68.3	168.9	0	0	0	111.7	L611 A613 L634 F641 V787 V789 L796 I801	L611-L632 HydrophobicContact CB-CD1 3.75Å; L611-L632 HydrophobicContact CD1-CD1 4.11Å; L611-L632 HydrophobicContact CG-CD1 4.47Å; A613-L632 HydrophobicContact CB-CD1 3.86Å; A613-L632 HydrophobicContact CB-CG 4.02Å; L632-L634 VanDerWaalsContact C-N 3.32Å; L632-L634 PolarHBondContact O-N 2.93Å; L632-F641 HydrophobicContact CD2-CE2 4.13Å; L632-V787 HydrophobicContact CD2-CG2 3.63Å; L632-V789 HydrophobicContact CD2-CG2 4.3Å; L632-L796 HydrophobicContact CD2-CD1 4.11Å; L632-L796 HydrophobicContact CD2-CD2 4.09Å; L632-L796 HydrophobicContact CG-CD1 4.17Å; L632-I801 HydrophobicContact CD1-CG2 4.42Å
633	P	89.3	Confident	86.7	Confident	59 Å²	59	59 Å²	59	38%	0.383	30%	0.3	S	S	.	.	S	Bend	trans	-73	-23.5	178.7	29	-34.4	0	0	0	113.3	V789 E792	P633-V789 HydrophobicContact CG-CB 4.41Å; P633-V789 HydrophobicContact CG-CG2 4Å; P633-E792 HydrophobicContact CB-CB 4.43Å; P633-E792 HydrophobicContact CG-CB 4.36Å; P633-E792 WeakPolarHBondContact CG-O 3.45Å
634	L	92.8	Very high	88.2	Confident	64 Å²	64	55.8 Å²	55.8	34%	0.335	28%	0.284	S	S	.	.			trans	-137.3	145	-179.1	-64.8	175.2	0	0	0	110.5	L632 V789 E792	L632-L634 VanDerWaalsContact C-N 3.32Å; L632-L634 PolarHBondContact O-N 2.93Å; L634-V789 HydrophobicContact CB-CB 4.21Å; L634-V789 HydrophobicContact CB-CG1 3.89Å; L634-V789 HydrophobicContact CD1-CB 4.24Å; L634-V789 HydrophobicContact CD1-CG1 4.11Å; L634-E792 HydrophobicContact CD1-CG 4.41Å
635	D	93.8	Very high	89.3	Confident	94 Å²	94	46.9 Å²	46.9	50%	0.503	25%	0.25	S	S	.	.	S	Bend	trans	-89	-7.9	175.3	67.2	-46.1	0	0	0	113.4	L611 R806	L611-D635 PolarHBondContact N-O 2.82Å; D635-R806 IonicContact OD2-NH1 2.88Å
636	V	95.5	Very high	90.2	Very high	4 Å²	4	44 Å²	44	2%	0.024	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	138.2	-177.1	-170.3	0	0	0	0	110.4	R608 W609	R608-V636 HydrophobicContact CB-CG1 4.22Å; W609-V636 VanDerWaalsContact O-CA 3.26Å; W609-V636 WeakPolarHBondContact O-CA 3.22Å; W609-V636 WeakPolarHBondContact O-CG1 3.5Å
637	F	96.6	Very high	91.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	157.7	166.8	76.8	-94.9	0	0	0	113.4	W609 L611 F641 N719 L749 V789 I803	W609-F637 HydrophobicContact CB-CD1 3.76Å; W609-F637 HydrophobicContact CB-CD2 4.38Å; W609-F637 HydrophobicContact CB-CE1 3.45Å; W609-F637 VanDerWaalsContact CB-CE1 3.45Å; W609-F637 HydrophobicContact CB-CE2 4.1Å; W609-F637 HydrophobicContact CB-CG 4.24Å; W609-F637 HydrophobicContact CB-CZ 3.63Å; W609-F637 AromaticContact CD1-CE2 3.99Å; W609-F637 HydrophobicContact CG-CE1 4.22Å; W609-F637 HydrophobicContact CG-CE2 4.16Å; W609-F637 AromaticContact CG-CZ 3.89Å; W609-F637 HydrophobicContact CG-CZ 3.89Å; W609-F637 PolarHBondContact N-O 3.37Å; W609-F637 VanDerWaalsContact N-O 3.17Å; W609-F637 PolarHBondContact O-N 2.99Å; L611-F637 HydrophobicContact CD1-CD1 3.93Å; L611-F637 HydrophobicContact CD2-CD1 3.83Å; L611-F637 HydrophobicContact CD2-CE1 3.83Å; L611-F637 HydrophobicContact CG-CD1 3.82Å; L611-F637 HydrophobicContact CG-CE1 4.33Å; F637-F641 HydrophobicContact CD1-CB 4Å; F637-F641 HydrophobicContact CE1-CB 3.89Å; F637-F641 HydrophobicContact CG-CB 4.42Å; F637-F641 HydrophobicContact CZ-CB 4.25Å; F637-N719 HydrophobicContact CD2-CB 4.47Å; F637-N719 HydrophobicContact CE2-CB 3.99Å; F637-L749 HydrophobicContact CE2-CD2 3.83Å; F637-L749 HydrophobicContact CZ-CD1 4.01Å; F637-L749 HydrophobicContact CZ-CD2 3.64Å; F637-V789 HydrophobicContact CB-CG1 3.64Å; F637-I803 HydrophobicContact CE1-CG2 3.66Å; F637-I803 HydrophobicContact CZ-CG2 4.19Å
638	N	96.4	Very high	92.2	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.032	18%	0.176	C	C	.	.	S	Bend	trans	-126	-23.4	-173.9	-45.1	-95.7	0	0	0	111.4	R608 N719 D790	R608-N638 PolarHBondContact NE-OD1 2.88Å; R608-N638 PolarHBondContact NH2-OD1 2.9Å; N638-N719 PolarHBondContact O-ND2 3.12Å; N638-D790 WeakPolarHBondContact CB-OD2 3.41Å; N638-D790 PolarHBondContact N-OD1 2.74Å; N638-D790 PolarHBondContact N-OD2 2.8Å; N638-D790 PolarHBondContact ND2-OD2 2.84Å
639	N	95.8	Very high	92.3	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	17%	0.165	C	C	.	.	S	Bend	trans	-115.9	-61.2	-178.7	-61	9.6	0	0	0	110.6	D544 L576 N719 I720 D790	D544-N639 PolarHBondContact OD1-ND2 3.02Å; D544-N639 VanDerWaalsContact OD1-ND2 3.16Å; L576-N639 WeakPolarHBondContact CB-OD1 3.36Å; N639-N719 PolarHBondContact O-N 3.13Å; N639-I720 HydrophobicContact CB-CD1 3.65Å; N639-I720 HydrophobicContact CB-CG1 4.07Å; N639-D790 WeakPolarHBondContact CA-OD1 3.45Å; N639-D790 WeakPolarHBondContact CB-OD1 3.39Å; N639-D790 PolarHBondContact N-OD1 3.18Å
640	Y	95.6	Very high	92.3	Very high	23 Å²	23	31.1 Å²	31.1	9%	0.09	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	160.8	-176.2	43.6	-105.7	0	0	0	113.6	F717 L718 Y723 D790	Y640-F717 CarbonylContact C-O 3.56Å; Y640-F717 WeakPolarHBondContact CA-O 3.25Å; Y640-F717 VanDerWaalsContact CB-O 3.32Å; Y640-F717 WeakPolarHBondContact CB-O 3.32Å; Y640-L718 HydrophobicContact CD1-CD2 4.08Å; Y640-L718 HydrophobicContact CG-CD2 4.46Å; Y640-Y723 AromaticContact CD1-CD2 3.8Å; Y640-Y723 HydrophobicContact CD1-CD2 3.8Å; Y640-Y723 HydrophobicContact CD1-CE2 4.5Å; Y640-Y723 HydrophobicContact CD2-CE2 4.45Å; Y640-Y723 AromaticContact CE1-CD2 3.77Å; Y640-Y723 HydrophobicContact CE1-CD2 3.77Å; Y640-Y723 HydrophobicContact CE2-CE2 4.48Å; Y640-Y723 HydrophobicContact CG-CD2 4.18Å; Y640-Y723 HydrophobicContact CG-CE2 4.46Å; Y640-D790 PolarHBondContact N-OD1 3.22Å; Y640-D790 VanDerWaalsContact N-OD1 3.11Å; Y640-D790 PolarHBondContact O-N 3.08Å
641	F	96.9	Very high	92.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.7	167	169.7	-113.2	0	0	0	108.7	L611 L632 F637 L643 F717 L779 V787 Q788 V789 I801 I803	L611-F641 HydrophobicContact CD1-CD2 4.1Å; L611-F641 HydrophobicContact CD1-CG 4.43Å; L611-F641 HydrophobicContact CD2-CG 4.37Å; L632-F641 HydrophobicContact CD2-CE2 4.13Å; F637-F641 HydrophobicContact CD1-CB 4Å; F637-F641 HydrophobicContact CE1-CB 3.89Å; F637-F641 HydrophobicContact CG-CB 4.42Å; F637-F641 HydrophobicContact CZ-CB 4.25Å; F641-L643 HydrophobicContact CE1-CD2 4.47Å; F641-F717 HydrophobicContact CB-CB 4.5Å; F641-F717 AromaticContact CD1-CD2 3.62Å; F641-F717 HydrophobicContact CD1-CD2 3.62Å; F641-F717 HydrophobicContact CD1-CE2 4.18Å; F641-F717 HydrophobicContact CD1-CG 4.39Å; F641-F717 HydrophobicContact CE1-CD2 4.2Å; F641-F717 HydrophobicContact CE1-CE2 4.3Å; F641-F717 PolarHBondContact N-O 3.44Å; F641-F717 PolarHBondContact O-N 3.02Å; F641-L779 HydrophobicContact CE1-CD2 3.83Å; F641-L779 HydrophobicContact CZ-CD2 4.31Å; F641-V787 HydrophobicContact CE2-CB 3.91Å; F641-V787 HydrophobicContact CE2-CG2 4.34Å; F641-V787 HydrophobicContact CZ-CB 4.25Å; F641-V787 HydrophobicContact CZ-CG1 4.36Å; F641-Q788 WeakPolarHBondContact CA-O 3.21Å; F641-Q788 VanDerWaalsContact CD2-O 3.28Å; F641-Q788 WeakPolarHBondContact CD2-O 3.35Å; F641-V789 HydrophobicContact CD2-CG2 4Å; F641-V789 HydrophobicContact CE2-CG2 4.37Å; F641-I801 HydrophobicContact CE1-CD1 4.47Å; F641-I801 HydrophobicContact CZ-CD1 3.83Å; F641-I803 HydrophobicContact CD1-CD1 3.73Å; F641-I803 HydrophobicContact CE1-CD1 4.19Å
642	S	95.3	Very high	92.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	159.2	177.1	88.4	0	0	0	0	113.1	D646 V715 V787 Q788	S642-D646 PolarHBondContact OG-OD2 2.89Å; S642-V715 WeakPolarHBondContact CA-O 3.41Å; S642-V787 CarbonylContact O-C 3.58Å; S642-V787 VanDerWaalsContact O-CA 3.29Å; S642-V787 WeakPolarHBondContact O-CA 3.26Å; S642-Q788 PolarHBondContact N-O 3.01Å; S642-Q788 PolarHBondContact O-N 2.81Å; S642-Q788 VanDerWaalsContact OG-CG 3.25Å; S642-Q788 WeakPolarHBondContact OG-CG 3.5Å; S642-Q788 PolarHBondContact OG-NE2 2.8Å
643	L	94.4	Very high	91.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	153.1	173.1	65.9	155.5	0	0	0	112	F641 L690 I694 C714 V715 F717 L779 I785 P786 V787	F641-L643 HydrophobicContact CE1-CD2 4.47Å; L643-L690 HydrophobicContact CD1-CD1 4.33Å; L643-I694 HydrophobicContact CD1-CD1 4.35Å; L643-I694 HydrophobicContact CD1-CG2 3.82Å; L643-C714 WeakPolarHBondContact O-CA 3.14Å; L643-C714 PolarHBondContact O-SG 3.01Å; L643-V715 HydrophobicContact CD2-CB 3.98Å; L643-V715 HydrophobicContact CD2-CG1 4.42Å; L643-V715 HydrophobicContact CG-CB 4.45Å; L643-V715 PolarHBondContact N-O 3.34Å; L643-V715 PolarHBondContact O-N 2.76Å; L643-V715 VanDerWaalsContact O-N 3.1Å; L643-F717 HydrophobicContact CD2-CD2 4.46Å; L643-F717 HydrophobicContact CD2-CE2 3.76Å; L643-L779 HydrophobicContact CD1-CD1 4.09Å; L643-L779 HydrophobicContact CD1-CD2 4.01Å; L643-L779 HydrophobicContact CD2-CD2 3.87Å; L643-I785 HydrophobicContact CB-CG2 4.22Å; L643-I785 HydrophobicContact CD1-CG2 4.44Å; L643-P786 WeakPolarHBondContact CA-O 3.37Å; L643-V787 HydrophobicContact CB-CG1 3.87Å
644	G	91.3	Very high	91.6	Very high	3 Å²	3	20.6 Å²	20.6	3%	0.031	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.3	-139.1	-176.9	0	0	0	0	0	112.9	D646 A647 H648 P786	G644-D646 PolarHBondContact O-N 3.31Å; G644-A647 PolarHBondContact O-N 3.4Å; G644-H648 PolarHBondContact O-N 3.4Å; G644-P786 PolarHBondContact N-O 2.92Å; G644-P786 VanDerWaalsContact N-O 3.11Å
645	F	88.1	Confident	91.4	Very high	8 Å²	8	22.8 Å²	22.8	4%	0.035	11%	0.111	C	C	.	.	H	α-helix	trans	-55.8	-49.6	-167.4	-174.5	-91.6	0	0	0	114.6	A647 H648 V649 D681 F682 Q713 C714 M756 L759	F645-A647 VanDerWaalsContact C-N 3.33Å; F645-A647 PolarHBondContact O-N 2.75Å; F645-H648 WeakPolarHBondContact O-CB 3.12Å; F645-H648 PolarHBondContact O-N 2.96Å; F645-H648 VanDerWaalsContact O-N 3.11Å; F645-V649 HydrophobicContact CD1-CG2 4.26Å; F645-V649 HydrophobicContact CE1-CG2 3.9Å; F645-V649 HydrophobicContact CZ-CG2 4.14Å; F645-V649 PolarHBondContact O-N 3Å; F645-D681 HydrophobicContact CE2-CB 3.84Å; F645-D681 HydrophobicContact CZ-CB 4.06Å; F645-F682 HydrophobicContact CZ-CB 4.39Å; F645-Q713 HydrophobicContact CB-CB 4.4Å; F645-Q713 WeakPolarHBondContact CB-O 3.41Å; F645-Q713 PolarHBondContact N-O 3.12Å; F645-C714 HydrophobicContact CB-CB 4.2Å; F645-M756 HydrophobicContact CB-CE 3.96Å; F645-M756 HydrophobicContact CD1-CE 3.6Å; F645-M756 HydrophobicContact CD1-SD 4.49Å; F645-M756 HydrophobicContact CD2-CE 3.78Å; F645-M756 HydrophobicContact CD2-SD 4.17Å; F645-M756 HydrophobicContact CE1-CE 3.97Å; F645-M756 HydrophobicContact CE1-SD 4.32Å; F645-M756 HydrophobicContact CE2-CE 4.13Å; F645-M756 HydrophobicContact CE2-SD 3.97Å; F645-M756 HydrophobicContact CG-CE 3.49Å; F645-M756 VanDerWaalsContact CG-CE 3.49Å; F645-M756 HydrophobicContact CG-SD 4.42Å; F645-M756 HydrophobicContact CZ-CE 4.22Å; F645-M756 HydrophobicContact CZ-SD 4.06Å; F645-L759 HydrophobicContact CD1-CD1 4.01Å; F645-L759 HydrophobicContact CE1-CD2 4.31Å
646	D	88.2	Confident	90.9	Very high	11 Å²	11	19.5 Å²	19.5	6%	0.059	10%	0.095	C	C	.	.	H	α-helix	trans	-59.3	-42.7	178.4	171.4	73.6	0	0	0	112.4	S642 G644 H648 V649 T650 Y674 C714 Y723 Q788	S642-D646 PolarHBondContact OG-OD2 2.89Å; G644-D646 PolarHBondContact O-N 3.31Å; D646-H648 VanDerWaalsContact C-N 3.33Å; D646-H648 PolarHBondContact O-N 3Å; D646-V649 PolarHBondContact O-N 3.39Å; D646-T650 WeakPolarHBondContact O-CB 3.23Å; D646-T650 PolarHBondContact O-N 3.1Å; D646-T650 PolarHBondContact O-OG1 2.83Å; D646-Y674 PolarHBondContact OD1-OH 3.06Å; D646-C714 VanDerWaalsContact CB-SG 3.6Å; D646-Y723 PolarHBondContact OD1-OH 3.18Å; D646-Y723 PolarHBondContact OD2-OH 3.25Å; D646-Q788 PolarHBondContact OD2-NE2 2.91Å
647	A	91.6	Very high	90.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-68.8	-29.8	176.5	0	0	0	0	0	113.2	G644 F645 L651 P786 V787 Q788	G644-A647 PolarHBondContact O-N 3.4Å; F645-A647 VanDerWaalsContact C-N 3.33Å; F645-A647 PolarHBondContact O-N 2.75Å; A647-L651 WeakPolarHBondContact O-CB 3.13Å; A647-L651 PolarHBondContact O-N 3.42Å; A647-P786 HydrophobicContact CB-CB 4.2Å; A647-P786 WeakPolarHBondContact CB-O 3.24Å; A647-V787 VanDerWaalsContact CB-CA 3.5Å; A647-Q788 HydrophobicContact CB-CB 4.18Å; A647-Q788 HydrophobicContact CB-CG 3.89Å
648	H	89.7	Confident	89.4	Confident	64 Å²	64	29.8 Å²	29.8	30%	0.296	14%	0.139	S	C	.	.	H	α-helix	trans	-68.1	-49.3	174	-168.3	24.1	0	0	0	111.6	G644 F645 D646 T650 L651 E652 D681 P786	G644-H648 PolarHBondContact O-N 3.4Å; F645-H648 WeakPolarHBondContact O-CB 3.12Å; F645-H648 PolarHBondContact O-N 2.96Å; F645-H648 VanDerWaalsContact O-N 3.11Å; D646-H648 VanDerWaalsContact C-N 3.33Å; D646-H648 PolarHBondContact O-N 3Å; H648-T650 VanDerWaalsContact C-N 3.3Å; H648-T650 PolarHBondContact O-N 2.84Å; H648-L651 WeakPolarHBondContact O-CB 3.13Å; H648-L651 PolarHBondContact O-N 2.81Å; H648-L651 VanDerWaalsContact O-N 3.1Å; H648-E652 PolarHBondContact O-N 2.78Å; H648-D681 IonicContact CD2-OD2 2.76Å; H648-D681 PolarHBondContact CD2-OD2 2.76Å; H648-D681 VanDerWaalsContact CD2-OD2 3.23Å; H648-D681 IonicContact NE2-OD2 2.81Å; H648-P786 HydrophobicContact CB-CB 4.16Å; H648-P786 HydrophobicContact CB-CG 4.13Å
649	V	87.5	Confident	88.8	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.012	17%	0.166	C	C	.	.	H	α-helix	trans	-59.7	-41.3	174.1	172.5	0	0	0	0	111	F645 D646 L651 F653 Y674 T677 A678	F645-V649 HydrophobicContact CD1-CG2 4.26Å; F645-V649 HydrophobicContact CE1-CG2 3.9Å; F645-V649 HydrophobicContact CZ-CG2 4.14Å; F645-V649 PolarHBondContact O-N 3Å; D646-V649 PolarHBondContact O-N 3.39Å; V649-L651 VanDerWaalsContact C-N 3.34Å; V649-L651 PolarHBondContact O-N 3.44Å; V649-F653 VanDerWaalsContact O-CB 3.27Å; V649-F653 WeakPolarHBondContact O-CB 3.49Å; V649-F653 PolarHBondContact O-N 2.95Å; V649-Y674 HydrophobicContact CG1-CD1 4.34Å; V649-Y674 HydrophobicContact CG1-CD2 4.27Å; V649-Y674 HydrophobicContact CG1-CE1 4.09Å; V649-Y674 HydrophobicContact CG1-CE2 4.02Å; V649-Y674 HydrophobicContact CG1-CG 4.43Å; V649-T677 HydrophobicContact CG1-CG2 4.09Å; V649-A678 HydrophobicContact CG1-CB 4.05Å; V649-A678 HydrophobicContact CG2-CB 4.28Å
650	T	88.8	Confident	88	Confident	8 Å²	8	35.3 Å²	35.3	5%	0.049	18%	0.179	C	C	.	.	H	α-helix	trans	-62.4	-40.1	174.9	-57.5	0	0	0	0	111.7	D646 H648 H654 Y674 Q788 P793	D646-T650 WeakPolarHBondContact O-CB 3.23Å; D646-T650 PolarHBondContact O-N 3.1Å; D646-T650 PolarHBondContact O-OG1 2.83Å; H648-T650 VanDerWaalsContact C-N 3.3Å; H648-T650 PolarHBondContact O-N 2.84Å; T650-H654 WeakPolarHBondContact O-CB 3.49Å; T650-H654 PolarHBondContact O-N 2.85Å; T650-Y674 PolarHBondContact OG1-OH 2.97Å; T650-Y674 VanDerWaalsContact OG1-OH 3.08Å; T650-Q788 HydrophobicContact CG2-CB 4.15Å; T650-Q788 HydrophobicContact CG2-CG 4.36Å; T650-P793 HydrophobicContact CG2-CB 3.89Å; T650-P793 HydrophobicContact CG2-CG 3.96Å
651	L	89.3	Confident	87.1	Confident	20 Å²	20	37.9 Å²	37.9	11%	0.105	20%	0.199	C	C	.	.	H	α-helix	trans	-65.6	-50.3	177.8	-175.9	61.5	0	0	0	112.2	A647 H648 V649 F653 H654 E655 P793 K795	A647-L651 WeakPolarHBondContact O-CB 3.13Å; A647-L651 PolarHBondContact O-N 3.42Å; H648-L651 WeakPolarHBondContact O-CB 3.13Å; H648-L651 PolarHBondContact O-N 2.81Å; H648-L651 VanDerWaalsContact O-N 3.1Å; V649-L651 VanDerWaalsContact C-N 3.34Å; V649-L651 PolarHBondContact O-N 3.44Å; L651-F653 VanDerWaalsContact C-N 3.32Å; L651-F653 PolarHBondContact O-N 2.76Å; L651-H654 WeakPolarHBondContact O-CA 3.18Å; L651-H654 WeakPolarHBondContact O-CB 3.37Å; L651-H654 PolarHBondContact O-N 3.48Å; L651-E655 HydrophobicContact CD1-CG 4.39Å; L651-E655 WeakPolarHBondContact O-CG 3.31Å; L651-E655 PolarHBondContact O-N 3.26Å; L651-P793 HydrophobicContact CB-CB 4.02Å; L651-P793 HydrophobicContact CB-CG 4.34Å; L651-P793 HydrophobicContact CD1-CB 4.1Å; L651-P793 HydrophobicContact CD1-CG 4.05Å; L651-K795 HydrophobicContact CD2-CB 4.1Å
652	E	86.3	Confident	86	Confident	67 Å²	67	43.3 Å²	43.3	31%	0.313	22%	0.224	S	C	.	.	H	α-helix	trans	-64.3	-38.3	178.6	-166.5	-158.8	134.8	0	0	111.7	H648 H654 E655 S656 T677	H648-E652 PolarHBondContact O-N 2.78Å; E652-H654 VanDerWaalsContact C-N 3.28Å; E652-H654 PolarHBondContact O-N 3.15Å; E652-E655 PolarHBondContact O-N 2.72Å; E652-S656 WeakPolarHBondContact O-CB 3.19Å; E652-S656 PolarHBondContact O-N 2.85Å; E652-S656 PolarHBondContact O-OG 3.21Å; E652-T677 HydrophobicContact CB-CG2 4.13Å; E652-T677 HydrophobicContact CG-CG2 4.38Å; E652-T677 VanDerWaalsContact OE2-CG2 3.31Å; E652-T677 WeakPolarHBondContact OE2-CG2 3.38Å
653	F	84.6	Confident	84.8	Confident	26 Å²	26	49 Å²	49	11%	0.114	25%	0.248	C	C	.	.	H	α-helix	trans	-58.8	-39.5	170.8	173.8	-93.4	0	0	0	111.8	V649 L651 R657 F664 N670 F673 Y674	V649-F653 VanDerWaalsContact O-CB 3.27Å; V649-F653 WeakPolarHBondContact O-CB 3.49Å; V649-F653 PolarHBondContact O-N 2.95Å; L651-F653 VanDerWaalsContact C-N 3.32Å; L651-F653 PolarHBondContact O-N 2.76Å; F653-R657 WeakPolarHBondContact O-CB 3.29Å; F653-R657 PolarHBondContact O-N 3.16Å; F653-F664 HydrophobicContact CD2-CE1 4.07Å; F653-F664 AromaticContact CE2-CD1 3.88Å; F653-F664 HydrophobicContact CE2-CD1 3.88Å; F653-F664 AromaticContact CE2-CE1 3.68Å; F653-F664 HydrophobicContact CE2-CE1 3.68Å; F653-F664 HydrophobicContact CZ-CD1 4.17Å; F653-F664 HydrophobicContact CZ-CE1 4.35Å; F653-N670 HydrophobicContact CE2-CB 4.27Å; F653-N670 WeakPolarHBondContact CE2-O 3.48Å; F653-N670 HydrophobicContact CZ-CB 4.14Å; F653-F673 HydrophobicContact CD2-CB 4.47Å; F653-F673 AromaticContact CD2-CD1 3.83Å; F653-F673 HydrophobicContact CD2-CD1 3.83Å; F653-F673 HydrophobicContact CD2-CG 4.48Å; F653-F673 HydrophobicContact CE2-CB 4.44Å; F653-Y674 HydrophobicContact CB-CD2 4.12Å; F653-Y674 HydrophobicContact CD1-CD2 4.42Å; F653-Y674 HydrophobicContact CD2-CD2 4.17Å; F653-Y674 AromaticContact CG-CD2 3.97Å; F653-Y674 HydrophobicContact CG-CD2 3.97Å
654	H	85.8	Confident	83.6	Confident	31 Å²	31	49.9 Å²	49.9	14%	0.144	25%	0.253	C	S	.	.	H	α-helix	trans	-67.9	-50.7	178.1	-169.6	-76.6	0	0	0	112.2	T650 L651 E652 S656 R657 E658 E792 P793	T650-H654 WeakPolarHBondContact O-CB 3.49Å; T650-H654 PolarHBondContact O-N 2.85Å; L651-H654 WeakPolarHBondContact O-CA 3.18Å; L651-H654 WeakPolarHBondContact O-CB 3.37Å; L651-H654 PolarHBondContact O-N 3.48Å; E652-H654 VanDerWaalsContact C-N 3.28Å; E652-H654 PolarHBondContact O-N 3.15Å; H654-S656 VanDerWaalsContact C-N 3.33Å; H654-S656 PolarHBondContact O-N 2.82Å; H654-R657 PolarHBondContact CD2-NH2 3.15Å; H654-R657 PolarHBondContact NE2-NH2 2.9Å; H654-R657 WeakPolarHBondContact O-CB 3.48Å; H654-R657 PolarHBondContact O-N 3.37Å; H654-R657 VanDerWaalsContact O-N 3.11Å; H654-E658 IonicContact CE1-OE1 3.19Å; H654-E658 IonicContact CE1-OE2 2.84Å; H654-E658 PolarHBondContact CE1-OE2 2.84Å; H654-E658 IonicContact ND1-OE2 2.72Å; H654-E658 PolarHBondContact ND1-OE2 2.93Å; H654-E658 PolarHBondContact O-N 3.36Å; H654-E792 IonicContact CD2-OE2 3.92Å; H654-E792 IonicContact NE2-OE2 2.71Å; H654-P793 HydrophobicContact CB-CG 3.55Å
655	E	87.1	Confident	82.4	Confident	110 Å²	110	54.2 Å²	54.2	51%	0.514	28%	0.275	S	S	.	.	H	α-helix	trans	-61	-43.3	179	-68.3	175.7	-178.2	0	0	110.9	L651 E652 R657 E658 A659	L651-E655 HydrophobicContact CD1-CG 4.39Å; L651-E655 WeakPolarHBondContact O-CG 3.31Å; L651-E655 PolarHBondContact O-N 3.26Å; E652-E655 PolarHBondContact O-N 2.72Å; E655-R657 VanDerWaalsContact C-N 3.33Å; E655-R657 PolarHBondContact O-N 2.99Å; E655-E658 PolarHBondContact O-N 2.93Å; E655-A659 WeakPolarHBondContact O-CB 2.96Å; E655-A659 PolarHBondContact O-N 3.01Å
656	S	83.7	Confident	81.6	Confident	25 Å²	25	56.1 Å²	56.1	18%	0.175	29%	0.29	C	S	.	.	H	α-helix	trans	-60.3	-39.9	173.5	-67.5	0	0	0	0	112.9	E652 H654 A659 N660 F664 F673	E652-S656 WeakPolarHBondContact O-CB 3.19Å; E652-S656 PolarHBondContact O-N 2.85Å; E652-S656 PolarHBondContact O-OG 3.21Å; H654-S656 VanDerWaalsContact C-N 3.33Å; H654-S656 PolarHBondContact O-N 2.82Å; S656-A659 PolarHBondContact O-N 3.49Å; S656-N660 PolarHBondContact O-N 3.03Å; S656-N660 VanDerWaalsContact O-N 3.1Å; S656-F664 VanDerWaalsContact O-CE2 3.31Å; S656-F664 WeakPolarHBondContact O-CE2 3.38Å; S656-F673 VanDerWaalsContact CB-CZ 3.5Å; S656-F673 WeakPolarHBondContact OG-CZ 3.38Å
657	R	80.4	Confident	80.8	Confident	85 Å²	85	58.1 Å²	58.1	32%	0.321	30%	0.296	S	S	.	.	H	α-helix	trans	-67.4	-36.7	177.8	178.2	-174.2	80.4	173.4	9	112.6	F653 H654 E655 P661 F664 E792	F653-R657 WeakPolarHBondContact O-CB 3.29Å; F653-R657 PolarHBondContact O-N 3.16Å; H654-R657 PolarHBondContact CD2-NH2 3.15Å; H654-R657 PolarHBondContact NE2-NH2 2.9Å; H654-R657 WeakPolarHBondContact O-CB 3.48Å; H654-R657 PolarHBondContact O-N 3.37Å; H654-R657 VanDerWaalsContact O-N 3.11Å; E655-R657 VanDerWaalsContact C-N 3.33Å; E655-R657 PolarHBondContact O-N 2.99Å; R657-P661 WeakPolarHBondContact O-CA 3.25Å; R657-F664 HydrophobicContact CB-CD1 4.31Å; R657-F664 HydrophobicContact CB-CD2 4.21Å; R657-F664 HydrophobicContact CB-CE1 4.44Å; R657-F664 HydrophobicContact CB-CE2 4.37Å; R657-F664 HydrophobicContact CB-CG 4.18Å; R657-F664 HydrophobicContact CB-CZ 4.47Å; R657-F664 HydrophobicContact CG-CB 4.26Å; R657-F664 HydrophobicContact CG-CD1 4.5Å; R657-F664 HydrophobicContact CG-CD2 4.46Å; R657-F664 HydrophobicContact CG-CG 4.16Å; R657-E792 IonicContact NH2-OE2 2.69Å
658	E	81.5	Confident	79.7	Confident	135 Å²	135	64.4 Å²	64.4	63%	0.631	32%	0.324	S	S	*	.	H	α-helix	trans	-75.7	-36.6	175.4	-69.3	-167.2	122.3	0	0	112.4	H654 E655	H654-E658 IonicContact CE1-OE1 3.19Å; H654-E658 IonicContact CE1-OE2 2.84Å; H654-E658 PolarHBondContact CE1-OE2 2.84Å; H654-E658 IonicContact ND1-OE2 2.72Å; H654-E658 PolarHBondContact ND1-OE2 2.93Å; H654-E658 PolarHBondContact O-N 3.36Å; E655-E658 PolarHBondContact O-N 2.93Å
659	A	83.5	Confident	78.7	Confident	72 Å²	72	69.2 Å²	69.2	60%	0.595	34%	0.339	S	S	*	.	H	α-helix	trans	-71.1	-28.1	178.2	0	0	0	0	0	114.1	E655 S656	E655-A659 WeakPolarHBondContact O-CB 2.96Å; E655-A659 PolarHBondContact O-N 3.01Å; S656-A659 PolarHBondContact O-N 3.49Å
660	N	79.1	Confident	78.1	Confident	51 Å²	51	70 Å²	70	27%	0.273	34%	0.344	S	S	.	.			trans	-139.4	56.2	-173.4	-57.3	-106.5	0	0	0	113.5	S656 E662 K663 F664	S656-N660 PolarHBondContact O-N 3.03Å; S656-N660 VanDerWaalsContact O-N 3.1Å; N660-E662 PolarHBondContact O-N 3.49Å; N660-K663 HydrophobicContact CB-CB 4.41Å; N660-K663 HydrophobicContact CB-CD 3.67Å; N660-K663 HydrophobicContact CB-CG 4.04Å; N660-K663 WeakPolarHBondContact O-CB 3.49Å; N660-K663 PolarHBondContact O-N 3.29Å; N660-K663 WeakPolarHBondContact OD1-CE 3.32Å; N660-K663 PolarHBondContact OD1-NZ 3.18Å; N660-F664 HydrophobicContact CB-CE2 4.45Å; N660-F664 WeakPolarHBondContact O-CD2 3.47Å
661	P	76.1	Confident	77.4	Confident	78 Å²	78	74.8 Å²	74.8	51%	0.506	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-29.1	-166.7	23.6	-34.9	0	0	0	114.4	R657 K663 F664	R657-P661 WeakPolarHBondContact O-CA 3.25Å; P661-K663 VanDerWaalsContact C-N 3.27Å; P661-K663 PolarHBondContact O-N 2.97Å; P661-F664 PolarHBondContact O-N 3.48Å
662	E	74.8	Confident	76.4	Confident	114 Å²	114	79.6 Å²	79.6	53%	0.533	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-20.8	177.4	69.4	-63	141.8	0	0	114.6	N660 N665	N660-E662 PolarHBondContact O-N 3.49Å; E662-N665 WeakPolarHBondContact CA-ND2 3.38Å; E662-N665 PolarHBondContact O-ND2 3.22Å
663	K	69.9	Low	75.6	Confident	118 Å²	118	79.9 Å²	79.9	51%	0.513	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-33.4	175.8	-60.9	-178.7	-173.5	164.3	0	111.9	N660 P661 N665	N660-K663 HydrophobicContact CB-CB 4.41Å; N660-K663 HydrophobicContact CB-CD 3.67Å; N660-K663 HydrophobicContact CB-CG 4.04Å; N660-K663 WeakPolarHBondContact O-CB 3.49Å; N660-K663 PolarHBondContact O-N 3.29Å; N660-K663 WeakPolarHBondContact OD1-CE 3.32Å; N660-K663 PolarHBondContact OD1-NZ 3.18Å; P661-K663 VanDerWaalsContact C-N 3.27Å; P661-K663 PolarHBondContact O-N 2.97Å; K663-N665 VanDerWaalsContact C-N 3.28Å; K663-N665 PolarHBondContact O-N 3.2Å
664	F	68.2	Low	75	Confident	20 Å²	20	81.3 Å²	81.3	9%	0.088	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	24.2	-172.8	-64.8	-93	0	0	0	114.6	F653 S656 R657 N660 P661 S666 N670 F673	F653-F664 HydrophobicContact CD2-CE1 4.07Å; F653-F664 AromaticContact CE2-CD1 3.88Å; F653-F664 HydrophobicContact CE2-CD1 3.88Å; F653-F664 AromaticContact CE2-CE1 3.68Å; F653-F664 HydrophobicContact CE2-CE1 3.68Å; F653-F664 HydrophobicContact CZ-CD1 4.17Å; F653-F664 HydrophobicContact CZ-CE1 4.35Å; S656-F664 VanDerWaalsContact O-CE2 3.31Å; S656-F664 WeakPolarHBondContact O-CE2 3.38Å; R657-F664 HydrophobicContact CB-CD1 4.31Å; R657-F664 HydrophobicContact CB-CD2 4.21Å; R657-F664 HydrophobicContact CB-CE1 4.44Å; R657-F664 HydrophobicContact CB-CE2 4.37Å; R657-F664 HydrophobicContact CB-CG 4.18Å; R657-F664 HydrophobicContact CB-CZ 4.47Å; R657-F664 HydrophobicContact CG-CB 4.26Å; R657-F664 HydrophobicContact CG-CD1 4.5Å; R657-F664 HydrophobicContact CG-CD2 4.46Å; R657-F664 HydrophobicContact CG-CG 4.16Å; N660-F664 HydrophobicContact CB-CE2 4.45Å; N660-F664 WeakPolarHBondContact O-CD2 3.47Å; P661-F664 PolarHBondContact O-N 3.48Å; F664-S666 VanDerWaalsContact C-N 3.26Å; F664-S666 PolarHBondContact O-N 2.86Å; F664-N670 WeakPolarHBondContact CA-OD1 3.32Å; F664-N670 WeakPolarHBondContact CB-OD1 3.18Å; F664-N670 PolarHBondContact O-ND2 3.3Å; F664-N670 PolarHBondContact O-OD1 3.33Å; F664-N670 VanDerWaalsContact O-OD1 3.08Å; F664-F673 HydrophobicContact CE1-CB 4.02Å; F664-F673 HydrophobicContact CE1-CD1 4.02Å; F664-F673 AromaticContact CE1-CD2 3.84Å; F664-F673 HydrophobicContact CE1-CD2 3.84Å; F664-F673 HydrophobicContact CE1-CE1 4.47Å; F664-F673 HydrophobicContact CE1-CE2 4.32Å; F664-F673 AromaticContact CE1-CG 3.68Å; F664-F673 HydrophobicContact CE1-CG 3.68Å; F664-F673 HydrophobicContact CZ-CD1 4.19Å; F664-F673 AromaticContact CZ-CD2 3.65Å; F664-F673 HydrophobicContact CZ-CD2 3.65Å; F664-F673 HydrophobicContact CZ-CE1 4.22Å; F664-F673 AromaticContact CZ-CE2 3.69Å; F664-F673 HydrophobicContact CZ-CE2 3.69Å; F664-F673 AromaticContact CZ-CG 3.91Å; F664-F673 HydrophobicContact CZ-CG 3.91Å; F664-F673 AromaticContact CZ-CZ 3.99Å; F664-F673 HydrophobicContact CZ-CZ 3.99Å
665	N	65.8	Low	74.2	Confident	93 Å²	93	82.7 Å²	82.7	50%	0.497	41%	0.409	S	S	.	.			trans	-75.8	-0.4	-177.1	-86	-48.3	0	0	0	115.2	G496 E662 K663	G496-N665 WeakPolarHBondContact CA-O 3.31Å; E662-N665 WeakPolarHBondContact CA-ND2 3.38Å; E662-N665 PolarHBondContact O-ND2 3.22Å; K663-N665 VanDerWaalsContact C-N 3.28Å; K663-N665 PolarHBondContact O-N 3.2Å
666	S	71.6	Confident	73.4	Confident	49 Å²	49	79.3 Å²	79.3	34%	0.343	40%	0.403	S	S	.	.	S	Bend	trans	-136.5	130.5	-174.4	175.5	0	0	0	0	112.2	F664 F668 R669 N670	F664-S666 VanDerWaalsContact C-N 3.26Å; F664-S666 PolarHBondContact O-N 2.86Å; S666-F668 PolarHBondContact O-N 2.98Å; S666-R669 PolarHBondContact O-N 3.39Å; S666-R669 VanDerWaalsContact O-N 3.17Å; S666-N670 PolarHBondContact O-N 3.45Å; S666-N670 PolarHBondContact O-OD1 3.33Å
667	R	71.6	Confident	72.7	Confident	52 Å²	52	78.4 Å²	78.4	20%	0.196	40%	0.397	C	S	.	.	H	α-helix	trans	-51.2	-41.9	176.8	-68.9	-175.4	-174.7	130	13.7	112.5	L570 G571 T572 Y586 N670 K671	L570-R667 VanDerWaalsContact CA-NH2 3.32Å; L570-R667 PolarHBondContact O-NE 3.31Å; L570-R667 PolarHBondContact O-NH2 2.93Å; G571-R667 WeakPolarHBondContact O-CD 3.21Å; G571-R667 PolarHBondContact O-NE 3.12Å; T572-R667 HydrophobicContact CG2-CB 4.5Å; Y586-R667 PolarHBondContact O-NH1 3.49Å; Y586-R667 VanDerWaalsContact O-NH1 3.12Å; R667-N670 PolarHBondContact O-N 2.69Å; R667-K671 PolarHBondContact O-N 3.26Å
668	F	67.4	Low	72	Confident	132 Å²	132	75.5 Å²	75.5	58%	0.579	39%	0.391	S	S	*	.	H	α-helix	trans	-65.1	-48.2	-178.8	-178.3	-97.1	0	0	0	111.8	S666 N670 K671 M672	S666-F668 PolarHBondContact O-N 2.98Å; F668-N670 VanDerWaalsContact C-N 3.28Å; F668-N670 PolarHBondContact O-N 3.27Å; F668-K671 PolarHBondContact O-N 3.34Å; F668-M672 HydrophobicContact CD1-SD 4.19Å; F668-M672 HydrophobicContact CE1-CE 3.94Å; F668-M672 HydrophobicContact CE1-CG 4.25Å; F668-M672 HydrophobicContact CE1-SD 3.39Å; F668-M672 WeakPolarHBondContact CE1-SD 3Å; F668-M672 HydrophobicContact CZ-CE 3.6Å; F668-M672 HydrophobicContact CZ-CG 4.36Å; F668-M672 HydrophobicContact CZ-SD 3.68Å; F668-M672 PolarHBondContact O-N 3.11Å
669	R	69.5	Low	71.2	Confident	166 Å²	166	75.2 Å²	75.2	63%	0.626	39%	0.388	S	S	*	.	H	α-helix	trans	-62	-37.8	175.2	-69.6	-174.2	175.7	-177	-4.1	111.9	S666 M672 F673	S666-R669 PolarHBondContact O-N 3.39Å; S666-R669 VanDerWaalsContact O-N 3.17Å; R669-M672 PolarHBondContact O-N 3.27Å; R669-F673 WeakPolarHBondContact O-CB 3.34Å; R669-F673 PolarHBondContact O-N 2.89Å
670	N	74.8	Confident	70.3	Confident	19 Å²	19	74 Å²	74	10%	0.102	38%	0.375	C	S	.	.	H	α-helix	trans	-68.3	-37.7	179.3	-61.8	12.8	0	0	0	111.3	T572 F653 F664 S666 R667 F668 Y674	T572-N670 HydrophobicContact CG2-CB 4.16Å; F653-N670 HydrophobicContact CE2-CB 4.27Å; F653-N670 WeakPolarHBondContact CE2-O 3.48Å; F653-N670 HydrophobicContact CZ-CB 4.14Å; F664-N670 WeakPolarHBondContact CA-OD1 3.32Å; F664-N670 WeakPolarHBondContact CB-OD1 3.18Å; F664-N670 PolarHBondContact O-ND2 3.3Å; F664-N670 PolarHBondContact O-OD1 3.33Å; F664-N670 VanDerWaalsContact O-OD1 3.08Å; S666-N670 PolarHBondContact O-N 3.45Å; S666-N670 PolarHBondContact O-OD1 3.33Å; R667-N670 PolarHBondContact O-N 2.69Å; F668-N670 VanDerWaalsContact C-N 3.28Å; F668-N670 PolarHBondContact O-N 3.27Å; N670-Y674 PolarHBondContact O-N 3.23Å; N670-Y674 VanDerWaalsContact O-N 3.17Å
671	K	74.1	Confident	69.7	Low	108 Å²	108	72.2 Å²	72.2	47%	0.47	37%	0.366	S	S	.	.	H	α-helix	trans	-64	-48.8	170	-77.7	-165.6	171	-161.6	0	112.1	T572 R667 F668 F673 Y674 A675	T572-K671 HydrophobicContact CG2-CG 3.81Å; R667-K671 PolarHBondContact O-N 3.26Å; F668-K671 PolarHBondContact O-N 3.34Å; K671-F673 VanDerWaalsContact C-N 3.33Å; K671-F673 PolarHBondContact O-N 3.27Å; K671-Y674 PolarHBondContact O-N 3.19Å; K671-A675 WeakPolarHBondContact O-CB 3.33Å; K671-A675 PolarHBondContact O-N 2.85Å
672	M	68.1	Low	69	Low	120 Å²	120	73 Å²	73	59%	0.591	36%	0.361	S	S	*	.	H	α-helix	trans	-62.8	-36.6	179.4	-85.8	-170.1	153.6	0	0	113	F668 R669 G676	F668-M672 HydrophobicContact CD1-SD 4.19Å; F668-M672 HydrophobicContact CE1-CE 3.94Å; F668-M672 HydrophobicContact CE1-CG 4.25Å; F668-M672 HydrophobicContact CE1-SD 3.39Å; F668-M672 WeakPolarHBondContact CE1-SD 3Å; F668-M672 HydrophobicContact CZ-CE 3.6Å; F668-M672 HydrophobicContact CZ-CG 4.36Å; F668-M672 HydrophobicContact CZ-SD 3.68Å; F668-M672 PolarHBondContact O-N 3.11Å; R669-M672 PolarHBondContact O-N 3.27Å; M672-G676 PolarHBondContact O-N 3.35Å
673	F	70.4	Confident	68.2	Low	73 Å²	73	73.3 Å²	73.3	32%	0.32	37%	0.366	S	S	.	.	H	α-helix	trans	-64.5	-48.6	173.8	-164.9	-71.3	0	0	0	110.8	F653 S656 F664 R669 K671 A675 G676 T677	F653-F673 HydrophobicContact CD2-CB 4.47Å; F653-F673 AromaticContact CD2-CD1 3.83Å; F653-F673 HydrophobicContact CD2-CD1 3.83Å; F653-F673 HydrophobicContact CD2-CG 4.48Å; F653-F673 HydrophobicContact CE2-CB 4.44Å; S656-F673 VanDerWaalsContact CB-CZ 3.5Å; S656-F673 WeakPolarHBondContact OG-CZ 3.38Å; F664-F673 HydrophobicContact CE1-CB 4.02Å; F664-F673 HydrophobicContact CE1-CD1 4.02Å; F664-F673 AromaticContact CE1-CD2 3.84Å; F664-F673 HydrophobicContact CE1-CD2 3.84Å; F664-F673 HydrophobicContact CE1-CE1 4.47Å; F664-F673 HydrophobicContact CE1-CE2 4.32Å; F664-F673 AromaticContact CE1-CG 3.68Å; F664-F673 HydrophobicContact CE1-CG 3.68Å; F664-F673 HydrophobicContact CZ-CD1 4.19Å; F664-F673 AromaticContact CZ-CD2 3.65Å; F664-F673 HydrophobicContact CZ-CD2 3.65Å; F664-F673 HydrophobicContact CZ-CE1 4.22Å; F664-F673 AromaticContact CZ-CE2 3.69Å; F664-F673 HydrophobicContact CZ-CE2 3.69Å; F664-F673 AromaticContact CZ-CG 3.91Å; F664-F673 HydrophobicContact CZ-CG 3.91Å; F664-F673 AromaticContact CZ-CZ 3.99Å; F664-F673 HydrophobicContact CZ-CZ 3.99Å; R669-F673 WeakPolarHBondContact O-CB 3.34Å; R669-F673 PolarHBondContact O-N 2.89Å; K671-F673 VanDerWaalsContact C-N 3.33Å; K671-F673 PolarHBondContact O-N 3.27Å; F673-A675 VanDerWaalsContact C-N 3.32Å; F673-A675 PolarHBondContact O-N 3.29Å; F673-G676 PolarHBondContact O-N 2.98Å; F673-G676 VanDerWaalsContact O-N 3.13Å; F673-T677 VanDerWaalsContact CE1-OG1 3.26Å; F673-T677 WeakPolarHBondContact CE1-OG1 3.45Å; F673-T677 PolarHBondContact O-N 3.01Å; F673-T677 PolarHBondContact O-OG1 3.11Å
674	Y	71.1	Confident	67.5	Low	57 Å²	57	74.8 Å²	74.8	22%	0.224	38%	0.376	C	S	.	.	H	α-helix	trans	-58.2	-43.4	178.3	-165.7	-87.6	0	0	0	112.1	D646 V649 T650 F653 N670 K671 A678	D646-Y674 PolarHBondContact OD1-OH 3.06Å; V649-Y674 HydrophobicContact CG1-CD1 4.34Å; V649-Y674 HydrophobicContact CG1-CD2 4.27Å; V649-Y674 HydrophobicContact CG1-CE1 4.09Å; V649-Y674 HydrophobicContact CG1-CE2 4.02Å; V649-Y674 HydrophobicContact CG1-CG 4.43Å; T650-Y674 PolarHBondContact OG1-OH 2.97Å; T650-Y674 VanDerWaalsContact OG1-OH 3.08Å; F653-Y674 HydrophobicContact CB-CD2 4.12Å; F653-Y674 HydrophobicContact CD1-CD2 4.42Å; F653-Y674 HydrophobicContact CD2-CD2 4.17Å; F653-Y674 AromaticContact CG-CD2 3.97Å; F653-Y674 HydrophobicContact CG-CD2 3.97Å; N670-Y674 PolarHBondContact O-N 3.23Å; N670-Y674 VanDerWaalsContact O-N 3.17Å; K671-Y674 PolarHBondContact O-N 3.19Å; Y674-A678 WeakPolarHBondContact O-CB 3.22Å; Y674-A678 PolarHBondContact O-N 3.4Å
675	A	69.6	Low	67	Low	59 Å²	59	75 Å²	75	49%	0.488	39%	0.385	S	S	.	.	H	α-helix	trans	-66.2	-39.4	174.9	0	0	0	0	0	112.7	K671 F673 A678 F679	K671-A675 WeakPolarHBondContact O-CB 3.33Å; K671-A675 PolarHBondContact O-N 2.85Å; F673-A675 VanDerWaalsContact C-N 3.32Å; F673-A675 PolarHBondContact O-N 3.29Å; A675-A678 PolarHBondContact O-N 2.91Å; A675-F679 WeakPolarHBondContact O-CB 3.07Å; A675-F679 PolarHBondContact O-N 3.48Å
676	G	69.6	Low	66.4	Low	39 Å²	39	73.7 Å²	73.7	40%	0.402	38%	0.383	S	S	.	.	H	α-helix	trans	-64.2	-48	177.2	0	0	0	0	0	112.8	M672 F673 F679 S680	M672-G676 PolarHBondContact O-N 3.35Å; F673-G676 PolarHBondContact O-N 2.98Å; F673-G676 VanDerWaalsContact O-N 3.13Å; G676-F679 PolarHBondContact O-N 2.88Å; G676-S680 PolarHBondContact O-N 2.97Å; G676-S680 PolarHBondContact O-OG 3.31Å
677	T	68.7	Low	65.7	Low	7 Å²	7	72.7 Å²	72.7	4%	0.043	38%	0.376	C	S	.	.	H	α-helix	trans	-61.3	-45	174.3	-64.6	0	0	0	0	111.4	V649 E652 F673 F679 S680 D681	V649-T677 HydrophobicContact CG1-CG2 4.09Å; E652-T677 HydrophobicContact CB-CG2 4.13Å; E652-T677 HydrophobicContact CG-CG2 4.38Å; E652-T677 VanDerWaalsContact OE2-CG2 3.31Å; E652-T677 WeakPolarHBondContact OE2-CG2 3.38Å; F673-T677 VanDerWaalsContact CE1-OG1 3.26Å; F673-T677 WeakPolarHBondContact CE1-OG1 3.45Å; F673-T677 PolarHBondContact O-N 3.01Å; F673-T677 PolarHBondContact O-OG1 3.11Å; T677-F679 PolarHBondContact O-N 2.89Å; T677-S680 WeakPolarHBondContact CA-OG 3.47Å; T677-S680 PolarHBondContact O-N 2.61Å; T677-S680 PolarHBondContact O-OG 3.4Å; T677-D681 PolarHBondContact O-N 2.88Å
678	A	66.4	Low	65.2	Low	24 Å²	24	78.2 Å²	78.2	20%	0.198	40%	0.401	C	S	.	.	H	α-helix	trans	-58.4	-37.2	174.6	0	0	0	0	0	112.4	V649 Y674 A675 F682	V649-A678 HydrophobicContact CG1-CB 4.05Å; V649-A678 HydrophobicContact CG2-CB 4.28Å; Y674-A678 WeakPolarHBondContact O-CB 3.22Å; Y674-A678 PolarHBondContact O-N 3.4Å; A675-A678 PolarHBondContact O-N 2.91Å; A678-F682 WeakPolarHBondContact O-CB 3.41Å; A678-F682 PolarHBondContact O-N 3.29Å
679	F	65.8	Low	65.6	Low	128 Å²	128	75.2 Å²	75.2	56%	0.561	39%	0.391	S	S	*	.	H	α-helix	trans	-76.3	-37.1	179.8	-171	-100.4	0	0	0	113.3	A675 G676 T677 L683	A675-F679 WeakPolarHBondContact O-CB 3.07Å; A675-F679 PolarHBondContact O-N 3.48Å; G676-F679 PolarHBondContact O-N 2.88Å; T677-F679 PolarHBondContact O-N 2.89Å; F679-L683 HydrophobicContact CD1-CD1 4.13Å; F679-L683 HydrophobicContact CE1-CD1 3.68Å; F679-L683 HydrophobicContact CE1-CG 4.39Å; F679-L683 HydrophobicContact CZ-CD1 4.19Å; F679-L683 WeakPolarHBondContact O-CG 3.4Å; F679-L683 PolarHBondContact O-N 2.93Å
680	S	63.8	Low	66.5	Low	47 Å²	47	68 Å²	68	33%	0.329	37%	0.365	S	S	.	.	H	α-helix	trans	-64.6	-44.7	173.5	50.4	0	0	0	0	111.7	G676 T677 F682 L683 M684	G676-S680 PolarHBondContact O-N 2.97Å; G676-S680 PolarHBondContact O-OG 3.31Å; T677-S680 WeakPolarHBondContact CA-OG 3.47Å; T677-S680 PolarHBondContact O-N 2.61Å; T677-S680 PolarHBondContact O-OG 3.4Å; S680-F682 PolarHBondContact O-N 2.94Å; S680-L683 PolarHBondContact O-N 3.5Å; S680-M684 WeakPolarHBondContact O-CG 3.26Å; S680-M684 PolarHBondContact O-N 2.76Å
681	D	65.9	Low	67.1	Low	14 Å²	14	67.4 Å²	67.4	8%	0.075	36%	0.363	C	S	.	.	H	α-helix	trans	-69.9	-32.2	179.4	-101.9	34.3	0	0	0	113	F645 H648 T677 L683 M684 G685 S686	F645-D681 HydrophobicContact CE2-CB 3.84Å; F645-D681 HydrophobicContact CZ-CB 4.06Å; H648-D681 IonicContact CD2-OD2 2.76Å; H648-D681 PolarHBondContact CD2-OD2 2.76Å; H648-D681 VanDerWaalsContact CD2-OD2 3.23Å; H648-D681 IonicContact NE2-OD2 2.81Å; T677-D681 PolarHBondContact O-N 2.88Å; D681-L683 VanDerWaalsContact C-N 3.32Å; D681-L683 PolarHBondContact O-N 3.44Å; D681-M684 PolarHBondContact O-N 3.04Å; D681-G685 PolarHBondContact O-N 3.01Å; D681-S686 PolarHBondContact OD2-OG 3.31Å
682	F	62.4	Low	67.9	Low	94 Å²	94	68.8 Å²	68.8	41%	0.412	37%	0.369	S	S	.	.	H	α-helix	trans	-58.8	-42.2	170.4	176	-87.7	0	0	0	111.7	F645 A678 S680 M756	F645-F682 HydrophobicContact CZ-CB 4.39Å; A678-F682 WeakPolarHBondContact O-CB 3.41Å; A678-F682 PolarHBondContact O-N 3.29Å; S680-F682 PolarHBondContact O-N 2.94Å; F682-M756 HydrophobicContact CD2-CB 4.35Å; F682-M756 HydrophobicContact CD2-CG 4.49Å; F682-M756 HydrophobicContact CD2-SD 3.86Å; F682-M756 HydrophobicContact CE2-CB 4.03Å; F682-M756 HydrophobicContact CE2-SD 4.49Å
683	L	57.5	Low	69	Low	120 Å²	120	65.1 Å²	65.1	63%	0.628	35%	0.35	S	S	*	.	H	α-helix	trans	-73.1	-33.1	175.8	-66.9	175.3	0	0	0	113	F679 S680 D681	F679-L683 HydrophobicContact CD1-CD1 4.13Å; F679-L683 HydrophobicContact CE1-CD1 3.68Å; F679-L683 HydrophobicContact CE1-CG 4.39Å; F679-L683 HydrophobicContact CZ-CD1 4.19Å; F679-L683 WeakPolarHBondContact O-CG 3.4Å; F679-L683 PolarHBondContact O-N 2.93Å; S680-L683 PolarHBondContact O-N 3.5Å; D681-L683 VanDerWaalsContact C-N 3.32Å; D681-L683 PolarHBondContact O-N 3.44Å
684	M	56.2	Low	70.1	Confident	149 Å²	149	62 Å²	62	73%	0.734	34%	0.336	S	S	*	.	H	α-helix	trans	-82.9	-19.3	-179.1	-67.1	178.3	68.2	0	0	113.3	S680 D681 S686	S680-M684 WeakPolarHBondContact O-CG 3.26Å; S680-M684 PolarHBondContact O-N 2.76Å; D681-M684 PolarHBondContact O-N 3.04Å; M684-S686 PolarHBondContact O-N 2.96Å
685	G	57	Low	71.3	Confident	25 Å²	25	65.5 Å²	65.5	26%	0.258	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	36.8	166.4	0	0	0	0	0	114.7	D681 S687 K688	D681-G685 PolarHBondContact O-N 3.01Å; G685-S687 PolarHBondContact O-N 2.76Å; G685-K688 WeakPolarHBondContact O-CE 3.31Å
686	S	52.1	Low	72.6	Confident	66 Å²	66	62.8 Å²	62.8	46%	0.462	33%	0.327	S	S	.	.			trans	-66.8	-22.3	-167.5	56.1	0	0	0	0	116	D681 M684	D681-S686 PolarHBondContact OD2-OG 3.31Å; M684-S686 PolarHBondContact O-N 2.96Å
687	S	57.7	Low	73.9	Confident	28 Å²	28	62.3 Å²	62.3	20%	0.196	32%	0.316	C	S	.	.			trans	-116.3	55.2	-169.1	-164.2	0	0	0	0	114.1	G685 Q713	G685-S687 PolarHBondContact O-N 2.76Å; S687-Q713 WeakPolarHBondContact O-CG 3.45Å
688	K	61.1	Low	75.2	Confident	167 Å²	167	62.1 Å²	62.1	73%	0.726	32%	0.315	S	S	*	.	S	Bend	trans	-78.4	-13.7	-176	-73.7	172.2	-177.3	172.6	0	115.7	G685	G685-K688 WeakPolarHBondContact O-CE 3.31Å
689	D	76.8	Confident	76.7	Confident	70 Å²	70	64.9 Å²	64.9	37%	0.374	33%	0.326	S	S	.	.			trans	-124.2	11.1	-164.8	-87.5	-11.1	0	0	0	116	A691 K692 H693	D689-A691 VanDerWaalsContact C-N 3.3Å; D689-A691 PolarHBondContact O-N 2.95Å; D689-A691 VanDerWaalsContact O-N 3.16Å; D689-K692 HydrophobicContact CB-CD 4.16Å; D689-K692 WeakPolarHBondContact O-CB 3.16Å; D689-K692 PolarHBondContact O-N 3.36Å; D689-K692 WeakPolarHBondContact OD1-CD 3.13Å; D689-K692 WeakPolarHBondContact OD1-CE 3.28Å; D689-K692 IonicContact OD1-NZ 3.49Å; D689-K692 PolarHBondContact OD1-NZ 2.56Å; D689-K692 IonicContact OD2-NZ 2.74Å; D689-K692 PolarHBondContact OD2-NZ 2.89Å; D689-H693 PolarHBondContact O-CD2 2.55Å; D689-H693 VanDerWaalsContact O-CD2 3.25Å
690	L	87.2	Confident	78	Confident	13 Å²	13	62.1 Å²	62.1	7%	0.068	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-47.6	-49.5	-176.6	178.9	66.9	0	0	0	113.1	L643 K692 H693 I694 Q713 V715 I785	L643-L690 HydrophobicContact CD1-CD1 4.33Å; L690-K692 PolarHBondContact O-N 3.32Å; L690-K692 VanDerWaalsContact O-N 3.12Å; L690-H693 PolarHBondContact O-N 3.47Å; L690-I694 HydrophobicContact CD1-CG2 3.97Å; L690-I694 HydrophobicContact CD2-CD1 4.43Å; L690-I694 HydrophobicContact CG-CD1 4.09Å; L690-Q713 WeakPolarHBondContact CD2-O 3.46Å; L690-V715 HydrophobicContact CD2-CG2 4.46Å; L690-I785 HydrophobicContact CD1-CD1 4.07Å; L690-I785 HydrophobicContact CD1-CG2 4.3Å
691	A	88.7	Confident	79.6	Confident	7 Å²	7	64.1 Å²	64.1	6%	0.058	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-61.3	-18.6	-177	0	0	0	0	0	115.1	D689 I707 Q708	D689-A691 VanDerWaalsContact C-N 3.3Å; D689-A691 PolarHBondContact O-N 2.95Å; D689-A691 VanDerWaalsContact O-N 3.16Å; A691-I707 HydrophobicContact CB-CG2 3.89Å; A691-I707 WeakPolarHBondContact CB-O 3.45Å; A691-Q708 WeakPolarHBondContact O-CG 3.37Å
692	K	89.7	Confident	81	Confident	138 Å²	138	66.2 Å²	66.2	60%	0.6	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-78.8	-21	175.1	-62.7	177.8	-177.9	163.2	0	113.1	D689 L690	D689-K692 HydrophobicContact CB-CD 4.16Å; D689-K692 WeakPolarHBondContact O-CB 3.16Å; D689-K692 PolarHBondContact O-N 3.36Å; D689-K692 WeakPolarHBondContact OD1-CD 3.13Å; D689-K692 WeakPolarHBondContact OD1-CE 3.28Å; D689-K692 IonicContact OD1-NZ 3.49Å; D689-K692 PolarHBondContact OD1-NZ 2.56Å; D689-K692 IonicContact OD2-NZ 2.74Å; D689-K692 PolarHBondContact OD2-NZ 2.89Å; L690-K692 PolarHBondContact O-N 3.32Å; L690-K692 VanDerWaalsContact O-N 3.12Å
693	H	90.6	Very high	82.6	Confident	43 Å²	43	62.5 Å²	62.5	20%	0.199	34%	0.34	C	S	.	.	S	Bend	trans	-113.7	5.9	-168.3	-61.9	-68.2	0	0	0	113.8	D689 L690 T781 S782 K783 I785	D689-H693 PolarHBondContact O-CD2 2.55Å; D689-H693 VanDerWaalsContact O-CD2 3.25Å; L690-H693 PolarHBondContact O-N 3.47Å; H693-T781 CarbonylContact O-C 3.56Å; H693-T781 WeakPolarHBondContact O-CA 3.42Å; H693-S782 PolarHBondContact ND1-OG 3.46Å; H693-S782 VanDerWaalsContact ND1-OG 3.12Å; H693-S782 PolarHBondContact O-N 3.2Å; H693-K783 HydrophobicContact CB-CD 4.38Å; H693-K783 HydrophobicContact CB-CG 4.17Å; H693-K783 WeakPolarHBondContact CD2-CE 3.06Å; H693-K783 PolarHBondContact CD2-NZ 2.96Å; H693-K783 PolarHBondContact NE2-NZ 2.83Å; H693-I785 HydrophobicContact CB-CD1 4.23Å
694	I	94.1	Very high	84.3	Confident	6 Å²	6	57.5 Å²	57.5	3%	0.031	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.6	-179.8	68.1	174.7	0	0	0	110.7	L643 L690 V696 I707 V715 L779 T780 T781 I785	L643-I694 HydrophobicContact CD1-CD1 4.35Å; L643-I694 HydrophobicContact CD1-CG2 3.82Å; L690-I694 HydrophobicContact CD1-CG2 3.97Å; L690-I694 HydrophobicContact CD2-CD1 4.43Å; L690-I694 HydrophobicContact CG-CD1 4.09Å; I694-V696 HydrophobicContact CD1-CG2 4.34Å; I694-I707 HydrophobicContact CD1-CG2 4.04Å; I694-I707 HydrophobicContact CG1-CG2 4.21Å; I694-V715 HydrophobicContact CD1-CG2 3.97Å; I694-L779 HydrophobicContact CB-CD1 4.08Å; I694-L779 HydrophobicContact CG2-CD1 4.42Å; I694-T780 WeakPolarHBondContact CA-O 3.38Å; I694-T781 HydrophobicContact CG2-CG2 4.23Å; I694-I785 HydrophobicContact CG2-CD1 3.77Å
695	R	95.7	Very high	86.2	Confident	132 Å²	132	54.5 Å²	54.5	50%	0.498	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131	167.2	-171.7	-170.2	177.6	179.7	-0.8	108	D702 T704 L779 T780	R695-D702 IonicContact CZ-OD2 2.77Å; R695-D702 IonicContact NE-OD2 3.88Å; R695-D702 PolarHBondContact NE-OD2 3.21Å; R695-D702 IonicContact NH2-OD2 2.72Å; R695-D702 PolarHBondContact NH2-OD2 3.13Å; R695-T704 WeakPolarHBondContact CA-OG1 3.36Å; R695-T704 HydrophobicContact CG-CG2 4.38Å; R695-T704 WeakPolarHBondContact CG-OG1 3.36Å; R695-L779 CarbonylContact O-C 3.58Å; R695-L779 WeakPolarHBondContact O-CA 3.24Å; R695-T780 PolarHBondContact N-O 2.75Å; R695-T780 PolarHBondContact O-N 3.05Å
696	V	96.9	Very high	87.9	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	118.1	-177.1	-174	0	0	0	0	110	I694 L703 T704 I707 F717 V777 L779	I694-V696 HydrophobicContact CD1-CG2 4.34Å; V696-L703 PolarHBondContact O-N 3.38Å; V696-T704 PolarHBondContact N-OG1 2.83Å; V696-I707 HydrophobicContact CB-CD1 3.65Å; V696-I707 HydrophobicContact CG1-CD1 4.36Å; V696-I707 HydrophobicContact CG2-CD1 3.47Å; V696-I707 VanDerWaalsContact CG2-CD1 3.47Å; V696-F717 HydrophobicContact CG1-CE1 4.4Å; V696-F717 HydrophobicContact CG1-CZ 4.22Å; V696-V777 HydrophobicContact CG1-CG1 4.26Å; V696-L779 HydrophobicContact CG2-CD1 3.91Å
697	V	97.7	Very high	89.9	Confident	29 Å²	29	54 Å²	54	18%	0.176	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.4	174.4	-175.9	0	0	0	0	108.7	T701 D702 V777 V778	V697-T701 CarbonylContact C-O 3.59Å; V697-T701 WeakPolarHBondContact CA-O 3.32Å; V697-D702 HydrophobicContact CG2-CB 4.26Å; V697-V777 CarbonylContact O-C 3.56Å; V697-V777 WeakPolarHBondContact O-CA 3.12Å; V697-V778 HydrophobicContact CB-CB 4.47Å; V697-V778 PolarHBondContact N-O 2.78Å; V697-V778 PolarHBondContact O-N 3.16Å
698	C	97.1	Very high	91.5	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.02	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	124.6	-179.6	-65.5	0	0	0	0	109.8	G700 T701 L703 T772 C774 E776	C698-G700 PolarHBondContact O-N 3.1Å; C698-T701 PolarHBondContact N-O 3.04Å; C698-T701 WeakPolarHBondContact O-CB 3.44Å; C698-T701 PolarHBondContact O-N 3.02Å; C698-L703 HydrophobicContact CB-CD1 3.94Å; C698-L703 HydrophobicContact CB-CG 4.45Å; C698-T772 HydrophobicContact CB-CG2 3.75Å; C698-C774 HydrophobicContact CB-CB 3.77Å; C698-E776 CarbonylContact C-O 3.48Å; C698-E776 WeakPolarHBondContact CA-O 3.16Å
699	D	96.3	Very high	93	Very high	83 Å²	83	55.2 Å²	55.2	44%	0.444	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	29.2	-175.1	-66.3	-14.5	0	0	0	114.4	C774 R775 E776	D699-C774 VanDerWaalsContact OD2-CA 3.22Å; D699-C774 WeakPolarHBondContact OD2-CA 3.27Å; D699-C774 WeakPolarHBondContact OD2-CB 3.31Å; D699-R775 VanDerWaalsContact CG-N 3.28Å; D699-R775 WeakPolarHBondContact OD1-CA 3.49Å; D699-R775 PolarHBondContact OD1-N 3.3Å; D699-R775 PolarHBondContact OD2-N 3.1Å; D699-E776 PolarHBondContact N-O 3.43Å; D699-E776 PolarHBondContact OD1-N 3.19Å
700	G	94.3	Very high	93.6	Very high	69 Å²	69	54.6 Å²	54.6	71%	0.711	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.1	-9.2	-176.9	0	0	0	0	0	115.3	C698	C698-G700 PolarHBondContact O-N 3.1Å
701	T	96.3	Very high	93.9	Very high	89 Å²	89	60.1 Å²	60.1	55%	0.546	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	124.7	173.9	-55.9	0	0	0	0	110.7	V697 C698 L703	V697-T701 CarbonylContact C-O 3.59Å; V697-T701 WeakPolarHBondContact CA-O 3.32Å; C698-T701 PolarHBondContact N-O 3.04Å; C698-T701 WeakPolarHBondContact O-CB 3.44Å; C698-T701 PolarHBondContact O-N 3.02Å; T701-L703 HydrophobicContact CG2-CD2 4.1Å; T701-L703 PolarHBondContact O-N 3.32Å
702	D	96.5	Very high	94	Very high	58 Å²	58	60 Å²	60	31%	0.31	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	109.7	177.4	-157.2	-41.4	0	0	0	110.6	R695 V697 T704	R695-D702 IonicContact CZ-OD2 2.77Å; R695-D702 IonicContact NE-OD2 3.88Å; R695-D702 PolarHBondContact NE-OD2 3.21Å; R695-D702 IonicContact NH2-OD2 2.72Å; R695-D702 PolarHBondContact NH2-OD2 3.13Å; V697-D702 HydrophobicContact CG2-CB 4.26Å; D702-T704 VanDerWaalsContact C-N 3.34Å; D702-T704 WeakPolarHBondContact OD1-CB 3.49Å; D702-T704 PolarHBondContact OD1-N 3.32Å; D702-T704 VanDerWaalsContact OD1-N 3.09Å; D702-T704 PolarHBondContact OD1-OG1 2.92Å
703	L	95.4	Very high	94	Very high	17 Å²	17	55.3 Å²	55.3	9%	0.089	30%	0.296	C	S	.	.			trans	-89.1	-2.2	-178.8	-59.8	-177.3	0	0	0	112.9	V696 C698 T701 P705 K706 I707 T772	V696-L703 PolarHBondContact O-N 3.38Å; C698-L703 HydrophobicContact CB-CD1 3.94Å; C698-L703 HydrophobicContact CB-CG 4.45Å; T701-L703 HydrophobicContact CG2-CD2 4.1Å; T701-L703 PolarHBondContact O-N 3.32Å; L703-P705 VanDerWaalsContact C-CD 3.44Å; L703-P705 VanDerWaalsContact C-N 3.32Å; L703-K706 PolarHBondContact O-N 2.56Å; L703-I707 HydrophobicContact CB-CD1 4.42Å; L703-I707 PolarHBondContact O-N 3.34Å; L703-T772 HydrophobicContact CD1-CG2 3.66Å
704	T	94.2	Very high	94	Very high	15 Å²	15	53.3 Å²	53.3	9%	0.092	29%	0.286	C	S	.	.	H	α-helix	trans	-54.3	-39.1	-176.6	-48.8	0	0	0	0	113.4	R695 V696 D702 I707 Q708	R695-T704 WeakPolarHBondContact CA-OG1 3.36Å; R695-T704 HydrophobicContact CG-CG2 4.38Å; R695-T704 WeakPolarHBondContact CG-OG1 3.36Å; V696-T704 PolarHBondContact N-OG1 2.83Å; D702-T704 VanDerWaalsContact C-N 3.34Å; D702-T704 WeakPolarHBondContact OD1-CB 3.49Å; D702-T704 PolarHBondContact OD1-N 3.32Å; D702-T704 VanDerWaalsContact OD1-N 3.09Å; D702-T704 PolarHBondContact OD1-OG1 2.92Å; T704-I707 PolarHBondContact O-N 2.82Å; T704-Q708 HydrophobicContact CG2-CG 4.29Å; T704-Q708 WeakPolarHBondContact O-CB 3.44Å; T704-Q708 WeakPolarHBondContact O-CG 3.35Å; T704-Q708 PolarHBondContact O-N 2.88Å
705	P	94.4	Very high	94.1	Very high	85 Å²	85	53 Å²	53	55%	0.552	29%	0.285	S	S	*	.	H	α-helix	trans	-61.5	-43.6	174.1	-24.1	35.5	0	0	0	113.5	L703 I707 Q708 D709	L703-P705 VanDerWaalsContact C-CD 3.44Å; L703-P705 VanDerWaalsContact C-N 3.32Å; P705-I707 VanDerWaalsContact C-N 3.3Å; P705-I707 PolarHBondContact O-N 3.28Å; P705-Q708 PolarHBondContact O-N 3.27Å; P705-D709 PolarHBondContact O-N 2.85Å
706	K	93.1	Very high	94.1	Very high	81 Å²	81	46.7 Å²	46.7	35%	0.352	26%	0.261	S	S	.	.	H	α-helix	trans	-63.9	-36.2	177.1	-176.8	175.4	174.6	-178.5	0	111.2	L703 L710 R770 L771	L703-K706 PolarHBondContact O-N 2.56Å; K706-L710 HydrophobicContact CG-CD1 3.85Å; K706-L710 WeakPolarHBondContact O-CB 3.39Å; K706-L710 VanDerWaalsContact O-CG 3.27Å; K706-L710 WeakPolarHBondContact O-CG 3.5Å; K706-L710 PolarHBondContact O-N 3.04Å; K706-L710 VanDerWaalsContact O-N 3.12Å; K706-R770 PolarHBondContact NZ-O 2.77Å; K706-L771 HydrophobicContact CD-CD2 4.22Å; K706-L771 HydrophobicContact CG-CD2 4.29Å; K706-L771 PolarHBondContact NZ-O 3.25Å
707	I	93.7	Very high	94.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-71	-40.1	175.5	-68.6	171.6	0	0	0	111.7	A691 I694 V696 L703 T704 P705 D709 K711 P712 L771	A691-I707 HydrophobicContact CB-CG2 3.89Å; A691-I707 WeakPolarHBondContact CB-O 3.45Å; I694-I707 HydrophobicContact CD1-CG2 4.04Å; I694-I707 HydrophobicContact CG1-CG2 4.21Å; V696-I707 HydrophobicContact CB-CD1 3.65Å; V696-I707 HydrophobicContact CG1-CD1 4.36Å; V696-I707 HydrophobicContact CG2-CD1 3.47Å; V696-I707 VanDerWaalsContact CG2-CD1 3.47Å; L703-I707 HydrophobicContact CB-CD1 4.42Å; L703-I707 PolarHBondContact O-N 3.34Å; T704-I707 PolarHBondContact O-N 2.82Å; P705-I707 VanDerWaalsContact C-N 3.3Å; P705-I707 PolarHBondContact O-N 3.28Å; I707-D709 VanDerWaalsContact C-N 3.32Å; I707-D709 PolarHBondContact O-N 2.82Å; I707-K711 WeakPolarHBondContact O-CA 3.33Å; I707-K711 PolarHBondContact O-N 3.33Å; I707-P712 HydrophobicContact CG2-CG 4.19Å; I707-P712 VanDerWaalsContact O-CD 3.27Å; I707-P712 WeakPolarHBondContact O-CD 3.33Å; I707-L771 HydrophobicContact CD1-CD1 4.25Å; I707-L771 HydrophobicContact CG1-CD1 3.97Å
708	Q	92.1	Very high	94.1	Very high	101 Å²	101	45.3 Å²	45.3	47%	0.472	25%	0.253	S	S	.	.	H	α-helix	trans	-70.2	-26.5	177.9	-75.8	178.3	-2.9	0	0	113.5	A691 T704 P705 K711	A691-Q708 WeakPolarHBondContact O-CG 3.37Å; T704-Q708 HydrophobicContact CG2-CG 4.29Å; T704-Q708 WeakPolarHBondContact O-CB 3.44Å; T704-Q708 WeakPolarHBondContact O-CG 3.35Å; T704-Q708 PolarHBondContact O-N 2.88Å; P705-Q708 PolarHBondContact O-N 3.27Å; Q708-K711 VanDerWaalsContact O-CE 3.24Å; Q708-K711 WeakPolarHBondContact O-CE 3.39Å; Q708-K711 VanDerWaalsContact O-CG 3.27Å; Q708-K711 WeakPolarHBondContact O-CG 3.42Å
709	D	92.5	Very high	94	Very high	119 Å²	119	45.2 Å²	45.2	64%	0.636	25%	0.252	S	S	*	.	H	α-helix	trans	-75.9	-56.9	172.9	-171.4	49.3	0	0	0	111.6	P705 I707 K711	P705-D709 PolarHBondContact O-N 2.85Å; I707-D709 VanDerWaalsContact C-N 3.32Å; I707-D709 PolarHBondContact O-N 2.82Å; D709-K711 VanDerWaalsContact C-N 3.29Å; D709-K711 PolarHBondContact O-N 3.07Å
710	L	90.2	Very high	94	Very high	58 Å²	58	41.2 Å²	41.2	30%	0.304	23%	0.231	S	C	.	.	H	α-helix	trans	-67.8	-21.8	-178.1	-65.8	173.8	0	0	0	114.4	K706 E769 L771	K706-L710 HydrophobicContact CG-CD1 3.85Å; K706-L710 WeakPolarHBondContact O-CB 3.39Å; K706-L710 VanDerWaalsContact O-CG 3.27Å; K706-L710 WeakPolarHBondContact O-CG 3.5Å; K706-L710 PolarHBondContact O-N 3.04Å; K706-L710 VanDerWaalsContact O-N 3.12Å; L710-E769 HydrophobicContact CD1-CB 4.33Å; L710-L771 HydrophobicContact CD1-CD2 3.7Å
711	K	91.9	Very high	93.9	Very high	128 Å²	128	39.4 Å²	39.4	56%	0.557	21%	0.206	S	C	*	.			trans	47.8	50.7	177.1	-62.5	159	-169	139.8	0	114.5	I707 Q708 D709 Q713	I707-K711 WeakPolarHBondContact O-CA 3.33Å; I707-K711 PolarHBondContact O-N 3.33Å; Q708-K711 VanDerWaalsContact O-CE 3.24Å; Q708-K711 WeakPolarHBondContact O-CE 3.39Å; Q708-K711 VanDerWaalsContact O-CG 3.27Å; Q708-K711 WeakPolarHBondContact O-CG 3.42Å; D709-K711 VanDerWaalsContact C-N 3.29Å; D709-K711 PolarHBondContact O-N 3.07Å; K711-Q713 PolarHBondContact O-NE2 3.06Å
712	P	91.3	Very high	93.7	Very high	4 Å²	4	38.1 Å²	38.1	3%	0.026	19%	0.191	C	C	.	.			trans	-64.9	140.9	178.4	30.4	-35.5	0	0	0	111.2	I707 C714 V715 F754	I707-P712 HydrophobicContact CG2-CG 4.19Å; I707-P712 VanDerWaalsContact O-CD 3.27Å; I707-P712 WeakPolarHBondContact O-CD 3.33Å; P712-C714 VanDerWaalsContact C-N 3.33Å; P712-V715 HydrophobicContact CG-CG2 3.99Å; P712-F754 CarbonylContact C-O 3.45Å; P712-F754 VanDerWaalsContact CA-O 3.3Å; P712-F754 WeakPolarHBondContact CA-O 3.47Å; P712-F754 WeakPolarHBondContact CB-O 3.33Å
713	Q	89.5	Confident	93.4	Very high	41 Å²	41	35.5 Å²	35.5	19%	0.192	18%	0.177	C	C	.	.	S	Bend	trans	-84.5	-9.8	174.3	-63.8	84.7	34.4	0	0	112.7	F645 S687 L690 K711 F754 T755 M756	F645-Q713 HydrophobicContact CB-CB 4.4Å; F645-Q713 WeakPolarHBondContact CB-O 3.41Å; F645-Q713 PolarHBondContact N-O 3.12Å; S687-Q713 WeakPolarHBondContact O-CG 3.45Å; L690-Q713 WeakPolarHBondContact CD2-O 3.46Å; K711-Q713 PolarHBondContact O-NE2 3.06Å; Q713-F754 PolarHBondContact N-O 2.91Å; Q713-T755 VanDerWaalsContact OE1-CA 3.23Å; Q713-M756 HydrophobicContact CB-CE 3.83Å; Q713-M756 HydrophobicContact CG-CE 4.42Å; Q713-M756 HydrophobicContact CG-CG 4.39Å
714	C	91.1	Very high	92.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	144.1	171.2	177.9	0	0	0	0	110.6	L643 F645 D646 P712 F754	L643-C714 WeakPolarHBondContact O-CA 3.14Å; L643-C714 PolarHBondContact O-SG 3.01Å; F645-C714 HydrophobicContact CB-CB 4.2Å; D646-C714 VanDerWaalsContact CB-SG 3.6Å; P712-C714 VanDerWaalsContact C-N 3.33Å; C714-F754 HydrophobicContact CB-CB 4.27Å; C714-F754 PolarHBondContact N-O 2.95Å; C714-F754 PolarHBondContact O-N 3.33Å
715	V	95.4	Very high	92.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	136.4	169.3	178.6	0	0	0	0	108.4	S642 L643 L690 I694 P712 F717 V751 I752	S642-V715 WeakPolarHBondContact CA-O 3.41Å; L643-V715 HydrophobicContact CD2-CB 3.98Å; L643-V715 HydrophobicContact CD2-CG1 4.42Å; L643-V715 HydrophobicContact CG-CB 4.45Å; L643-V715 PolarHBondContact N-O 3.34Å; L643-V715 PolarHBondContact O-N 2.76Å; L643-V715 VanDerWaalsContact O-N 3.1Å; L690-V715 HydrophobicContact CD2-CG2 4.46Å; I694-V715 HydrophobicContact CD1-CG2 3.97Å; P712-V715 HydrophobicContact CG-CG2 3.99Å; V715-F717 HydrophobicContact CG1-CE2 3.95Å; V715-F717 HydrophobicContact CG1-CZ 4.03Å; V715-V751 HydrophobicContact CG1-CG1 4.27Å; V715-I752 WeakPolarHBondContact CA-O 3.18Å
716	V	96.3	Very high	91.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.3	-177.1	-166.7	0	0	0	0	109.7	L718 Y723 I752 F754	V716-L718 HydrophobicContact CG1-CD1 4.24Å; V716-L718 HydrophobicContact CG1-CD2 4.32Å; V716-L718 HydrophobicContact CG1-CG 3.89Å; V716-Y723 HydrophobicContact CG1-CD2 4.39Å; V716-Y723 HydrophobicContact CG1-CE2 3.86Å; V716-Y723 HydrophobicContact CG2-CE2 4.35Å; V716-I752 PolarHBondContact N-O 3.24Å; V716-I752 PolarHBondContact O-N 3.32Å; V716-F754 HydrophobicContact CB-CE2 4.3Å; V716-F754 HydrophobicContact CG2-CD2 3.71Å; V716-F754 HydrophobicContact CG2-CE2 3.64Å
717	F	97.3	Very high	91.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	112.1	172.4	-58.1	-91.2	0	0	0	107.7	Y640 F641 L643 V696 V715 E750 V751 V777 L779 I803	Y640-F717 CarbonylContact C-O 3.56Å; Y640-F717 WeakPolarHBondContact CA-O 3.25Å; Y640-F717 VanDerWaalsContact CB-O 3.32Å; Y640-F717 WeakPolarHBondContact CB-O 3.32Å; F641-F717 HydrophobicContact CB-CB 4.5Å; F641-F717 AromaticContact CD1-CD2 3.62Å; F641-F717 HydrophobicContact CD1-CD2 3.62Å; F641-F717 HydrophobicContact CD1-CE2 4.18Å; F641-F717 HydrophobicContact CD1-CG 4.39Å; F641-F717 HydrophobicContact CE1-CD2 4.2Å; F641-F717 HydrophobicContact CE1-CE2 4.3Å; F641-F717 PolarHBondContact N-O 3.44Å; F641-F717 PolarHBondContact O-N 3.02Å; L643-F717 HydrophobicContact CD2-CD2 4.46Å; L643-F717 HydrophobicContact CD2-CE2 3.76Å; V696-F717 HydrophobicContact CG1-CE1 4.4Å; V696-F717 HydrophobicContact CG1-CZ 4.22Å; V715-F717 HydrophobicContact CG1-CE2 3.95Å; V715-F717 HydrophobicContact CG1-CZ 4.03Å; F717-E750 WeakPolarHBondContact CA-O 3.23Å; F717-V751 HydrophobicContact CD1-CB 4.36Å; F717-V751 HydrophobicContact CD1-CG1 3.91Å; F717-V751 HydrophobicContact CD1-CG2 3.77Å; F717-V751 HydrophobicContact CE1-CB 4.38Å; F717-V751 HydrophobicContact CE1-CG1 3.56Å; F717-V751 HydrophobicContact CE1-CG2 3.93Å; F717-V751 HydrophobicContact CZ-CG1 4.21Å; F717-V777 HydrophobicContact CD1-CG1 4.33Å; F717-V777 HydrophobicContact CD1-CG2 3.89Å; F717-V777 HydrophobicContact CE1-CB 4.28Å; F717-V777 HydrophobicContact CE1-CG1 3.56Å; F717-V777 HydrophobicContact CE1-CG2 3.82Å; F717-V777 HydrophobicContact CZ-CG1 3.95Å; F717-L779 HydrophobicContact CE2-CD2 4.37Å; F717-I803 HydrophobicContact CD1-CD1 4.27Å; F717-I803 HydrophobicContact CD2-CD1 4.29Å; F717-I803 HydrophobicContact CG-CD1 4.1Å
718	L	96.4	Very high	91	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	142.4	-173	-72.2	141.7	0	0	0	111.5	Y640 V716 Y723 P729 L749 E750 I752	Y640-L718 HydrophobicContact CD1-CD2 4.08Å; Y640-L718 HydrophobicContact CG-CD2 4.46Å; V716-L718 HydrophobicContact CG1-CD1 4.24Å; V716-L718 HydrophobicContact CG1-CD2 4.32Å; V716-L718 HydrophobicContact CG1-CG 3.89Å; L718-Y723 HydrophobicContact CD2-CD2 4.06Å; L718-Y723 HydrophobicContact CD2-CG 4.35Å; L718-P729 HydrophobicContact CD1-CB 4.24Å; L718-P729 HydrophobicContact CD1-CG 3.54Å; L718-P729 HydrophobicContact CD2-CG 4.04Å; L718-P729 HydrophobicContact CG-CG 4.47Å; L718-L749 WeakPolarHBondContact O-CA 3.41Å; L718-L749 WeakPolarHBondContact O-CD2 3.44Å; L718-E750 HydrophobicContact CB-CB 4.31Å; L718-E750 PolarHBondContact N-O 3.09Å; L718-E750 PolarHBondContact O-N 2.88Å; L718-E750 VanDerWaalsContact O-N 3.16Å; L718-I752 HydrophobicContact CD1-CD1 3.33Å; L718-I752 HydrophobicContact CD1-CG1 3.93Å
719	N	96.9	Very high	90.9	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.152	C	C	.	.	S	Bend	trans	-116.6	-4.8	170.3	176.3	68.5	0	0	0	112.1	D607 W609 F637 N638 N639 H744 L749	D607-N719 WeakPolarHBondContact CB-OD1 3.36Å; D607-N719 PolarHBondContact O-ND2 3.33Å; D607-N719 PolarHBondContact O-OD1 2.91Å; W609-N719 PolarHBondContact NE1-OD1 2.8Å; F637-N719 HydrophobicContact CD2-CB 4.47Å; F637-N719 HydrophobicContact CE2-CB 3.99Å; N638-N719 PolarHBondContact O-ND2 3.12Å; N639-N719 PolarHBondContact O-N 3.13Å; N719-H744 WeakPolarHBondContact O-CA 3.35Å; N719-H744 WeakPolarHBondContact O-CB 3.4Å; N719-L749 HydrophobicContact CB-CD2 3.99Å
720	I	95.5	Very high	90.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-137.2	146.8	179.5	64	170	0	0	0	111.9	D575 L576 T579 L606 N639 R722 H744	D575-I720 HydrophobicContact CB-CD1 4.23Å; L576-I720 HydrophobicContact CB-CD1 4.36Å; L576-I720 HydrophobicContact CD1-CD1 4.49Å; L576-I720 HydrophobicContact CD1-CG2 3.97Å; T579-I720 HydrophobicContact CG2-CB 4.16Å; T579-I720 HydrophobicContact CG2-CG2 4.25Å; L606-I720 HydrophobicContact CD1-CG2 4Å; N639-I720 HydrophobicContact CB-CD1 3.65Å; N639-I720 HydrophobicContact CB-CG1 4.07Å; I720-R722 WeakPolarHBondContact CD1-O 3.42Å; I720-R722 WeakPolarHBondContact CG1-O 3.25Å; I720-R722 PolarHBondContact O-N 3.45Å; I720-H744 HydrophobicContact CG2-CB 4.14Å
721	P	91.7	Very high	90.4	Very high	30 Å²	30	21.2 Å²	21.2	20%	0.195	12%	0.118	C	C	.	.	S	Bend	trans	-63.6	4.2	177.1	-21.4	29.6	0	0	0	117.6	Q742	P721-Q742 HydrophobicContact CB-CG 4.44Å; P721-Q742 HydrophobicContact CG-CG 4.1Å
722	R	91.9	Very high	89.7	Confident	63 Å²	63	21.6 Å²	21.6	24%	0.238	12%	0.121	C	C	.	.			trans	-132.2	129.1	-171.8	-63.9	-67	174	164.3	-3.9	111.2	D575 R578 T579 I720 G726 T727 M728	D575-R722 HydrophobicContact CB-CB 4.22Å; R578-R722 HydrophobicContact CB-CB 4.39Å; R578-R722 HydrophobicContact CB-CG 3.97Å; T579-R722 WeakPolarHBondContact OG1-CG 3.43Å; I720-R722 WeakPolarHBondContact CD1-O 3.42Å; I720-R722 WeakPolarHBondContact CG1-O 3.25Å; I720-R722 PolarHBondContact O-N 3.45Å; R722-G726 VanDerWaalsContact CD-O 3.26Å; R722-G726 WeakPolarHBondContact CD-O 3.28Å; R722-G726 PolarHBondContact NH1-O 2.86Å; R722-T727 WeakPolarHBondContact CA-O 3.44Å; R722-M728 VanDerWaalsContact CZ-CG 3.49Å; R722-M728 PolarHBondContact NH2-SD 3.13Å
723	Y	90.2	Very high	88.3	Confident	3 Å²	3	22 Å²	22	1%	0.012	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-140.7	163.4	-173.4	178.1	-108.3	0	0	0	109.9	Y640 D646 V716 L718 A725 G726 T727 P729 F754 L762	Y640-Y723 AromaticContact CD1-CD2 3.8Å; Y640-Y723 HydrophobicContact CD1-CD2 3.8Å; Y640-Y723 HydrophobicContact CD1-CE2 4.5Å; Y640-Y723 HydrophobicContact CD2-CE2 4.45Å; Y640-Y723 AromaticContact CE1-CD2 3.77Å; Y640-Y723 HydrophobicContact CE1-CD2 3.77Å; Y640-Y723 HydrophobicContact CE2-CE2 4.48Å; Y640-Y723 HydrophobicContact CG-CD2 4.18Å; Y640-Y723 HydrophobicContact CG-CE2 4.46Å; D646-Y723 PolarHBondContact OD1-OH 3.18Å; D646-Y723 PolarHBondContact OD2-OH 3.25Å; V716-Y723 HydrophobicContact CG1-CD2 4.39Å; V716-Y723 HydrophobicContact CG1-CE2 3.86Å; V716-Y723 HydrophobicContact CG2-CE2 4.35Å; L718-Y723 HydrophobicContact CD2-CD2 4.06Å; L718-Y723 HydrophobicContact CD2-CG 4.35Å; Y723-A725 VanDerWaalsContact C-N 3.35Å; Y723-A725 PolarHBondContact O-N 2.93Å; Y723-A725 VanDerWaalsContact O-N 3.12Å; Y723-G726 CarbonylContact O-C 3.51Å; Y723-G726 PolarHBondContact O-N 2.95Å; Y723-T727 PolarHBondContact N-O 3.36Å; Y723-T727 PolarHBondContact O-N 2.87Å; Y723-T727 PolarHBondContact O-OG1 3.26Å; Y723-P729 HydrophobicContact CD1-CB 4.38Å; Y723-P729 HydrophobicContact CD1-CG 4.38Å; Y723-P729 HydrophobicContact CG-CG 4.21Å; Y723-F754 HydrophobicContact CE1-CE2 4.5Å; Y723-L762 HydrophobicContact CD1-CD1 4.14Å; Y723-L762 HydrophobicContact CE1-CD1 3.97Å
724	C	84.2	Confident	86.7	Confident	35 Å²	35	23.5 Å²	23.5	24%	0.236	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	40.3	55.7	172.8	-159.8	0	0	0	0	114.5	G726	C724-G726 VanDerWaalsContact C-N 3.29Å; C724-G726 PolarHBondContact O-N 3.37Å
725	A	80.2	Confident	84.7	Confident	35 Å²	35	31.7 Å²	31.7	29%	0.289	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	21.1	-178.3	0	0	0	0	0	116.8	D575 R578 Y723	D575-A725 VanDerWaalsContact OD1-C 3.25Å; D575-A725 WeakPolarHBondContact OD1-CA 3.42Å; D575-A725 PolarHBondContact OD1-N 2.96Å; D575-A725 PolarHBondContact OD2-N 3.38Å; R578-A725 PolarHBondContact NE-O 2.83Å; R578-A725 VanDerWaalsContact NE-O 3.09Å; R578-A725 PolarHBondContact NH2-O 3.17Å; Y723-A725 VanDerWaalsContact C-N 3.35Å; Y723-A725 PolarHBondContact O-N 2.93Å; Y723-A725 VanDerWaalsContact O-N 3.12Å
726	G	81.8	Confident	82.7	Confident	13 Å²	13	36.4 Å²	36.4	13%	0.134	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	136.1	2	159.5	0	0	0	0	0	116.8	D575 R578 R722 Y723 C724	D575-G726 PolarHBondContact OD1-N 3.37Å; R578-G726 VanDerWaalsContact CD-CA 3.45Å; R722-G726 VanDerWaalsContact CD-O 3.26Å; R722-G726 WeakPolarHBondContact CD-O 3.28Å; R722-G726 PolarHBondContact NH1-O 2.86Å; Y723-G726 CarbonylContact O-C 3.51Å; Y723-G726 PolarHBondContact O-N 2.95Å; C724-G726 VanDerWaalsContact C-N 3.29Å; C724-G726 PolarHBondContact O-N 3.37Å
727	T	85.8	Confident	80.9	Confident	16 Å²	16	45.7 Å²	45.7	10%	0.098	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-68.1	160.6	178.1	68.2	0	0	0	0	111.2	R722 Y723 P729 L762	R722-T727 WeakPolarHBondContact CA-O 3.44Å; Y723-T727 PolarHBondContact N-O 3.36Å; Y723-T727 PolarHBondContact O-N 2.87Å; Y723-T727 PolarHBondContact O-OG1 3.26Å; T727-P729 WeakPolarHBondContact O-CD 3.42Å; T727-L762 HydrophobicContact CG2-CB 4.24Å; T727-L762 WeakPolarHBondContact CG2-O 3.32Å
728	M	88.9	Confident	79.8	Confident	54 Å²	54	51.9 Å²	51.9	27%	0.266	29%	0.286	S	S	.	.			trans	-114.5	81.3	-177.9	-63.2	-165.3	-59.4	0	0	110.2	R722 W730 G731	R722-M728 VanDerWaalsContact CZ-CG 3.49Å; R722-M728 PolarHBondContact NH2-SD 3.13Å; M728-W730 VanDerWaalsContact C-N 3.28Å; M728-W730 PolarHBondContact O-N 3.43Å; M728-G731 PolarHBondContact O-N 3.35Å
729	P	89.4	Confident	79.2	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-22.7	-163.6	28.1	-38.5	0	0	0	114.9	L718 Y723 T727 G731 I752 F754 L762 H767 G768	L718-P729 HydrophobicContact CD1-CB 4.24Å; L718-P729 HydrophobicContact CD1-CG 3.54Å; L718-P729 HydrophobicContact CD2-CG 4.04Å; L718-P729 HydrophobicContact CG-CG 4.47Å; Y723-P729 HydrophobicContact CD1-CB 4.38Å; Y723-P729 HydrophobicContact CD1-CG 4.38Å; Y723-P729 HydrophobicContact CG-CG 4.21Å; T727-P729 WeakPolarHBondContact O-CD 3.42Å; P729-G731 VanDerWaalsContact C-N 3.33Å; P729-I752 HydrophobicContact CB-CD1 3.88Å; P729-I752 HydrophobicContact CG-CD1 4.2Å; P729-F754 HydrophobicContact CB-CZ 3.74Å; P729-L762 HydrophobicContact CB-CD2 3.93Å; P729-H767 WeakPolarHBondContact O-CB 3.4Å; P729-G768 PolarHBondContact O-N 2.92Å
730	W	89.9	Confident	78.7	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.008	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-18.6	174.7	-167.5	-115.8	0	0	0	113.1	M728 F739 E740 Q742 E750 I752 R770 Q773	M728-W730 VanDerWaalsContact C-N 3.28Å; M728-W730 PolarHBondContact O-N 3.43Å; W730-F739 AromaticContact CH2-CD1 3.82Å; W730-F739 HydrophobicContact CH2-CD1 3.82Å; W730-F739 HydrophobicContact CH2-CE1 4.14Å; W730-F739 HydrophobicContact CH2-CG 4.12Å; W730-F739 HydrophobicContact CZ2-CB 3.8Å; W730-F739 AromaticContact CZ2-CD1 3.72Å; W730-F739 HydrophobicContact CZ2-CD1 3.72Å; W730-F739 HydrophobicContact CZ2-CE1 4.49Å; W730-F739 AromaticContact CZ2-CG 3.75Å; W730-F739 HydrophobicContact CZ2-CG 3.75Å; W730-E740 PolarHBondContact NE1-O 2.83Å; W730-E740 VanDerWaalsContact NE1-O 3.16Å; W730-Q742 HydrophobicContact CB-CB 4.25Å; W730-Q742 VanDerWaalsContact CB-OE1 3.31Å; W730-Q742 HydrophobicContact CG-CB 3.99Å; W730-E750 HydrophobicContact CD2-CB 4.03Å; W730-E750 HydrophobicContact CD2-CG 3.44Å; W730-E750 VanDerWaalsContact CD2-CG 3.44Å; W730-E750 HydrophobicContact CE3-CB 3.61Å; W730-E750 HydrophobicContact CE3-CG 3.56Å; W730-E750 HydrophobicContact CG-CG 3.97Å; W730-E750 HydrophobicContact CH2-CB 4.3Å; W730-E750 HydrophobicContact CH2-CG 4.02Å; W730-E750 HydrophobicContact CZ2-CG 3.9Å; W730-E750 HydrophobicContact CZ3-CB 3.76Å; W730-E750 HydrophobicContact CZ3-CG 3.85Å; W730-I752 HydrophobicContact CB-CD1 4.24Å; W730-I752 HydrophobicContact CE3-CD1 3.73Å; W730-I752 HydrophobicContact CE3-CG1 3.73Å; W730-I752 HydrophobicContact CZ3-CG1 4.04Å; W730-R770 HydrophobicContact CD2-CG 4.13Å; W730-R770 HydrophobicContact CE3-CB 4.36Å; W730-R770 HydrophobicContact CE3-CG 3.7Å; W730-R770 HydrophobicContact CH2-CB 4.07Å; W730-R770 HydrophobicContact CH2-CG 4.16Å; W730-R770 HydrophobicContact CZ3-CB 3.86Å; W730-R770 HydrophobicContact CZ3-CG 3.73Å; W730-Q773 HydrophobicContact CH2-CG 3.84Å; W730-Q773 VanDerWaalsContact CZ2-CD 3.47Å; W730-Q773 HydrophobicContact CZ2-CG 3.6Å
731	G	83.3	Confident	78.3	Confident	21 Å²	21	64.4 Å²	64.4	22%	0.216	35%	0.351	C	S	.	.			trans	64.6	-158.9	-171.7	0	0	0	0	0	113.3	M728 P729	M728-G731 PolarHBondContact O-N 3.35Å; P729-G731 VanDerWaalsContact C-N 3.33Å
732	H	76	Confident	78.1	Confident	135 Å²	135	64.2 Å²	64.2	63%	0.625	35%	0.347	S	S	*	.			trans	-106.3	111.1	173.7	-63.7	115.3	0	0	0	109	G734	H732-G734 PolarHBondContact O-N 2.92Å; H732-G734 VanDerWaalsContact O-N 3.12Å
733	P	63.1	Low	78.1	Confident	13 Å²	13	65.3 Å²	65.3	8%	0.084	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-74.2	1.6	-174.6	27.7	-33.7	0	0	0	114.8	E735 H736 F739 P741	P733-E735 PolarHBondContact O-N 3.35Å; P733-H736 CarbonylContact O-C 3.52Å; P733-H736 PolarHBondContact O-N 2.82Å; P733-F739 HydrophobicContact CB-CB 4.16Å; P733-P741 HydrophobicContact CG-CG 4.47Å
734	G	56.1	Low	78.3	Confident	72 Å²	72	66.2 Å²	66.2	74%	0.742	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-58.9	-18.9	-172.4	0	0	0	0	0	116.4	H732	H732-G734 PolarHBondContact O-N 2.92Å; H732-G734 VanDerWaalsContact O-N 3.12Å
735	E	49	Very low	78.8	Confident	173 Å²	173	67 Å²	67	81%	0.808	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-84.6	-14.9	175.5	-61.3	-178.4	145.1	0	0	113.5	P733	P733-E735 PolarHBondContact O-N 3.35Å
736	H	52.6	Low	79.5	Confident	99 Å²	99	67.2 Å²	67.2	46%	0.458	35%	0.354	S	S	.	.			trans	-136.7	106.6	-175.7	-72.6	-93.9	0	0	0	111.3	P733 D738	P733-H736 CarbonylContact O-C 3.52Å; P733-H736 PolarHBondContact O-N 2.82Å; H736-D738 PolarHBondContact O-N 3.27Å
737	H	58.5	Low	80.1	Confident	195 Å²	195	67 Å²	67	90%	0.903	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	5.6	-175.9	-72.1	-55	0	0	0	116.5
738	D	74.5	Confident	80.6	Confident	130 Å²	130	69.8 Å²	69.8	70%	0.695	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-13.1	-177.7	-54.6	-51.7	0	0	0	113.7	H736	H736-D738 PolarHBondContact O-N 3.27Å
739	F	84.4	Confident	80.9	Confident	50 Å²	50	67.2 Å²	67.2	22%	0.219	35%	0.348	C	S	.	.	S	Bend	trans	-139.7	146.2	-171.5	-68	-60.3	0	0	0	113.8	W730 P733 R770	W730-F739 AromaticContact CH2-CD1 3.82Å; W730-F739 HydrophobicContact CH2-CD1 3.82Å; W730-F739 HydrophobicContact CH2-CE1 4.14Å; W730-F739 HydrophobicContact CH2-CG 4.12Å; W730-F739 HydrophobicContact CZ2-CB 3.8Å; W730-F739 AromaticContact CZ2-CD1 3.72Å; W730-F739 HydrophobicContact CZ2-CD1 3.72Å; W730-F739 HydrophobicContact CZ2-CE1 4.49Å; W730-F739 AromaticContact CZ2-CG 3.75Å; W730-F739 HydrophobicContact CZ2-CG 3.75Å; P733-F739 HydrophobicContact CB-CB 4.16Å; F739-R770 HydrophobicContact CD2-CB 4.02Å; F739-R770 HydrophobicContact CE2-CB 3.65Å; F739-R770 HydrophobicContact CZ-CB 4.17Å
740	E	85.6	Confident	81.2	Confident	136 Å²	136	67.2 Å²	67.2	64%	0.636	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-87.4	155.7	176.7	-71.7	-72.6	177.8	0	0	111.7	W730 Q742 Q773	W730-E740 PolarHBondContact NE1-O 2.83Å; W730-E740 VanDerWaalsContact NE1-O 3.16Å; E740-Q742 PolarHBondContact O-N 3.26Å; E740-Q773 PolarHBondContact O-NE2 2.8Å
741	P	86.8	Confident	81.5	Confident	78 Å²	78	67.1 Å²	67.1	51%	0.506	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-60.5	125.9	173.3	-21.8	33.8	0	0	0	112.1	P733 R743	P733-P741 HydrophobicContact CG-CG 4.47Å; P741-R743 PolarHBondContact O-N 3.39Å
742	Q	88.6	Confident	82.1	Confident	25 Å²	25	66.1 Å²	66.1	12%	0.117	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-57.2	131.7	-178.6	171.7	165.3	49.4	0	0	112.6	P721 W730 E740 E750	P721-Q742 HydrophobicContact CB-CG 4.44Å; P721-Q742 HydrophobicContact CG-CG 4.1Å; W730-Q742 HydrophobicContact CB-CB 4.25Å; W730-Q742 VanDerWaalsContact CB-OE1 3.31Å; W730-Q742 HydrophobicContact CG-CB 3.99Å; E740-Q742 PolarHBondContact O-N 3.26Å; Q742-E750 WeakPolarHBondContact CA-OE1 3.23Å; Q742-E750 HydrophobicContact CB-CG 4.08Å; Q742-E750 VanDerWaalsContact CG-CD 3.43Å; Q742-E750 HydrophobicContact CG-CG 4.02Å; Q742-E750 WeakPolarHBondContact CG-OE2 3.45Å; Q742-E750 VanDerWaalsContact NE2-CD 3.33Å; Q742-E750 PolarHBondContact NE2-OE2 3.36Å
743	R	90.8	Very high	83	Confident	87 Å²	87	59.8 Å²	59.8	33%	0.328	31%	0.308	S	S	.	.			trans	-126.3	-169.7	177.6	-75.8	177	60.6	-151.2	-3.1	111	P741 D745 D746	P741-R743 PolarHBondContact O-N 3.39Å; R743-D745 IonicContact CZ-OD1 3.19Å; R743-D745 VanDerWaalsContact CZ-OD1 3.25Å; R743-D745 IonicContact CZ-OD2 2.65Å; R743-D745 IonicContact NE-OD1 2.85Å; R743-D745 PolarHBondContact NE-OD1 3.06Å; R743-D745 PolarHBondContact NH2-O 3.4Å; R743-D745 IonicContact NH2-OD1 3.04Å; R743-D745 PolarHBondContact NH2-OD1 2.82Å; R743-D745 IonicContact NH2-OD2 2.73Å; R743-D745 PolarHBondContact NH2-OD2 2.79Å; R743-D746 HydrophobicContact CB-CB 4.31Å
744	H	94.1	Very high	84.3	Confident	22 Å²	22	59.1 Å²	59.1	10%	0.102	30%	0.304	C	S	.	.	S	Bend	trans	-143.2	16.5	179.3	59.7	-82.2	0	0	0	111.3	Q605 L606 D607 N719 I720	Q605-H744 PolarHBondContact O-CD2 3.35Å; L606-H744 CarbonylContact C-O 3.53Å; L606-H744 VanDerWaalsContact CA-O 3.25Å; L606-H744 WeakPolarHBondContact CA-O 3.46Å; L606-H744 HydrophobicContact CD1-CB 4.12Å; D607-H744 PolarHBondContact N-O 3.17Å; N719-H744 WeakPolarHBondContact O-CA 3.35Å; N719-H744 WeakPolarHBondContact O-CB 3.4Å; I720-H744 HydrophobicContact CG2-CB 4.14Å
745	D	94.9	Very high	85.9	Confident	51 Å²	51	57.6 Å²	57.6	27%	0.273	28%	0.28	S	S	.	.	S	Bend	trans	-154	25.8	-167.7	73.4	-44.7	0	0	0	112.6	Q605 D607 R743	Q605-D745 HydrophobicContact CB-CB 4.34Å; D607-D745 WeakPolarHBondContact OD2-CA 3.29Å; D607-D745 PolarHBondContact OD2-N 2.93Å; R743-D745 IonicContact CZ-OD1 3.19Å; R743-D745 VanDerWaalsContact CZ-OD1 3.25Å; R743-D745 IonicContact CZ-OD2 2.65Å; R743-D745 IonicContact NE-OD1 2.85Å; R743-D745 PolarHBondContact NE-OD1 3.06Å; R743-D745 PolarHBondContact NH2-O 3.4Å; R743-D745 IonicContact NH2-OD1 3.04Å; R743-D745 PolarHBondContact NH2-OD1 2.82Å; R743-D745 IonicContact NH2-OD2 2.73Å; R743-D745 PolarHBondContact NH2-OD2 2.79Å
746	D	94.7	Very high	87.4	Confident	40 Å²	40	51 Å²	51	21%	0.214	25%	0.25	C	C	.	.	S	Bend	trans	-121.6	-8.2	-177.3	67.8	-5.4	0	0	0	114.7	D607 R743 Y748	D607-D746 PolarHBondContact OD2-N 3.05Å; R743-D746 HydrophobicContact CB-CB 4.31Å; D746-Y748 HydrophobicContact CB-CD2 4.4Å; D746-Y748 PolarHBondContact OD1-N 3.45Å
747	G	95.4	Very high	88.9	Confident	7 Å²	7	51.8 Å²	51.8	7%	0.072	26%	0.261	C	S	.	.	S	Bend	trans	79.7	24.2	-178.9	0	0	0	0	0	115.6	D607 W609 R775	D607-G747 PolarHBondContact OD2-N 3.37Å; W609-G747 WeakPolarHBondContact CH2-O 3.48Å; G747-R775 WeakPolarHBondContact O-CG 3.43Å
748	Y	95.8	Very high	90.2	Very high	76 Å²	76	43 Å²	43	30%	0.298	22%	0.222	S	C	.	.			trans	-115.1	161	174.1	-71.8	-87.8	0	0	0	113.5	W609 D746 Q773 C774 R775	W609-Y748 VanDerWaalsContact CZ2-O 3.3Å; W609-Y748 WeakPolarHBondContact CZ2-O 3.43Å; D746-Y748 HydrophobicContact CB-CD2 4.4Å; D746-Y748 PolarHBondContact OD1-N 3.45Å; Y748-Q773 HydrophobicContact CD1-CB 4.35Å; Y748-C774 CarbonylContact C-O 3.48Å; Y748-C774 WeakPolarHBondContact CA-O 3.46Å; Y748-R775 HydrophobicContact CD1-CG 3.78Å; Y748-R775 HydrophobicContact CE1-CG 3.74Å; Y748-R775 HydrophobicContact CG-CG 4.44Å; Y748-R775 VanDerWaalsContact CZ-NE 3.3Å; Y748-R775 PolarHBondContact OH-NE 2.84Å; Y748-R775 PolarHBondContact OH-NH2 2.95Å
749	L	96.1	Very high	90.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130.3	165.2	-71.9	174.2	0	0	0	109.9	W609 F637 L718 N719 Q773 C774 V777 I803	W609-L749 HydrophobicContact CD2-CD1 3.8Å; W609-L749 HydrophobicContact CD2-CD2 3.71Å; W609-L749 HydrophobicContact CD2-CG 3.69Å; W609-L749 HydrophobicContact CE3-CD1 3.57Å; W609-L749 HydrophobicContact CE3-CD2 4.32Å; W609-L749 HydrophobicContact CE3-CG 3.79Å; W609-L749 HydrophobicContact CG-CD1 4.37Å; W609-L749 HydrophobicContact CG-CD2 3.92Å; W609-L749 HydrophobicContact CG-CG 4.37Å; W609-L749 HydrophobicContact CH2-CD1 4.36Å; W609-L749 HydrophobicContact CH2-CG 3.82Å; W609-L749 HydrophobicContact CZ2-CD2 4.04Å; W609-L749 HydrophobicContact CZ2-CG 3.72Å; W609-L749 HydrophobicContact CZ3-CD1 3.86Å; W609-L749 HydrophobicContact CZ3-CG 3.84Å; F637-L749 HydrophobicContact CE2-CD2 3.83Å; F637-L749 HydrophobicContact CZ-CD1 4.01Å; F637-L749 HydrophobicContact CZ-CD2 3.64Å; L718-L749 WeakPolarHBondContact O-CA 3.41Å; L718-L749 WeakPolarHBondContact O-CD2 3.44Å; N719-L749 HydrophobicContact CB-CD2 3.99Å; L749-Q773 WeakPolarHBondContact O-CA 3.36Å; L749-C774 PolarHBondContact N-O 3.24Å; L749-C774 PolarHBondContact O-N 3.34Å; L749-V777 HydrophobicContact CD1-CG2 4.46Å; L749-I803 HydrophobicContact CD1-CG2 3.72Å
750	E	96	Very high	90.4	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	126.5	164.7	-72.5	68.9	-152.4	0	0	110.2	F717 L718 W730 Q742 Q773	F717-E750 WeakPolarHBondContact CA-O 3.23Å; L718-E750 HydrophobicContact CB-CB 4.31Å; L718-E750 PolarHBondContact N-O 3.09Å; L718-E750 PolarHBondContact O-N 2.88Å; L718-E750 VanDerWaalsContact O-N 3.16Å; W730-E750 HydrophobicContact CD2-CB 4.03Å; W730-E750 HydrophobicContact CD2-CG 3.44Å; W730-E750 VanDerWaalsContact CD2-CG 3.44Å; W730-E750 HydrophobicContact CE3-CB 3.61Å; W730-E750 HydrophobicContact CE3-CG 3.56Å; W730-E750 HydrophobicContact CG-CG 3.97Å; W730-E750 HydrophobicContact CH2-CB 4.3Å; W730-E750 HydrophobicContact CH2-CG 4.02Å; W730-E750 HydrophobicContact CZ2-CG 3.9Å; W730-E750 HydrophobicContact CZ3-CB 3.76Å; W730-E750 HydrophobicContact CZ3-CG 3.85Å; Q742-E750 WeakPolarHBondContact CA-OE1 3.23Å; Q742-E750 HydrophobicContact CB-CG 4.08Å; Q742-E750 VanDerWaalsContact CG-CD 3.43Å; Q742-E750 HydrophobicContact CG-CG 4.02Å; Q742-E750 WeakPolarHBondContact CG-OE2 3.45Å; Q742-E750 VanDerWaalsContact NE2-CD 3.33Å; Q742-E750 PolarHBondContact NE2-OE2 3.36Å; E750-Q773 HydrophobicContact CG-CG 3.9Å; E750-Q773 PolarHBondContact OE1-NE2 2.98Å
751	V	96.2	Very high	90.3	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.3	176.2	-168	0	0	0	0	108.8	V715 F717 L771 T772 C774	V715-V751 HydrophobicContact CG1-CG1 4.27Å; F717-V751 HydrophobicContact CD1-CB 4.36Å; F717-V751 HydrophobicContact CD1-CG1 3.91Å; F717-V751 HydrophobicContact CD1-CG2 3.77Å; F717-V751 HydrophobicContact CE1-CB 4.38Å; F717-V751 HydrophobicContact CE1-CG1 3.56Å; F717-V751 HydrophobicContact CE1-CG2 3.93Å; F717-V751 HydrophobicContact CZ-CG1 4.21Å; V751-L771 HydrophobicContact CB-CB 4.26Å; V751-L771 HydrophobicContact CG1-CB 4.19Å; V751-L771 HydrophobicContact CG1-CD1 4.19Å; V751-L771 WeakPolarHBondContact O-CA 3.37Å; V751-L771 VanDerWaalsContact O-CB 3.3Å; V751-L771 WeakPolarHBondContact O-CB 3.42Å; V751-L771 PolarHBondContact O-N 3.4Å; V751-T772 HydrophobicContact CB-CG2 4Å; V751-T772 HydrophobicContact CG2-CG2 3.66Å; V751-T772 PolarHBondContact N-O 3.33Å; V751-T772 PolarHBondContact O-N 2.82Å; V751-C774 VanDerWaalsContact CG2-SG 3.54Å
752	I	95.1	Very high	90.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	134	-173.4	-54.2	-172.9	0	0	0	110.6	V715 V716 L718 P729 W730 F754 E769	V715-I752 WeakPolarHBondContact CA-O 3.18Å; V716-I752 PolarHBondContact N-O 3.24Å; V716-I752 PolarHBondContact O-N 3.32Å; L718-I752 HydrophobicContact CD1-CD1 3.33Å; L718-I752 HydrophobicContact CD1-CG1 3.93Å; P729-I752 HydrophobicContact CB-CD1 3.88Å; P729-I752 HydrophobicContact CG-CD1 4.2Å; W730-I752 HydrophobicContact CB-CD1 4.24Å; W730-I752 HydrophobicContact CE3-CD1 3.73Å; W730-I752 HydrophobicContact CE3-CG1 3.73Å; W730-I752 HydrophobicContact CZ3-CG1 4.04Å; I752-F754 HydrophobicContact CB-CE2 4.2Å; I752-F754 HydrophobicContact CG2-CD2 4.16Å; I752-F754 HydrophobicContact CG2-CE1 4.31Å; I752-F754 HydrophobicContact CG2-CE2 3.61Å; I752-F754 HydrophobicContact CG2-CZ 3.69Å; I752-E769 WeakPolarHBondContact CA-O 3.35Å
753	G	94.2	Very high	89.5	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	138.8	167.6	0	0	0	0	0	111.1	E769	G753-E769 PolarHBondContact N-O 3.1Å; G753-E769 WeakPolarHBondContact O-CB 3.43Å; G753-E769 PolarHBondContact O-N 3.06Å
754	F	91.8	Very high	88.8	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.4	174.1	-75.5	-75.4	0	0	0	112	P712 Q713 C714 V716 Y723 P729 I752 S758 L759 L762 G768	P712-F754 CarbonylContact C-O 3.45Å; P712-F754 VanDerWaalsContact CA-O 3.3Å; P712-F754 WeakPolarHBondContact CA-O 3.47Å; P712-F754 WeakPolarHBondContact CB-O 3.33Å; Q713-F754 PolarHBondContact N-O 2.91Å; C714-F754 HydrophobicContact CB-CB 4.27Å; C714-F754 PolarHBondContact N-O 2.95Å; C714-F754 PolarHBondContact O-N 3.33Å; V716-F754 HydrophobicContact CB-CE2 4.3Å; V716-F754 HydrophobicContact CG2-CD2 3.71Å; V716-F754 HydrophobicContact CG2-CE2 3.64Å; Y723-F754 HydrophobicContact CE1-CE2 4.5Å; P729-F754 HydrophobicContact CB-CZ 3.74Å; I752-F754 HydrophobicContact CB-CE2 4.2Å; I752-F754 HydrophobicContact CG2-CD2 4.16Å; I752-F754 HydrophobicContact CG2-CE1 4.31Å; I752-F754 HydrophobicContact CG2-CE2 3.61Å; I752-F754 HydrophobicContact CG2-CZ 3.69Å; F754-S758 WeakPolarHBondContact CA-OG 3.1Å; F754-S758 WeakPolarHBondContact CD1-OG 3.49Å; F754-L759 HydrophobicContact CB-CB 4.33Å; F754-L759 HydrophobicContact CB-CD1 4.28Å; F754-L759 HydrophobicContact CD1-CB 4.25Å; F754-L762 HydrophobicContact CD1-CD1 4.3Å; F754-L762 HydrophobicContact CE1-CD1 3.65Å; F754-L762 HydrophobicContact CE1-CD2 3.76Å; F754-L762 HydrophobicContact CE1-CG 3.8Å; F754-L762 HydrophobicContact CZ-CD1 3.95Å; F754-L762 HydrophobicContact CZ-CD2 4.06Å; F754-L762 HydrophobicContact CZ-CG 4.38Å; F754-G768 VanDerWaalsContact CE1-CA 3.45Å
755	T	89.1	Confident	87.9	Confident	39 Å²	39	40.1 Å²	40.1	24%	0.239	25%	0.247	C	C	.	.			trans	-80.6	155.2	155.4	65.5	0	0	0	0	109.9	Q713 T757 S758 L759	Q713-T755 VanDerWaalsContact OE1-CA 3.23Å; T755-T757 PolarHBondContact O-N 3.08Å; T755-S758 PolarHBondContact N-OG 2.89Å; T755-S758 PolarHBondContact O-N 3.17Å; T755-S758 PolarHBondContact O-OG 3.32Å; T755-S758 PolarHBondContact OG1-N 3.28Å; T755-S758 PolarHBondContact OG1-OG 3.26Å; T755-S758 VanDerWaalsContact OG1-OG 3.11Å; T755-L759 PolarHBondContact O-N 3.46Å
756	M	81.1	Confident	87.3	Confident	35 Å²	35	38.9 Å²	38.9	17%	0.172	25%	0.246	C	C	.	.	H	α-helix	trans	-51.2	-40.1	174.5	-72.7	-66.4	95	0	0	112.9	F645 F682 Q713 L759 A760	F645-M756 HydrophobicContact CB-CE 3.96Å; F645-M756 HydrophobicContact CD1-CE 3.6Å; F645-M756 HydrophobicContact CD1-SD 4.49Å; F645-M756 HydrophobicContact CD2-CE 3.78Å; F645-M756 HydrophobicContact CD2-SD 4.17Å; F645-M756 HydrophobicContact CE1-CE 3.97Å; F645-M756 HydrophobicContact CE1-SD 4.32Å; F645-M756 HydrophobicContact CE2-CE 4.13Å; F645-M756 HydrophobicContact CE2-SD 3.97Å; F645-M756 HydrophobicContact CG-CE 3.49Å; F645-M756 VanDerWaalsContact CG-CE 3.49Å; F645-M756 HydrophobicContact CG-SD 4.42Å; F645-M756 HydrophobicContact CZ-CE 4.22Å; F645-M756 HydrophobicContact CZ-SD 4.06Å; F682-M756 HydrophobicContact CD2-CB 4.35Å; F682-M756 HydrophobicContact CD2-CG 4.49Å; F682-M756 HydrophobicContact CD2-SD 3.86Å; F682-M756 HydrophobicContact CE2-CB 4.03Å; F682-M756 HydrophobicContact CE2-SD 4.49Å; Q713-M756 HydrophobicContact CB-CE 3.83Å; Q713-M756 HydrophobicContact CG-CE 4.42Å; Q713-M756 HydrophobicContact CG-CG 4.39Å; M756-L759 HydrophobicContact CE-CD1 4.33Å; M756-L759 PolarHBondContact O-N 3.42Å; M756-A760 WeakPolarHBondContact O-CB 3.36Å; M756-A760 PolarHBondContact O-N 2.82Å
757	T	83.3	Confident	87	Confident	115 Å²	115	40.5 Å²	40.5	71%	0.706	25%	0.252	S	S	*	.	H	α-helix	trans	-62.3	-48.4	175.5	-41.8	0	0	0	0	111.8	T755 L759 A760 A761	T755-T757 PolarHBondContact O-N 3.08Å; T757-L759 VanDerWaalsContact C-N 3.35Å; T757-L759 PolarHBondContact O-N 2.81Å; T757-A760 PolarHBondContact O-N 2.93Å; T757-A761 WeakPolarHBondContact O-CB 3.45Å; T757-A761 PolarHBondContact O-N 3.46Å
758	S	86.4	Confident	86.7	Confident	12 Å²	12	40.2 Å²	40.2	8%	0.084	25%	0.249	C	C	.	.	H	α-helix	trans	-66	-34.9	177.9	64.2	0	0	0	0	113	F754 T755 A761 L762	F754-S758 WeakPolarHBondContact CA-OG 3.1Å; F754-S758 WeakPolarHBondContact CD1-OG 3.49Å; T755-S758 PolarHBondContact N-OG 2.89Å; T755-S758 PolarHBondContact O-N 3.17Å; T755-S758 PolarHBondContact O-OG 3.32Å; T755-S758 PolarHBondContact OG1-N 3.28Å; T755-S758 PolarHBondContact OG1-OG 3.26Å; T755-S758 VanDerWaalsContact OG1-OG 3.11Å; S758-A761 PolarHBondContact O-N 2.86Å; S758-L762 PolarHBondContact O-N 3.48Å; S758-L762 VanDerWaalsContact O-N 3.15Å
759	L	83.9	Confident	86.5	Confident	38 Å²	38	40.4 Å²	40.4	20%	0.199	25%	0.253	C	S	.	.	H	α-helix	trans	-69.9	-37.8	178.6	-168	147.8	0	0	0	111.7	F645 F754 T755 M756 T757 L762	F645-L759 HydrophobicContact CD1-CD1 4.01Å; F645-L759 HydrophobicContact CE1-CD2 4.31Å; F754-L759 HydrophobicContact CB-CB 4.33Å; F754-L759 HydrophobicContact CB-CD1 4.28Å; F754-L759 HydrophobicContact CD1-CB 4.25Å; T755-L759 PolarHBondContact O-N 3.46Å; M756-L759 HydrophobicContact CE-CD1 4.33Å; M756-L759 PolarHBondContact O-N 3.42Å; T757-L759 VanDerWaalsContact C-N 3.35Å; T757-L759 PolarHBondContact O-N 2.81Å; L759-L762 WeakPolarHBondContact O-CB 3.44Å
760	A	79.6	Confident	86.4	Confident	58 Å²	58	41.9 Å²	41.9	48%	0.479	26%	0.258	S	S	.	.	H	α-helix	trans	-66	-41.9	169.7	0	0	0	0	0	111.8	M756 T757 L762	M756-A760 WeakPolarHBondContact O-CB 3.36Å; M756-A760 PolarHBondContact O-N 2.82Å; T757-A760 PolarHBondContact O-N 2.93Å; A760-L762 VanDerWaalsContact C-N 3.25Å; A760-L762 PolarHBondContact O-N 3.28Å
761	A	82.8	Confident	86.3	Confident	31 Å²	31	42.2 Å²	42.2	26%	0.256	26%	0.26	S	S	.	.	H	α-helix	trans	-65	-22.1	-179.3	0	0	0	0	0	114.3	T757 S758 Q763 V764 G765 G766	T757-A761 WeakPolarHBondContact O-CB 3.45Å; T757-A761 PolarHBondContact O-N 3.46Å; S758-A761 PolarHBondContact O-N 2.86Å; A761-Q763 PolarHBondContact O-N 2.9Å; A761-Q763 VanDerWaalsContact O-N 3.1Å; A761-V764 VanDerWaalsContact O-CG2 3.23Å; A761-V764 WeakPolarHBondContact O-CG2 3.44Å; A761-V764 PolarHBondContact O-N 3.24Å; A761-G765 PolarHBondContact O-N 3.34Å; A761-G766 WeakPolarHBondContact O-CA 3.1Å; A761-G766 PolarHBondContact O-N 3.48Å
762	L	82.2	Confident	86.2	Confident	6 Å²	6	43.8 Å²	43.8	3%	0.031	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-50.8	-35	178.1	-79.5	175.2	0	0	0	114	Y723 T727 P729 F754 S758 L759 A760 V764	Y723-L762 HydrophobicContact CD1-CD1 4.14Å; Y723-L762 HydrophobicContact CE1-CD1 3.97Å; T727-L762 HydrophobicContact CG2-CB 4.24Å; T727-L762 WeakPolarHBondContact CG2-O 3.32Å; P729-L762 HydrophobicContact CB-CD2 3.93Å; F754-L762 HydrophobicContact CD1-CD1 4.3Å; F754-L762 HydrophobicContact CE1-CD1 3.65Å; F754-L762 HydrophobicContact CE1-CD2 3.76Å; F754-L762 HydrophobicContact CE1-CG 3.8Å; F754-L762 HydrophobicContact CZ-CD1 3.95Å; F754-L762 HydrophobicContact CZ-CD2 4.06Å; F754-L762 HydrophobicContact CZ-CG 4.38Å; S758-L762 PolarHBondContact O-N 3.48Å; S758-L762 VanDerWaalsContact O-N 3.15Å; L759-L762 WeakPolarHBondContact O-CB 3.44Å; A760-L762 VanDerWaalsContact C-N 3.25Å; A760-L762 PolarHBondContact O-N 3.28Å; L762-V764 VanDerWaalsContact C-N 3.33Å
763	Q	76.2	Confident	86.2	Confident	130 Å²	130	45.2 Å²	45.2	61%	0.607	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-77.5	-19.3	-177.3	-60.1	-60.8	-35	0	0	113.1	A761	A761-Q763 PolarHBondContact O-N 2.9Å; A761-Q763 VanDerWaalsContact O-N 3.1Å
764	V	75.9	Confident	86.2	Confident	131 Å²	131	45.2 Å²	45.2	79%	0.794	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-105.1	22.6	176.2	-62.2	0	0	0	0	112.4	A761 L762	A761-V764 VanDerWaalsContact O-CG2 3.23Å; A761-V764 WeakPolarHBondContact O-CG2 3.44Å; A761-V764 PolarHBondContact O-N 3.24Å; L762-V764 VanDerWaalsContact C-N 3.33Å
765	G	74.9	Confident	86.5	Confident	73 Å²	73	51.6 Å²	51.6	75%	0.753	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	4.6	177.1	0	0	0	0	0	115.6	A761	A761-G765 PolarHBondContact O-N 3.34Å
766	G	82.8	Confident	86.9	Confident	24 Å²	24	53.2 Å²	53.2	25%	0.247	31%	0.305	C	S	.	.			trans	-67.5	162.3	173.8	0	0	0	0	0	113.6	A761	A761-G766 WeakPolarHBondContact O-CA 3.1Å; A761-G766 PolarHBondContact O-N 3.48Å
767	H	88.7	Confident	87.7	Confident	74 Å²	74	51.6 Å²	51.6	34%	0.343	30%	0.297	S	S	.	.			trans	-116.9	161.4	178.8	64.6	34.1	0	0	0	112.1	P729 R770	P729-H767 WeakPolarHBondContact O-CB 3.4Å; H767-R770 PolarHBondContact NE2-NH2 3.02Å
768	G	89.7	Confident	88.3	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.01	27%	0.27	C	S	.	.			trans	-83.6	175.5	169.7	0	0	0	0	0	113.2	P729 F754 R770	P729-G768 PolarHBondContact O-N 2.92Å; F754-G768 VanDerWaalsContact CE1-CA 3.45Å; G768-R770 PolarHBondContact O-N 2.72Å
769	E	91.5	Very high	88.8	Confident	80 Å²	80	46.6 Å²	46.6	37%	0.374	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	117.1	176.6	-70.5	-58.2	152.3	0	0	111.1	L710 I752 G753 L771	L710-E769 HydrophobicContact CD1-CB 4.33Å; I752-E769 WeakPolarHBondContact CA-O 3.35Å; G753-E769 PolarHBondContact N-O 3.1Å; G753-E769 WeakPolarHBondContact O-CB 3.43Å; G753-E769 PolarHBondContact O-N 3.06Å; E769-L771 PolarHBondContact O-N 3.13Å; E769-L771 VanDerWaalsContact O-N 3.16Å
770	R	92.9	Very high	89.4	Confident	31 Å²	31	45.8 Å²	45.8	12%	0.117	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	104.1	-177.9	-68.1	174.2	-98	159.1	-6	109.7	K706 W730 F739 H767 G768	K706-R770 PolarHBondContact NZ-O 2.77Å; W730-R770 HydrophobicContact CD2-CG 4.13Å; W730-R770 HydrophobicContact CE3-CB 4.36Å; W730-R770 HydrophobicContact CE3-CG 3.7Å; W730-R770 HydrophobicContact CH2-CB 4.07Å; W730-R770 HydrophobicContact CH2-CG 4.16Å; W730-R770 HydrophobicContact CZ3-CB 3.86Å; W730-R770 HydrophobicContact CZ3-CG 3.73Å; F739-R770 HydrophobicContact CD2-CB 4.02Å; F739-R770 HydrophobicContact CE2-CB 3.65Å; F739-R770 HydrophobicContact CZ-CB 4.17Å; H767-R770 PolarHBondContact NE2-NH2 3.02Å; G768-R770 PolarHBondContact O-N 2.72Å
771	L	93.3	Very high	90.1	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.037	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-57.1	-176.1	-58.7	-176.2	0	0	0	111.4	K706 I707 L710 V751 E769	K706-L771 HydrophobicContact CD-CD2 4.22Å; K706-L771 HydrophobicContact CG-CD2 4.29Å; K706-L771 PolarHBondContact NZ-O 3.25Å; I707-L771 HydrophobicContact CD1-CD1 4.25Å; I707-L771 HydrophobicContact CG1-CD1 3.97Å; L710-L771 HydrophobicContact CD1-CD2 3.7Å; V751-L771 HydrophobicContact CB-CB 4.26Å; V751-L771 HydrophobicContact CG1-CB 4.19Å; V751-L771 HydrophobicContact CG1-CD1 4.19Å; V751-L771 WeakPolarHBondContact O-CA 3.37Å; V751-L771 VanDerWaalsContact O-CB 3.3Å; V751-L771 WeakPolarHBondContact O-CB 3.42Å; V751-L771 PolarHBondContact O-N 3.4Å; E769-L771 PolarHBondContact O-N 3.13Å; E769-L771 VanDerWaalsContact O-N 3.16Å
772	T	94.7	Very high	90.5	Very high	34 Å²	34	43.9 Å²	43.9	21%	0.209	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	165.6	172.6	-161.1	0	0	0	0	111.3	C698 L703 V751 C774	C698-T772 HydrophobicContact CB-CG2 3.75Å; L703-T772 HydrophobicContact CD1-CG2 3.66Å; V751-T772 HydrophobicContact CB-CG2 4Å; V751-T772 HydrophobicContact CG2-CG2 3.66Å; V751-T772 PolarHBondContact N-O 3.33Å; V751-T772 PolarHBondContact O-N 2.82Å; T772-C774 HydrophobicContact CG2-CB 3.93Å
773	Q	94.9	Very high	90.9	Very high	29 Å²	29	47.1 Å²	47.1	14%	0.136	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	143.7	147.7	-81.4	158.9	-47	0	0	108.6	W730 E740 Y748 L749 E750	W730-Q773 HydrophobicContact CH2-CG 3.84Å; W730-Q773 VanDerWaalsContact CZ2-CD 3.47Å; W730-Q773 HydrophobicContact CZ2-CG 3.6Å; E740-Q773 PolarHBondContact O-NE2 2.8Å; Y748-Q773 HydrophobicContact CD1-CB 4.35Å; L749-Q773 WeakPolarHBondContact O-CA 3.36Å; E750-Q773 HydrophobicContact CG-CG 3.9Å; E750-Q773 PolarHBondContact OE1-NE2 2.98Å
774	C	95.8	Very high	91.6	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.007	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	170.3	-177.4	60.6	0	0	0	0	114.1	C698 D699 Y748 L749 V751 T772	C698-C774 HydrophobicContact CB-CB 3.77Å; D699-C774 VanDerWaalsContact OD2-CA 3.22Å; D699-C774 WeakPolarHBondContact OD2-CA 3.27Å; D699-C774 WeakPolarHBondContact OD2-CB 3.31Å; Y748-C774 CarbonylContact C-O 3.48Å; Y748-C774 WeakPolarHBondContact CA-O 3.46Å; L749-C774 PolarHBondContact N-O 3.24Å; L749-C774 PolarHBondContact O-N 3.34Å; V751-C774 VanDerWaalsContact CG2-SG 3.54Å; T772-C774 HydrophobicContact CG2-CB 3.93Å
775	R	96.3	Very high	92.4	Very high	135 Å²	135	35.9 Å²	35.9	51%	0.509	20%	0.199	S	C	.	.	S	Bend	trans	-117	-15.4	-179.6	-55.3	-167.8	177.4	173.2	1.1	115.4	W609 D699 G747 Y748	W609-R775 WeakPolarHBondContact CZ3-O 3.11Å; D699-R775 VanDerWaalsContact CG-N 3.28Å; D699-R775 WeakPolarHBondContact OD1-CA 3.49Å; D699-R775 PolarHBondContact OD1-N 3.3Å; D699-R775 PolarHBondContact OD2-N 3.1Å; G747-R775 WeakPolarHBondContact O-CG 3.43Å; Y748-R775 HydrophobicContact CD1-CG 3.78Å; Y748-R775 HydrophobicContact CE1-CG 3.74Å; Y748-R775 HydrophobicContact CG-CG 4.44Å; Y748-R775 VanDerWaalsContact CZ-NE 3.3Å; Y748-R775 PolarHBondContact OH-NE 2.84Å; Y748-R775 PolarHBondContact OH-NH2 2.95Å
776	E	97.3	Very high	93.3	Very high	73 Å²	73	33.8 Å²	33.8	34%	0.341	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	133.1	173.5	-176	176.8	133.1	0	0	109.7	C698 D699 R802 I803	C698-E776 CarbonylContact C-O 3.48Å; C698-E776 WeakPolarHBondContact CA-O 3.16Å; D699-E776 PolarHBondContact N-O 3.43Å; D699-E776 PolarHBondContact OD1-N 3.19Å; E776-R802 VanDerWaalsContact CD-CZ 3.49Å; E776-R802 IonicContact OE1-CZ 2.76Å; E776-R802 IonicContact OE1-NH1 3.69Å; E776-R802 PolarHBondContact OE1-NH1 2.7Å; E776-R802 IonicContact OE1-NH2 3.86Å; E776-R802 PolarHBondContact OE1-NH2 2.8Å; E776-R802 IonicContact OE2-CZ 3.88Å; E776-R802 IonicContact OE2-NH1 3.98Å; E776-R802 IonicContact OE2-NH2 3.52Å; E776-R802 PolarHBondContact OE2-NH2 3.41Å; E776-I803 WeakPolarHBondContact CA-O 3.38Å
777	V	98.3	Very high	93.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.4	174	-176.8	0	0	0	0	109.6	V696 V697 F717 L749 L779 R802 I803	V696-V777 HydrophobicContact CG1-CG1 4.26Å; V697-V777 CarbonylContact O-C 3.56Å; V697-V777 WeakPolarHBondContact O-CA 3.12Å; F717-V777 HydrophobicContact CD1-CG1 4.33Å; F717-V777 HydrophobicContact CD1-CG2 3.89Å; F717-V777 HydrophobicContact CE1-CB 4.28Å; F717-V777 HydrophobicContact CE1-CG1 3.56Å; F717-V777 HydrophobicContact CE1-CG2 3.82Å; F717-V777 HydrophobicContact CZ-CG1 3.95Å; L749-V777 HydrophobicContact CD1-CG2 4.46Å; V777-L779 HydrophobicContact CG1-CB 4.4Å; V777-R802 WeakPolarHBondContact O-CA 3.35Å; V777-I803 HydrophobicContact CB-CB 3.95Å; V777-I803 HydrophobicContact CB-CD1 4.07Å; V777-I803 HydrophobicContact CB-CG1 4Å; V777-I803 HydrophobicContact CG1-CD1 4.28Å; V777-I803 HydrophobicContact CG1-CG1 4.48Å; V777-I803 HydrophobicContact CG2-CB 4.42Å; V777-I803 HydrophobicContact CG2-CD1 4.43Å; V777-I803 PolarHBondContact N-O 2.92Å; V777-I803 PolarHBondContact O-N 3.33Å
778	V	97.6	Very high	94.1	Very high	23 Å²	23	29.2 Å²	29.2	14%	0.139	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	108.7	162.1	-178.5	0	0	0	0	108.1	V697 R800	V697-V778 HydrophobicContact CB-CB 4.47Å; V697-V778 PolarHBondContact N-O 2.78Å; V697-V778 PolarHBondContact O-N 3.16Å; V778-R800 HydrophobicContact CG1-CG 4.14Å
779	L	96.8	Very high	94.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124.7	176.4	161.2	65.6	0	0	0	108.4	F641 L643 I694 R695 V696 F717 V777 T781 R800 I801	F641-L779 HydrophobicContact CE1-CD2 3.83Å; F641-L779 HydrophobicContact CZ-CD2 4.31Å; L643-L779 HydrophobicContact CD1-CD1 4.09Å; L643-L779 HydrophobicContact CD1-CD2 4.01Å; L643-L779 HydrophobicContact CD2-CD2 3.87Å; I694-L779 HydrophobicContact CB-CD1 4.08Å; I694-L779 HydrophobicContact CG2-CD1 4.42Å; R695-L779 CarbonylContact O-C 3.58Å; R695-L779 WeakPolarHBondContact O-CA 3.24Å; V696-L779 HydrophobicContact CG2-CD1 3.91Å; F717-L779 HydrophobicContact CE2-CD2 4.37Å; V777-L779 HydrophobicContact CG1-CB 4.4Å; L779-T781 HydrophobicContact CD1-CG2 4.36Å; L779-R800 CarbonylContact O-C 3.56Å; L779-R800 WeakPolarHBondContact O-CA 3.25Å; L779-I801 HydrophobicContact CB-CB 4.39Å; L779-I801 HydrophobicContact CD2-CD1 4.05Å; L779-I801 PolarHBondContact N-O 3.13Å; L779-I801 PolarHBondContact O-N 2.94Å
780	T	95.9	Very high	94.5	Very high	21 Å²	21	26 Å²	26	13%	0.129	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	130	171.8	-56.1	0	0	0	0	109.5	N616 I694 R695	N616-T780 WeakPolarHBondContact ND2-CG2 3.31Å; I694-T780 WeakPolarHBondContact CA-O 3.38Å; R695-T780 PolarHBondContact N-O 2.75Å; R695-T780 PolarHBondContact O-N 3.05Å
781	T	94.3	Very high	94.3	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.012	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	137	173.3	67.1	0	0	0	0	111.2	N616 H693 I694 L779 K783 I785 S799	N616-T781 PolarHBondContact ND2-O 3.45Å; H693-T781 CarbonylContact O-C 3.56Å; H693-T781 WeakPolarHBondContact O-CA 3.42Å; I694-T781 HydrophobicContact CG2-CG2 4.23Å; L779-T781 HydrophobicContact CD1-CG2 4.36Å; T781-K783 PolarHBondContact OG1-O 3.11Å; T781-I785 HydrophobicContact CG2-CD1 3.99Å; T781-S799 PolarHBondContact N-O 2.9Å; T781-S799 PolarHBondContact OG1-N 3.43Å; T781-S799 PolarHBondContact OG1-O 3.44Å
782	S	91.7	Very high	94.2	Very high	47 Å²	47	28.7 Å²	28.7	33%	0.329	15%	0.151	S	C	.	.	S	Bend	trans	-84.3	-17.2	179.7	88.9	0	0	0	0	113.5	H693	H693-S782 PolarHBondContact ND1-OG 3.46Å; H693-S782 VanDerWaalsContact ND1-OG 3.12Å; H693-S782 PolarHBondContact O-N 3.2Å
783	K	90.1	Very high	94.2	Very high	74 Å²	74	27.7 Å²	27.7	32%	0.322	15%	0.145	S	C	.	.	S	Bend	trans	-145.8	174.3	-176.4	72	179.6	-172.4	-170.7	0	111.1	H693 T781 I785	H693-K783 HydrophobicContact CB-CD 4.38Å; H693-K783 HydrophobicContact CB-CG 4.17Å; H693-K783 WeakPolarHBondContact CD2-CE 3.06Å; H693-K783 PolarHBondContact CD2-NZ 2.96Å; H693-K783 PolarHBondContact NE2-NZ 2.83Å; T781-K783 PolarHBondContact OG1-O 3.11Å; K783-I785 HydrophobicContact CG-CD1 4.48Å; K783-I785 HydrophobicContact CG-CG1 4.14Å; K783-I785 PolarHBondContact O-N 2.93Å
784	A	90.8	Very high	94.2	Very high	17 Å²	17	27 Å²	27	14%	0.14	14%	0.143	C	C	.	.			trans	-63.9	130.3	171.9	0	0	0	0	0	111.9	D625 A628 L796	D625-A784 HydrophobicContact CB-CB 4Å; A628-A784 HydrophobicContact CB-CB 3.92Å; A784-L796 CarbonylContact C-O 3.54Å; A784-L796 WeakPolarHBondContact CA-O 3.41Å
785	I	91.8	Very high	94	Very high	7 Å²	7	30.1 Å²	30.1	4%	0.036	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	137.4	-173.6	-71.9	177.5	0	0	0	109.9	L643 L690 H693 I694 T781 K783 V787 L796	L643-I785 HydrophobicContact CB-CG2 4.22Å; L643-I785 HydrophobicContact CD1-CG2 4.44Å; L690-I785 HydrophobicContact CD1-CD1 4.07Å; L690-I785 HydrophobicContact CD1-CG2 4.3Å; H693-I785 HydrophobicContact CB-CD1 4.23Å; I694-I785 HydrophobicContact CG2-CD1 3.77Å; T781-I785 HydrophobicContact CG2-CD1 3.99Å; K783-I785 HydrophobicContact CG-CD1 4.48Å; K783-I785 HydrophobicContact CG-CG1 4.14Å; K783-I785 PolarHBondContact O-N 2.93Å; I785-V787 HydrophobicContact CG2-CG1 4.39Å; I785-V787 PolarHBondContact O-N 3.2Å; I785-L796 PolarHBondContact N-O 3.22Å; I785-L796 PolarHBondContact O-N 3.07Å
786	P	93.5	Very high	93.9	Very high	29 Å²	29	23.7 Å²	23.7	19%	0.188	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	129.2	167.9	-22.4	34.4	0	0	0	111.9	L643 G644 A647 H648	L643-P786 WeakPolarHBondContact CA-O 3.37Å; G644-P786 PolarHBondContact N-O 2.92Å; G644-P786 VanDerWaalsContact N-O 3.11Å; A647-P786 HydrophobicContact CB-CB 4.2Å; A647-P786 WeakPolarHBondContact CB-O 3.24Å; H648-P786 HydrophobicContact CB-CB 4.16Å; H648-P786 HydrophobicContact CB-CG 4.13Å
787	V	95.5	Very high	93.7	Very high	1 Å²	1	21 Å²	21	1%	0.006	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	153.9	176.1	-53.8	0	0	0	0	110.3	L632 F641 S642 L643 A647 I785 P793 C794 L796	L632-V787 HydrophobicContact CD2-CG2 3.63Å; F641-V787 HydrophobicContact CE2-CB 3.91Å; F641-V787 HydrophobicContact CE2-CG2 4.34Å; F641-V787 HydrophobicContact CZ-CB 4.25Å; F641-V787 HydrophobicContact CZ-CG1 4.36Å; S642-V787 CarbonylContact O-C 3.58Å; S642-V787 VanDerWaalsContact O-CA 3.29Å; S642-V787 WeakPolarHBondContact O-CA 3.26Å; L643-V787 HydrophobicContact CB-CG1 3.87Å; A647-V787 VanDerWaalsContact CB-CA 3.5Å; I785-V787 HydrophobicContact CG2-CG1 4.39Å; I785-V787 PolarHBondContact O-N 3.2Å; V787-P793 CarbonylContact O-C 3.55Å; V787-P793 WeakPolarHBondContact O-CA 3.41Å; V787-C794 PolarHBondContact N-O 3.36Å; V787-C794 PolarHBondContact O-N 2.86Å; V787-C794 VanDerWaalsContact O-O 3.11Å; V787-L796 HydrophobicContact CG1-CB 4.28Å; V787-L796 HydrophobicContact CG2-CB 3.81Å; V787-L796 HydrophobicContact CG2-CD2 4.48Å
788	Q	94.7	Very high	93.5	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.009	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	146.4	173.9	65.9	95.2	-14.5	0	0	112.8	F641 S642 D646 A647 T650 E792 P793	F641-Q788 WeakPolarHBondContact CA-O 3.21Å; F641-Q788 VanDerWaalsContact CD2-O 3.28Å; F641-Q788 WeakPolarHBondContact CD2-O 3.35Å; S642-Q788 PolarHBondContact N-O 3.01Å; S642-Q788 PolarHBondContact O-N 2.81Å; S642-Q788 VanDerWaalsContact OG-CG 3.25Å; S642-Q788 WeakPolarHBondContact OG-CG 3.5Å; S642-Q788 PolarHBondContact OG-NE2 2.8Å; D646-Q788 PolarHBondContact OD2-NE2 2.91Å; A647-Q788 HydrophobicContact CB-CB 4.18Å; A647-Q788 HydrophobicContact CB-CG 3.89Å; T650-Q788 HydrophobicContact CG2-CB 4.15Å; T650-Q788 HydrophobicContact CG2-CG 4.36Å; Q788-E792 WeakPolarHBondContact CA-O 3.37Å; Q788-P793 HydrophobicContact CB-CB 4.01Å
789	V	95.4	Very high	93.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	113.8	-176.3	-165.1	0	0	0	0	108.7	L611 L632 P633 L634 F637 F641 G791 E792	L611-V789 HydrophobicContact CD1-CB 4.37Å; L611-V789 HydrophobicContact CD1-CG1 3.55Å; L611-V789 HydrophobicContact CD1-CG2 3.82Å; L632-V789 HydrophobicContact CD2-CG2 4.3Å; P633-V789 HydrophobicContact CG-CB 4.41Å; P633-V789 HydrophobicContact CG-CG2 4Å; L634-V789 HydrophobicContact CB-CB 4.21Å; L634-V789 HydrophobicContact CB-CG1 3.89Å; L634-V789 HydrophobicContact CD1-CB 4.24Å; L634-V789 HydrophobicContact CD1-CG1 4.11Å; F637-V789 HydrophobicContact CB-CG1 3.64Å; F641-V789 HydrophobicContact CD2-CG2 4Å; F641-V789 HydrophobicContact CE2-CG2 4.37Å; V789-G791 PolarHBondContact O-N 3.39Å; V789-E792 PolarHBondContact N-O 2.87Å; V789-E792 PolarHBondContact O-N 3.18Å
790	D	93.5	Very high	93.3	Very high	13 Å²	13	25.6 Å²	25.6	7%	0.07	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	27.3	-175.8	-71.2	-13.3	0	0	0	115	N638 N639 Y640	N638-D790 WeakPolarHBondContact CB-OD2 3.41Å; N638-D790 PolarHBondContact N-OD1 2.74Å; N638-D790 PolarHBondContact N-OD2 2.8Å; N638-D790 PolarHBondContact ND2-OD2 2.84Å; N639-D790 WeakPolarHBondContact CA-OD1 3.45Å; N639-D790 WeakPolarHBondContact CB-OD1 3.39Å; N639-D790 PolarHBondContact N-OD1 3.18Å; Y640-D790 PolarHBondContact N-OD1 3.22Å; Y640-D790 VanDerWaalsContact N-OD1 3.11Å; Y640-D790 PolarHBondContact O-N 3.08Å
791	G	89	Confident	93.4	Very high	26 Å²	26	24.6 Å²	24.6	27%	0.268	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	90	5.1	-177.1	0	0	0	0	0	116.1	V789	V789-G791 PolarHBondContact O-N 3.39Å
792	E	91.4	Very high	93.5	Very high	68 Å²	68	29.9 Å²	29.9	32%	0.318	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	115.6	167.8	-54.3	-62.9	169.7	0	0	109.2	P633 L634 H654 R657 Q788 V789	P633-E792 HydrophobicContact CB-CB 4.43Å; P633-E792 HydrophobicContact CG-CB 4.36Å; P633-E792 WeakPolarHBondContact CG-O 3.45Å; L634-E792 HydrophobicContact CD1-CG 4.41Å; H654-E792 IonicContact CD2-OE2 3.92Å; H654-E792 IonicContact NE2-OE2 2.71Å; R657-E792 IonicContact NH2-OE2 2.69Å; Q788-E792 WeakPolarHBondContact CA-O 3.37Å; V789-E792 PolarHBondContact N-O 2.87Å; V789-E792 PolarHBondContact O-N 3.18Å
793	P	93.9	Very high	93.8	Very high	14 Å²	14	27.6 Å²	27.6	9%	0.091	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	161.7	-172.3	37.5	-36.3	0	0	0	114.3	T650 L651 H654 V787 Q788	T650-P793 HydrophobicContact CG2-CB 3.89Å; T650-P793 HydrophobicContact CG2-CG 3.96Å; L651-P793 HydrophobicContact CB-CB 4.02Å; L651-P793 HydrophobicContact CB-CG 4.34Å; L651-P793 HydrophobicContact CD1-CB 4.1Å; L651-P793 HydrophobicContact CD1-CG 4.05Å; H654-P793 HydrophobicContact CB-CG 3.55Å; V787-P793 CarbonylContact O-C 3.55Å; V787-P793 WeakPolarHBondContact O-CA 3.41Å; Q788-P793 HydrophobicContact CB-CB 4.01Å
794	C	94	Very high	94.2	Very high	14 Å²	14	25.4 Å²	25.4	10%	0.095	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	160.4	159.1	73.3	0	0	0	0	112.5	T629 V787 L796	T629-C794 HydrophobicContact CG2-CB 3.77Å; V787-C794 PolarHBondContact N-O 3.36Å; V787-C794 PolarHBondContact O-N 2.86Å; V787-C794 VanDerWaalsContact O-O 3.11Å; C794-L796 PolarHBondContact O-N 2.91Å
795	K	93.3	Very high	94.5	Very high	66 Å²	66	28.3 Å²	28.3	29%	0.287	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	95.3	164.3	-169.2	179.3	-173.9	-175.5	0	109	D625 A628 T629 L651	D625-K795 WeakPolarHBondContact OD1-CE 3.41Å; D625-K795 IonicContact OD1-NZ 3.27Å; D625-K795 PolarHBondContact OD1-NZ 2.74Å; D625-K795 VanDerWaalsContact OD2-CE 3.28Å; D625-K795 WeakPolarHBondContact OD2-CE 3.45Å; D625-K795 IonicContact OD2-NZ 3.72Å; D625-K795 PolarHBondContact OD2-NZ 3.37Å; A628-K795 CarbonylContact C-O 3.45Å; A628-K795 WeakPolarHBondContact CA-O 3.44Å; T629-K795 VanDerWaalsContact CG2-O 3.3Å; T629-K795 WeakPolarHBondContact CG2-O 3.29Å; T629-K795 PolarHBondContact N-O 2.8Å; L651-K795 HydrophobicContact CD2-CB 4.1Å
796	L	93.6	Very high	94.6	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	139.9	-177.4	-166.5	78.1	0	0	0	110.3	T629 R631 L632 A784 I785 V787 C794 I801	T629-L796 WeakPolarHBondContact O-CA 3.26Å; T629-L796 WeakPolarHBondContact O-CD1 3.49Å; R631-L796 VanDerWaalsContact C-CD1 3.48Å; L632-L796 HydrophobicContact CD2-CD1 4.11Å; L632-L796 HydrophobicContact CD2-CD2 4.09Å; L632-L796 HydrophobicContact CG-CD1 4.17Å; A784-L796 CarbonylContact C-O 3.54Å; A784-L796 WeakPolarHBondContact CA-O 3.41Å; I785-L796 PolarHBondContact N-O 3.22Å; I785-L796 PolarHBondContact O-N 3.07Å; V787-L796 HydrophobicContact CG1-CB 4.28Å; V787-L796 HydrophobicContact CG2-CB 3.81Å; V787-L796 HydrophobicContact CG2-CD2 4.48Å; C794-L796 PolarHBondContact O-N 2.91Å; L796-I801 HydrophobicContact CD2-CD1 3.57Å; L796-I801 HydrophobicContact CD2-CG1 4.16Å
797	A	93.1	Very high	94.7	Very high	16 Å²	16	33 Å²	33	13%	0.132	16%	0.164	C	C	.	.			trans	-65.8	169.6	171.4	0	0	0	0	0	112	A628 T629 S799	A628-A797 HydrophobicContact CB-CB 4.09Å; T629-A797 PolarHBondContact O-N 3.26Å; A797-S799 WeakPolarHBondContact O-CB 3.48Å; A797-S799 PolarHBondContact O-N 3.18Å; A797-S799 PolarHBondContact O-OG 2.79Å
798	A	93.5	Very high	94.7	Very high	13 Å²	13	37.1 Å²	37.1	11%	0.107	18%	0.183	C	C	.	.	S	Bend	trans	-54.8	113.8	174.4	0	0	0	0	0	110.3	N616 A619	N616-A798 HydrophobicContact CB-CB 4.28Å; N616-A798 WeakPolarHBondContact CB-O 3.34Å; N616-A798 PolarHBondContact N-O 3.11Å; A619-A798 HydrophobicContact CB-CB 3.48Å; A619-A798 VanDerWaalsContact CB-CB 3.48Å
799	S	94.8	Very high	94.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	152.3	-163.8	-63	0	0	0	0	111.8	E614 T781 A797	E614-S799 CarbonylContact O-C 3.47Å; E614-S799 VanDerWaalsContact O-CA 3.32Å; E614-S799 WeakPolarHBondContact O-CA 3.19Å; T781-S799 PolarHBondContact N-O 2.9Å; T781-S799 PolarHBondContact OG1-N 3.43Å; T781-S799 PolarHBondContact OG1-O 3.44Å; A797-S799 WeakPolarHBondContact O-CB 3.48Å; A797-S799 PolarHBondContact O-N 3.18Å; A797-S799 PolarHBondContact O-OG 2.79Å
800	R	95.8	Very high	94.9	Very high	107 Å²	107	38.6 Å²	38.6	40%	0.404	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	122	164.6	-177.3	168.5	177.1	-122.1	12.7	108.5	A613 E614 V778 L779	A613-R800 WeakPolarHBondContact CA-O 3.35Å; E614-R800 HydrophobicContact CG-CB 3.85Å; E614-R800 HydrophobicContact CG-CG 4.44Å; E614-R800 PolarHBondContact N-O 2.71Å; E614-R800 PolarHBondContact O-N 3.01Å; E614-R800 WeakPolarHBondContact OE1-CD 3.47Å; E614-R800 IonicContact OE1-CZ 3.55Å; E614-R800 IonicContact OE1-NE 2.69Å; E614-R800 IonicContact OE1-NH1 3.8Å; E614-R800 PolarHBondContact OE1-NH1 3.06Å; V778-R800 HydrophobicContact CG1-CG 4.14Å; L779-R800 CarbonylContact O-C 3.56Å; L779-R800 WeakPolarHBondContact O-CA 3.25Å
801	I	97.1	Very high	95.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	118.8	-173.1	-52.6	176.3	0	0	0	107.7	L611 H612 A613 L632 F641 L779 L796 I803	L611-I801 HydrophobicContact CD2-CG2 4.43Å; H612-I801 WeakPolarHBondContact O-CA 3.27Å; A613-I801 HydrophobicContact CB-CG1 4.25Å; L632-I801 HydrophobicContact CD1-CG2 4.42Å; F641-I801 HydrophobicContact CE1-CD1 4.47Å; F641-I801 HydrophobicContact CZ-CD1 3.83Å; L779-I801 HydrophobicContact CB-CB 4.39Å; L779-I801 HydrophobicContact CD2-CD1 4.05Å; L779-I801 PolarHBondContact N-O 3.13Å; L779-I801 PolarHBondContact O-N 2.94Å; L796-I801 HydrophobicContact CD2-CD1 3.57Å; L796-I801 HydrophobicContact CD2-CG1 4.16Å; I801-I803 HydrophobicContact CG2-CG1 4.4Å
802	R	97.6	Very high	95.5	Very high	112 Å²	112	36.7 Å²	36.7	42%	0.423	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	127.4	173.7	-177.8	178.8	179.3	76	6.6	109.2	H612 E776 V777	H612-R802 HydrophobicContact CB-CB 4.44Å; H612-R802 PolarHBondContact N-O 2.94Å; H612-R802 PolarHBondContact O-N 3.25Å; E776-R802 VanDerWaalsContact CD-CZ 3.49Å; E776-R802 IonicContact OE1-CZ 2.76Å; E776-R802 IonicContact OE1-NH1 3.69Å; E776-R802 PolarHBondContact OE1-NH1 2.7Å; E776-R802 IonicContact OE1-NH2 3.86Å; E776-R802 PolarHBondContact OE1-NH2 2.8Å; E776-R802 IonicContact OE2-CZ 3.88Å; E776-R802 IonicContact OE2-NH1 3.98Å; E776-R802 IonicContact OE2-NH2 3.52Å; E776-R802 PolarHBondContact OE2-NH2 3.41Å; V777-R802 WeakPolarHBondContact O-CA 3.35Å
803	I	98.2	Very high	95.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.9	175.3	-40.7	-175.7	0	0	0	108.8	W609 D610 L611 F637 F641 F717 L749 E776 V777 I801	W609-I803 HydrophobicContact CB-CG2 4.15Å; W609-I803 HydrophobicContact CE3-CG2 4.24Å; D610-I803 WeakPolarHBondContact O-CA 3.39Å; L611-I803 HydrophobicContact CD2-CB 4.31Å; L611-I803 HydrophobicContact CD2-CD1 4.04Å; L611-I803 HydrophobicContact CD2-CG1 3.72Å; L611-I803 HydrophobicContact CD2-CG2 4.03Å; F637-I803 HydrophobicContact CE1-CG2 3.66Å; F637-I803 HydrophobicContact CZ-CG2 4.19Å; F641-I803 HydrophobicContact CD1-CD1 3.73Å; F641-I803 HydrophobicContact CE1-CD1 4.19Å; F717-I803 HydrophobicContact CD1-CD1 4.27Å; F717-I803 HydrophobicContact CD2-CD1 4.29Å; F717-I803 HydrophobicContact CG-CD1 4.1Å; L749-I803 HydrophobicContact CD1-CG2 3.72Å; E776-I803 WeakPolarHBondContact CA-O 3.38Å; V777-I803 HydrophobicContact CB-CB 3.95Å; V777-I803 HydrophobicContact CB-CD1 4.07Å; V777-I803 HydrophobicContact CB-CG1 4Å; V777-I803 HydrophobicContact CG1-CD1 4.28Å; V777-I803 HydrophobicContact CG1-CG1 4.48Å; V777-I803 HydrophobicContact CG2-CB 4.42Å; V777-I803 HydrophobicContact CG2-CD1 4.43Å; V777-I803 PolarHBondContact N-O 2.92Å; V777-I803 PolarHBondContact O-N 3.33Å; I801-I803 HydrophobicContact CG2-CG1 4.4Å
804	A	97.3	Very high	95.7	Very high	27 Å²	27	36.6 Å²	36.6	22%	0.223	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	156.1	177.7	0	0	0	0	0	111.9	W609 D610 R806	W609-A804 CarbonylContact C-O 3.55Å; W609-A804 WeakPolarHBondContact CA-O 3.44Å; D610-A804 PolarHBondContact N-O 3.4Å; D610-A804 PolarHBondContact O-N 3.38Å; A804-R806 PolarHBondContact O-N 3.46Å
805	L	96.9	Very high	95.1	Very high	79 Å²	79	37.1 Å²	37.1	41%	0.414	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	118.3	179.5	-176.6	66.9	0	0	0	111.2	D607 W609	D607-L805 HydrophobicContact CB-CD1 3.8Å; D607-L805 WeakPolarHBondContact OD1-CD1 2.98Å; W609-L805 HydrophobicContact CD2-CD1 4.33Å; W609-L805 HydrophobicContact CE3-CB 4.17Å; W609-L805 VanDerWaalsContact CE3-N 3.32Å; W609-L805 HydrophobicContact CH2-CB 3.94Å; W609-L805 HydrophobicContact CH2-CD1 4.18Å; W609-L805 HydrophobicContact CZ2-CB 4.42Å; W609-L805 HydrophobicContact CZ2-CD1 3.8Å; W609-L805 HydrophobicContact CZ3-CB 3.81Å
806	R	95	Very high	93.8	Very high	82 Å²	82	39.2 Å²	39.2	31%	0.309	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-62.8	-179.5	179.6	-168.2	-179	100.5	-22.4	111.8	D555 R608 D610 D635 A804	D555-R806 IonicContact OD2-CZ 2.81Å; D555-R806 IonicContact OD2-NE 3.68Å; D555-R806 PolarHBondContact OD2-NE 3.44Å; D555-R806 IonicContact OD2-NH2 3.72Å; D555-R806 PolarHBondContact OD2-NH2 3.42Å; R608-R806 VanDerWaalsContact O-CB 3.3Å; R608-R806 WeakPolarHBondContact O-CB 3.5Å; R608-R806 PolarHBondContact O-N 2.91Å; D610-R806 HydrophobicContact CB-CB 4.3Å; D610-R806 VanDerWaalsContact CG-CB 3.49Å; D610-R806 WeakPolarHBondContact OD1-CB 3.33Å; D610-R806 WeakPolarHBondContact OD1-CD 3.41Å; D610-R806 WeakPolarHBondContact OD1-CG 3.41Å; D610-R806 IonicContact OD1-CZ 3.21Å; D610-R806 IonicContact OD1-NE 2.73Å; D610-R806 IonicContact OD1-NH1 2.8Å; D610-R806 PolarHBondContact OD1-NH1 2.6Å; D635-R806 IonicContact OD2-NH1 2.88Å; A804-R806 PolarHBondContact O-N 3.46Å
807	N	94.9	Very high	91.7	Very high	52 Å²	52	43.7 Å²	43.7	28%	0.278	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-165	167	-178.3	66.7	-2.5	0	0	0	111.9	D555 R608	D555-N807 PolarHBondContact OD1-ND2 3.2Å; R608-N807 WeakPolarHBondContact CB-O 3.46Å; R608-N807 PolarHBondContact N-O 2.89Å; R608-N807 PolarHBondContact NH1-OD1 3.36Å; R608-N807 PolarHBondContact O-N 2.83Å
808	Q	95.9	Very high	89.2	Confident	88 Å²	88	51.6 Å²	51.6	41%	0.411	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	124.8	165	-79.9	-178.3	-12.3	0	0	110.5	Q605 L606 D607	Q605-Q808 HydrophobicContact CB-CB 4.1Å; Q605-Q808 HydrophobicContact CB-CG 4.18Å; Q605-Q808 HydrophobicContact CG-CB 4.38Å; L606-Q808 CarbonylContact O-C 3.55Å; L606-Q808 WeakPolarHBondContact O-CA 3.38Å; D607-Q808 WeakPolarHBondContact OD1-CG 3.41Å; D607-Q808 PolarHBondContact OD1-NE2 2.84Å; D607-Q808 PolarHBondContact OD2-NE2 2.94Å
809	A	96.9	Very high	86.2	Confident	11 Å²	11	54.7 Å²	54.7	9%	0.091	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	137	166.4	0	0	0	0	0	110.6	L551 Q605 L606 R608	L551-A809 HydrophobicContact CD1-CB 4.25Å; L551-A809 HydrophobicContact CD2-CB 3.82Å; Q605-A809 CarbonylContact C-O 3.59Å; Q605-A809 WeakPolarHBondContact CA-O 3.31Å; Q605-A809 PolarHBondContact OE1-O 3.03Å; L606-A809 PolarHBondContact N-O 2.88Å; L606-A809 PolarHBondContact O-N 2.75Å; R608-A809 VanDerWaalsContact CD-CB 3.41Å; R608-A809 HydrophobicContact CG-CB 4.3Å
810	T	97.5	Very high	83.1	Confident	21 Å²	21	60.1 Å²	60.1	13%	0.129	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	123.4	176.5	-48.7	0	0	0	0	110	P564 V565 V603 Q605	P564-T810 VanDerWaalsContact CA-O 3.28Å; P564-T810 WeakPolarHBondContact CA-O 3.45Å; P564-T810 HydrophobicContact CB-CG2 3.91Å; V565-T810 PolarHBondContact N-O 3.12Å; V565-T810 VanDerWaalsContact N-O 3.14Å; V603-T810 HydrophobicContact CG1-CG2 3.26Å; Q605-T810 PolarHBondContact OE1-OG1 3.04Å
811	M	97.8	Very high	79.8	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	163.4	-174.9	-60.3	-58.9	-74.4	0	0	111.5	V547 L551 V565 I567 L576 L580 V603 V604 L606	V547-M811 HydrophobicContact CG1-CE 3.95Å; L551-M811 HydrophobicContact CD1-SD 4.28Å; L551-M811 HydrophobicContact CD2-SD 3.98Å; V565-M811 HydrophobicContact CB-CE 4.19Å; V565-M811 HydrophobicContact CB-SD 3.95Å; V565-M811 HydrophobicContact CG1-CE 4.39Å; V565-M811 CarbonylContact O-C 3.57Å; V565-M811 WeakPolarHBondContact O-CA 3.48Å; I567-M811 HydrophobicContact CD1-CE 3.98Å; I567-M811 HydrophobicContact CG1-CE 4.2Å; L576-M811 HydrophobicContact CD2-CE 4.3Å; L580-M811 HydrophobicContact CD1-CB 3.9Å; L580-M811 HydrophobicContact CD1-CE 3.61Å; L580-M811 HydrophobicContact CD1-CG 4.14Å; L580-M811 HydrophobicContact CD2-CB 4.41Å; V603-M811 WeakPolarHBondContact CA-O 3.41Å; V604-M811 HydrophobicContact CG2-CB 3.99Å; V604-M811 PolarHBondContact N-O 3.03Å; V604-M811 PolarHBondContact O-N 2.94Å; L606-M811 HydrophobicContact CB-CG 3.56Å; L606-M811 HydrophobicContact CD2-CE 4.34Å; L606-M811 HydrophobicContact CD2-CG 3.95Å; L606-M811 HydrophobicContact CD2-SD 4.16Å; L606-M811 HydrophobicContact CG-CG 4.42Å
812	V	97.6	Very high	76.7	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	118.2	166.9	-172.6	0	0	0	0	108.8	P564 V565 A566 W582 N602	P564-V812 HydrophobicContact CB-CG2 3.78Å; P564-V812 HydrophobicContact CG-CG2 4.19Å; V565-V812 PolarHBondContact O-N 3.17Å; A566-V812 HydrophobicContact CB-CB 3.81Å; A566-V812 HydrophobicContact CB-CG1 4.38Å; A566-V812 HydrophobicContact CB-CG2 4.08Å; W582-V812 HydrophobicContact CZ2-CB 4.4Å; W582-V812 HydrophobicContact CZ2-CG1 4.04Å; W582-V812 PolarHBondContact NE1-O 2.83Å; N602-V812 CarbonylContact O-C 3.53Å; N602-V812 VanDerWaalsContact O-CA 3.27Å; N602-V812 WeakPolarHBondContact O-CA 3.34Å
813	Q	95.9	Very high	73.5	Confident	43 Å²	43	67.7 Å²	67.7	20%	0.201	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	135.2	169.4	-166.4	-176.5	55.3	0	0	109.2	L580 N581 G601 N602 V604 A815	L580-Q813 HydrophobicContact CD2-CB 4.31Å; L580-Q813 HydrophobicContact CD2-CG 4.38Å; L580-Q813 WeakPolarHBondContact O-CG 3.11Å; N581-Q813 WeakPolarHBondContact ND2-CG 3.31Å; N581-Q813 PolarHBondContact ND2-NE2 3.29Å; G601-Q813 CarbonylContact C-O 3.48Å; G601-Q813 WeakPolarHBondContact CA-O 3.39Å; N602-Q813 PolarHBondContact N-O 3.15Å; N602-Q813 VanDerWaalsContact N-O 3.07Å; N602-Q813 PolarHBondContact O-N 3.21Å; V604-Q813 HydrophobicContact CG1-CB 3.91Å; V604-Q813 HydrophobicContact CG2-CB 4.08Å; Q813-A815 PolarHBondContact O-N 3.42Å
814	K	92.8	Very high	70.2	Confident	37 Å²	37	76.5 Å²	76.5	16%	0.161	41%	0.413	C	S	.	.			trans	-63.1	125.5	172.5	-165.8	-169.4	-171.9	-178.2	0	108.1	L580 N581 W582 H597 K816	L580-K814 PolarHBondContact O-N 2.94Å; N581-K814 HydrophobicContact CB-CB 3.98Å; N581-K814 WeakPolarHBondContact O-CB 3.47Å; N581-K814 WeakPolarHBondContact O-CD 3.29Å; W582-K814 HydrophobicContact CD2-CB 3.96Å; W582-K814 HydrophobicContact CE3-CB 4.24Å; W582-K814 HydrophobicContact CE3-CD 4.41Å; W582-K814 HydrophobicContact CE3-CG 4.3Å; W582-K814 HydrophobicContact CG-CB 4.34Å; W582-K814 HydrophobicContact CZ2-CB 4.29Å; W582-K814 HydrophobicContact CZ3-CG 4.36Å; H597-K814 HydrophobicContact CB-CG 4.2Å; H597-K814 VanDerWaalsContact CD2-CE 3.41Å; H597-K814 WeakPolarHBondContact CD2-CE 3.38Å; H597-K814 WeakPolarHBondContact NE2-CE 3.36Å; K814-K816 PolarHBondContact O-N 2.88Å
815	A	81	Confident	67	Low	25 Å²	25	80.5 Å²	80.5	21%	0.207	44%	0.44	C	S	.	.			trans	-70.1	113	179.8	0	0	0	0	0	110.2	Q813 R817	Q813-A815 PolarHBondContact O-N 3.42Å; A815-R817 PolarHBondContact O-N 3.49Å
816	K	66.8	Low	63.9	Low	109 Å²	109	83.4 Å²	83.4	47%	0.474	46%	0.456	S	S	.	.			trans	-60.1	128.2	162.5	-65.6	-167.9	177.3	-168.2	0	107.7	N581 K814 R818	N581-K816 WeakPolarHBondContact OD1-CE 3.39Å; K814-K816 PolarHBondContact O-N 2.88Å; K816-R818 VanDerWaalsContact C-N 3.26Å; K816-R818 PolarHBondContact O-N 3.49Å
817	R	50.2	Low	61	Low	96 Å²	96	87.2 Å²	87.2	36%	0.362	48%	0.477	S	S	.	.			trans	-76.9	69.6	-173.5	-79	-173.3	161.4	-151.8	-12.3	112.7	E600 A815 T911 Q934	E600-R817 IonicContact OE1-NH2 3.65Å; E600-R817 IonicContact OE2-NH2 2.67Å; E600-R817 PolarHBondContact OE2-NH2 2.91Å; A815-R817 PolarHBondContact O-N 3.49Å; R817-T911 PolarHBondContact NH1-O 3.16Å; R817-Q934 PolarHBondContact O-NE2 3.31Å
818	R	40.3	Very low	57.9	Low	181 Å²	181	91.5 Å²	91.5	68%	0.683	50%	0.496	S	S	*	.			trans	-63.9	130.1	160.3	-70.5	-174.2	173.6	-179.2	-2.5	108.5	K816	K816-R818 VanDerWaalsContact C-N 3.26Å; K816-R818 PolarHBondContact O-N 3.49Å
819	S	29.8	Very low	55.2	Low	78 Å²	78	92.5 Å²	92.5	55%	0.545	51%	0.51	S	S	.	.			trans	-67.2	161.8	176.1	-85.2	0	0	0	0	111.8	A821 Q934	S819-A821 PolarHBondContact O-N 3.09Å; S819-Q934 VanDerWaalsContact OG-CD 3.25Å; S819-Q934 PolarHBondContact OG-NE2 2.96Å; S819-Q934 PolarHBondContact OG-OE1 2.99Å
820	A	29.2	Very low	52.8	Low	115 Å²	115	95.6 Å²	95.6	95%	0.95	53%	0.528	S	S	*	.	S	Bend	trans	-74.1	93.7	-166.9	0	0	0	0	0	113.6
821	A	26.4	Very low	50.6	Low	81 Å²	81	98 Å²	98	67%	0.669	54%	0.544	S	S	*	.			trans	-137.5	129.5	161.5	0	0	0	0	0	109.6	S819 L823	S819-A821 PolarHBondContact O-N 3.09Å; A821-L823 PolarHBondContact O-N 3.13Å
822	P	33.4	Very low	48.6	Very low	134 Å²	134	106.6 Å²	106.6	87%	0.87	58%	0.584	S	S	*	*			trans	-83.9	103	178.1	32.3	-31.5	0	0	0	110.4
823	L	29.7	Very low	47.3	Very low	162 Å²	162	113 Å²	113	85%	0.848	61%	0.614	S	S	*	*			trans	-112.7	152.3	161.7	-83.5	170	0	0	0	110.5	A821	A821-L823 PolarHBondContact O-N 3.13Å
824	H	28.6	Very low	46.4	Very low	185 Å²	185	112.4 Å²	112.4	86%	0.856	61%	0.611	S	S	*	*			trans	-69.7	172.8	-174.6	-120.9	-114.3	0	0	0	112.1	D826	H824-D826 PolarHBondContact O-N 3.28Å
825	S	30.8	Very low	46	Very low	112 Å²	112	119.9 Å²	119.9	78%	0.783	64%	0.639	S	S	*	*	S	Bend	trans	-51.2	96.1	173.9	172.4	0	0	0	0	112.9
826	D	31.1	Very low	46.3	Very low	140 Å²	140	118.9 Å²	118.9	75%	0.749	63%	0.63	S	S	*	*			trans	-146	138.5	147.9	-93.3	-42.8	0	0	0	109.8	H824 Q828	H824-D826 PolarHBondContact O-N 3.28Å; D826-Q828 PolarHBondContact O-N 2.89Å
827	Q	34.1	Very low	47.3	Very low	162 Å²	162	117.9 Å²	117.9	76%	0.757	63%	0.627	S	S	*	*			trans	-75.8	79.7	163.9	-67.8	-173.3	7.3	0	0	107.9	P829	Q827-P829 WeakPolarHBondContact O-CD 3.46Å
828	Q	29.6	Very low	49.3	Very low	141 Å²	141	113.3 Å²	113.3	66%	0.659	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-52.1	120.6	162.8	-91.2	-168.7	-42.3	0	0	107.7	D826	D826-Q828 PolarHBondContact O-N 2.89Å
829	P	40.8	Very low	51.8	Low	109 Å²	109	104.8 Å²	104.8	71%	0.708	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-59	157.5	178	25	-33.4	0	0	0	109.3	Q827 P831	Q827-P829 WeakPolarHBondContact O-CD 3.46Å; P829-P831 WeakPolarHBondContact O-CD 3.29Å
830	V	45.5	Very low	54.7	Low	77 Å²	77	101.4 Å²	101.4	47%	0.467	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-55.7	126.1	165	171.7	0	0	0	0	106.8	E832 G870	V830-E832 PolarHBondContact O-N 2.96Å; V830-E832 VanDerWaalsContact O-N 3.17Å; V830-G870 WeakPolarHBondContact CG1-O 3.2Å
831	P	51.4	Low	57.7	Low	72 Å²	72	95.9 Å²	95.9	47%	0.468	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-55.3	125.6	179	-27.4	35.8	0	0	0	109.9	P829 Q833 L834 G870	P829-P831 WeakPolarHBondContact O-CD 3.29Å; P831-Q833 WeakPolarHBondContact CB-O 3.34Å; P831-Q833 PolarHBondContact O-N 2.78Å; P831-L834 HydrophobicContact CB-CD2 3.96Å; P831-L834 HydrophobicContact CG-CD2 3.81Å; P831-G870 WeakPolarHBondContact O-CA 3.45Å; P831-G870 PolarHBondContact O-N 2.86Å
832	E	55.7	Low	60.7	Low	179 Å²	179	92 Å²	92	84%	0.836	48%	0.476	S	S	*	.	S	Bend	trans	-48.8	-35.4	-179.1	-172.6	176.4	-166.4	0	0	111.5	V830 P869	V830-E832 PolarHBondContact O-N 2.96Å; V830-E832 VanDerWaalsContact O-N 3.17Å; E832-P869 WeakPolarHBondContact O-CA 3.38Å
833	Q	69.6	Low	63.2	Low	135 Å²	135	87.7 Å²	87.7	63%	0.631	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	133.5	163.4	-60.7	177.8	11.6	0	0	110.5	P831 V867 V868	P831-Q833 WeakPolarHBondContact CB-O 3.34Å; P831-Q833 PolarHBondContact O-N 2.78Å; Q833-V867 HydrophobicContact CB-CG1 3.78Å; Q833-V867 HydrophobicContact CG-CG1 4.34Å; Q833-V867 VanDerWaalsContact OE1-CG1 3.29Å; Q833-V868 CarbonylContact C-O 3.54Å; Q833-V868 WeakPolarHBondContact CA-O 3.25Å
834	L	77.9	Confident	65.9	Low	30 Å²	30	86.5 Å²	86.5	16%	0.157	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	132.2	168.1	-68.2	170.4	0	0	0	109.9	P831 I836 V867 V868 T930	P831-L834 HydrophobicContact CB-CD2 3.96Å; P831-L834 HydrophobicContact CG-CD2 3.81Å; L834-I836 HydrophobicContact CB-CD1 3.84Å; L834-I836 HydrophobicContact CB-CG1 4.08Å; L834-I836 HydrophobicContact CD1-CD1 4.18Å; L834-V867 VanDerWaalsContact O-CA 3.31Å; L834-V867 WeakPolarHBondContact O-CA 3.34Å; L834-V868 HydrophobicContact CB-CG2 4.26Å; L834-V868 PolarHBondContact N-O 2.82Å; L834-V868 PolarHBondContact O-N 2.77Å; L834-T930 HydrophobicContact CD1-CG2 3.36Å
835	R	83.9	Confident	68.7	Low	195 Å²	195	79 Å²	79	74%	0.736	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	114.9	172.3	-178.9	179.4	-178.7	127.3	6.3	108.9	T865 V866 V867	R835-T865 HydrophobicContact CG-CG2 3.47Å; R835-T865 VanDerWaalsContact CG-CG2 3.47Å; R835-V866 WeakPolarHBondContact CA-O 3.44Å; R835-V867 HydrophobicContact CB-CG2 4.3Å; R835-V867 HydrophobicContact CG-CG2 4.18Å
836	I	87.8	Confident	71.3	Confident	4 Å²	4	74.8 Å²	74.8	2%	0.021	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	130	-166.7	-62.5	173.1	0	0	0	110.7	L834 T865 V866 V868 V929 I937	L834-I836 HydrophobicContact CB-CD1 3.84Å; L834-I836 HydrophobicContact CB-CG1 4.08Å; L834-I836 HydrophobicContact CD1-CD1 4.18Å; I836-T865 CarbonylContact O-C 3.56Å; I836-T865 WeakPolarHBondContact O-CA 3.44Å; I836-T865 WeakPolarHBondContact O-CG2 3.48Å; I836-V866 HydrophobicContact CB-CG2 4.29Å; I836-V866 PolarHBondContact N-O 2.97Å; I836-V866 PolarHBondContact O-N 2.91Å; I836-V868 HydrophobicContact CD1-CG2 4.49Å; I836-V929 HydrophobicContact CD1-CG1 3.24Å; I836-I937 HydrophobicContact CG2-CB 3.89Å; I836-I937 HydrophobicContact CG2-CG2 3.74Å
837	Q	88.4	Confident	73.8	Confident	88 Å²	88	74.3 Å²	74.3	41%	0.411	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	132.6	175.2	-178.1	166.6	-64.1	0	0	110.3	D935 E936 I937	Q837-D935 PolarHBondContact N-O 3.23Å; Q837-E936 HydrophobicContact CB-CB 4.33Å; Q837-E936 HydrophobicContact CB-CG 4.22Å; Q837-E936 HydrophobicContact CG-CG 4.28Å; Q837-E936 PolarHBondContact NE2-OE1 3.13Å; Q837-E936 CarbonylContact O-C 3.58Å; Q837-E936 VanDerWaalsContact O-CA 3.29Å; Q837-E936 WeakPolarHBondContact O-CA 3.39Å; Q837-I937 WeakPolarHBondContact O-CG2 3.21Å; Q837-I937 PolarHBondContact O-N 3.45Å
838	V	91.9	Very high	76.1	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	124.2	178.2	-173.5	0	0	0	0	108.5	L863 G864 V866 I881 L884 I937 I939	V838-L863 HydrophobicContact CB-CB 4.37Å; V838-L863 HydrophobicContact CG1-CB 4.25Å; V838-L863 HydrophobicContact CG1-CD2 3.96Å; V838-L863 WeakPolarHBondContact O-CB 3.49Å; V838-L863 PolarHBondContact O-N 3.47Å; V838-G864 PolarHBondContact N-O 3.18Å; V838-G864 PolarHBondContact O-N 3.26Å; V838-V866 HydrophobicContact CG2-CB 4.47Å; V838-V866 HydrophobicContact CG2-CG1 4Å; V838-V866 HydrophobicContact CG2-CG2 3.93Å; V838-I881 HydrophobicContact CG1-CD1 4.04Å; V838-I881 HydrophobicContact CG1-CG1 4.3Å; V838-I881 HydrophobicContact CG1-CG2 4.3Å; V838-I881 HydrophobicContact CG2-CD1 4.2Å; V838-I881 HydrophobicContact CG2-CG1 4Å; V838-L884 HydrophobicContact CG2-CD1 4.5Å; V838-I937 HydrophobicContact CB-CG2 4.2Å; V838-I937 HydrophobicContact CG1-CG2 4.26Å; V838-I937 HydrophobicContact CG2-CG2 3.83Å; V838-I939 HydrophobicContact CG1-CD1 4.2Å; V838-I939 HydrophobicContact CG1-CG2 4.44Å
839	S	92.1	Very high	78.7	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.007	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134.4	178	-72.9	0	0	0	0	111.6	V861 P862 E936 I937 Y938 I939	S839-V861 CarbonylContact C-O 3.57Å; S839-V861 WeakPolarHBondContact CA-O 3.28Å; S839-P862 WeakPolarHBondContact OG-CA 3.38Å; S839-E936 WeakPolarHBondContact CB-OE1 3.3Å; S839-E936 PolarHBondContact OG-OE1 3.14Å; S839-I937 PolarHBondContact N-O 3.3Å; S839-Y938 CarbonylContact O-C 3.35Å; S839-Y938 VanDerWaalsContact O-CA 3.26Å; S839-Y938 WeakPolarHBondContact O-CA 3.39Å; S839-I939 PolarHBondContact O-N 3.35Å
840	R	90.7	Very high	80.4	Confident	7 Å²	7	61.3 Å²	61.3	3%	0.026	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	146.4	-178.9	63.3	178.9	179	-176.3	4.9	112.1	S860 V861 Q899 I939 L944	R840-S860 CarbonylContact O-C 3.46Å; R840-S860 WeakPolarHBondContact O-CA 3.43Å; R840-V861 HydrophobicContact CG-CB 4.07Å; R840-V861 WeakPolarHBondContact CG-O 3.36Å; R840-V861 PolarHBondContact N-O 3.4Å; R840-V861 PolarHBondContact O-N 3.48Å; R840-Q899 PolarHBondContact NH1-O 3.29Å; R840-Q899 VanDerWaalsContact NH1-O 3.12Å; R840-I939 CarbonylContact C-O 3.59Å; R840-I939 WeakPolarHBondContact CA-O 3.48Å; R840-I939 HydrophobicContact CB-CD1 4.16Å; R840-I939 HydrophobicContact CB-CG1 3.72Å; R840-L944 HydrophobicContact CG-CD2 3.91Å
841	V	91.4	Very high	81.6	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.2	-178.4	178	0	0	0	0	107.7	D845 L856 L908 I939 L940 D941	V841-D845 HydrophobicContact CG1-CB 4.44Å; V841-L856 HydrophobicContact CG1-CD1 3.63Å; V841-L856 HydrophobicContact CG1-CD2 4.1Å; V841-L856 HydrophobicContact CG1-CG 3.9Å; V841-L908 HydrophobicContact CB-CD1 4.24Å; V841-L908 HydrophobicContact CG2-CD1 4.18Å; V841-I939 PolarHBondContact N-O 2.88Å; V841-L940 HydrophobicContact CG1-CD1 4.38Å; V841-D941 PolarHBondContact O-N 3.04Å
842	S	89.4	Confident	82.9	Confident	0 Å²	0	64 Å²	64	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	155	175.9	82.4	0	0	0	0	111.7	H844 D845 Y846 L944	S842-H844 PolarHBondContact O-N 2.86Å; S842-H844 PolarHBondContact OG-N 3.5Å; S842-D845 WeakPolarHBondContact CB-OD2 3.18Å; S842-D845 PolarHBondContact O-N 3.31Å; S842-D845 PolarHBondContact OG-N 3.47Å; S842-D845 PolarHBondContact OG-OD2 3.02Å; S842-Y846 WeakPolarHBondContact O-CB 3.45Å; S842-Y846 PolarHBondContact O-N 3.44Å; S842-L944 VanDerWaalsContact CB-O 3.27Å; S842-L944 WeakPolarHBondContact CB-O 3.37Å
843	M	86.7	Confident	84.1	Confident	43 Å²	43	58.1 Å²	58.1	21%	0.212	27%	0.273	C	S	.	.	H	α-helix	trans	-57.8	-32.1	169.3	-94.5	-67.8	-58.3	0	0	113.1	E847 L940 D941 P942	M843-E847 HydrophobicContact CE-CG 3.97Å; M843-E847 WeakPolarHBondContact CE-OE1 3.23Å; M843-E847 WeakPolarHBondContact O-CB 3.47Å; M843-E847 WeakPolarHBondContact O-CG 3.12Å; M843-E847 PolarHBondContact O-N 2.72Å; M843-L940 HydrophobicContact CG-CD1 4.22Å; M843-L940 HydrophobicContact CG-CG 4.39Å; M843-L940 HydrophobicContact SD-CD1 4.17Å; M843-L940 HydrophobicContact SD-CD2 3.77Å; M843-L940 HydrophobicContact SD-CG 4.16Å; M843-D941 PolarHBondContact N-O 3.1Å; M843-P942 HydrophobicContact CG-CB 4Å; M843-P942 HydrophobicContact CG-CG 4.34Å
844	H	86.5	Confident	84.7	Confident	137 Å²	137	56.6 Å²	56.6	63%	0.634	27%	0.266	S	S	*	.	H	α-helix	trans	-67.1	-50.7	177.4	-174.3	78.9	0	0	0	111.7	S842 Y846 E847 A848	S842-H844 PolarHBondContact O-N 2.86Å; S842-H844 PolarHBondContact OG-N 3.5Å; H844-Y846 VanDerWaalsContact C-N 3.32Å; H844-Y846 PolarHBondContact O-N 3.34Å; H844-E847 PolarHBondContact O-N 3.01Å; H844-A848 WeakPolarHBondContact O-CB 3.16Å; H844-A848 PolarHBondContact O-N 2.67Å
845	D	86.5	Confident	84.8	Confident	26 Å²	26	59.8 Å²	59.8	14%	0.139	28%	0.28	C	S	.	.	H	α-helix	trans	-65.3	-39.7	-179.9	-57.2	-50.9	0	0	0	110.1	V841 S842 A848 L849 L856 A859	V841-D845 HydrophobicContact CG1-CB 4.44Å; S842-D845 WeakPolarHBondContact CB-OD2 3.18Å; S842-D845 PolarHBondContact O-N 3.31Å; S842-D845 PolarHBondContact OG-N 3.47Å; S842-D845 PolarHBondContact OG-OD2 3.02Å; D845-A848 PolarHBondContact O-N 3.06Å; D845-L849 WeakPolarHBondContact O-CA 3.36Å; D845-L849 VanDerWaalsContact O-CB 3.27Å; D845-L849 WeakPolarHBondContact O-CB 3.18Å; D845-L849 PolarHBondContact O-N 3.13Å; D845-L856 HydrophobicContact CB-CD1 4.11Å; D845-L856 WeakPolarHBondContact O-CD1 3.46Å; D845-A859 HydrophobicContact CB-CB 4.19Å
846	Y	86.6	Confident	84.8	Confident	25 Å²	25	50.5 Å²	50.5	10%	0.098	25%	0.245	C	C	.	.	H	α-helix	trans	-60.3	-50.9	173.3	-178	-91.1	0	0	0	111.9	S842 H844 A848 L849 H850 L856 L908 F916 R918 L940	S842-Y846 WeakPolarHBondContact O-CB 3.45Å; S842-Y846 PolarHBondContact O-N 3.44Å; H844-Y846 VanDerWaalsContact C-N 3.32Å; H844-Y846 PolarHBondContact O-N 3.34Å; Y846-A848 VanDerWaalsContact C-N 3.31Å; Y846-A848 PolarHBondContact O-N 3.22Å; Y846-L849 PolarHBondContact O-N 3.08Å; Y846-H850 HydrophobicContact CD1-CB 4.45Å; Y846-H850 HydrophobicContact CD2-CB 4.03Å; Y846-H850 HydrophobicContact CE1-CB 4.29Å; Y846-H850 HydrophobicContact CE2-CB 3.85Å; Y846-H850 HydrophobicContact CG-CB 4.31Å; Y846-H850 WeakPolarHBondContact O-CB 3.24Å; Y846-H850 VanDerWaalsContact O-CG 3.28Å; Y846-H850 PolarHBondContact O-N 2.84Å; Y846-H850 PolarHBondContact O-ND1 3.14Å; Y846-L856 HydrophobicContact CD2-CD2 4.09Å; Y846-L908 HydrophobicContact CD2-CD1 4.1Å; Y846-L908 HydrophobicContact CD2-CD2 4.08Å; Y846-L908 HydrophobicContact CE2-CD1 4.37Å; Y846-L908 HydrophobicContact CE2-CD2 3.66Å; Y846-F916 HydrophobicContact CE2-CB 4.23Å; Y846-R918 HydrophobicContact CE1-CG 4.41Å; Y846-R918 HydrophobicContact CE2-CG 4.4Å; Y846-L940 HydrophobicContact CD1-CD2 4.12Å; Y846-L940 HydrophobicContact CD2-CD1 4.22Å; Y846-L940 HydrophobicContact CD2-CD2 4.25Å; Y846-L940 HydrophobicContact CE1-CD2 4.41Å; Y846-L940 HydrophobicContact CG-CD1 3.85Å; Y846-L940 HydrophobicContact CG-CD2 4.06Å
847	E	83.6	Confident	84.8	Confident	129 Å²	129	53.2 Å²	53.2	60%	0.603	26%	0.257	S	S	*	.	H	α-helix	trans	-60.8	-40	179.9	-76.8	-169.9	173.2	0	0	112.6	M843 H844 H850	M843-E847 HydrophobicContact CE-CG 3.97Å; M843-E847 WeakPolarHBondContact CE-OE1 3.23Å; M843-E847 WeakPolarHBondContact O-CB 3.47Å; M843-E847 WeakPolarHBondContact O-CG 3.12Å; M843-E847 PolarHBondContact O-N 2.72Å; H844-E847 PolarHBondContact O-N 3.01Å; E847-H850 PolarHBondContact O-CE1 3.24Å; E847-H850 PolarHBondContact O-ND1 3.12Å
848	A	82.3	Confident	84.6	Confident	68 Å²	68	56.3 Å²	56.3	56%	0.562	27%	0.272	S	S	*	.	H	α-helix	trans	-71.7	-46.4	177.6	0	0	0	0	0	113.6	H844 D845 Y846	H844-A848 WeakPolarHBondContact O-CB 3.16Å; H844-A848 PolarHBondContact O-N 2.67Å; D845-A848 PolarHBondContact O-N 3.06Å; Y846-A848 VanDerWaalsContact C-N 3.31Å; Y846-A848 PolarHBondContact O-N 3.22Å
849	L	83.1	Confident	84.2	Confident	42 Å²	42	57.6 Å²	57.6	22%	0.22	28%	0.282	C	S	.	.	H	α-helix	trans	-114.6	-0.2	-162.9	-56.5	173.7	0	0	0	114.8	D845 Y846 Y851 D852 Q855 L856 A859	D845-L849 WeakPolarHBondContact O-CA 3.36Å; D845-L849 VanDerWaalsContact O-CB 3.27Å; D845-L849 WeakPolarHBondContact O-CB 3.18Å; D845-L849 PolarHBondContact O-N 3.13Å; Y846-L849 PolarHBondContact O-N 3.08Å; L849-Y851 PolarHBondContact O-N 2.8Å; L849-D852 CarbonylContact O-C 3.52Å; L849-D852 PolarHBondContact O-N 2.93Å; L849-Q855 HydrophobicContact CD1-CB 4.21Å; L849-Q855 HydrophobicContact CD2-CB 4.24Å; L849-L856 HydrophobicContact CB-CB 4.18Å; L849-L856 HydrophobicContact CB-CD1 3.78Å; L849-A859 HydrophobicContact CD1-CB 4.1Å
850	H	77.2	Confident	84.1	Confident	30 Å²	30	58.4 Å²	58.4	14%	0.139	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-21	-179.8	65.9	-76.4	0	0	0	114.9	Y846 E847 R915	Y846-H850 HydrophobicContact CD1-CB 4.45Å; Y846-H850 HydrophobicContact CD2-CB 4.03Å; Y846-H850 HydrophobicContact CE1-CB 4.29Å; Y846-H850 HydrophobicContact CE2-CB 3.85Å; Y846-H850 HydrophobicContact CG-CB 4.31Å; Y846-H850 WeakPolarHBondContact O-CB 3.24Å; Y846-H850 VanDerWaalsContact O-CG 3.28Å; Y846-H850 PolarHBondContact O-N 2.84Å; Y846-H850 PolarHBondContact O-ND1 3.14Å; E847-H850 PolarHBondContact O-CE1 3.24Å; E847-H850 PolarHBondContact O-ND1 3.12Å; H850-R915 WeakPolarHBondContact O-CA 3.45Å; H850-R915 WeakPolarHBondContact O-CB 3.46Å
851	Y	69.8	Low	84	Confident	136 Å²	136	59.9 Å²	59.9	53%	0.533	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-6.9	173	-71.6	-70.6	0	0	0	115.4	L849 R915	L849-Y851 PolarHBondContact O-N 2.8Å; Y851-R915 PolarHBondContact OH-NH1 3.02Å
852	D	79.9	Confident	83.7	Confident	70 Å²	70	63.9 Å²	63.9	37%	0.374	32%	0.323	S	S	.	.			trans	-125.7	97.2	174.2	-164.8	-36.1	0	0	0	109.6	L849 E854 Q855 L856	L849-D852 CarbonylContact O-C 3.52Å; L849-D852 PolarHBondContact O-N 2.93Å; D852-E854 VanDerWaalsContact C-N 3.32Å; D852-E854 PolarHBondContact O-N 3.46Å; D852-E854 PolarHBondContact OD1-N 2.78Å; D852-Q855 HydrophobicContact CB-CB 4.28Å; D852-Q855 HydrophobicContact CB-CG 4.4Å; D852-Q855 VanDerWaalsContact CG-NE2 3.34Å; D852-Q855 PolarHBondContact O-N 2.78Å; D852-Q855 PolarHBondContact OD2-NE2 3.47Å; D852-L856 PolarHBondContact O-N 2.92Å; D852-L856 VanDerWaalsContact O-N 3.11Å
853	K	80.4	Confident	83.4	Confident	54 Å²	54	66.1 Å²	66.1	24%	0.235	34%	0.335	C	S	.	.	H	α-helix	trans	-60.5	-39.1	-169.6	-170.1	-173.8	-179.4	-178.2	0	112.9	K857 A910 F916	K853-K857 WeakPolarHBondContact O-CG 3.48Å; K853-K857 PolarHBondContact O-N 2.81Å; K853-A910 WeakPolarHBondContact CE-O 3.46Å; K853-A910 PolarHBondContact NZ-O 2.89Å; K853-F916 HydrophobicContact CB-CE2 4.37Å; K853-F916 HydrophobicContact CG-CD2 4.08Å; K853-F916 HydrophobicContact CG-CE2 3.55Å; K853-F916 HydrophobicContact CG-CZ 4.13Å
854	E	81.9	Confident	83.4	Confident	104 Å²	104	65.4 Å²	65.4	49%	0.486	34%	0.338	S	S	.	.	H	α-helix	trans	-80.8	-33.6	-172.7	-53.6	-54.1	119.3	0	0	111.1	D852 K857 E858	D852-E854 VanDerWaalsContact C-N 3.32Å; D852-E854 PolarHBondContact O-N 3.46Å; D852-E854 PolarHBondContact OD1-N 2.78Å; E854-K857 PolarHBondContact O-N 3.35Å; E854-K857 IonicContact OE1-NZ 3.72Å; E854-K857 PolarHBondContact OE1-NZ 3.19Å; E854-K857 IonicContact OE2-NZ 2.89Å; E854-K857 PolarHBondContact OE2-NZ 2.8Å; E854-E858 PolarHBondContact O-N 3.11Å; E854-E858 VanDerWaalsContact O-N 3.1Å
855	Q	81.1	Confident	83.4	Confident	97 Å²	97	61.5 Å²	61.5	45%	0.453	32%	0.324	S	S	.	.	H	α-helix	trans	-64.9	-38.3	169.6	-66.1	-173.6	56.8	0	0	112.2	L849 D852 K857 E858 A859	L849-Q855 HydrophobicContact CD1-CB 4.21Å; L849-Q855 HydrophobicContact CD2-CB 4.24Å; D852-Q855 HydrophobicContact CB-CB 4.28Å; D852-Q855 HydrophobicContact CB-CG 4.4Å; D852-Q855 VanDerWaalsContact CG-NE2 3.34Å; D852-Q855 PolarHBondContact O-N 2.78Å; D852-Q855 PolarHBondContact OD2-NE2 3.47Å; Q855-K857 VanDerWaalsContact C-N 3.32Å; Q855-K857 PolarHBondContact O-N 3.45Å; Q855-E858 PolarHBondContact O-N 2.84Å; Q855-A859 WeakPolarHBondContact O-CB 3.37Å; Q855-A859 PolarHBondContact O-N 3.44Å
856	L	84.2	Confident	83.5	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-68.2	-30.8	177.2	-165	74.5	0	0	0	112.8	V841 D845 Y846 L849 D852 S860 F916	V841-L856 HydrophobicContact CG1-CD1 3.63Å; V841-L856 HydrophobicContact CG1-CD2 4.1Å; V841-L856 HydrophobicContact CG1-CG 3.9Å; D845-L856 HydrophobicContact CB-CD1 4.11Å; D845-L856 WeakPolarHBondContact O-CD1 3.46Å; Y846-L856 HydrophobicContact CD2-CD2 4.09Å; L849-L856 HydrophobicContact CB-CB 4.18Å; L849-L856 HydrophobicContact CB-CD1 3.78Å; D852-L856 PolarHBondContact O-N 2.92Å; D852-L856 VanDerWaalsContact O-N 3.11Å; L856-S860 PolarHBondContact O-N 2.9Å; L856-F916 HydrophobicContact CB-CD2 4.28Å; L856-F916 HydrophobicContact CB-CE2 4Å; L856-F916 HydrophobicContact CD2-CB 4.32Å; L856-F916 HydrophobicContact CD2-CD2 3.39Å; L856-F916 HydrophobicContact CD2-CE2 3.77Å; L856-F916 HydrophobicContact CD2-CG 3.96Å; L856-F916 HydrophobicContact CG-CD2 4.36Å; L856-F916 HydrophobicContact CG-CE2 4.31Å
857	K	86.1	Confident	83.5	Confident	61 Å²	61	62 Å²	62	27%	0.265	33%	0.331	S	S	.	.	H	α-helix	trans	-66.2	-46.1	170.2	-69.7	174.3	178	168.4	0	111.9	K853 E854 Q855 A859 S860 F916 Y938	K853-K857 WeakPolarHBondContact O-CG 3.48Å; K853-K857 PolarHBondContact O-N 2.81Å; E854-K857 PolarHBondContact O-N 3.35Å; E854-K857 IonicContact OE1-NZ 3.72Å; E854-K857 PolarHBondContact OE1-NZ 3.19Å; E854-K857 IonicContact OE2-NZ 2.89Å; E854-K857 PolarHBondContact OE2-NZ 2.8Å; Q855-K857 VanDerWaalsContact C-N 3.32Å; Q855-K857 PolarHBondContact O-N 3.45Å; K857-A859 PolarHBondContact O-N 3.21Å; K857-S860 WeakPolarHBondContact O-CB 3.46Å; K857-S860 PolarHBondContact O-N 3.35Å; K857-S860 PolarHBondContact O-OG 3.29Å; K857-F916 HydrophobicContact CG-CZ 4.1Å; K857-Y938 HydrophobicContact CG-CE1 4.09Å
858	E	85.4	Confident	83.6	Confident	153 Å²	153	55.9 Å²	55.9	72%	0.715	30%	0.302	S	S	*	.	H	α-helix	trans	-65	-27.8	179.1	-171	172.1	-168.6	0	0	112.3	E854 Q855	E854-E858 PolarHBondContact O-N 3.11Å; E854-E858 VanDerWaalsContact O-N 3.1Å; Q855-E858 PolarHBondContact O-N 2.84Å
859	A	84.1	Confident	83.2	Confident	26 Å²	26	55.5 Å²	55.5	22%	0.215	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-6.9	170.5	0	0	0	0	0	114.4	D845 L849 Q855 K857	D845-A859 HydrophobicContact CB-CB 4.19Å; L849-A859 HydrophobicContact CD1-CB 4.1Å; Q855-A859 WeakPolarHBondContact O-CB 3.37Å; Q855-A859 PolarHBondContact O-N 3.44Å; K857-A859 PolarHBondContact O-N 3.21Å
860	S	89.4	Confident	82.5	Confident	18 Å²	18	53.6 Å²	53.6	13%	0.126	29%	0.285	C	S	.	.			trans	-81.6	146.3	179.5	77.8	0	0	0	0	111.9	R840 L856 K857	R840-S860 CarbonylContact O-C 3.46Å; R840-S860 WeakPolarHBondContact O-CA 3.43Å; L856-S860 PolarHBondContact O-N 2.9Å; K857-S860 WeakPolarHBondContact O-CB 3.46Å; K857-S860 PolarHBondContact O-N 3.35Å; K857-S860 PolarHBondContact O-OG 3.29Å
861	V	87.4	Confident	82.1	Confident	38 Å²	38	56.5 Å²	56.5	23%	0.23	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.2	-178.2	-179.4	0	0	0	0	108.8	S839 R840 L863 A947	S839-V861 CarbonylContact C-O 3.57Å; S839-V861 WeakPolarHBondContact CA-O 3.28Å; R840-V861 HydrophobicContact CG-CB 4.07Å; R840-V861 WeakPolarHBondContact CG-O 3.36Å; R840-V861 PolarHBondContact N-O 3.4Å; R840-V861 PolarHBondContact O-N 3.48Å; V861-L863 PolarHBondContact O-N 2.91Å; V861-A947 HydrophobicContact CG2-CB 4.42Å
862	P	85.4	Confident	82.6	Confident	85 Å²	85	50.2 Å²	50.2	55%	0.552	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.1	132.9	176.5	26.5	-33.8	0	0	0	110.8	S839	S839-P862 WeakPolarHBondContact OG-CA 3.38Å
863	L	84.8	Confident	82.9	Confident	47 Å²	47	48.5 Å²	48.5	25%	0.246	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-40.5	177.6	-174.2	77.3	0	0	0	111.3	V838 V861 I881 L901 I939	V838-L863 HydrophobicContact CB-CB 4.37Å; V838-L863 HydrophobicContact CG1-CB 4.25Å; V838-L863 HydrophobicContact CG1-CD2 3.96Å; V838-L863 WeakPolarHBondContact O-CB 3.49Å; V838-L863 PolarHBondContact O-N 3.47Å; V861-L863 PolarHBondContact O-N 2.91Å; L863-I881 HydrophobicContact CD2-CG2 4.08Å; L863-L901 HydrophobicContact CD1-CD2 4.32Å; L863-L901 HydrophobicContact CD2-CD1 3.9Å; L863-L901 HydrophobicContact CD2-CD2 4.4Å; L863-L901 HydrophobicContact CD2-CG 4.43Å; L863-I939 HydrophobicContact CD2-CD1 4.04Å
864	G	85	Confident	83.1	Confident	27 Å²	27	45.9 Å²	45.9	28%	0.278	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	168.7	-157	-176.9	0	0	0	0	0	113.3	V838	V838-G864 PolarHBondContact N-O 3.18Å; V838-G864 PolarHBondContact O-N 3.26Å
865	T	87.4	Confident	83.3	Confident	55 Å²	55	45.1 Å²	45.1	34%	0.337	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	121.8	175.7	-57.4	0	0	0	0	109.2	R835 I836	R835-T865 HydrophobicContact CG-CG2 3.47Å; R835-T865 VanDerWaalsContact CG-CG2 3.47Å; I836-T865 CarbonylContact O-C 3.56Å; I836-T865 WeakPolarHBondContact O-CA 3.44Å; I836-T865 WeakPolarHBondContact O-CG2 3.48Å
866	V	88.9	Confident	83.4	Confident	4 Å²	4	45 Å²	45	2%	0.024	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	152.1	171	-70.1	0	0	0	0	110.7	R835 I836 V838 V868 H880 I881 L884	R835-V866 WeakPolarHBondContact CA-O 3.44Å; I836-V866 HydrophobicContact CB-CG2 4.29Å; I836-V866 PolarHBondContact N-O 2.97Å; I836-V866 PolarHBondContact O-N 2.91Å; V838-V866 HydrophobicContact CG2-CB 4.47Å; V838-V866 HydrophobicContact CG2-CG1 4Å; V838-V866 HydrophobicContact CG2-CG2 3.93Å; V866-V868 HydrophobicContact CB-CG1 4.27Å; V866-V868 HydrophobicContact CG2-CG1 4.25Å; V866-H880 HydrophobicContact CB-CB 4.26Å; V866-H880 HydrophobicContact CG1-CB 3.93Å; V866-I881 HydrophobicContact CG1-CB 4.49Å; V866-I881 HydrophobicContact CG1-CG1 3.7Å; V866-L884 HydrophobicContact CG1-CD1 3.54Å; V866-L884 HydrophobicContact CG1-CG 4.04Å
867	V	86.3	Confident	83.6	Confident	58 Å²	58	45 Å²	45	35%	0.352	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	124.2	163.1	-178.4	0	0	0	0	107.4	Q833 L834 R835 H880	Q833-V867 HydrophobicContact CB-CG1 3.78Å; Q833-V867 HydrophobicContact CG-CG1 4.34Å; Q833-V867 VanDerWaalsContact OE1-CG1 3.29Å; L834-V867 VanDerWaalsContact O-CA 3.31Å; L834-V867 WeakPolarHBondContact O-CA 3.34Å; R835-V867 HydrophobicContact CB-CG2 4.3Å; R835-V867 HydrophobicContact CG-CG2 4.18Å; V867-H880 PolarHBondContact O-CE1 2.71Å; V867-H880 VanDerWaalsContact O-CE1 3.31Å; V867-H880 PolarHBondContact O-ND1 3.44Å
868	V	84.8	Confident	83.8	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	147.5	-174.1	-64.7	0	0	0	0	110.4	Q833 L834 I836 V866 H880	Q833-V868 CarbonylContact C-O 3.54Å; Q833-V868 WeakPolarHBondContact CA-O 3.25Å; L834-V868 HydrophobicContact CB-CG2 4.26Å; L834-V868 PolarHBondContact N-O 2.82Å; L834-V868 PolarHBondContact O-N 2.77Å; I836-V868 HydrophobicContact CD1-CG2 4.49Å; V866-V868 HydrophobicContact CB-CG1 4.27Å; V866-V868 HydrophobicContact CG2-CG1 4.25Å; V868-H880 HydrophobicContact CG1-CB 3.83Å
869	P	75.2	Confident	83.8	Confident	60 Å²	60	37.2 Å²	37.2	39%	0.39	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.9	141.3	169.2	-27.6	35.1	0	0	0	112.1	E832 D871 S872	E832-P869 WeakPolarHBondContact O-CA 3.38Å; P869-D871 PolarHBondContact O-N 2.99Å; P869-D871 VanDerWaalsContact O-N 3.13Å; P869-S872 WeakPolarHBondContact CD-OG 3.32Å; P869-S872 VanDerWaalsContact O-CB 3.25Å; P869-S872 WeakPolarHBondContact O-CB 3.13Å; P869-S872 PolarHBondContact O-N 3.16Å; P869-S872 PolarHBondContact O-OG 3.14Å
870	G	67.3	Low	83.8	Confident	2 Å²	2	38.3 Å²	38.3	2%	0.021	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-11.8	-169.1	0	0	0	0	0	116.3	V830 P831 T930	V830-G870 WeakPolarHBondContact CG1-O 3.2Å; P831-G870 WeakPolarHBondContact O-CA 3.45Å; P831-G870 PolarHBondContact O-N 2.86Å; G870-T930 WeakPolarHBondContact O-CG2 3.39Å
871	D	70.3	Confident	83.7	Confident	90 Å²	90	37.4 Å²	37.4	48%	0.481	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	13.4	171.6	64.8	-26.5	0	0	0	113.4	P869 Y928	P869-D871 PolarHBondContact O-N 2.99Å; P869-D871 VanDerWaalsContact O-N 3.13Å; D871-Y928 WeakPolarHBondContact O-CD1 3.17Å; D871-Y928 WeakPolarHBondContact O-CE1 3.27Å
872	S	79.9	Confident	83.6	Confident	4 Å²	4	38.8 Å²	38.8	3%	0.028	23%	0.225	C	C	.	.			trans	-62.1	137	174.5	-58.1	0	0	0	0	112.4	P869 V929	P869-S872 WeakPolarHBondContact CD-OG 3.32Å; P869-S872 VanDerWaalsContact O-CB 3.25Å; P869-S872 WeakPolarHBondContact O-CB 3.13Å; P869-S872 PolarHBondContact O-N 3.16Å; P869-S872 PolarHBondContact O-OG 3.14Å; S872-V929 WeakPolarHBondContact O-CG2 3.27Å; S872-V929 PolarHBondContact O-N 3.35Å
873	D	85	Confident	83.4	Confident	34 Å²	34	41 Å²	41	18%	0.182	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-77.1	180	161.8	63.4	46.3	0	0	0	111.8	E875 L876 C877 N927 Y928	D873-E875 VanDerWaalsContact C-N 3.34Å; D873-E875 WeakPolarHBondContact OD1-CA 3.43Å; D873-E875 WeakPolarHBondContact OD1-CB 3.45Å; D873-E875 PolarHBondContact OD1-N 3.45Å; D873-L876 PolarHBondContact OD1-N 2.84Å; D873-C877 WeakPolarHBondContact O-CB 3.32Å; D873-C877 PolarHBondContact O-N 2.69Å; D873-C877 VanDerWaalsContact O-N 3.1Å; D873-N927 WeakPolarHBondContact CA-O 3.33Å; D873-Y928 HydrophobicContact CB-CD1 4.42Å; D873-Y928 HydrophobicContact CB-CE1 4.43Å
874	L	86.1	Confident	82.9	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-78	-16.3	-179.4	-66.2	176.3	0	0	0	114.3	C877 R878 F907 I919 E924 N927 V929 I932 I937	L874-C877 HydrophobicContact CD2-CB 4.48Å; L874-R878 VanDerWaalsContact O-CB 3.27Å; L874-R878 WeakPolarHBondContact O-CB 3.46Å; L874-R878 PolarHBondContact O-N 2.83Å; L874-F907 HydrophobicContact CB-CD2 3.96Å; L874-F907 HydrophobicContact CB-CE2 3.73Å; L874-F907 HydrophobicContact CB-CZ 4.14Å; L874-F907 HydrophobicContact CD1-CB 4.22Å; L874-F907 HydrophobicContact CD1-CD2 4.16Å; L874-F907 HydrophobicContact CD1-CG 4.15Å; L874-F907 HydrophobicContact CD2-CD1 4.02Å; L874-F907 HydrophobicContact CD2-CD2 4.41Å; L874-F907 HydrophobicContact CD2-CE1 3.97Å; L874-F907 HydrophobicContact CD2-CE2 4.38Å; L874-F907 HydrophobicContact CD2-CG 4.22Å; L874-F907 HydrophobicContact CD2-CZ 4.14Å; L874-F907 HydrophobicContact CG-CD2 4.42Å; L874-F907 HydrophobicContact CG-CE2 4.49Å; L874-F907 VanDerWaalsContact O-CE2 3.25Å; L874-F907 WeakPolarHBondContact O-CE2 3.5Å; L874-F907 WeakPolarHBondContact O-CZ 3.34Å; L874-I919 HydrophobicContact CD1-CD1 3.64Å; L874-I919 HydrophobicContact CD1-CG2 4.31Å; L874-E924 HydrophobicContact CB-CB 3.75Å; L874-E924 HydrophobicContact CB-CG 4.04Å; L874-E924 PolarHBondContact N-O 3.4Å; L874-N927 HydrophobicContact CD1-CB 3.84Å; L874-N927 HydrophobicContact CG-CB 4.41Å; L874-N927 PolarHBondContact N-O 3.25Å; L874-V929 HydrophobicContact CD2-CG2 4Å; L874-I932 HydrophobicContact CD1-CD1 3.7Å; L874-I932 HydrophobicContact CD1-CG1 4.06Å; L874-I932 HydrophobicContact CD1-CG2 4.47Å; L874-I932 HydrophobicContact CD2-CD1 3.6Å; L874-I932 HydrophobicContact CD2-CG1 3.84Å; L874-I932 HydrophobicContact CG-CD1 4.28Å; L874-I932 HydrophobicContact CG-CG1 4.44Å; L874-I937 HydrophobicContact CD2-CD1 3.85Å
875	E	84.9	Confident	82.1	Confident	87 Å²	87	42.9 Å²	42.9	41%	0.407	22%	0.224	S	C	.	.	H	α-helix	trans	-79.3	-43.5	178.6	-173.9	148.5	-139.7	0	0	110.2	D873 R878 A879 E924	D873-E875 VanDerWaalsContact C-N 3.34Å; D873-E875 WeakPolarHBondContact OD1-CA 3.43Å; D873-E875 WeakPolarHBondContact OD1-CB 3.45Å; D873-E875 PolarHBondContact OD1-N 3.45Å; E875-R878 WeakPolarHBondContact O-CB 3.45Å; E875-R878 PolarHBondContact O-N 3Å; E875-A879 PolarHBondContact O-N 3.23Å; E875-E924 HydrophobicContact CB-CB 4.31Å
876	L	84.1	Confident	81	Confident	94 Å²	94	47.1 Å²	47.1	49%	0.492	24%	0.24	S	C	.	.	H	α-helix	trans	-58.5	-47.6	164.3	-75.1	165.3	0	0	0	111.3	D873 R878 A879 H880	D873-L876 PolarHBondContact OD1-N 2.84Å; L876-R878 VanDerWaalsContact C-N 3.33Å; L876-R878 PolarHBondContact O-N 3Å; L876-A879 PolarHBondContact O-N 2.85Å; L876-A879 VanDerWaalsContact O-N 3.13Å; L876-H880 PolarHBondContact O-CD2 2.87Å; L876-H880 VanDerWaalsContact O-CD2 3.32Å; L876-H880 PolarHBondContact O-N 3.35Å
877	C	88.7	Confident	79.3	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.7	-40.3	178.9	-166.6	0	0	0	0	112.3	D873 L874 A879 H880 I881 F907 V929	D873-C877 WeakPolarHBondContact O-CB 3.32Å; D873-C877 PolarHBondContact O-N 2.69Å; D873-C877 VanDerWaalsContact O-N 3.1Å; L874-C877 HydrophobicContact CD2-CB 4.48Å; C877-A879 VanDerWaalsContact C-N 3.34Å; C877-A879 PolarHBondContact O-N 3.29Å; C877-H880 WeakPolarHBondContact O-CB 3.44Å; C877-H880 PolarHBondContact O-N 3.14Å; C877-I881 WeakPolarHBondContact O-CG1 3.49Å; C877-I881 PolarHBondContact O-N 3.49Å; C877-F907 HydrophobicContact CB-CZ 4.38Å; C877-V929 HydrophobicContact CB-CG2 3.55Å
878	R	90.3	Very high	77.5	Confident	8 Å²	8	56.6 Å²	56.6	3%	0.03	29%	0.289	C	S	.	.	H	α-helix	trans	-55.2	-47.4	172.8	168.5	178.8	-67.2	-80.2	-0.4	111.3	L874 E875 L876 H880 I881 E882 W905 F907 E924	L874-R878 VanDerWaalsContact O-CB 3.27Å; L874-R878 WeakPolarHBondContact O-CB 3.46Å; L874-R878 PolarHBondContact O-N 2.83Å; E875-R878 WeakPolarHBondContact O-CB 3.45Å; E875-R878 PolarHBondContact O-N 3Å; L876-R878 VanDerWaalsContact C-N 3.33Å; L876-R878 PolarHBondContact O-N 3Å; R878-H880 PolarHBondContact O-N 2.97Å; R878-I881 PolarHBondContact O-N 3.06Å; R878-I881 VanDerWaalsContact O-N 3.07Å; R878-E882 WeakPolarHBondContact CD-OE1 3.23Å; R878-E882 VanDerWaalsContact CG-CD 3.44Å; R878-E882 HydrophobicContact CG-CG 4.25Å; R878-E882 WeakPolarHBondContact CG-OE1 3.44Å; R878-E882 IonicContact CZ-OE1 2.81Å; R878-E882 IonicContact NH1-OE1 3.55Å; R878-E882 PolarHBondContact NH1-OE1 3.12Å; R878-E882 WeakPolarHBondContact O-CB 3.3Å; R878-E882 WeakPolarHBondContact O-CG 3.27Å; R878-E882 PolarHBondContact O-N 3.17Å; R878-W905 HydrophobicContact CB-CH2 4.12Å; R878-W905 HydrophobicContact CB-CZ2 4.27Å; R878-W905 HydrophobicContact CG-CH2 4.14Å; R878-W905 HydrophobicContact CG-CZ2 3.83Å; R878-W905 VanDerWaalsContact NH1-CZ2 3.31Å; R878-W905 PolarHBondContact NH2-O 2.99Å; R878-F907 HydrophobicContact CB-CE2 4.09Å; R878-F907 HydrophobicContact CB-CZ 4.1Å; R878-E924 IonicContact CZ-OE1 3.33Å; R878-E924 IonicContact CZ-OE2 3.27Å; R878-E924 IonicContact NE-OE1 2.75Å; R878-E924 IonicContact NE-OE2 3.57Å; R878-E924 PolarHBondContact NE-OE2 3.23Å; R878-E924 IonicContact NH2-OE1 2.69Å; R878-E924 PolarHBondContact NH2-OE1 2.92Å; R878-E924 IonicContact NH2-OE2 2.7Å; R878-E924 PolarHBondContact NH2-OE2 3.18Å
879	A	85.1	Confident	75.5	Confident	43 Å²	43	65.4 Å²	65.4	36%	0.355	34%	0.336	S	S	.	.	H	α-helix	trans	-64.3	-21.7	177.7	0	0	0	0	0	113.6	E875 L876 C877 R883	E875-A879 PolarHBondContact O-N 3.23Å; L876-A879 PolarHBondContact O-N 2.85Å; L876-A879 VanDerWaalsContact O-N 3.13Å; C877-A879 VanDerWaalsContact C-N 3.34Å; C877-A879 PolarHBondContact O-N 3.29Å; A879-R883 PolarHBondContact O-NE 3.37Å; A879-R883 PolarHBondContact O-NH2 2.98Å
880	H	83.4	Confident	74	Confident	49 Å²	49	65.3 Å²	65.3	23%	0.227	35%	0.346	C	S	.	.	H	α-helix	trans	-81.3	-39.7	168.9	-77.5	-115	0	0	0	112.1	V866 V867 V868 L876 C877 R878 R883 L884	V866-H880 HydrophobicContact CB-CB 4.26Å; V866-H880 HydrophobicContact CG1-CB 3.93Å; V867-H880 PolarHBondContact O-CE1 2.71Å; V867-H880 VanDerWaalsContact O-CE1 3.31Å; V867-H880 PolarHBondContact O-ND1 3.44Å; V868-H880 HydrophobicContact CG1-CB 3.83Å; L876-H880 PolarHBondContact O-CD2 2.87Å; L876-H880 VanDerWaalsContact O-CD2 3.32Å; L876-H880 PolarHBondContact O-N 3.35Å; C877-H880 WeakPolarHBondContact O-CB 3.44Å; C877-H880 PolarHBondContact O-N 3.14Å; R878-H880 PolarHBondContact O-N 2.97Å; H880-R883 PolarHBondContact CD2-NH2 3.03Å; H880-R883 PolarHBondContact NE2-NH2 2.85Å; H880-R883 PolarHBondContact O-N 2.85Å; H880-L884 PolarHBondContact O-N 2.54Å
881	I	88.3	Confident	72.7	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-66.1	-39.7	177.2	-66.6	173.1	0	0	0	111.5	V838 L863 V866 C877 R878 R883 L884 L901 W905 F907 I939	V838-I881 HydrophobicContact CG1-CD1 4.04Å; V838-I881 HydrophobicContact CG1-CG1 4.3Å; V838-I881 HydrophobicContact CG1-CG2 4.3Å; V838-I881 HydrophobicContact CG2-CD1 4.2Å; V838-I881 HydrophobicContact CG2-CG1 4Å; L863-I881 HydrophobicContact CD2-CG2 4.08Å; V866-I881 HydrophobicContact CG1-CB 4.49Å; V866-I881 HydrophobicContact CG1-CG1 3.7Å; C877-I881 WeakPolarHBondContact O-CG1 3.49Å; C877-I881 PolarHBondContact O-N 3.49Å; R878-I881 PolarHBondContact O-N 3.06Å; R878-I881 VanDerWaalsContact O-N 3.07Å; I881-R883 VanDerWaalsContact C-N 3.32Å; I881-L884 WeakPolarHBondContact O-CB 3.43Å; I881-L884 PolarHBondContact O-N 3.4Å; I881-L901 HydrophobicContact CG2-CD1 4.1Å; I881-W905 HydrophobicContact CB-CH2 4.27Å; I881-W905 HydrophobicContact CB-CZ2 4.17Å; I881-W905 HydrophobicContact CD1-CH2 3.97Å; I881-W905 HydrophobicContact CG2-CH2 4.09Å; I881-W905 HydrophobicContact CG2-CZ2 3.82Å; I881-F907 HydrophobicContact CD1-CE1 3.6Å; I881-F907 HydrophobicContact CD1-CZ 4Å; I881-I939 HydrophobicContact CD1-CG2 4.44Å; I881-I939 HydrophobicContact CG2-CD1 4.5Å
882	E	85.3	Confident	71.5	Confident	66 Å²	66	70.2 Å²	70.2	31%	0.308	41%	0.408	S	S	.	.	H	α-helix	trans	-72.6	-27.2	178.9	-70.3	170.8	-177.7	0	0	111.5	R878 Q885 W905	R878-E882 WeakPolarHBondContact CD-OE1 3.23Å; R878-E882 VanDerWaalsContact CG-CD 3.44Å; R878-E882 HydrophobicContact CG-CG 4.25Å; R878-E882 WeakPolarHBondContact CG-OE1 3.44Å; R878-E882 IonicContact CZ-OE1 2.81Å; R878-E882 IonicContact NH1-OE1 3.55Å; R878-E882 PolarHBondContact NH1-OE1 3.12Å; R878-E882 WeakPolarHBondContact O-CB 3.3Å; R878-E882 WeakPolarHBondContact O-CG 3.27Å; R878-E882 PolarHBondContact O-N 3.17Å; E882-Q885 WeakPolarHBondContact O-CB 3.35Å; E882-Q885 PolarHBondContact O-N 3.27Å; E882-W905 HydrophobicContact CG-CZ2 4.07Å; E882-W905 PolarHBondContact OE1-NE1 3.09Å; E882-W905 VanDerWaalsContact OE1-NE1 3.11Å
883	R	80.5	Confident	69.5	Low	132 Å²	132	74.6 Å²	74.6	50%	0.498	44%	0.444	S	S	.	.	H	α-helix	trans	-70.6	-27.4	168	-87.9	179.6	-73.7	159.2	-4	114.1	A879 H880 I881 Q885 Q886	A879-R883 PolarHBondContact O-NE 3.37Å; A879-R883 PolarHBondContact O-NH2 2.98Å; H880-R883 PolarHBondContact CD2-NH2 3.03Å; H880-R883 PolarHBondContact NE2-NH2 2.85Å; H880-R883 PolarHBondContact O-N 2.85Å; I881-R883 VanDerWaalsContact C-N 3.32Å; R883-Q885 PolarHBondContact O-N 2.71Å; R883-Q886 PolarHBondContact O-N 3.08Å
884	L	75.2	Confident	67.3	Low	65 Å²	65	83.2 Å²	83.2	34%	0.34	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-7.7	169.6	-67.6	-179.9	0	0	0	113.3	V838 V866 H880 I881	V838-L884 HydrophobicContact CG2-CD1 4.5Å; V866-L884 HydrophobicContact CG1-CD1 3.54Å; V866-L884 HydrophobicContact CG1-CG 4.04Å; H880-L884 PolarHBondContact O-N 2.54Å; I881-L884 WeakPolarHBondContact O-CB 3.43Å; I881-L884 PolarHBondContact O-N 3.4Å
885	Q	67.6	Low	64.9	Low	49 Å²	49	87.8 Å²	87.8	23%	0.229	51%	0.512	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-1	173.5	-48.2	-129.6	-73.5	0	0	112.7	E882 R883	E882-Q885 WeakPolarHBondContact O-CB 3.35Å; E882-Q885 PolarHBondContact O-N 3.27Å; R883-Q885 PolarHBondContact O-N 2.71Å
886	Q	64.2	Low	62.9	Low	144 Å²	144	89.6 Å²	89.6	67%	0.673	53%	0.531	S	S	*	.			trans	-120	61	-175	-60.7	-177.9	8.3	0	0	110.6	R883	R883-Q886 PolarHBondContact O-N 3.08Å
887	E	54.2	Low	61.1	Low	158 Å²	158	89.3 Å²	89.3	74%	0.738	53%	0.534	S	S	*	.			trans	-66.4	141.5	168.5	-81.1	-68.8	115.6	0	0	110.6
888	P	48	Very low	59.1	Low	103 Å²	103	94.8 Å²	94.8	67%	0.669	57%	0.571	S	S	*	*			trans	-68.5	153.3	169.8	-12.6	27.9	0	0	0	111.4	G890	P888-G890 VanDerWaalsContact C-N 3.26Å; P888-G890 PolarHBondContact O-N 3.37Å
889	D	41.6	Very low	57.6	Low	185 Å²	185	99.4 Å²	99.4	99%	0.989	59%	0.592	S	S	*	*	S	Bend	trans	-68.5	82.2	168.7	-91.9	-51.5	0	0	0	110.9
890	G	44.5	Very low	57	Low	58 Å²	58	106.2 Å²	106.2	60%	0.598	61%	0.614	S	S	*	*			trans	-154.5	114.4	-175.8	0	0	0	0	0	114.4	P888	P888-G890 VanDerWaalsContact C-N 3.26Å; P888-G890 PolarHBondContact O-N 3.37Å
891	A	39.7	Very low	56.9	Low	110 Å²	110	104.4 Å²	104.4	91%	0.909	61%	0.606	S	S	*	*	S	Bend	trans	61.2	54.8	159.2	0	0	0	0	0	119.4
892	G	46.1	Very low	56.5	Low	86 Å²	86	104.5 Å²	104.5	89%	0.887	61%	0.606	S	S	*	*				73.8	52.3	118.3	0	0	0	0	0	120.7
893	A	37.8	Very low	56	Low	96 Å²	96	106.3 Å²	106.3	79%	0.793	62%	0.624	S	S	*	*			trans	-142.5	99.9	158.5	0	0	0	0	0	112.3	S895	A893-S895 PolarHBondContact O-N 3.17Å; A893-S895 VanDerWaalsContact O-N 3.08Å
894	K	37.5	Very low	56.1	Low	214 Å²	214	107.6 Å²	107.6	93%	0.93	63%	0.633	S	S	*	*			trans	-78.6	92.4	-178.9	-72.8	-170.3	175.8	-176.2	0	112.4
895	S	36.1	Very low	56.8	Low	96 Å²	96	104.8 Å²	104.8	67%	0.671	62%	0.618	S	S	*	*			trans	-76.6	127.6	166.9	-173.2	0	0	0	0	111.2	A893 T897	A893-S895 PolarHBondContact O-N 3.17Å; A893-S895 VanDerWaalsContact O-N 3.08Å; S895-T897 PolarHBondContact O-N 2.85Å; S895-T897 VanDerWaalsContact O-N 3.13Å
896	P	42.9	Very low	57.9	Low	125 Å²	125	102.9 Å²	102.9	81%	0.812	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	39.6	-163.2	36.2	-38.8	0	0	0	116.2
897	T	45.8	Very low	59.3	Low	89 Å²	89	96 Å²	96	55%	0.546	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-144	29.5	173.2	51.9	0	0	0	0	115.9	S895 Q899	S895-T897 PolarHBondContact O-N 2.85Å; S895-T897 VanDerWaalsContact O-N 3.13Å; T897-Q899 PolarHBondContact O-N 3.04Å
898	C	46.8	Very low	61	Low	115 Å²	115	88.5 Å²	88.5	78%	0.777	54%	0.543	S	S	*	.			trans	-74.7	75.3	171.6	-162.7	0	0	0	0	111.9
899	Q	59.7	Low	62.8	Low	104 Å²	104	84.3 Å²	84.3	49%	0.486	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-88	120.3	164.9	-74.2	167.5	-29	0	0	108.5	R840 T897	R840-Q899 PolarHBondContact NH1-O 3.29Å; R840-Q899 VanDerWaalsContact NH1-O 3.12Å; T897-Q899 PolarHBondContact O-N 3.04Å
900	K	72	Confident	64.5	Low	186 Å²	186	76 Å²	76	81%	0.809	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-55.3	139.2	172.5	-168.1	173.8	-176.7	175.4	0	110.2
901	L	80.5	Confident	65.6	Low	11 Å²	11	74.4 Å²	74.4	6%	0.058	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-72.3	146.4	178.6	-68	170.2	0	0	0	110.9	L863 I881 W905 I939 D941	L863-L901 HydrophobicContact CD1-CD2 4.32Å; L863-L901 HydrophobicContact CD2-CD1 3.9Å; L863-L901 HydrophobicContact CD2-CD2 4.4Å; L863-L901 HydrophobicContact CD2-CG 4.43Å; I881-L901 HydrophobicContact CG2-CD1 4.1Å; L901-W905 HydrophobicContact CB-CG 4.29Å; L901-W905 HydrophobicContact CD1-CD2 4.37Å; L901-W905 HydrophobicContact CD1-CG 4.27Å; L901-I939 HydrophobicContact CD1-CD1 3.71Å; L901-I939 HydrophobicContact CD2-CD1 3.71Å; L901-I939 HydrophobicContact CG-CD1 4.39Å; L901-D941 WeakPolarHBondContact CA-OD2 3.48Å; L901-D941 WeakPolarHBondContact CD2-OD2 3.42Å
902	S	79.5	Confident	66.6	Low	2 Å²	2	70 Å²	70	1%	0.014	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-54.7	135.3	168.5	169.5	0	0	0	0	110.9	K904 W905 D941 E943	S902-K904 PolarHBondContact O-N 2.95Å; S902-K904 PolarHBondContact OG-N 3.22Å; S902-K904 VanDerWaalsContact OG-N 3.09Å; S902-W905 WeakPolarHBondContact O-CB 3.49Å; S902-W905 PolarHBondContact O-N 3.48Å; S902-D941 WeakPolarHBondContact CB-OD1 3.45Å; S902-D941 PolarHBondContact N-OD2 3.15Å; S902-E943 VanDerWaalsContact CB-OE1 3.3Å; S902-E943 WeakPolarHBondContact CB-OE1 3.47Å; S902-E943 PolarHBondContact OG-OE1 3.31Å
903	P	75.6	Confident	66.8	Low	105 Å²	105	69.6 Å²	69.6	68%	0.682	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-2.4	173.7	28.2	-35.6	0	0	0	113.9
904	K	82.3	Confident	67.8	Low	158 Å²	158	68.8 Å²	68.8	69%	0.687	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	12.8	176.9	-63	162.4	-175	164	0	112.6	S902 P942	S902-K904 PolarHBondContact O-N 2.95Å; S902-K904 PolarHBondContact OG-N 3.22Å; S902-K904 VanDerWaalsContact OG-N 3.09Å; K904-P942 HydrophobicContact CB-CG 4.4Å
905	W	90.6	Very high	69.4	Low	7 Å²	7	61.7 Å²	61.7	3%	0.027	36%	0.357	C	S	.	.			trans	-63.5	142.4	177.6	80.1	-102.1	0	0	0	112.2	R878 I881 E882 L901 S902 F907 I939 L940	R878-W905 HydrophobicContact CB-CH2 4.12Å; R878-W905 HydrophobicContact CB-CZ2 4.27Å; R878-W905 HydrophobicContact CG-CH2 4.14Å; R878-W905 HydrophobicContact CG-CZ2 3.83Å; R878-W905 VanDerWaalsContact NH1-CZ2 3.31Å; R878-W905 PolarHBondContact NH2-O 2.99Å; I881-W905 HydrophobicContact CB-CH2 4.27Å; I881-W905 HydrophobicContact CB-CZ2 4.17Å; I881-W905 HydrophobicContact CD1-CH2 3.97Å; I881-W905 HydrophobicContact CG2-CH2 4.09Å; I881-W905 HydrophobicContact CG2-CZ2 3.82Å; E882-W905 HydrophobicContact CG-CZ2 4.07Å; E882-W905 PolarHBondContact OE1-NE1 3.09Å; E882-W905 VanDerWaalsContact OE1-NE1 3.11Å; L901-W905 HydrophobicContact CB-CG 4.29Å; L901-W905 HydrophobicContact CD1-CD2 4.37Å; L901-W905 HydrophobicContact CD1-CG 4.27Å; S902-W905 WeakPolarHBondContact O-CB 3.49Å; S902-W905 PolarHBondContact O-N 3.48Å; W905-F907 HydrophobicContact CH2-CD2 4.42Å; W905-F907 AromaticContact CH2-CE1 3.89Å; W905-F907 HydrophobicContact CH2-CE1 3.89Å; W905-F907 AromaticContact CH2-CE2 3.75Å; W905-F907 HydrophobicContact CH2-CE2 3.75Å; W905-F907 AromaticContact CH2-CZ 3.46Å; W905-F907 HydrophobicContact CH2-CZ 3.46Å; W905-F907 VanDerWaalsContact CH2-CZ 3.46Å; W905-F907 AromaticContact CZ3-CD1 3.99Å; W905-F907 HydrophobicContact CZ3-CD1 3.99Å; W905-F907 AromaticContact CZ3-CD2 3.91Å; W905-F907 HydrophobicContact CZ3-CD2 3.91Å; W905-F907 AromaticContact CZ3-CE1 3.79Å; W905-F907 HydrophobicContact CZ3-CE1 3.79Å; W905-F907 AromaticContact CZ3-CE2 3.69Å; W905-F907 HydrophobicContact CZ3-CE2 3.69Å; W905-F907 HydrophobicContact CZ3-CG 4.06Å; W905-F907 AromaticContact CZ3-CZ 3.66Å; W905-F907 HydrophobicContact CZ3-CZ 3.66Å; W905-I939 HydrophobicContact CD2-CD1 4.43Å; W905-I939 HydrophobicContact CE3-CB 3.75Å; W905-I939 HydrophobicContact CE3-CD1 4.28Å; W905-I939 HydrophobicContact CE3-CG2 3.71Å; W905-I939 HydrophobicContact CH2-CG2 4.2Å; W905-I939 HydrophobicContact CZ3-CB 4.01Å; W905-I939 HydrophobicContact CZ3-CG2 3.4Å; W905-L940 WeakPolarHBondContact CA-O 3.47Å
906	C	90.9	Very high	71.6	Confident	9 Å²	9	57.1 Å²	57.1	6%	0.061	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	154	-177.8	60.7	0	0	0	0	112.5	I919 I939 L940	C906-I919 WeakPolarHBondContact CB-O 3.44Å; C906-I939 WeakPolarHBondContact O-CA 3.46Å; C906-L940 PolarHBondContact N-O 3.12Å; C906-L940 PolarHBondContact O-N 3.22Å
907	F	93.5	Very high	73.5	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	154.7	-179.6	-67.1	-84.7	0	0	0	113	L874 C877 R878 I881 W905 I919 E924 I932 I937 I939	L874-F907 HydrophobicContact CB-CD2 3.96Å; L874-F907 HydrophobicContact CB-CE2 3.73Å; L874-F907 HydrophobicContact CB-CZ 4.14Å; L874-F907 HydrophobicContact CD1-CB 4.22Å; L874-F907 HydrophobicContact CD1-CD2 4.16Å; L874-F907 HydrophobicContact CD1-CG 4.15Å; L874-F907 HydrophobicContact CD2-CD1 4.02Å; L874-F907 HydrophobicContact CD2-CD2 4.41Å; L874-F907 HydrophobicContact CD2-CE1 3.97Å; L874-F907 HydrophobicContact CD2-CE2 4.38Å; L874-F907 HydrophobicContact CD2-CG 4.22Å; L874-F907 HydrophobicContact CD2-CZ 4.14Å; L874-F907 HydrophobicContact CG-CD2 4.42Å; L874-F907 HydrophobicContact CG-CE2 4.49Å; L874-F907 VanDerWaalsContact O-CE2 3.25Å; L874-F907 WeakPolarHBondContact O-CE2 3.5Å; L874-F907 WeakPolarHBondContact O-CZ 3.34Å; C877-F907 HydrophobicContact CB-CZ 4.38Å; R878-F907 HydrophobicContact CB-CE2 4.09Å; R878-F907 HydrophobicContact CB-CZ 4.1Å; I881-F907 HydrophobicContact CD1-CE1 3.6Å; I881-F907 HydrophobicContact CD1-CZ 4Å; W905-F907 HydrophobicContact CH2-CD2 4.42Å; W905-F907 AromaticContact CH2-CE1 3.89Å; W905-F907 HydrophobicContact CH2-CE1 3.89Å; W905-F907 AromaticContact CH2-CE2 3.75Å; W905-F907 HydrophobicContact CH2-CE2 3.75Å; W905-F907 AromaticContact CH2-CZ 3.46Å; W905-F907 HydrophobicContact CH2-CZ 3.46Å; W905-F907 VanDerWaalsContact CH2-CZ 3.46Å; W905-F907 AromaticContact CZ3-CD1 3.99Å; W905-F907 HydrophobicContact CZ3-CD1 3.99Å; W905-F907 AromaticContact CZ3-CD2 3.91Å; W905-F907 HydrophobicContact CZ3-CD2 3.91Å; W905-F907 AromaticContact CZ3-CE1 3.79Å; W905-F907 HydrophobicContact CZ3-CE1 3.79Å; W905-F907 AromaticContact CZ3-CE2 3.69Å; W905-F907 HydrophobicContact CZ3-CE2 3.69Å; W905-F907 HydrophobicContact CZ3-CG 4.06Å; W905-F907 AromaticContact CZ3-CZ 3.66Å; W905-F907 HydrophobicContact CZ3-CZ 3.66Å; F907-I919 HydrophobicContact CB-CB 4.25Å; F907-I919 HydrophobicContact CB-CD1 4.08Å; F907-I919 PolarHBondContact O-N 2.88Å; F907-E924 HydrophobicContact CD2-CG 3.91Å; F907-E924 WeakPolarHBondContact CD2-OE1 3.32Å; F907-E924 HydrophobicContact CE2-CG 4.18Å; F907-I932 HydrophobicContact CB-CD1 4.21Å; F907-I932 HydrophobicContact CD1-CD1 4.39Å; F907-I937 HydrophobicContact CD1-CD1 3.66Å; F907-I937 HydrophobicContact CD1-CG1 4.03Å; F907-I937 HydrophobicContact CE1-CD1 3.56Å; F907-I937 HydrophobicContact CE1-CG1 4.3Å; F907-I939 HydrophobicContact CD1-CG2 3.91Å; F907-I939 HydrophobicContact CE1-CG2 4.18Å
908	L	89.4	Confident	75.5	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	118.7	173.2	-62.9	179.8	0	0	0	111.2	V841 Y846 A910 F916 Y917 R918 Y938 L940	V841-L908 HydrophobicContact CB-CD1 4.24Å; V841-L908 HydrophobicContact CG2-CD1 4.18Å; Y846-L908 HydrophobicContact CD2-CD1 4.1Å; Y846-L908 HydrophobicContact CD2-CD2 4.08Å; Y846-L908 HydrophobicContact CE2-CD1 4.37Å; Y846-L908 HydrophobicContact CE2-CD2 3.66Å; L908-A910 PolarHBondContact O-N 2.57Å; L908-A910 VanDerWaalsContact O-N 3.16Å; L908-F916 HydrophobicContact CB-CB 4.42Å; L908-F916 HydrophobicContact CB-CD1 3.86Å; L908-F916 HydrophobicContact CD1-CD1 4.36Å; L908-Y917 CarbonylContact C-O 3.44Å; L908-Y917 WeakPolarHBondContact CA-O 3.49Å; L908-R918 HydrophobicContact CD2-CB 4.42Å; L908-R918 HydrophobicContact CD2-CG 3.7Å; L908-Y938 PolarHBondContact N-O 3.39Å; L908-L940 HydrophobicContact CD1-CB 4.13Å; L908-L940 HydrophobicContact CD2-CB 3.92Å; L908-L940 HydrophobicContact CD2-CD2 4.2Å; L908-L940 HydrophobicContact CG-CB 3.98Å
909	D	86.7	Confident	77.2	Confident	14 Å²	14	50.8 Å²	50.8	8%	0.075	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	114.6	167.1	163.2	13.9	0	0	0	109.7	K593 T911 T912 F916 Y917 I919	K593-D909 IonicContact NZ-OD2 3.79Å; D909-T911 PolarHBondContact OD1-N 2.96Å; D909-T911 PolarHBondContact OD1-OG1 2.94Å; D909-T912 PolarHBondContact OD1-N 3.38Å; D909-T912 VanDerWaalsContact OD2-CB 3.28Å; D909-T912 WeakPolarHBondContact OD2-CB 3.47Å; D909-T912 PolarHBondContact OD2-OG1 3.42Å; D909-F916 WeakPolarHBondContact O-CA 3.28Å; D909-Y917 PolarHBondContact N-O 2.92Å; D909-Y917 PolarHBondContact O-N 3.12Å; D909-I919 HydrophobicContact CB-CD1 4.28Å; D909-I919 HydrophobicContact CB-CG1 4.46Å
910	A	76.8	Confident	78.1	Confident	10 Å²	10	49.9 Å²	49.9	8%	0.083	26%	0.258	C	S	.	.			trans	-102.2	-5.5	177.1	0	0	0	0	0	113.6	K853 L908 F916 I932 Y938	K853-A910 WeakPolarHBondContact CE-O 3.46Å; K853-A910 PolarHBondContact NZ-O 2.89Å; L908-A910 PolarHBondContact O-N 2.57Å; L908-A910 VanDerWaalsContact O-N 3.16Å; A910-F916 HydrophobicContact CB-CD1 4.03Å; A910-F916 HydrophobicContact CB-CE1 3.56Å; A910-F916 HydrophobicContact CB-CZ 4.46Å; A910-I932 WeakPolarHBondContact CB-O 3.46Å; A910-I932 PolarHBondContact N-O 3.43Å; A910-I932 VanDerWaalsContact N-O 3.12Å; A910-Y938 HydrophobicContact CB-CD2 3.73Å; A910-Y938 HydrophobicContact CB-CE2 3.88Å
911	T	68	Low	78.4	Confident	26 Å²	26	47.9 Å²	47.9	16%	0.16	25%	0.245	C	C	.	.	S	Bend	trans	-91.2	-17.6	-178.1	72.8	0	0	0	0	113.5	R817 D909 E931	R817-T911 PolarHBondContact NH1-O 3.16Å; D909-T911 PolarHBondContact OD1-N 2.96Å; D909-T911 PolarHBondContact OD1-OG1 2.94Å; T911-E931 WeakPolarHBondContact CG2-O 3.16Å; T911-E931 PolarHBondContact OG1-O 2.89Å
912	T	61	Low	78	Confident	16 Å²	16	51.2 Å²	51.2	10%	0.098	27%	0.274	C	S	.	.	S	Bend	trans	-67.1	142.6	173	-66.5	0	0	0	0	112	K593 D909 S914 Y917	K593-T912 PolarHBondContact NZ-OG1 2.91Å; K593-T912 VanDerWaalsContact NZ-OG1 3.08Å; D909-T912 PolarHBondContact OD1-N 3.38Å; D909-T912 VanDerWaalsContact OD2-CB 3.28Å; D909-T912 WeakPolarHBondContact OD2-CB 3.47Å; D909-T912 PolarHBondContact OD2-OG1 3.42Å; T912-S914 PolarHBondContact O-N 3.3Å; T912-Y917 HydrophobicContact CG2-CD2 3.99Å; T912-Y917 HydrophobicContact CG2-CE2 3.37Å
913	A	49.7	Very low	77.6	Confident	78 Å²	78	54.8 Å²	54.8	65%	0.645	29%	0.291	S	S	*	.	S	Bend	trans	-79.5	3.8	-156	0	0	0	0	0	117.9
914	S	57.6	Low	77.8	Confident	79 Å²	79	49.8 Å²	49.8	55%	0.552	26%	0.258	S	S	*	.	S	Bend	trans	-151.8	-4.9	-167	60.6	0	0	0	0	117.1	T912	T912-S914 PolarHBondContact O-N 3.3Å
915	R	72.4	Confident	77.4	Confident	66 Å²	66	46.8 Å²	46.8	25%	0.249	25%	0.246	C	C	.	.	S	Bend	trans	-176.3	165.3	173	57	177.9	-157.1	172.8	9.1	109.2	H850 Y851 Y917	H850-R915 WeakPolarHBondContact O-CA 3.45Å; H850-R915 WeakPolarHBondContact O-CB 3.46Å; Y851-R915 PolarHBondContact OH-NH1 3.02Å; R915-Y917 HydrophobicContact CG-CD2 3.89Å; R915-Y917 HydrophobicContact CG-CE2 3.33Å; R915-Y917 VanDerWaalsContact NE-CZ 3.29Å; R915-Y917 VanDerWaalsContact NH2-CE1 3.32Å; R915-Y917 WeakPolarHBondContact O-CD2 3.42Å
916	F	81.2	Confident	76.4	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.268	C	S	.	.			trans	-70.5	152.2	161.8	-69.6	-91.9	0	0	0	111.2	Y846 K853 L856 K857 L908 D909 A910 Y938	Y846-F916 HydrophobicContact CE2-CB 4.23Å; K853-F916 HydrophobicContact CB-CE2 4.37Å; K853-F916 HydrophobicContact CG-CD2 4.08Å; K853-F916 HydrophobicContact CG-CE2 3.55Å; K853-F916 HydrophobicContact CG-CZ 4.13Å; L856-F916 HydrophobicContact CB-CD2 4.28Å; L856-F916 HydrophobicContact CB-CE2 4Å; L856-F916 HydrophobicContact CD2-CB 4.32Å; L856-F916 HydrophobicContact CD2-CD2 3.39Å; L856-F916 HydrophobicContact CD2-CE2 3.77Å; L856-F916 HydrophobicContact CD2-CG 3.96Å; L856-F916 HydrophobicContact CG-CD2 4.36Å; L856-F916 HydrophobicContact CG-CE2 4.31Å; K857-F916 HydrophobicContact CG-CZ 4.1Å; L908-F916 HydrophobicContact CB-CB 4.42Å; L908-F916 HydrophobicContact CB-CD1 3.86Å; L908-F916 HydrophobicContact CD1-CD1 4.36Å; D909-F916 WeakPolarHBondContact O-CA 3.28Å; A910-F916 HydrophobicContact CB-CD1 4.03Å; A910-F916 HydrophobicContact CB-CE1 3.56Å; A910-F916 HydrophobicContact CB-CZ 4.46Å; F916-Y938 HydrophobicContact CE1-CD1 4.41Å; F916-Y938 AromaticContact CE1-CD2 3.54Å; F916-Y938 HydrophobicContact CE1-CD2 3.54Å; F916-Y938 AromaticContact CE1-CE2 3.98Å; F916-Y938 HydrophobicContact CE1-CE2 3.98Å; F916-Y938 AromaticContact CE1-CG 3.75Å; F916-Y938 HydrophobicContact CE1-CG 3.75Å; F916-Y938 HydrophobicContact CZ-CD1 4.47Å; F916-Y938 HydrophobicContact CZ-CD2 4.12Å; F916-Y938 HydrophobicContact CZ-CE2 4.19Å; F916-Y938 HydrophobicContact CZ-CG 4.23Å
917	Y	83	Confident	75.6	Confident	81 Å²	81	52.4 Å²	52.4	32%	0.318	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	132.7	172.5	-69.9	-111.3	0	0	0	109.2	L908 D909 T912 R915	L908-Y917 CarbonylContact C-O 3.44Å; L908-Y917 WeakPolarHBondContact CA-O 3.49Å; D909-Y917 PolarHBondContact N-O 2.92Å; D909-Y917 PolarHBondContact O-N 3.12Å; T912-Y917 HydrophobicContact CG2-CD2 3.99Å; T912-Y917 HydrophobicContact CG2-CE2 3.37Å; R915-Y917 HydrophobicContact CG-CD2 3.89Å; R915-Y917 HydrophobicContact CG-CE2 3.33Å; R915-Y917 VanDerWaalsContact NE-CZ 3.29Å; R915-Y917 VanDerWaalsContact NH2-CE1 3.32Å; R915-Y917 WeakPolarHBondContact O-CD2 3.42Å
918	R	87.3	Confident	75	Confident	107 Å²	107	56.7 Å²	56.7	40%	0.404	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	137.7	170	-70	172.2	61.7	161.3	-3.6	110.6	Y846 L908 L940	Y846-R918 HydrophobicContact CE1-CG 4.41Å; Y846-R918 HydrophobicContact CE2-CG 4.4Å; L908-R918 HydrophobicContact CD2-CB 4.42Å; L908-R918 HydrophobicContact CD2-CG 3.7Å; R918-L940 VanDerWaalsContact CD-CD2 3.44Å; R918-L940 HydrophobicContact CG-CD2 3.6Å
919	I	83.6	Confident	74.6	Confident	7 Å²	7	56.7 Å²	56.7	4%	0.036	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-103.8	121.9	168.8	-59.2	168.9	0	0	0	105.9	L874 C906 F907 D909 Q923 E924 I932	L874-I919 HydrophobicContact CD1-CD1 3.64Å; L874-I919 HydrophobicContact CD1-CG2 4.31Å; C906-I919 WeakPolarHBondContact CB-O 3.44Å; F907-I919 HydrophobicContact CB-CB 4.25Å; F907-I919 HydrophobicContact CB-CD1 4.08Å; F907-I919 PolarHBondContact O-N 2.88Å; D909-I919 HydrophobicContact CB-CD1 4.28Å; D909-I919 HydrophobicContact CB-CG1 4.46Å; I919-Q923 HydrophobicContact CG2-CB 3.92Å; I919-E924 HydrophobicContact CG2-CG 4.34Å; I919-I932 HydrophobicContact CD1-CB 4.26Å; I919-I932 HydrophobicContact CD1-CD1 3.87Å; I919-I932 HydrophobicContact CD1-CG1 4.5Å; I919-I932 HydrophobicContact CD1-CG2 3.77Å
920	D	79.3	Confident	74.3	Confident	86 Å²	86	58.8 Å²	58.8	46%	0.46	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-76.9	147.6	177.8	-62.3	-49.8	0	0	0	109.9	A922 Q923	D920-A922 PolarHBondContact O-N 3.35Å; D920-Q923 HydrophobicContact CB-CG 4.49Å; D920-Q923 WeakPolarHBondContact O-CA 3.3Å; D920-Q923 VanDerWaalsContact O-CB 3.31Å; D920-Q923 WeakPolarHBondContact O-CB 3.39Å; D920-Q923 PolarHBondContact O-N 2.99Å
921	R	77.2	Confident	74.2	Confident	143 Å²	143	61.4 Å²	61.4	54%	0.54	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-52	-37.7	-174.2	-171.1	172.3	175.5	153.9	-0.2	113.8	Q923 E924	R921-Q923 PolarHBondContact O-N 3.08Å; R921-E924 WeakPolarHBondContact O-CB 3.31Å; R921-E924 PolarHBondContact O-N 2.92Å; R921-E924 VanDerWaalsContact O-N 3.13Å
922	A	72.3	Confident	74.7	Confident	81 Å²	81	60.3 Å²	60.3	67%	0.669	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-68.5	4.7	175.2	0	0	0	0	0	115.3	D920 H925	D920-A922 PolarHBondContact O-N 3.35Å; A922-H925 PolarHBondContact O-CE1 3.4Å
923	Q	71.4	Confident	75.1	Confident	78 Å²	78	59.7 Å²	59.7	36%	0.364	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-117.9	0.1	175.8	-55.9	174.3	4.9	0	0	112.1	I919 D920 R921 L926 N927	I919-Q923 HydrophobicContact CG2-CB 3.92Å; D920-Q923 HydrophobicContact CB-CG 4.49Å; D920-Q923 WeakPolarHBondContact O-CA 3.3Å; D920-Q923 VanDerWaalsContact O-CB 3.31Å; D920-Q923 WeakPolarHBondContact O-CB 3.39Å; D920-Q923 PolarHBondContact O-N 2.99Å; R921-Q923 PolarHBondContact O-N 3.08Å; Q923-L926 WeakPolarHBondContact O-CB 3.32Å; Q923-L926 PolarHBondContact O-N 3.48Å; Q923-N927 PolarHBondContact O-ND2 3Å
924	E	79.9	Confident	75.7	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-67.9	-43.1	-173.1	-71.3	176	-172.8	0	0	111.5	L874 E875 R878 F907 I919 R921 L926 N927	L874-E924 HydrophobicContact CB-CB 3.75Å; L874-E924 HydrophobicContact CB-CG 4.04Å; L874-E924 PolarHBondContact N-O 3.4Å; E875-E924 HydrophobicContact CB-CB 4.31Å; R878-E924 IonicContact CZ-OE1 3.33Å; R878-E924 IonicContact CZ-OE2 3.27Å; R878-E924 IonicContact NE-OE1 2.75Å; R878-E924 IonicContact NE-OE2 3.57Å; R878-E924 PolarHBondContact NE-OE2 3.23Å; R878-E924 IonicContact NH2-OE1 2.69Å; R878-E924 PolarHBondContact NH2-OE1 2.92Å; R878-E924 IonicContact NH2-OE2 2.7Å; R878-E924 PolarHBondContact NH2-OE2 3.18Å; F907-E924 HydrophobicContact CD2-CG 3.91Å; F907-E924 WeakPolarHBondContact CD2-OE1 3.32Å; F907-E924 HydrophobicContact CE2-CG 4.18Å; I919-E924 HydrophobicContact CG2-CG 4.34Å; R921-E924 WeakPolarHBondContact O-CB 3.31Å; R921-E924 PolarHBondContact O-N 2.92Å; R921-E924 VanDerWaalsContact O-N 3.13Å; E924-L926 PolarHBondContact O-N 2.91Å; E924-L926 VanDerWaalsContact O-N 3.07Å; E924-N927 PolarHBondContact O-N 3.46Å
925	H	73.3	Confident	76.2	Confident	94 Å²	94	62.9 Å²	62.9	44%	0.435	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-65.6	-1.4	168.6	70.4	-94.2	0	0	0	115.5	A922	A922-H925 PolarHBondContact O-CE1 3.4Å
926	L	70.8	Confident	76.9	Confident	90 Å²	90	61.8 Å²	61.8	47%	0.471	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-107.3	-3.6	179.7	-61	178.3	0	0	0	113.6	T587 Q923 E924	T587-L926 HydrophobicContact CG2-CD1 4.22Å; Q923-L926 WeakPolarHBondContact O-CB 3.32Å; Q923-L926 PolarHBondContact O-N 3.48Å; E924-L926 PolarHBondContact O-N 2.91Å; E924-L926 VanDerWaalsContact O-N 3.07Å
927	N	73.3	Confident	77.4	Confident	44 Å²	44	61.9 Å²	61.9	24%	0.235	30%	0.302	C	S	.	.	S	Bend	trans	-130.1	130.7	-178.5	-65.1	-95.3	0	0	0	109	D873 L874 Q923 E924 I932	D873-N927 WeakPolarHBondContact CA-O 3.33Å; L874-N927 HydrophobicContact CD1-CB 3.84Å; L874-N927 HydrophobicContact CG-CB 4.41Å; L874-N927 PolarHBondContact N-O 3.25Å; Q923-N927 PolarHBondContact O-ND2 3Å; E924-N927 PolarHBondContact O-N 3.46Å; N927-I932 HydrophobicContact CB-CG2 4.15Å
928	Y	81.5	Confident	77.8	Confident	90 Å²	90	58.6 Å²	58.6	35%	0.353	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-84.5	150.5	174.3	-67.7	-80.5	0	0	0	111.3	D871 D873 T930 E931	D871-Y928 WeakPolarHBondContact O-CD1 3.17Å; D871-Y928 WeakPolarHBondContact O-CE1 3.27Å; D873-Y928 HydrophobicContact CB-CD1 4.42Å; D873-Y928 HydrophobicContact CB-CE1 4.43Å; Y928-T930 PolarHBondContact O-N 3.1Å; Y928-E931 PolarHBondContact N-OE2 3.31Å; Y928-E931 WeakPolarHBondContact O-CB 3.44Å; Y928-E931 PolarHBondContact O-N 3.41Å
929	V	81.3	Confident	78.1	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.006	27%	0.27	C	S	.	.	H	α-helix	trans	-55.1	-39	178.4	178.1	0	0	0	0	111.1	I836 S872 L874 C877 E931 I932 A933 I937	I836-V929 HydrophobicContact CD1-CG1 3.24Å; S872-V929 WeakPolarHBondContact O-CG2 3.27Å; S872-V929 PolarHBondContact O-N 3.35Å; L874-V929 HydrophobicContact CD2-CG2 4Å; C877-V929 HydrophobicContact CB-CG2 3.55Å; V929-E931 PolarHBondContact O-N 3.05Å; V929-I932 PolarHBondContact O-N 3.04Å; V929-A933 PolarHBondContact O-N 3.39Å; V929-A933 VanDerWaalsContact O-N 3.09Å; V929-I937 HydrophobicContact CG1-CD1 4.4Å
930	T	78.6	Confident	78.5	Confident	58 Å²	58	53.2 Å²	53.2	36%	0.356	27%	0.268	S	S	.	.	H	α-helix	trans	-68.5	-6.7	176.3	55.4	0	0	0	0	115.6	L834 G870 Y928	L834-T930 HydrophobicContact CD1-CG2 3.36Å; G870-T930 WeakPolarHBondContact O-CG2 3.39Å; Y928-T930 PolarHBondContact O-N 3.1Å
931	E	76	Confident	79	Confident	64 Å²	64	49.2 Å²	49.2	30%	0.299	25%	0.247	S	C	.	.	H	α-helix	trans	-98.4	-23.6	177.8	-63.7	-176.6	121.9	0	0	112.8	T911 Y928 V929	T911-E931 WeakPolarHBondContact CG2-O 3.16Å; T911-E931 PolarHBondContact OG1-O 2.89Å; Y928-E931 PolarHBondContact N-OE2 3.31Å; Y928-E931 WeakPolarHBondContact O-CB 3.44Å; Y928-E931 PolarHBondContact O-N 3.41Å; V929-E931 PolarHBondContact O-N 3.05Å
932	I	77.7	Confident	79.1	Confident	3 Å²	3	45 Å²	45	2%	0.015	24%	0.238	C	C	.	.	H	α-helix	trans	-115	-19	-173.1	73.6	133	0	0	0	114.2	L874 F907 A910 I919 N927 V929 I937	L874-I932 HydrophobicContact CD1-CD1 3.7Å; L874-I932 HydrophobicContact CD1-CG1 4.06Å; L874-I932 HydrophobicContact CD1-CG2 4.47Å; L874-I932 HydrophobicContact CD2-CD1 3.6Å; L874-I932 HydrophobicContact CD2-CG1 3.84Å; L874-I932 HydrophobicContact CG-CD1 4.28Å; L874-I932 HydrophobicContact CG-CG1 4.44Å; F907-I932 HydrophobicContact CB-CD1 4.21Å; F907-I932 HydrophobicContact CD1-CD1 4.39Å; A910-I932 WeakPolarHBondContact CB-O 3.46Å; A910-I932 PolarHBondContact N-O 3.43Å; A910-I932 VanDerWaalsContact N-O 3.12Å; I919-I932 HydrophobicContact CD1-CB 4.26Å; I919-I932 HydrophobicContact CD1-CD1 3.87Å; I919-I932 HydrophobicContact CD1-CG1 4.5Å; I919-I932 HydrophobicContact CD1-CG2 3.77Å; N927-I932 HydrophobicContact CB-CG2 4.15Å; V929-I932 PolarHBondContact O-N 3.04Å; I932-I937 HydrophobicContact CD1-CD1 3.92Å; I932-I937 HydrophobicContact CD1-CG1 3.99Å
933	A	70.4	Confident	79.3	Confident	4 Å²	4	46.7 Å²	46.7	3%	0.033	23%	0.232	C	C	.	.			trans	-121.3	168.2	175.5	0	0	0	0	0	110.8	V929 E936 I937	V929-A933 PolarHBondContact O-N 3.39Å; V929-A933 VanDerWaalsContact O-N 3.09Å; A933-E936 WeakPolarHBondContact CB-O 3.45Å; A933-I937 HydrophobicContact CB-CB 3.85Å; A933-I937 HydrophobicContact CB-CG1 4.16Å
934	Q	61.8	Low	79.4	Confident	93 Å²	93	44.1 Å²	44.1	44%	0.435	22%	0.221	S	C	.	.	S	Bend	trans	-121.5	-77.3	166.8	-68.4	-173.3	-25.3	0	0	108.2	R817 S819	R817-Q934 PolarHBondContact O-NE2 3.31Å; S819-Q934 VanDerWaalsContact OG-CD 3.25Å; S819-Q934 PolarHBondContact OG-NE2 2.96Å; S819-Q934 PolarHBondContact OG-OE1 2.99Å
935	D	69.1	Low	78.6	Confident	131 Å²	131	51.5 Å²	51.5	70%	0.701	26%	0.259	S	S	*	.	S	Bend	trans	-108.4	-20.7	173.1	-41.9	-75.6	0	0	0	112.2	Q837	Q837-D935 PolarHBondContact N-O 3.23Å
936	E	86.3	Confident	77.6	Confident	43 Å²	43	48.6 Å²	48.6	20%	0.201	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	135.6	-178.7	-174.6	169.5	-136.2	0	0	110.9	Q837 S839 A933 Y938	Q837-E936 HydrophobicContact CB-CB 4.33Å; Q837-E936 HydrophobicContact CB-CG 4.22Å; Q837-E936 HydrophobicContact CG-CG 4.28Å; Q837-E936 PolarHBondContact NE2-OE1 3.13Å; Q837-E936 CarbonylContact O-C 3.58Å; Q837-E936 VanDerWaalsContact O-CA 3.29Å; Q837-E936 WeakPolarHBondContact O-CA 3.39Å; S839-E936 WeakPolarHBondContact CB-OE1 3.3Å; S839-E936 PolarHBondContact OG-OE1 3.14Å; A933-E936 WeakPolarHBondContact CB-O 3.45Å; E936-Y938 HydrophobicContact CB-CE2 4.33Å; E936-Y938 HydrophobicContact CG-CE1 3.9Å; E936-Y938 HydrophobicContact CG-CE2 4.08Å; E936-Y938 WeakPolarHBondContact OE2-CE1 3.49Å; E936-Y938 PolarHBondContact OE2-OH 3.14Å
937	I	91.6	Very high	76.4	Confident	1 Å²	1	48 Å²	48	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.7	176.2	-167.7	168.4	0	0	0	109.5	I836 Q837 V838 S839 L874 F907 V929 I932 A933	I836-I937 HydrophobicContact CG2-CB 3.89Å; I836-I937 HydrophobicContact CG2-CG2 3.74Å; Q837-I937 WeakPolarHBondContact O-CG2 3.21Å; Q837-I937 PolarHBondContact O-N 3.45Å; V838-I937 HydrophobicContact CB-CG2 4.2Å; V838-I937 HydrophobicContact CG1-CG2 4.26Å; V838-I937 HydrophobicContact CG2-CG2 3.83Å; S839-I937 PolarHBondContact N-O 3.3Å; L874-I937 HydrophobicContact CD2-CD1 3.85Å; F907-I937 HydrophobicContact CD1-CD1 3.66Å; F907-I937 HydrophobicContact CD1-CG1 4.03Å; F907-I937 HydrophobicContact CE1-CD1 3.56Å; F907-I937 HydrophobicContact CE1-CG1 4.3Å; V929-I937 HydrophobicContact CG1-CD1 4.4Å; I932-I937 HydrophobicContact CD1-CD1 3.92Å; I932-I937 HydrophobicContact CD1-CG1 3.99Å; A933-I937 HydrophobicContact CB-CB 3.85Å; A933-I937 HydrophobicContact CB-CG1 4.16Å
938	Y	92.1	Very high	74.8	Confident	13 Å²	13	51.8 Å²	51.8	5%	0.051	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.3	-174.9	-55.4	-93.3	0	0	0	111.1	S839 K857 L908 A910 F916 E936	S839-Y938 CarbonylContact O-C 3.35Å; S839-Y938 VanDerWaalsContact O-CA 3.26Å; S839-Y938 WeakPolarHBondContact O-CA 3.39Å; K857-Y938 HydrophobicContact CG-CE1 4.09Å; L908-Y938 PolarHBondContact N-O 3.39Å; A910-Y938 HydrophobicContact CB-CD2 3.73Å; A910-Y938 HydrophobicContact CB-CE2 3.88Å; F916-Y938 HydrophobicContact CE1-CD1 4.41Å; F916-Y938 AromaticContact CE1-CD2 3.54Å; F916-Y938 HydrophobicContact CE1-CD2 3.54Å; F916-Y938 AromaticContact CE1-CE2 3.98Å; F916-Y938 HydrophobicContact CE1-CE2 3.98Å; F916-Y938 AromaticContact CE1-CG 3.75Å; F916-Y938 HydrophobicContact CE1-CG 3.75Å; F916-Y938 HydrophobicContact CZ-CD1 4.47Å; F916-Y938 HydrophobicContact CZ-CD2 4.12Å; F916-Y938 HydrophobicContact CZ-CE2 4.19Å; F916-Y938 HydrophobicContact CZ-CG 4.23Å; E936-Y938 HydrophobicContact CB-CE2 4.33Å; E936-Y938 HydrophobicContact CG-CE1 3.9Å; E936-Y938 HydrophobicContact CG-CE2 4.08Å; E936-Y938 WeakPolarHBondContact OE2-CE1 3.49Å; E936-Y938 PolarHBondContact OE2-OH 3.14Å
939	I	93.3	Very high	72.5	Confident	0 Å²	0	52 Å²	52	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143.5	177.4	65.9	176.3	0	0	0	110.3	V838 S839 R840 V841 L863 I881 L901 W905 C906 F907	V838-I939 HydrophobicContact CG1-CD1 4.2Å; V838-I939 HydrophobicContact CG1-CG2 4.44Å; S839-I939 PolarHBondContact O-N 3.35Å; R840-I939 CarbonylContact C-O 3.59Å; R840-I939 WeakPolarHBondContact CA-O 3.48Å; R840-I939 HydrophobicContact CB-CD1 4.16Å; R840-I939 HydrophobicContact CB-CG1 3.72Å; V841-I939 PolarHBondContact N-O 2.88Å; L863-I939 HydrophobicContact CD2-CD1 4.04Å; I881-I939 HydrophobicContact CD1-CG2 4.44Å; I881-I939 HydrophobicContact CG2-CD1 4.5Å; L901-I939 HydrophobicContact CD1-CD1 3.71Å; L901-I939 HydrophobicContact CD2-CD1 3.71Å; L901-I939 HydrophobicContact CG-CD1 4.39Å; W905-I939 HydrophobicContact CD2-CD1 4.43Å; W905-I939 HydrophobicContact CE3-CB 3.75Å; W905-I939 HydrophobicContact CE3-CD1 4.28Å; W905-I939 HydrophobicContact CE3-CG2 3.71Å; W905-I939 HydrophobicContact CH2-CG2 4.2Å; W905-I939 HydrophobicContact CZ3-CB 4.01Å; W905-I939 HydrophobicContact CZ3-CG2 3.4Å; C906-I939 WeakPolarHBondContact O-CA 3.46Å; F907-I939 HydrophobicContact CD1-CG2 3.91Å; F907-I939 HydrophobicContact CE1-CG2 4.18Å
940	L	91.4	Very high	70.1	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	115.8	178	-179.5	60.6	0	0	0	109.4	V841 M843 Y846 W905 C906 L908 R918	V841-L940 HydrophobicContact CG1-CD1 4.38Å; M843-L940 HydrophobicContact CG-CD1 4.22Å; M843-L940 HydrophobicContact CG-CG 4.39Å; M843-L940 HydrophobicContact SD-CD1 4.17Å; M843-L940 HydrophobicContact SD-CD2 3.77Å; M843-L940 HydrophobicContact SD-CG 4.16Å; Y846-L940 HydrophobicContact CD1-CD2 4.12Å; Y846-L940 HydrophobicContact CD2-CD1 4.22Å; Y846-L940 HydrophobicContact CD2-CD2 4.25Å; Y846-L940 HydrophobicContact CE1-CD2 4.41Å; Y846-L940 HydrophobicContact CG-CD1 3.85Å; Y846-L940 HydrophobicContact CG-CD2 4.06Å; W905-L940 WeakPolarHBondContact CA-O 3.47Å; C906-L940 PolarHBondContact N-O 3.12Å; C906-L940 PolarHBondContact O-N 3.22Å; L908-L940 HydrophobicContact CD1-CB 4.13Å; L908-L940 HydrophobicContact CD2-CB 3.92Å; L908-L940 HydrophobicContact CD2-CD2 4.2Å; L908-L940 HydrophobicContact CG-CB 3.98Å; R918-L940 VanDerWaalsContact CD-CD2 3.44Å; R918-L940 HydrophobicContact CG-CD2 3.6Å
941	D	89.5	Confident	68.4	Low	3 Å²	3	65.2 Å²	65.2	2%	0.016	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	117.1	177.1	-166.8	-36	0	0	0	110.1	V841 M843 L901 S902 E943 L944	V841-D941 PolarHBondContact O-N 3.04Å; M843-D941 PolarHBondContact N-O 3.1Å; L901-D941 WeakPolarHBondContact CA-OD2 3.48Å; L901-D941 WeakPolarHBondContact CD2-OD2 3.42Å; S902-D941 WeakPolarHBondContact CB-OD1 3.45Å; S902-D941 PolarHBondContact N-OD2 3.15Å; D941-E943 VanDerWaalsContact C-N 3.32Å; D941-E943 PolarHBondContact O-N 3.45Å; D941-E943 PolarHBondContact OD1-N 3.31Å; D941-L944 HydrophobicContact CB-CB 3.91Å; D941-L944 PolarHBondContact OD1-N 3.08Å
942	P	80.6	Confident	66.1	Low	53 Å²	53	69.1 Å²	69.1	34%	0.344	39%	0.394	S	S	.	.	S	Bend	trans	-68.7	-21.3	176.9	-22.1	35	0	0	0	116	M843 K904	M843-P942 HydrophobicContact CG-CB 4Å; M843-P942 HydrophobicContact CG-CG 4.34Å; K904-P942 HydrophobicContact CB-CG 4.4Å
943	E	74.9	Confident	63.7	Low	117 Å²	117	76 Å²	76	55%	0.547	43%	0.43	S	S	.	.	S	Bend	trans	-104.9	-6.4	-172.4	-69.2	154.2	-137.5	0	0	112.4	S902 D941 L945	S902-E943 VanDerWaalsContact CB-OE1 3.3Å; S902-E943 WeakPolarHBondContact CB-OE1 3.47Å; S902-E943 PolarHBondContact OG-OE1 3.31Å; D941-E943 VanDerWaalsContact C-N 3.32Å; D941-E943 PolarHBondContact O-N 3.45Å; D941-E943 PolarHBondContact OD1-N 3.31Å; E943-L945 PolarHBondContact O-N 3.32Å
944	L	74.9	Confident	62	Low	25 Å²	25	81 Å²	81	13%	0.131	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-66.5	118.8	173.3	-177.2	65.7	0	0	0	111.5	R840 S842 D941	R840-L944 HydrophobicContact CG-CD2 3.91Å; S842-L944 VanDerWaalsContact CB-O 3.27Å; S842-L944 WeakPolarHBondContact CB-O 3.37Å; D941-L944 HydrophobicContact CB-CB 3.91Å; D941-L944 PolarHBondContact OD1-N 3.08Å
945	L	61.8	Low	60.5	Low	154 Å²	154	83 Å²	83	81%	0.806	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-72.5	130.7	170.7	-61.6	175.9	0	0	0	110.2	E943	E943-L945 PolarHBondContact O-N 3.32Å
946	G	53.9	Low	58.6	Low	34 Å²	34	82 Å²	82	35%	0.351	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-60.3	140.9	-172.2	0	0	0	0	0	114.4	S948	G946-S948 PolarHBondContact O-N 3.14Å; G946-S948 VanDerWaalsContact O-N 3.08Å
947	A	45.3	Very low	55.7	Low	76 Å²	76	86 Å²	86	63%	0.628	51%	0.509	S	S	*	.			trans	-82	86.9	-166.9	0	0	0	0	0	113.8	V861	V861-A947 HydrophobicContact CG2-CB 4.42Å
948	S	38.7	Very low	52.6	Low	124 Å²	124	91.4 Å²	91.4	87%	0.867	55%	0.547	S	S	*	.			trans	-116	48.8	175.1	59.4	0	0	0	0	114.2	G946	G946-S948 PolarHBondContact O-N 3.14Å; G946-S948 VanDerWaalsContact O-N 3.08Å
949	A	33.3	Very low	50.1	Low	96 Å²	96	95.7 Å²	95.7	79%	0.793	58%	0.577	S	S	*	*			trans	-137.7	117.1	171.3	0	0	0	0	0	112.6
950	R	32.1	Very low	46.9	Very low	225 Å²	225	103.4 Å²	103.4	85%	0.849	62%	0.617	S	S	*	*			trans	-133.3	136.4	159.7	-74.2	-171.7	-179.8	173.9	4.2	107.9
951	P	41.6	Very low	44.1	Very low	111 Å²	111	109.2 Å²	109.2	72%	0.721	66%	0.655	S	S	*	*			trans	-86.3	157.1	-176.1	34	-35.3	0	0	0	113.8
952	D	28.4	Very low	41.1	Very low	145 Å²	145	115.9 Å²	115.9	78%	0.775	70%	0.696	S	S	*	*			trans	63.2	140.3	159.1	-55.1	-28.1	0	0	0	118.4
953	L	27.8	Very low	38.6	Very low	148 Å²	148	119 Å²	119	78%	0.775	72%	0.718	S	S	*	*			cis	-160.7	-171.5	1.1	-147.7	87.8	0	0	0	108.5
954	P	34.8	Very low	36.7	Very low	110 Å²	110	119.5 Å²	119.5	71%	0.714	73%	0.732	S	S	*	*				-96.6	172.4	-72.8	38.5	-27.7	0	0	0	114.7
955	T	28.3	Very low	34.6	Very low	134 Å²	134	124.3 Å²	124.3	82%	0.822	77%	0.766	S	S	*	*			trans	-91	159.9	177.8	-24.4	0	0	0	0	114
956	P	30	Very low	33.1	Very low	111 Å²	111	122 Å²	122	72%	0.721	76%	0.763	S	S	*	*			trans	-136.4	137.4	132.3	36.4	-25	0	0	0	116
957	T	25.1	Very low	32	Very low	126 Å²	126	126.3 Å²	126.3	77%	0.773	79%	0.785	S	S	*	*			trans	47.4	93.1	151.7	54.9	0	0	0	0	121.3
958	S	26.7	Very low	31.2	Very low	115 Å²	115	128.6 Å²	128.6	80%	0.804	79%	0.791	S	S	*	*				38.4	151.8	101.4	-137.1	0	0	0	0	121
959	P	39.8	Very low	30.9	Very low	103 Å²	103	128.9 Å²	128.9	67%	0.669	79%	0.79	S	S	*	*			cis	-134	-173.3	-6.3	28.7	-5	0	0	0	115.7
960	L	26.4	Very low	30.8	Very low	162 Å²	162	135.4 Å²	135.4	85%	0.848	79%	0.794	S	S	*	*			trans	80.8	150.5	162.8	-54.6	173.8	0	0	0	118.8
961	P	31.9	Very low	31	Very low	122 Å²	122	130 Å²	130	79%	0.792	79%	0.791	S	S	*	*			cis	-118.1	157.1	-19.2	38.4	-25.9	0	0	0	113.3
962	T	26.7	Very low	30.7	Very low	143 Å²	143	132.3 Å²	132.3	88%	0.877	80%	0.796	S	S	*	*			trans	-94.4	145.8	175.8	38	0	0	0	0	113.4
963	S	28.2	Very low	31.2	Very low	117 Å²	117	135 Å²	135	82%	0.818	80%	0.804	S	S	*	*			trans	-159.6	151.4	172.8	-85.2	0	0	0	0	108.9
964	P	35.5	Very low	31.4	Very low	129 Å²	129	130.7 Å²	130.7	84%	0.838	80%	0.796	S	S	*	*	P	Polyproline II helix		-89.5	146.4	-117.9	-17.7	32.4	0	0	0	116.3
965	C	30.1	Very low	31.8	Very low	126 Å²	126	134.2 Å²	134.2	85%	0.851	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-72.7	165.4	158.2	-103.7	0	0	0	0	111.8
966	S	30.6	Very low	32.5	Very low	105 Å²	105	132.1 Å²	132.1	73%	0.734	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-54.7	152.3	167.6	34.7	0	0	0	0	112.6	T968	S966-T968 PolarHBondContact O-N 3.17Å
967	P	30.2	Very low	33.6	Very low	125 Å²	125	130.4 Å²	130.4	81%	0.812	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-73.3	119.5	-177.3	29.6	-34.2	0	0	0	111.6
968	T	29.9	Very low	35.1	Very low	124 Å²	124	129.6 Å²	129.6	76%	0.761	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-67.7	139	146.5	31.8	0	0	0	0	108.7	S966 R970	S966-T968 PolarHBondContact O-N 3.17Å; T968-R970 PolarHBondContact O-N 2.81Å
969	P	32.7	Very low	36.7	Very low	130 Å²	130	125.8 Å²	125.8	84%	0.844	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-58.5	125.3	168.8	-21.6	33.2	0	0	0	109.3
970	R	29.8	Very low	37.9	Very low	232 Å²	232	127.4 Å²	127.4	88%	0.875	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-70.9	132.9	164.6	-78.4	-178.5	170.4	174.7	-4.5	107.8	T968 L972	T968-R970 PolarHBondContact O-N 2.81Å; R970-L972 PolarHBondContact O-N 3.04Å; R970-L972 VanDerWaalsContact O-N 3.08Å
971	S	37.2	Very low	39.8	Very low	111 Å²	111	120.3 Å²	120.3	78%	0.776	73%	0.734	S	S	*	*			trans	-57.7	114.5	156.9	175.8	0	0	0	0	107.8
972	L	34.7	Very low	42	Very low	161 Å²	161	121 Å²	121	84%	0.843	73%	0.727	S	S	*	*			trans	-90.9	128.1	148.7	-75.5	169.1	0	0	0	105.5	R970 G974	R970-L972 PolarHBondContact O-N 3.04Å; R970-L972 VanDerWaalsContact O-N 3.08Å; L972-G974 PolarHBondContact O-N 3.16Å
973	Q	37.9	Very low	44.7	Very low	200 Å²	200	118.7 Å²	118.7	94%	0.935	71%	0.706	S	S	*	*			trans	-70.4	117.6	165.7	-77.8	178.8	-43.7	0	0	108.5
974	G	33.1	Very low	47.3	Very low	59 Å²	59	113.1 Å²	113.1	61%	0.608	67%	0.667	S	S	*	*			trans	-157.4	124.4	161.6	0	0	0	0	0	105.9	L972 A976	L972-G974 PolarHBondContact O-N 3.16Å; G974-A976 PolarHBondContact O-N 3.29Å
975	D	42.6	Very low	49.6	Very low	184 Å²	184	107.1 Å²	107.1	98%	0.984	63%	0.628	S	S	*	*			trans	-73.3	72.5	179.6	-63.9	-67.9	0	0	0	110.2
976	A	42.9	Very low	52.1	Low	89 Å²	89	104 Å²	104	74%	0.736	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-93.6	125.5	165.5	0	0	0	0	0	108.1	G974	G974-A976 PolarHBondContact O-N 3.29Å
977	A	53	Low	54.7	Low	76 Å²	76	99.2 Å²	99.2	63%	0.628	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-55.7	153.6	168.6	0	0	0	0	0	110.3
978	P	57.5	Low	57.3	Low	109 Å²	109	93.2 Å²	93.2	71%	0.708	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-52.2	137.6	166.3	25.4	-34.6	0	0	0	108.6	E980	P978-E980 PolarHBondContact O-N 3.41Å; P978-E980 VanDerWaalsContact O-N 3.1Å
979	P	60.5	Low	59.9	Low	34 Å²	34	91.4 Å²	91.4	22%	0.221	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-57.2	122.5	-174.5	22.7	-32.9	0	0	0	109.5	G981 L999 A1002	P979-G981 PolarHBondContact O-N 3.36Å; P979-L999 HydrophobicContact CB-CD2 3.74Å; P979-L999 HydrophobicContact CG-CD2 4.33Å; P979-A1002 HydrophobicContact CG-CB 4.4Å
980	E	64.8	Low	62.4	Low	137 Å²	137	93.8 Å²	93.8	64%	0.64	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-55.2	134.3	-177.2	-66	177.8	161.8	0	0	109	P978 E982 E983	P978-E980 PolarHBondContact O-N 3.41Å; P978-E980 VanDerWaalsContact O-N 3.1Å; E980-E982 PolarHBondContact O-N 3.41Å; E980-E983 WeakPolarHBondContact O-CB 3.17Å; E980-E983 PolarHBondContact O-N 2.97Å
981	G	66.9	Low	65	Low	13 Å²	13	86.6 Å²	86.6	13%	0.134	48%	0.482	C	S	.	.	H	α-helix	trans	-61.8	-18	-174.1	0	0	0	0	0	113.3	P979 L984 I985 H1008	P979-G981 PolarHBondContact O-N 3.36Å; G981-L984 WeakPolarHBondContact O-CB 3.33Å; G981-L984 PolarHBondContact O-N 3.19Å; G981-I985 WeakPolarHBondContact O-CG1 3.39Å; G981-I985 PolarHBondContact O-N 2.83Å; G981-H1008 VanDerWaalsContact C-CD2 3.43Å; G981-H1008 WeakPolarHBondContact CA-CD2 3.35Å; G981-H1008 WeakPolarHBondContact CA-NE2 3.33Å
982	E	77.9	Confident	67.2	Low	137 Å²	137	84.8 Å²	84.8	64%	0.64	46%	0.463	S	S	*	.	H	α-helix	trans	-59.2	-37.1	166.8	-62.1	-169	-153.2	0	0	113.3	E980 L984 I985 E986	E980-E982 PolarHBondContact O-N 3.41Å; E982-L984 VanDerWaalsContact C-N 3.34Å; E982-L984 PolarHBondContact O-N 3.11Å; E982-I985 PolarHBondContact O-N 3.49Å; E982-E986 WeakPolarHBondContact O-CB 3.48Å; E982-E986 WeakPolarHBondContact O-CG 3.43Å; E982-E986 PolarHBondContact O-N 3.01Å
983	E	81.6	Confident	69.7	Low	94 Å²	94	80.4 Å²	80.4	44%	0.439	44%	0.438	S	S	.	.	H	α-helix	trans	-64.4	-38.6	173.8	-75.7	-147.6	178.1	0	0	111.7	E980 E986 A987 K995 L999	E980-E983 WeakPolarHBondContact O-CB 3.17Å; E980-E983 PolarHBondContact O-N 2.97Å; E983-E986 PolarHBondContact O-N 2.92Å; E983-A987 WeakPolarHBondContact O-CB 3.36Å; E983-A987 PolarHBondContact O-N 3Å; E983-K995 WeakPolarHBondContact OE2-CE 3.44Å; E983-K995 IonicContact OE2-NZ 3.15Å; E983-K995 PolarHBondContact OE2-NZ 2.76Å; E983-L999 HydrophobicContact CB-CD1 3.83Å; E983-L999 HydrophobicContact CB-CD2 4.38Å; E983-L999 WeakPolarHBondContact OE2-CD2 3.42Å
984	L	82.9	Confident	71.9	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	42%	0.42	C	S	.	.	H	α-helix	trans	-67.3	-42.4	175.8	-86.1	170.5	0	0	0	111.3	G981 E982 A987 A988 L996 L999 D1005 L1016	G981-L984 WeakPolarHBondContact O-CB 3.33Å; G981-L984 PolarHBondContact O-N 3.19Å; E982-L984 VanDerWaalsContact C-N 3.34Å; E982-L984 PolarHBondContact O-N 3.11Å; L984-A987 PolarHBondContact O-N 3.35Å; L984-A988 WeakPolarHBondContact O-CB 3.44Å; L984-A988 PolarHBondContact O-N 3Å; L984-L996 HydrophobicContact CD2-CG 4.19Å; L984-L999 HydrophobicContact CD2-CB 3.5Å; L984-L999 VanDerWaalsContact CD2-CB 3.5Å; L984-L999 HydrophobicContact CD2-CD1 4.08Å; L984-L999 HydrophobicContact CD2-CG 4.46Å; L984-L999 HydrophobicContact CG-CB 3.95Å; L984-L999 HydrophobicContact CG-CD1 4.16Å; L984-D1005 WeakPolarHBondContact CD1-O 3.41Å; L984-L1016 HydrophobicContact CB-CD1 4.12Å; L984-L1016 HydrophobicContact CB-CD2 4Å; L984-L1016 HydrophobicContact CD1-CD1 4.45Å; L984-L1016 HydrophobicContact CD2-CD1 4.45Å
985	I	84.2	Confident	74.4	Confident	4 Å²	4	75.5 Å²	75.5	2%	0.021	41%	0.406	C	S	.	.	H	α-helix	trans	-61.5	-44.9	174.1	-73.3	165.1	0	0	0	110.6	G981 E982 A988 K989 D1010 L1016	G981-I985 WeakPolarHBondContact O-CG1 3.39Å; G981-I985 PolarHBondContact O-N 2.83Å; E982-I985 PolarHBondContact O-N 3.49Å; I985-A988 PolarHBondContact O-N 3.21Å; I985-K989 HydrophobicContact CG2-CD 3.75Å; I985-K989 HydrophobicContact CG2-CG 4.28Å; I985-K989 WeakPolarHBondContact O-CB 3.28Å; I985-K989 VanDerWaalsContact O-CG 3.27Å; I985-K989 WeakPolarHBondContact O-CG 3.47Å; I985-K989 PolarHBondContact O-N 3.21Å; I985-D1010 HydrophobicContact CD1-CB 3.87Å; I985-L1016 HydrophobicContact CB-CD2 4.28Å; I985-L1016 HydrophobicContact CG1-CD2 3.61Å
986	E	83.9	Confident	76.5	Confident	59 Å²	59	66.7 Å²	66.7	28%	0.276	36%	0.359	S	S	.	.	H	α-helix	trans	-66.7	-38.6	177.3	-78.5	-62.3	123.5	0	0	112.5	E982 E983 A988 K989 R990	E982-E986 WeakPolarHBondContact O-CB 3.48Å; E982-E986 WeakPolarHBondContact O-CG 3.43Å; E982-E986 PolarHBondContact O-N 3.01Å; E983-E986 PolarHBondContact O-N 2.92Å; E986-A988 VanDerWaalsContact C-N 3.33Å; E986-A988 PolarHBondContact O-N 3.21Å; E986-K989 PolarHBondContact O-N 3.39Å; E986-K989 WeakPolarHBondContact OE1-CD 3.14Å; E986-K989 WeakPolarHBondContact OE1-CE 3.27Å; E986-K989 IonicContact OE1-NZ 3.54Å; E986-K989 PolarHBondContact OE1-NZ 3.15Å; E986-R990 VanDerWaalsContact O-CB 3.25Å; E986-R990 WeakPolarHBondContact O-CB 3.38Å; E986-R990 WeakPolarHBondContact O-CD 3.29Å; E986-R990 WeakPolarHBondContact O-CG 3.22Å; E986-R990 PolarHBondContact O-N 2.89Å; E986-R990 IonicContact OE2-CZ 3.03Å; E986-R990 IonicContact OE2-NE 2.97Å; E986-R990 PolarHBondContact OE2-NE 3.33Å; E986-R990 IonicContact OE2-NH2 2.71Å; E986-R990 PolarHBondContact OE2-NH2 3.48Å
987	A	85.1	Confident	78.5	Confident	5 Å²	5	64.6 Å²	64.6	4%	0.041	33%	0.334	C	S	.	.	H	α-helix	trans	-61.7	-41.1	172.4	0	0	0	0	0	111.8	E983 L984 N991 D992 K995 L996 L999	E983-A987 WeakPolarHBondContact O-CB 3.36Å; E983-A987 PolarHBondContact O-N 3Å; L984-A987 PolarHBondContact O-N 3.35Å; A987-N991 PolarHBondContact O-N 3.06Å; A987-N991 VanDerWaalsContact O-N 3.13Å; A987-D992 PolarHBondContact O-N 3.07Å; A987-K995 HydrophobicContact CB-CB 4.45Å; A987-K995 HydrophobicContact CB-CG 4.19Å; A987-L996 HydrophobicContact CB-CB 3.98Å; A987-L999 HydrophobicContact CB-CD1 4.22Å
988	A	85	Confident	80	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-65.5	-48.7	174.6	0	0	0	0	0	112.3	L984 I985 E986 R990 N991 L996 L1016 H1019	L984-A988 WeakPolarHBondContact O-CB 3.44Å; L984-A988 PolarHBondContact O-N 3Å; I985-A988 PolarHBondContact O-N 3.21Å; E986-A988 VanDerWaalsContact C-N 3.33Å; E986-A988 PolarHBondContact O-N 3.21Å; A988-R990 VanDerWaalsContact C-N 3.29Å; A988-R990 PolarHBondContact O-N 3.27Å; A988-N991 PolarHBondContact O-N 3.27Å; A988-N991 VanDerWaalsContact O-N 3.13Å; A988-L996 HydrophobicContact CB-CD1 3.89Å; A988-L1016 HydrophobicContact CB-CD2 4.42Å; A988-H1019 HydrophobicContact CB-CB 3.99Å
989	K	83.6	Confident	81.4	Confident	86 Å²	86	62 Å²	62	37%	0.374	30%	0.299	S	S	.	.	H	α-helix	trans	-59	-36	176.3	-74	162.9	172.7	166.9	0	112.9	I985 E986 N991 H1019 T1023	I985-K989 HydrophobicContact CG2-CD 3.75Å; I985-K989 HydrophobicContact CG2-CG 4.28Å; I985-K989 WeakPolarHBondContact O-CB 3.28Å; I985-K989 VanDerWaalsContact O-CG 3.27Å; I985-K989 WeakPolarHBondContact O-CG 3.47Å; I985-K989 PolarHBondContact O-N 3.21Å; E986-K989 PolarHBondContact O-N 3.39Å; E986-K989 WeakPolarHBondContact OE1-CD 3.14Å; E986-K989 WeakPolarHBondContact OE1-CE 3.27Å; E986-K989 IonicContact OE1-NZ 3.54Å; E986-K989 PolarHBondContact OE1-NZ 3.15Å; K989-N991 VanDerWaalsContact C-N 3.33Å; K989-H1019 HydrophobicContact CG-CB 4.4Å; K989-T1023 WeakPolarHBondContact O-CG2 3.22Å
990	R	84.8	Confident	82.5	Confident	179 Å²	179	63 Å²	63	68%	0.675	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-3.2	179.9	-64.1	168.9	-165.5	-163.3	5.3	113.2	E986 A988 D992	E986-R990 VanDerWaalsContact O-CB 3.25Å; E986-R990 WeakPolarHBondContact O-CB 3.38Å; E986-R990 WeakPolarHBondContact O-CD 3.29Å; E986-R990 WeakPolarHBondContact O-CG 3.22Å; E986-R990 PolarHBondContact O-N 2.89Å; E986-R990 IonicContact OE2-CZ 3.03Å; E986-R990 IonicContact OE2-NE 2.97Å; E986-R990 PolarHBondContact OE2-NE 3.33Å; E986-R990 IonicContact OE2-NH2 2.71Å; E986-R990 PolarHBondContact OE2-NH2 3.48Å; A988-R990 VanDerWaalsContact C-N 3.29Å; A988-R990 PolarHBondContact O-N 3.27Å; R990-D992 PolarHBondContact O-N 3.44Å
991	N	84.3	Confident	83.5	Confident	81 Å²	81	65.1 Å²	65.1	43%	0.433	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	34.2	-174.3	-170.4	21.7	0	0	0	113.3	A987 A988 K989 F993 S1025	A987-N991 PolarHBondContact O-N 3.06Å; A987-N991 VanDerWaalsContact O-N 3.13Å; A988-N991 PolarHBondContact O-N 3.27Å; A988-N991 VanDerWaalsContact O-N 3.13Å; K989-N991 VanDerWaalsContact C-N 3.33Å; N991-F993 PolarHBondContact O-N 3.24Å; N991-S1025 WeakPolarHBondContact OD1-CB 3.47Å; N991-S1025 PolarHBondContact OD1-OG 2.84Å
992	D	84.8	Confident	84.2	Confident	74 Å²	74	67.8 Å²	67.8	40%	0.396	32%	0.324	S	S	.	.			trans	-87.7	83.9	174.3	-166.3	-24.8	0	0	0	110.2	A987 R990 C994 K995 L996	A987-D992 PolarHBondContact O-N 3.07Å; R990-D992 PolarHBondContact O-N 3.44Å; D992-C994 PolarHBondContact O-N 2.8Å; D992-C994 WeakPolarHBondContact OD1-CB 3.5Å; D992-C994 PolarHBondContact OD1-N 3.45Å; D992-C994 VanDerWaalsContact OD1-N 3.09Å; D992-K995 HydrophobicContact CB-CB 4.03Å; D992-K995 VanDerWaalsContact CG-CB 3.44Å; D992-K995 PolarHBondContact O-N 3.23Å; D992-K995 PolarHBondContact OD1-N 2.87Å; D992-L996 WeakPolarHBondContact O-CB 3.41Å; D992-L996 PolarHBondContact O-N 2.81Å
993	F	85.9	Confident	84.2	Confident	69 Å²	69	64.2 Å²	64.2	30%	0.303	32%	0.324	S	S	.	.	H	α-helix	trans	-56.4	-34	176.8	178.1	-103.6	0	0	0	113.4	N991 Q997 V1028 Y1031	N991-F993 PolarHBondContact O-N 3.24Å; F993-Q997 WeakPolarHBondContact O-CB 3.23Å; F993-Q997 PolarHBondContact O-N 2.84Å; F993-Q997 VanDerWaalsContact O-N 3.1Å; F993-V1028 HydrophobicContact CB-CG2 4.29Å; F993-V1028 HydrophobicContact CD2-CG2 4.14Å; F993-Y1031 HydrophobicContact CE2-CD1 4.46Å; F993-Y1031 HydrophobicContact CE2-CD2 4Å; F993-Y1031 AromaticContact CE2-CG 3.79Å; F993-Y1031 HydrophobicContact CE2-CG 3.79Å; F993-Y1031 HydrophobicContact CZ-CD2 4.12Å; F993-Y1031 HydrophobicContact CZ-CG 4.38Å
994	C	85.1	Confident	84.3	Confident	83 Å²	83	60 Å²	60	56%	0.561	31%	0.306	S	S	*	.	H	α-helix	trans	-71.5	-52.2	-179.2	-68.4	0	0	0	0	110.5	D992 L996 Q997 E998	D992-C994 PolarHBondContact O-N 2.8Å; D992-C994 WeakPolarHBondContact OD1-CB 3.5Å; D992-C994 PolarHBondContact OD1-N 3.45Å; D992-C994 VanDerWaalsContact OD1-N 3.09Å; C994-L996 VanDerWaalsContact C-N 3.32Å; C994-L996 PolarHBondContact O-N 3.3Å; C994-Q997 PolarHBondContact O-N 3.48Å; C994-E998 WeakPolarHBondContact O-CG 3.03Å; C994-E998 PolarHBondContact O-N 2.72Å
995	K	84.9	Confident	84.4	Confident	72 Å²	72	64.5 Å²	64.5	31%	0.313	33%	0.33	S	S	.	.	H	α-helix	trans	-62.4	-37.8	178	179.3	58.9	172.2	161.9	0	111.7	E983 A987 D992 E998 L999	E983-K995 WeakPolarHBondContact OE2-CE 3.44Å; E983-K995 IonicContact OE2-NZ 3.15Å; E983-K995 PolarHBondContact OE2-NZ 2.76Å; A987-K995 HydrophobicContact CB-CB 4.45Å; A987-K995 HydrophobicContact CB-CG 4.19Å; D992-K995 HydrophobicContact CB-CB 4.03Å; D992-K995 VanDerWaalsContact CG-CB 3.44Å; D992-K995 PolarHBondContact O-N 3.23Å; D992-K995 PolarHBondContact OD1-N 2.87Å; K995-E998 PolarHBondContact O-N 2.86Å; K995-L999 HydrophobicContact CD-CD1 4.19Å; K995-L999 HydrophobicContact CD-CG 4.08Å; K995-L999 HydrophobicContact CG-CD1 4.1Å; K995-L999 HydrophobicContact CG-CG 4.43Å; K995-L999 WeakPolarHBondContact O-CB 3.3Å; K995-L999 VanDerWaalsContact O-CG 3.26Å; K995-L999 WeakPolarHBondContact O-CG 3.38Å; K995-L999 PolarHBondContact O-N 3.01Å
996	L	87.2	Confident	84.4	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-64.1	-41.1	174.9	-171.9	145.3	0	0	0	112.2	L984 A987 A988 D992 C994 H1000 V1028 Y1031	L984-L996 HydrophobicContact CD2-CG 4.19Å; A987-L996 HydrophobicContact CB-CB 3.98Å; A988-L996 HydrophobicContact CB-CD1 3.89Å; D992-L996 WeakPolarHBondContact O-CB 3.41Å; D992-L996 PolarHBondContact O-N 2.81Å; C994-L996 VanDerWaalsContact C-N 3.32Å; C994-L996 PolarHBondContact O-N 3.3Å; L996-H1000 WeakPolarHBondContact O-CB 3.38Å; L996-H1000 PolarHBondContact O-N 3.15Å; L996-V1028 HydrophobicContact CD1-CG1 3.76Å; L996-V1028 HydrophobicContact CD2-CG1 4.46Å; L996-Y1031 HydrophobicContact CD2-CD1 3.63Å; L996-Y1031 HydrophobicContact CD2-CE1 3.68Å
997	Q	85.8	Confident	84.5	Confident	44 Å²	44	64 Å²	64	21%	0.206	33%	0.329	C	S	.	.	H	α-helix	trans	-67.5	-33.6	173.9	176.6	167.5	116.8	0	0	112.8	F993 C994 R1001 Y1031	F993-Q997 WeakPolarHBondContact O-CB 3.23Å; F993-Q997 PolarHBondContact O-N 2.84Å; F993-Q997 VanDerWaalsContact O-N 3.1Å; C994-Q997 PolarHBondContact O-N 3.48Å; Q997-R1001 VanDerWaalsContact CD-NH2 3.34Å; Q997-R1001 WeakPolarHBondContact O-CB 3.38Å; Q997-R1001 VanDerWaalsContact O-CG 3.31Å; Q997-R1001 WeakPolarHBondContact O-CG 3.37Å; Q997-R1001 PolarHBondContact O-N 2.69Å; Q997-R1001 VanDerWaalsContact O-N 3.15Å; Q997-Y1031 HydrophobicContact CB-CE2 4.47Å; Q997-Y1031 HydrophobicContact CG-CE2 4.22Å; Q997-Y1031 VanDerWaalsContact NE2-CE2 3.29Å
998	E	84.6	Confident	84.4	Confident	122 Å²	122	66.9 Å²	66.9	57%	0.57	34%	0.341	S	S	*	.	H	α-helix	trans	-68.5	-45.8	174.5	-73.6	174.2	176.9	0	0	111.8	C994 K995 R1001 A1002	C994-E998 WeakPolarHBondContact O-CG 3.03Å; C994-E998 PolarHBondContact O-N 2.72Å; K995-E998 PolarHBondContact O-N 2.86Å; E998-R1001 CarbonylContact O-C 3.57Å; E998-R1001 PolarHBondContact O-N 2.75Å; E998-A1002 PolarHBondContact O-N 2.96Å
999	L	85.1	Confident	84.5	Confident	8 Å²	8	72 Å²	72	4%	0.042	36%	0.36	C	S	.	.	H	α-helix	trans	-63.6	-42.3	178.2	-72.8	173.5	0	0	0	112.8	P979 E983 L984 A987 K995 R1001 A1002 G1003 G1004	P979-L999 HydrophobicContact CB-CD2 3.74Å; P979-L999 HydrophobicContact CG-CD2 4.33Å; E983-L999 HydrophobicContact CB-CD1 3.83Å; E983-L999 HydrophobicContact CB-CD2 4.38Å; E983-L999 WeakPolarHBondContact OE2-CD2 3.42Å; L984-L999 HydrophobicContact CD2-CB 3.5Å; L984-L999 VanDerWaalsContact CD2-CB 3.5Å; L984-L999 HydrophobicContact CD2-CD1 4.08Å; L984-L999 HydrophobicContact CD2-CG 4.46Å; L984-L999 HydrophobicContact CG-CB 3.95Å; L984-L999 HydrophobicContact CG-CD1 4.16Å; A987-L999 HydrophobicContact CB-CD1 4.22Å; K995-L999 HydrophobicContact CD-CD1 4.19Å; K995-L999 HydrophobicContact CD-CG 4.08Å; K995-L999 HydrophobicContact CG-CD1 4.1Å; K995-L999 HydrophobicContact CG-CG 4.43Å; K995-L999 WeakPolarHBondContact O-CB 3.3Å; K995-L999 VanDerWaalsContact O-CG 3.26Å; K995-L999 WeakPolarHBondContact O-CG 3.38Å; K995-L999 PolarHBondContact O-N 3.01Å; L999-R1001 VanDerWaalsContact C-N 3.35Å; L999-R1001 PolarHBondContact O-N 2.93Å; L999-A1002 WeakPolarHBondContact O-CB 3.19Å; L999-A1002 PolarHBondContact O-N 3.48Å; L999-A1002 VanDerWaalsContact O-N 3.14Å; L999-G1003 PolarHBondContact O-N 3.19Å; L999-G1004 PolarHBondContact O-N 3.4Å; L999-G1004 VanDerWaalsContact O-N 3.08Å
1000	H	85.3	Confident	84.5	Confident	57 Å²	57	69.1 Å²	69.1	26%	0.264	35%	0.349	S	S	.	.	H	α-helix	trans	-63.4	-40.3	173.4	179.5	-144.9	0	0	0	111.6	L996 A1002 G1003 L1006 Y1031	L996-H1000 WeakPolarHBondContact O-CB 3.38Å; L996-H1000 PolarHBondContact O-N 3.15Å; H1000-A1002 PolarHBondContact O-N 3.41Å; H1000-G1003 PolarHBondContact O-N 2.85Å; H1000-L1006 HydrophobicContact CB-CD2 4.06Å; H1000-Y1031 AromaticContact ND1-CE1 3.83Å; H1000-Y1031 AromaticContact ND1-CZ 3.71Å; H1000-Y1031 PolarHBondContact ND1-OH 2.83Å
1001	R	84.6	Confident	84.5	Confident	180 Å²	180	70.1 Å²	70.1	68%	0.679	36%	0.361	S	S	*	.	H	α-helix	trans	-66.5	-22.5	173	-78.4	179.4	179.5	139.9	10	114.1	Q997 E998 L999	Q997-R1001 VanDerWaalsContact CD-NH2 3.34Å; Q997-R1001 WeakPolarHBondContact O-CB 3.38Å; Q997-R1001 VanDerWaalsContact O-CG 3.31Å; Q997-R1001 WeakPolarHBondContact O-CG 3.37Å; Q997-R1001 PolarHBondContact O-N 2.69Å; Q997-R1001 VanDerWaalsContact O-N 3.15Å; E998-R1001 CarbonylContact O-C 3.57Å; E998-R1001 PolarHBondContact O-N 2.75Å; L999-R1001 VanDerWaalsContact C-N 3.35Å; L999-R1001 PolarHBondContact O-N 2.93Å
1002	A	81.2	Confident	84.4	Confident	69 Å²	69	72.9 Å²	72.9	57%	0.57	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	0.8	171.8	0	0	0	0	0	113.2	P979 E998 L999 H1000	P979-A1002 HydrophobicContact CG-CB 4.4Å; E998-A1002 PolarHBondContact O-N 2.96Å; L999-A1002 WeakPolarHBondContact O-CB 3.19Å; L999-A1002 PolarHBondContact O-N 3.48Å; L999-A1002 VanDerWaalsContact O-N 3.14Å; H1000-A1002 PolarHBondContact O-N 3.41Å
1003	G	79.6	Confident	84.4	Confident	63 Å²	63	71.7 Å²	71.7	65%	0.649	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.8	12.7	177.9	0	0	0	0	0	115.1	L999 H1000	L999-G1003 PolarHBondContact O-N 3.19Å; H1000-G1003 PolarHBondContact O-N 2.85Å
1004	G	82.9	Confident	84.4	Confident	6 Å²	6	71 Å²	71	6%	0.062	36%	0.359	C	S	.	.			trans	-68.1	137.2	173.7	0	0	0	0	0	112.6	L999	L999-G1004 PolarHBondContact O-N 3.4Å; L999-G1004 VanDerWaalsContact O-N 3.08Å
1005	D	83.8	Confident	84.6	Confident	94 Å²	94	67.1 Å²	67.1	50%	0.503	33%	0.332	S	S	.	.			trans	-74.5	123.5	-175.4	176.2	29.5	0	0	0	113.1	L984 M1007 H1008	L984-D1005 WeakPolarHBondContact CD1-O 3.41Å; D1005-M1007 VanDerWaalsContact C-N 3.27Å; D1005-M1007 PolarHBondContact O-N 3.39Å; D1005-M1007 WeakPolarHBondContact OD1-CB 3.11Å; D1005-M1007 PolarHBondContact OD1-N 3.13Å; D1005-H1008 WeakPolarHBondContact O-CB 3.47Å; D1005-H1008 PolarHBondContact OD2-N 3.37Å
1006	L	85.3	Confident	84.8	Confident	7 Å²	7	63.7 Å²	63.7	4%	0.037	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-15.2	175.4	-63.8	-173.6	0	0	0	113.9	H1000 L1016 L1032 H1035 A1036	H1000-L1006 HydrophobicContact CB-CD2 4.06Å; L1006-L1016 HydrophobicContact CB-CD1 4.46Å; L1006-L1016 HydrophobicContact CD2-CD1 3.9Å; L1006-L1032 HydrophobicContact CB-CD2 4.46Å; L1006-L1032 HydrophobicContact CD1-CD2 4.2Å; L1006-L1032 HydrophobicContact CD2-CD2 3.92Å; L1006-L1032 HydrophobicContact CG-CD2 4.44Å; L1006-H1035 HydrophobicContact CD1-CB 4.11Å; L1006-A1036 HydrophobicContact CB-CB 4.14Å; L1006-A1036 HydrophobicContact CD1-CB 4.18Å
1007	M	85.1	Confident	85	Confident	45 Å²	45	63.7 Å²	63.7	22%	0.222	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	0.4	178.7	-75.1	-92.2	48.2	0	0	114.3	D1005 T1015 P1037 I1040	D1005-M1007 VanDerWaalsContact C-N 3.27Å; D1005-M1007 PolarHBondContact O-N 3.39Å; D1005-M1007 WeakPolarHBondContact OD1-CB 3.11Å; D1005-M1007 PolarHBondContact OD1-N 3.13Å; M1007-T1015 HydrophobicContact CE-CG2 3.86Å; M1007-P1037 HydrophobicContact CG-CG 3.68Å; M1007-P1037 HydrophobicContact SD-CG 3.74Å; M1007-I1040 HydrophobicContact CE-CB 3.65Å; M1007-I1040 HydrophobicContact CE-CD1 4.05Å; M1007-I1040 HydrophobicContact CE-CG1 3.62Å; M1007-I1040 HydrophobicContact SD-CB 4.07Å
1008	H	83.5	Confident	85.2	Confident	66 Å²	66	61.6 Å²	61.6	31%	0.306	31%	0.308	S	S	.	.			trans	-55.9	146.3	175.9	-169.1	77.4	0	0	0	112.5	G981 D1005	G981-H1008 VanDerWaalsContact C-CD2 3.43Å; G981-H1008 WeakPolarHBondContact CA-CD2 3.35Å; G981-H1008 WeakPolarHBondContact CA-NE2 3.33Å; D1005-H1008 WeakPolarHBondContact O-CB 3.47Å; D1005-H1008 PolarHBondContact OD2-N 3.37Å
1009	R	86.4	Confident	85.4	Confident	106 Å²	106	56.2 Å²	56.2	40%	0.4	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-126.3	143	-175.4	-69.4	-178.1	178.3	-150.7	0.1	111	S1013 R1014 T1015	R1009-S1013 WeakPolarHBondContact CD-O 3.25Å; R1009-R1014 VanDerWaalsContact CA-O 3.29Å; R1009-R1014 WeakPolarHBondContact CA-O 3.33Å; R1009-T1015 HydrophobicContact CG-CG2 3.96Å
1010	D	85.1	Confident	85.7	Confident	27 Å²	27	55.9 Å²	55.9	14%	0.144	28%	0.28	C	S	.	.			trans	-74.6	175.3	169.9	85.3	-11.6	0	0	0	112.6	I985 R1012 S1013 R1014 H1019	I985-D1010 HydrophobicContact CD1-CB 3.87Å; D1010-R1012 PolarHBondContact O-N 3.34Å; D1010-R1012 WeakPolarHBondContact OD1-CA 3.34Å; D1010-R1012 WeakPolarHBondContact OD1-CB 3.46Å; D1010-R1012 PolarHBondContact OD1-N 2.95Å; D1010-S1013 WeakPolarHBondContact O-CA 3.32Å; D1010-S1013 PolarHBondContact O-N 2.96Å; D1010-S1013 PolarHBondContact OD1-N 3.27Å; D1010-R1014 PolarHBondContact N-O 3.44Å; D1010-R1014 VanDerWaalsContact OD1-CB 3.28Å; D1010-R1014 WeakPolarHBondContact OD1-CB 3.45Å; D1010-R1014 PolarHBondContact OD1-N 3.23Å; D1010-R1014 IonicContact OD1-NE 2.7Å; D1010-R1014 IonicContact OD2-CZ 2.81Å; D1010-R1014 IonicContact OD2-NE 3.22Å; D1010-R1014 PolarHBondContact OD2-NE 3.2Å; D1010-R1014 IonicContact OD2-NH2 2.75Å; D1010-R1014 PolarHBondContact OD2-NH2 2.95Å; D1010-H1019 IonicContact OD2-CE1 3.21Å; D1010-H1019 IonicContact OD2-NE2 3.85Å
1011	E	83.3	Confident	86	Confident	199 Å²	199	53.1 Å²	53.1	93%	0.93	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-21.6	178.4	-58.7	179.2	131.6	0	0	113.9
1012	R	82.6	Confident	86.1	Confident	140 Å²	140	47.8 Å²	47.8	53%	0.528	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	21.3	178.7	-51.3	-172.3	-170.4	-168.1	-2.5	112.1	D1010 R1014 E1046	D1010-R1012 PolarHBondContact O-N 3.34Å; D1010-R1012 WeakPolarHBondContact OD1-CA 3.34Å; D1010-R1012 WeakPolarHBondContact OD1-CB 3.46Å; D1010-R1012 PolarHBondContact OD1-N 2.95Å; R1012-R1014 HydrophobicContact CB-CG 4.39Å; R1012-R1014 PolarHBondContact O-N 3.19Å; R1012-R1014 VanDerWaalsContact O-N 3.16Å; R1012-E1046 HydrophobicContact CB-CB 4.24Å; R1012-E1046 WeakPolarHBondContact O-CB 3.4Å; R1012-E1046 PolarHBondContact O-N 3.2Å
1013	S	84.8	Confident	86.4	Confident	49 Å²	49	47.1 Å²	47.1	34%	0.343	25%	0.247	S	C	.	.			trans	60.8	12.1	-175.5	-74.7	0	0	0	0	116.1	R1009 D1010 T1015	R1009-S1013 WeakPolarHBondContact CD-O 3.25Å; D1010-S1013 WeakPolarHBondContact O-CA 3.32Å; D1010-S1013 PolarHBondContact O-N 2.96Å; D1010-S1013 PolarHBondContact OD1-N 3.27Å; S1013-T1015 PolarHBondContact O-N 3.1Å
1014	R	86.8	Confident	86.7	Confident	55 Å²	55	45.3 Å²	45.3	21%	0.208	23%	0.228	C	C	.	.			trans	-75.5	125.8	-177.7	-64	-179.2	-62.1	-169	-0.1	110.9	R1009 D1010 R1012 H1018 E1045	R1009-R1014 VanDerWaalsContact CA-O 3.29Å; R1009-R1014 WeakPolarHBondContact CA-O 3.33Å; D1010-R1014 PolarHBondContact N-O 3.44Å; D1010-R1014 VanDerWaalsContact OD1-CB 3.28Å; D1010-R1014 WeakPolarHBondContact OD1-CB 3.45Å; D1010-R1014 PolarHBondContact OD1-N 3.23Å; D1010-R1014 IonicContact OD1-NE 2.7Å; D1010-R1014 IonicContact OD2-CZ 2.81Å; D1010-R1014 IonicContact OD2-NE 3.22Å; D1010-R1014 PolarHBondContact OD2-NE 3.2Å; D1010-R1014 IonicContact OD2-NH2 2.75Å; D1010-R1014 PolarHBondContact OD2-NH2 2.95Å; R1012-R1014 HydrophobicContact CB-CG 4.39Å; R1012-R1014 PolarHBondContact O-N 3.19Å; R1012-R1014 VanDerWaalsContact O-N 3.16Å; R1014-H1018 HydrophobicContact CB-CB 4.03Å; R1014-H1018 HydrophobicContact CG-CB 4.43Å; R1014-E1045 WeakPolarHBondContact CD-OE2 3.38Å; R1014-E1045 HydrophobicContact CG-CB 3.54Å; R1014-E1045 HydrophobicContact CG-CG 4.44Å; R1014-E1045 WeakPolarHBondContact CG-OE2 3.34Å
1015	T	89.9	Confident	86.9	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-76.6	164.6	173.1	62.4	0	0	0	0	111.5	M1007 R1009 S1013 L1017 H1018 H1019 I1040 A1043	M1007-T1015 HydrophobicContact CE-CG2 3.86Å; R1009-T1015 HydrophobicContact CG-CG2 3.96Å; S1013-T1015 PolarHBondContact O-N 3.1Å; T1015-L1017 PolarHBondContact O-N 3.37Å; T1015-H1018 WeakPolarHBondContact O-CB 3.22Å; T1015-H1018 PolarHBondContact O-N 3.13Å; T1015-H1018 PolarHBondContact OG1-ND1 3.46Å; T1015-H1019 PolarHBondContact O-CD2 2.92Å; T1015-H1019 PolarHBondContact O-N 3.37Å; T1015-I1040 HydrophobicContact CG2-CG1 4.49Å; T1015-A1043 HydrophobicContact CG2-CB 3.85Å
1016	L	88.6	Confident	87.2	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-50.4	-32.2	172.1	-60.8	-176.3	0	0	0	113.4	L984 I985 A988 L1006 H1019 A1020 L1032	L984-L1016 HydrophobicContact CB-CD1 4.12Å; L984-L1016 HydrophobicContact CB-CD2 4Å; L984-L1016 HydrophobicContact CD1-CD1 4.45Å; L984-L1016 HydrophobicContact CD2-CD1 4.45Å; I985-L1016 HydrophobicContact CB-CD2 4.28Å; I985-L1016 HydrophobicContact CG1-CD2 3.61Å; A988-L1016 HydrophobicContact CB-CD2 4.42Å; L1006-L1016 HydrophobicContact CB-CD1 4.46Å; L1006-L1016 HydrophobicContact CD2-CD1 3.9Å; L1016-H1019 PolarHBondContact O-N 2.67Å; L1016-A1020 WeakPolarHBondContact O-CB 3.47Å; L1016-A1020 PolarHBondContact O-N 3.19Å; L1016-L1032 HydrophobicContact CB-CD1 3.91Å; L1016-L1032 HydrophobicContact CB-CD2 4.23Å; L1016-L1032 HydrophobicContact CD1-CD2 4.31Å
1017	L	90.9	Very high	87.3	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-67.7	-35.4	178.1	-173.4	58.7	0	0	0	112.5	T1015 A1020 V1021 V1029 L1032 L1033 I1040 L1041 C1051	T1015-L1017 PolarHBondContact O-N 3.37Å; L1017-A1020 PolarHBondContact O-N 3.17Å; L1017-V1021 WeakPolarHBondContact O-CB 3.2Å; L1017-V1021 VanDerWaalsContact O-CG2 3.28Å; L1017-V1021 WeakPolarHBondContact O-CG2 3.49Å; L1017-V1021 PolarHBondContact O-N 3.38Å; L1017-V1029 HydrophobicContact CD1-CG1 4.31Å; L1017-V1029 HydrophobicContact CD1-CG2 4.17Å; L1017-L1032 HydrophobicContact CB-CD1 4.22Å; L1017-L1032 HydrophobicContact CD1-CB 4.39Å; L1017-L1032 HydrophobicContact CD1-CD1 4.27Å; L1017-L1033 HydrophobicContact CD2-CD2 4.35Å; L1017-I1040 HydrophobicContact CB-CD1 3.9Å; L1017-I1040 HydrophobicContact CB-CG1 3.88Å; L1017-I1040 HydrophobicContact CD2-CG1 4.14Å; L1017-I1040 HydrophobicContact CD2-CG2 4.19Å; L1017-L1041 HydrophobicContact CD2-CD2 4.35Å; L1017-C1051 HydrophobicContact CD2-CB 4.26Å; L1017-C1051 VanDerWaalsContact CD2-SG 3.58Å; L1017-C1051 HydrophobicContact CG-CB 4.06Å
1018	H	90.3	Very high	87.4	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-42.5	172.5	-67.3	77.6	0	0	0	110.7	R1014 T1015 A1020 V1021 S1022 A1043 C1051 Q1054	R1014-H1018 HydrophobicContact CB-CB 4.03Å; R1014-H1018 HydrophobicContact CG-CB 4.43Å; T1015-H1018 WeakPolarHBondContact O-CB 3.22Å; T1015-H1018 PolarHBondContact O-N 3.13Å; T1015-H1018 PolarHBondContact OG1-ND1 3.46Å; H1018-A1020 VanDerWaalsContact C-N 3.35Å; H1018-A1020 PolarHBondContact O-N 2.76Å; H1018-V1021 PolarHBondContact O-N 3.33Å; H1018-S1022 WeakPolarHBondContact O-CB 3.22Å; H1018-S1022 PolarHBondContact O-N 2.81Å; H1018-A1043 PolarHBondContact CE1-O 2.96Å; H1018-C1051 PolarHBondContact NE2-N 2.7Å; H1018-Q1054 PolarHBondContact O-OE1 3.13Å
1019	H	88.9	Confident	87.8	Confident	9 Å²	9	43.7 Å²	43.7	4%	0.042	22%	0.217	C	C	.	.	H	α-helix	trans	-64.8	-36.8	174.3	-63.9	-65	0	0	0	112.8	A988 K989 D1010 T1015 L1016 T1023	A988-H1019 HydrophobicContact CB-CB 3.99Å; K989-H1019 HydrophobicContact CG-CB 4.4Å; D1010-H1019 IonicContact OD2-CE1 3.21Å; D1010-H1019 IonicContact OD2-NE2 3.85Å; T1015-H1019 PolarHBondContact O-CD2 2.92Å; T1015-H1019 PolarHBondContact O-N 3.37Å; L1016-H1019 PolarHBondContact O-N 2.67Å; H1019-T1023 WeakPolarHBondContact O-CB 3.41Å; H1019-T1023 WeakPolarHBondContact O-CG2 3.37Å; H1019-T1023 PolarHBondContact O-N 3.19Å; H1019-T1023 PolarHBondContact O-OG1 3.11Å
1020	A	90.1	Very high	87.9	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-69.1	-34.5	176	0	0	0	0	0	113.1	L1016 L1017 H1018 T1023 G1024 S1025 V1028 V1029 L1032	L1016-A1020 WeakPolarHBondContact O-CB 3.47Å; L1016-A1020 PolarHBondContact O-N 3.19Å; L1017-A1020 PolarHBondContact O-N 3.17Å; H1018-A1020 VanDerWaalsContact C-N 3.35Å; H1018-A1020 PolarHBondContact O-N 2.76Å; A1020-T1023 PolarHBondContact O-OG1 3.24Å; A1020-G1024 PolarHBondContact O-N 3.33Å; A1020-S1025 PolarHBondContact O-N 3.43Å; A1020-V1028 HydrophobicContact CB-CB 4.19Å; A1020-V1028 HydrophobicContact CB-CG1 3.7Å; A1020-V1029 HydrophobicContact CB-CG2 3.75Å; A1020-L1032 HydrophobicContact CB-CD1 3.99Å
1021	V	91.6	Very high	88.1	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-70.7	-49.4	171.5	169.6	0	0	0	0	110.9	L1017 H1018 T1023 G1024 V1029 C1051 Q1054 A1055 Q1060 I1063 I1067	L1017-V1021 WeakPolarHBondContact O-CB 3.2Å; L1017-V1021 VanDerWaalsContact O-CG2 3.28Å; L1017-V1021 WeakPolarHBondContact O-CG2 3.49Å; L1017-V1021 PolarHBondContact O-N 3.38Å; H1018-V1021 PolarHBondContact O-N 3.33Å; V1021-T1023 PolarHBondContact O-N 3.06Å; V1021-G1024 WeakPolarHBondContact O-CA 3.35Å; V1021-G1024 PolarHBondContact O-N 3.39Å; V1021-V1029 HydrophobicContact CG2-CG2 4.34Å; V1021-C1051 HydrophobicContact CG2-CB 4.25Å; V1021-Q1054 HydrophobicContact CG1-CB 4.12Å; V1021-Q1054 HydrophobicContact CG1-CG 4.06Å; V1021-A1055 HydrophobicContact CG1-CB 3.7Å; V1021-Q1060 PolarHBondContact O-NE2 2.86Å; V1021-Q1060 PolarHBondContact O-OE1 3.43Å; V1021-Q1060 VanDerWaalsContact O-OE1 3.13Å; V1021-I1063 HydrophobicContact CG2-CG2 3.87Å; V1021-I1067 HydrophobicContact CG2-CD1 3.72Å
1022	S	88.2	Confident	88.3	Confident	68 Å²	68	32.9 Å²	32.9	48%	0.476	17%	0.166	S	C	.	.	H	α-helix	trans	-56.3	-35.8	179	-173.6	0	0	0	0	112.7	H1018	H1018-S1022 WeakPolarHBondContact O-CB 3.22Å; H1018-S1022 PolarHBondContact O-N 2.81Å
1023	T	86.4	Confident	88.6	Confident	54 Å²	54	28 Å²	28	33%	0.331	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-9.8	173.4	55.3	0	0	0	0	114.8	K989 H1019 A1020 V1021 S1025	K989-T1023 WeakPolarHBondContact O-CG2 3.22Å; H1019-T1023 WeakPolarHBondContact O-CB 3.41Å; H1019-T1023 WeakPolarHBondContact O-CG2 3.37Å; H1019-T1023 PolarHBondContact O-N 3.19Å; H1019-T1023 PolarHBondContact O-OG1 3.11Å; A1020-T1023 PolarHBondContact O-OG1 3.24Å; V1021-T1023 PolarHBondContact O-N 3.06Å; T1023-S1025 VanDerWaalsContact C-N 3.28Å; T1023-S1025 PolarHBondContact O-N 3.35Å
1024	G	86.6	Confident	88.8	Confident	25 Å²	25	31.5 Å²	31.5	26%	0.258	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	20.3	-176.8	0	0	0	0	0	114.6	A1020 V1021 K1026	A1020-G1024 PolarHBondContact O-N 3.33Å; V1021-G1024 WeakPolarHBondContact O-CA 3.35Å; V1021-G1024 PolarHBondContact O-N 3.39Å; G1024-K1026 PolarHBondContact O-N 3.41Å; G1024-K1026 VanDerWaalsContact O-N 3.09Å
1025	S	87.7	Confident	88.7	Confident	4 Å²	4	33.8 Å²	33.8	3%	0.028	18%	0.178	C	C	.	.			trans	-75.9	97.9	-175.3	-177	0	0	0	0	112.5	N991 A1020 T1023 D1027 V1028 V1029	N991-S1025 WeakPolarHBondContact OD1-CB 3.47Å; N991-S1025 PolarHBondContact OD1-OG 2.84Å; A1020-S1025 PolarHBondContact O-N 3.43Å; T1023-S1025 VanDerWaalsContact C-N 3.28Å; T1023-S1025 PolarHBondContact O-N 3.35Å; S1025-D1027 PolarHBondContact O-N 3.15Å; S1025-V1028 WeakPolarHBondContact OG-CB 3.39Å; S1025-V1028 VanDerWaalsContact OG-CG2 3.32Å; S1025-V1028 WeakPolarHBondContact OG-CG2 3.3Å; S1025-V1028 PolarHBondContact OG-N 3.25Å; S1025-V1029 VanDerWaalsContact O-CB 3.27Å; S1025-V1029 WeakPolarHBondContact O-CB 3.46Å; S1025-V1029 WeakPolarHBondContact O-CG2 3.5Å; S1025-V1029 PolarHBondContact O-N 3.14Å
1026	K	89.8	Confident	88.5	Confident	90 Å²	90	34.5 Å²	34.5	39%	0.391	18%	0.184	S	C	.	.	H	α-helix	trans	-64	-26.7	-179.7	-51.9	-170.5	-170.4	-162.2	0	113.4	G1024 R1030 T1062 I1063 Y1066	G1024-K1026 PolarHBondContact O-N 3.41Å; G1024-K1026 VanDerWaalsContact O-N 3.09Å; K1026-R1030 WeakPolarHBondContact O-CG 3.28Å; K1026-R1030 PolarHBondContact O-N 3.43Å; K1026-R1030 PolarHBondContact O-NH1 3.4Å; K1026-T1062 WeakPolarHBondContact CE-OG1 3.36Å; K1026-T1062 PolarHBondContact NZ-OG1 2.89Å; K1026-I1063 HydrophobicContact CG-CD1 3.97Å; K1026-I1063 HydrophobicContact CG-CG1 4.13Å; K1026-Y1066 HydrophobicContact CB-CE2 4.47Å
1027	D	87.5	Confident	88.3	Confident	90 Å²	90	37.3 Å²	37.3	48%	0.481	20%	0.202	S	C	.	.	H	α-helix	trans	-91.6	-36.3	-174.1	-56.4	-39.9	0	0	0	111.4	S1025 R1030 Y1031	S1025-D1027 PolarHBondContact O-N 3.15Å; D1027-R1030 IonicContact OD1-CZ 3.96Å; D1027-R1030 IonicContact OD1-NH1 3.83Å; D1027-R1030 PolarHBondContact OD1-NH1 3.48Å; D1027-R1030 IonicContact OD1-NH2 3.53Å; D1027-Y1031 WeakPolarHBondContact O-CB 3.2Å; D1027-Y1031 PolarHBondContact O-N 3.33Å; D1027-Y1031 VanDerWaalsContact O-N 3.15Å
1028	V	87.4	Confident	87.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.8	-43.5	165.9	178	0	0	0	0	110.5	F993 L996 A1020 S1025 R1030 Y1031 L1032	F993-V1028 HydrophobicContact CB-CG2 4.29Å; F993-V1028 HydrophobicContact CD2-CG2 4.14Å; L996-V1028 HydrophobicContact CD1-CG1 3.76Å; L996-V1028 HydrophobicContact CD2-CG1 4.46Å; A1020-V1028 HydrophobicContact CB-CB 4.19Å; A1020-V1028 HydrophobicContact CB-CG1 3.7Å; S1025-V1028 WeakPolarHBondContact OG-CB 3.39Å; S1025-V1028 VanDerWaalsContact OG-CG2 3.32Å; S1025-V1028 WeakPolarHBondContact OG-CG2 3.3Å; S1025-V1028 PolarHBondContact OG-N 3.25Å; V1028-R1030 PolarHBondContact O-N 3.4Å; V1028-Y1031 PolarHBondContact O-N 2.69Å; V1028-L1032 HydrophobicContact CG1-CD1 3.96Å; V1028-L1032 HydrophobicContact CG1-CG 4.21Å; V1028-L1032 WeakPolarHBondContact O-CG 3.34Å; V1028-L1032 PolarHBondContact O-N 3.23Å
1029	V	90.9	Very high	87.5	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-55	-51.7	175.3	164.9	0	0	0	0	110.9	L1017 A1020 V1021 S1025 Y1031 L1032 L1033 I1063 Y1066	L1017-V1029 HydrophobicContact CD1-CG1 4.31Å; L1017-V1029 HydrophobicContact CD1-CG2 4.17Å; A1020-V1029 HydrophobicContact CB-CG2 3.75Å; V1021-V1029 HydrophobicContact CG2-CG2 4.34Å; S1025-V1029 VanDerWaalsContact O-CB 3.27Å; S1025-V1029 WeakPolarHBondContact O-CB 3.46Å; S1025-V1029 WeakPolarHBondContact O-CG2 3.5Å; S1025-V1029 PolarHBondContact O-N 3.14Å; V1029-Y1031 PolarHBondContact O-N 3.31Å; V1029-L1032 PolarHBondContact O-N 3.2Å; V1029-L1033 HydrophobicContact CG1-CD1 3.7Å; V1029-L1033 HydrophobicContact CG1-CG 4.25Å; V1029-L1033 VanDerWaalsContact O-CG 3.22Å; V1029-L1033 WeakPolarHBondContact O-CG 3.48Å; V1029-L1033 PolarHBondContact O-N 3.43Å; V1029-I1063 HydrophobicContact CG1-CG2 4.42Å; V1029-I1063 HydrophobicContact CG2-CD1 4.36Å; V1029-I1063 HydrophobicContact CG2-CG1 4.44Å; V1029-I1063 HydrophobicContact CG2-CG2 4.3Å; V1029-Y1066 HydrophobicContact CG1-CD2 4.5Å
1030	R	89.5	Confident	87.4	Confident	85 Å²	85	47.1 Å²	47.1	32%	0.321	26%	0.256	S	S	.	.	H	α-helix	trans	-60.8	-42.6	178.8	-77.5	-168.6	-124.3	85.7	3.6	113	K1026 D1027 V1028 L1032 L1033 D1034 Y1066	K1026-R1030 WeakPolarHBondContact O-CG 3.28Å; K1026-R1030 PolarHBondContact O-N 3.43Å; K1026-R1030 PolarHBondContact O-NH1 3.4Å; D1027-R1030 IonicContact OD1-CZ 3.96Å; D1027-R1030 IonicContact OD1-NH1 3.83Å; D1027-R1030 PolarHBondContact OD1-NH1 3.48Å; D1027-R1030 IonicContact OD1-NH2 3.53Å; V1028-R1030 PolarHBondContact O-N 3.4Å; R1030-L1032 VanDerWaalsContact C-N 3.33Å; R1030-L1032 PolarHBondContact O-N 2.93Å; R1030-L1033 CarbonylContact O-C 3.53Å; R1030-L1033 PolarHBondContact O-N 3.3Å; R1030-L1033 VanDerWaalsContact O-N 3.14Å; R1030-D1034 WeakPolarHBondContact O-CB 3.26Å; R1030-D1034 VanDerWaalsContact O-CG 3.29Å; R1030-D1034 PolarHBondContact O-N 2.99Å; R1030-Y1066 HydrophobicContact CG-CD2 3.95Å; R1030-Y1066 HydrophobicContact CG-CE2 4Å; R1030-Y1066 HydrophobicContact CG-CG 4.44Å; R1030-Y1066 VanDerWaalsContact NE-CE2 3.28Å; R1030-Y1066 VanDerWaalsContact NE-CZ 3.29Å; R1030-Y1066 PolarHBondContact NE-OH 2.91Å; R1030-Y1066 PolarHBondContact NH2-OH 3.16Å; R1030-Y1066 VanDerWaalsContact NH2-OH 3.16Å
1031	Y	87.6	Confident	87.2	Confident	20 Å²	20	47.6 Å²	47.6	8%	0.078	26%	0.258	C	S	.	.	H	α-helix	trans	-66.2	-33.5	179.6	-179.4	-94.9	0	0	0	113.6	F993 L996 Q997 H1000 D1027 V1028 V1029 H1035	F993-Y1031 HydrophobicContact CE2-CD1 4.46Å; F993-Y1031 HydrophobicContact CE2-CD2 4Å; F993-Y1031 AromaticContact CE2-CG 3.79Å; F993-Y1031 HydrophobicContact CE2-CG 3.79Å; F993-Y1031 HydrophobicContact CZ-CD2 4.12Å; F993-Y1031 HydrophobicContact CZ-CG 4.38Å; L996-Y1031 HydrophobicContact CD2-CD1 3.63Å; L996-Y1031 HydrophobicContact CD2-CE1 3.68Å; Q997-Y1031 HydrophobicContact CB-CE2 4.47Å; Q997-Y1031 HydrophobicContact CG-CE2 4.22Å; Q997-Y1031 VanDerWaalsContact NE2-CE2 3.29Å; H1000-Y1031 AromaticContact ND1-CE1 3.83Å; H1000-Y1031 AromaticContact ND1-CZ 3.71Å; H1000-Y1031 PolarHBondContact ND1-OH 2.83Å; D1027-Y1031 WeakPolarHBondContact O-CB 3.2Å; D1027-Y1031 PolarHBondContact O-N 3.33Å; D1027-Y1031 VanDerWaalsContact O-N 3.15Å; V1028-Y1031 PolarHBondContact O-N 2.69Å; V1029-Y1031 PolarHBondContact O-N 3.31Å; Y1031-H1035 AromaticContact CD2-CD2 3.47Å; Y1031-H1035 VanDerWaalsContact CD2-CD2 3.47Å; Y1031-H1035 WeakPolarHBondContact CD2-CD2 3.28Å; Y1031-H1035 AromaticContact CD2-NE2 3.64Å; Y1031-H1035 AromaticContact CE2-CD2 3.22Å; Y1031-H1035 WeakPolarHBondContact CE2-CD2 3.32Å; Y1031-H1035 AromaticContact CE2-NE2 3.38Å; Y1031-H1035 WeakPolarHBondContact CE2-NE2 3.4Å; Y1031-H1035 AromaticContact CG-CD2 3.99Å; Y1031-H1035 AromaticContact CZ-CD2 3.54Å; Y1031-H1035 WeakPolarHBondContact O-CB 3.48Å; Y1031-H1035 PolarHBondContact O-CD2 2.79Å; Y1031-H1035 PolarHBondContact O-N 3.16Å
1032	L	88.1	Confident	87	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-68.5	-43.3	169.4	-69.8	177.1	0	0	0	111.1	L1006 L1016 L1017 A1020 V1028 V1029 R1030 D1034 H1035 A1036	L1006-L1032 HydrophobicContact CB-CD2 4.46Å; L1006-L1032 HydrophobicContact CD1-CD2 4.2Å; L1006-L1032 HydrophobicContact CD2-CD2 3.92Å; L1006-L1032 HydrophobicContact CG-CD2 4.44Å; L1016-L1032 HydrophobicContact CB-CD1 3.91Å; L1016-L1032 HydrophobicContact CB-CD2 4.23Å; L1016-L1032 HydrophobicContact CD1-CD2 4.31Å; L1017-L1032 HydrophobicContact CB-CD1 4.22Å; L1017-L1032 HydrophobicContact CD1-CB 4.39Å; L1017-L1032 HydrophobicContact CD1-CD1 4.27Å; A1020-L1032 HydrophobicContact CB-CD1 3.99Å; V1028-L1032 HydrophobicContact CG1-CD1 3.96Å; V1028-L1032 HydrophobicContact CG1-CG 4.21Å; V1028-L1032 WeakPolarHBondContact O-CG 3.34Å; V1028-L1032 PolarHBondContact O-N 3.23Å; V1029-L1032 PolarHBondContact O-N 3.2Å; R1030-L1032 VanDerWaalsContact C-N 3.33Å; R1030-L1032 PolarHBondContact O-N 2.93Å; L1032-D1034 VanDerWaalsContact C-N 3.31Å; L1032-D1034 PolarHBondContact O-N 2.87Å; L1032-H1035 PolarHBondContact O-N 3.45Å; L1032-A1036 WeakPolarHBondContact O-CB 3.44Å; L1032-A1036 PolarHBondContact O-N 3.45Å
1033	L	88.9	Confident	86.9	Confident	38 Å²	38	47 Å²	47	20%	0.199	25%	0.25	C	S	.	.	H	α-helix	trans	-66.1	-29.8	177.8	-66.1	174.8	0	0	0	113.6	L1017 V1029 R1030 L1041 A1070	L1017-L1033 HydrophobicContact CD2-CD2 4.35Å; V1029-L1033 HydrophobicContact CG1-CD1 3.7Å; V1029-L1033 HydrophobicContact CG1-CG 4.25Å; V1029-L1033 VanDerWaalsContact O-CG 3.22Å; V1029-L1033 WeakPolarHBondContact O-CG 3.48Å; V1029-L1033 PolarHBondContact O-N 3.43Å; R1030-L1033 CarbonylContact O-C 3.53Å; R1030-L1033 PolarHBondContact O-N 3.3Å; R1030-L1033 VanDerWaalsContact O-N 3.14Å; L1033-L1041 HydrophobicContact CD2-CD2 3.35Å; L1033-A1070 HydrophobicContact CD1-CB 4.4Å; L1033-A1070 HydrophobicContact CD2-CB 3.78Å
1034	D	88.5	Confident	87	Confident	123 Å²	123	47.1 Å²	47.1	66%	0.658	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-14	178.9	-71.8	-29.9	0	0	0	113.3	R1030 L1032	R1030-D1034 WeakPolarHBondContact O-CB 3.26Å; R1030-D1034 VanDerWaalsContact O-CG 3.29Å; R1030-D1034 PolarHBondContact O-N 2.99Å; L1032-D1034 VanDerWaalsContact C-N 3.31Å; L1032-D1034 PolarHBondContact O-N 2.87Å
1035	H	85.5	Confident	87	Confident	103 Å²	103	46.8 Å²	46.8	48%	0.477	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.9	-22.2	-168.2	-61.8	-26.7	0	0	0	117.1	L1006 Y1031 L1032	L1006-H1035 HydrophobicContact CD1-CB 4.11Å; Y1031-H1035 AromaticContact CD2-CD2 3.47Å; Y1031-H1035 VanDerWaalsContact CD2-CD2 3.47Å; Y1031-H1035 WeakPolarHBondContact CD2-CD2 3.28Å; Y1031-H1035 AromaticContact CD2-NE2 3.64Å; Y1031-H1035 AromaticContact CE2-CD2 3.22Å; Y1031-H1035 WeakPolarHBondContact CE2-CD2 3.32Å; Y1031-H1035 AromaticContact CE2-NE2 3.38Å; Y1031-H1035 WeakPolarHBondContact CE2-NE2 3.4Å; Y1031-H1035 AromaticContact CG-CD2 3.99Å; Y1031-H1035 AromaticContact CZ-CD2 3.54Å; Y1031-H1035 WeakPolarHBondContact O-CB 3.48Å; Y1031-H1035 PolarHBondContact O-CD2 2.79Å; Y1031-H1035 PolarHBondContact O-N 3.16Å; L1032-H1035 PolarHBondContact O-N 3.45Å
1036	A	86.4	Confident	86.8	Confident	14 Å²	14	52.4 Å²	52.4	12%	0.116	27%	0.269	C	S	.	.	S	Bend	trans	-83.7	152.4	172.2	0	0	0	0	0	110.4	L1006 L1032 I1040	L1006-A1036 HydrophobicContact CB-CB 4.14Å; L1006-A1036 HydrophobicContact CD1-CB 4.18Å; L1032-A1036 WeakPolarHBondContact O-CB 3.44Å; L1032-A1036 PolarHBondContact O-N 3.45Å; A1036-I1040 HydrophobicContact CB-CB 4.37Å; A1036-I1040 HydrophobicContact CB-CD1 3.68Å; A1036-I1040 HydrophobicContact CB-CG2 4.02Å
1037	P	82.9	Confident	86.3	Confident	59 Å²	59	51.9 Å²	51.9	38%	0.383	27%	0.27	S	S	.	.			trans	-72.2	151.2	-179.9	34.7	-38	0	0	0	110.6	M1007 E1039 I1040	M1007-P1037 HydrophobicContact CG-CG 3.68Å; M1007-P1037 HydrophobicContact SD-CG 3.74Å; P1037-E1039 WeakPolarHBondContact CB-OE2 3.4Å; P1037-E1039 PolarHBondContact O-N 3.07Å; P1037-I1040 WeakPolarHBondContact O-CB 3.42Å; P1037-I1040 VanDerWaalsContact O-CG2 3.22Å; P1037-I1040 WeakPolarHBondContact O-CG2 3.31Å; P1037-I1040 PolarHBondContact O-N 3.01Å
1038	P	81.3	Confident	86.1	Confident	88 Å²	88	48.2 Å²	48.2	57%	0.571	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-61.4	-20.9	-164.3	24.7	-35.2	0	0	0	114.7	I1040 L1041	P1038-I1040 PolarHBondContact O-N 3.17Å; P1038-I1040 VanDerWaalsContact O-N 3.11Å; P1038-L1041 WeakPolarHBondContact O-CB 3.45Å; P1038-L1041 WeakPolarHBondContact O-CG 3.48Å; P1038-L1041 PolarHBondContact O-N 3Å; P1038-L1041 VanDerWaalsContact O-N 3.15Å
1039	E	83.5	Confident	86.1	Confident	126 Å²	126	49.3 Å²	49.3	59%	0.589	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-58.1	-21.3	175	-62.7	72.5	-159.8	0	0	112.8	P1037 L1041 D1042 A1043	P1037-E1039 WeakPolarHBondContact CB-OE2 3.4Å; P1037-E1039 PolarHBondContact O-N 3.07Å; E1039-L1041 VanDerWaalsContact C-N 3.27Å; E1039-L1041 PolarHBondContact O-N 3.48Å; E1039-D1042 PolarHBondContact O-N 2.93Å; E1039-A1043 PolarHBondContact O-N 3.01Å
1040	I	86.7	Confident	86.1	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.01	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-62.1	-30.7	175.7	-163.7	166.5	0	0	0	113.8	M1007 T1015 L1017 A1036 P1037 P1038 D1042	M1007-I1040 HydrophobicContact CE-CB 3.65Å; M1007-I1040 HydrophobicContact CE-CD1 4.05Å; M1007-I1040 HydrophobicContact CE-CG1 3.62Å; M1007-I1040 HydrophobicContact SD-CB 4.07Å; T1015-I1040 HydrophobicContact CG2-CG1 4.49Å; L1017-I1040 HydrophobicContact CB-CD1 3.9Å; L1017-I1040 HydrophobicContact CB-CG1 3.88Å; L1017-I1040 HydrophobicContact CD2-CG1 4.14Å; L1017-I1040 HydrophobicContact CD2-CG2 4.19Å; A1036-I1040 HydrophobicContact CB-CB 4.37Å; A1036-I1040 HydrophobicContact CB-CD1 3.68Å; A1036-I1040 HydrophobicContact CB-CG2 4.02Å; P1037-I1040 WeakPolarHBondContact O-CB 3.42Å; P1037-I1040 VanDerWaalsContact O-CG2 3.22Å; P1037-I1040 WeakPolarHBondContact O-CG2 3.31Å; P1037-I1040 PolarHBondContact O-N 3.01Å; P1038-I1040 PolarHBondContact O-N 3.17Å; P1038-I1040 VanDerWaalsContact O-N 3.11Å; I1040-D1042 VanDerWaalsContact C-N 3.29Å; I1040-D1042 PolarHBondContact O-N 3.12Å
1041	L	86.6	Confident	86.1	Confident	11 Å²	11	45.3 Å²	45.3	6%	0.058	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-39.3	-178.5	-65	170.5	0	0	0	111.8	L1017 L1033 P1038 E1039 C1051 I1067 A1070 A1072	L1017-L1041 HydrophobicContact CD2-CD2 4.35Å; L1033-L1041 HydrophobicContact CD2-CD2 3.35Å; P1038-L1041 WeakPolarHBondContact O-CB 3.45Å; P1038-L1041 WeakPolarHBondContact O-CG 3.48Å; P1038-L1041 PolarHBondContact O-N 3Å; P1038-L1041 VanDerWaalsContact O-N 3.15Å; E1039-L1041 VanDerWaalsContact C-N 3.27Å; E1039-L1041 PolarHBondContact O-N 3.48Å; L1041-C1051 PolarHBondContact O-SG 2.98Å; L1041-C1051 VanDerWaalsContact O-SG 3.33Å; L1041-I1067 HydrophobicContact CD2-CG2 4.32Å; L1041-A1070 HydrophobicContact CD1-CB 4.08Å; L1041-A1070 WeakPolarHBondContact CD1-O 3.39Å; L1041-A1070 HydrophobicContact CD2-CB 3.87Å; L1041-A1072 HydrophobicContact CB-CB 4.01Å; L1041-A1072 HydrophobicContact CD2-CB 4.44Å
1042	D	86.1	Confident	86.4	Confident	47 Å²	47	44.4 Å²	44.4	25%	0.251	24%	0.24	S	C	.	.	S	Bend	trans	-106.3	2.2	-165.1	-113.1	48.9	0	0	0	112	E1039 I1040 S1073 K1076	E1039-D1042 PolarHBondContact O-N 2.93Å; I1040-D1042 VanDerWaalsContact C-N 3.29Å; I1040-D1042 PolarHBondContact O-N 3.12Å; D1042-S1073 WeakPolarHBondContact OD1-CB 3.43Å; D1042-S1073 PolarHBondContact OD1-N 2.84Å; D1042-S1073 WeakPolarHBondContact OD2-CB 3.41Å; D1042-K1076 VanDerWaalsContact CG-NZ 3.31Å; D1042-K1076 PolarHBondContact O-NZ 3.35Å; D1042-K1076 WeakPolarHBondContact OD2-CD 3.38Å; D1042-K1076 WeakPolarHBondContact OD2-CE 3.35Å; D1042-K1076 IonicContact OD2-NZ 3.7Å; D1042-K1076 PolarHBondContact OD2-NZ 2.94Å
1043	A	87.1	Confident	86.5	Confident	7 Å²	7	44.4 Å²	44.4	6%	0.058	24%	0.24	C	C	.	.			trans	-62.9	144.7	168.1	0	0	0	0	0	111.2	T1015 H1018 E1039	T1015-A1043 HydrophobicContact CG2-CB 3.85Å; H1018-A1043 PolarHBondContact CE1-O 2.96Å; E1039-A1043 PolarHBondContact O-N 3.01Å
1044	V	88.1	Confident	86.5	Confident	58 Å²	58	43.7 Å²	43.7	35%	0.352	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-113.9	146.7	177.3	-66.8	0	0	0	0	111.1	G1048 E1049 T1050	V1044-G1048 WeakPolarHBondContact CG1-O 3.27Å; V1044-E1049 VanDerWaalsContact CA-O 3.27Å; V1044-E1049 WeakPolarHBondContact CA-O 3.39Å; V1044-T1050 HydrophobicContact CG1-CG2 3.69Å
1045	E	87.5	Confident	86.7	Confident	17 Å²	17	37.9 Å²	37.9	8%	0.079	21%	0.205	C	C	.	.			trans	-84.1	177.8	166.3	66.4	164.1	-126.2	0	0	112.2	R1014 N1047 G1048 E1049	R1014-E1045 WeakPolarHBondContact CD-OE2 3.38Å; R1014-E1045 HydrophobicContact CG-CB 3.54Å; R1014-E1045 HydrophobicContact CG-CG 4.44Å; R1014-E1045 WeakPolarHBondContact CG-OE2 3.34Å; E1045-N1047 HydrophobicContact CG-CB 4.46Å; E1045-N1047 PolarHBondContact O-N 3.45Å; E1045-N1047 PolarHBondContact OE1-ND2 2.96Å; E1045-G1048 PolarHBondContact O-N 2.99Å; E1045-E1049 HydrophobicContact CG-CB 4.08Å; E1045-E1049 PolarHBondContact N-O 2.88Å
1046	E	83.6	Confident	87	Confident	122 Å²	122	33 Å²	33	57%	0.57	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-31	-179.7	-172.1	177.7	-167.5	0	0	114.4	R1012 G1048 Q1079	R1012-E1046 HydrophobicContact CB-CB 4.24Å; R1012-E1046 WeakPolarHBondContact O-CB 3.4Å; R1012-E1046 PolarHBondContact O-N 3.2Å; E1046-G1048 VanDerWaalsContact C-N 3.31Å; E1046-G1048 PolarHBondContact O-N 3.45Å; E1046-Q1079 PolarHBondContact O-NE2 3.42Å
1047	N	79.2	Confident	87.2	Confident	79 Å²	79	34.3 Å²	34.3	42%	0.422	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	1	177.4	-61.5	-60.8	0	0	0	114.4	E1045 E1049 Q1079	E1045-N1047 HydrophobicContact CG-CB 4.46Å; E1045-N1047 PolarHBondContact O-N 3.45Å; E1045-N1047 PolarHBondContact OE1-ND2 2.96Å; N1047-E1049 PolarHBondContact O-N 3.02Å; N1047-Q1079 WeakPolarHBondContact O-CB 3.18Å; N1047-Q1079 VanDerWaalsContact O-CD 3.3Å; N1047-Q1079 VanDerWaalsContact O-CG 3.24Å; N1047-Q1079 WeakPolarHBondContact O-CG 3.27Å; N1047-Q1079 PolarHBondContact O-N 3.47Å
1048	G	82.3	Confident	87.4	Confident	13 Å²	13	35.8 Å²	35.8	13%	0.134	20%	0.197	C	C	.	.	S	Bend	trans	74.3	-5.6	-171.9	0	0	0	0	0	115	V1044 E1045 E1046	V1044-G1048 WeakPolarHBondContact CG1-O 3.27Å; E1045-G1048 PolarHBondContact O-N 2.99Å; E1046-G1048 VanDerWaalsContact C-N 3.31Å; E1046-G1048 PolarHBondContact O-N 3.45Å
1049	E	87.9	Confident	87.7	Confident	23 Å²	23	33 Å²	33	11%	0.107	19%	0.185	C	C	.	.			trans	-62.2	141.8	171.9	-74.3	-161.9	-163.4	0	0	111	V1044 E1045 N1047 H1053 D1078 R1087	V1044-E1049 VanDerWaalsContact CA-O 3.27Å; V1044-E1049 WeakPolarHBondContact CA-O 3.39Å; E1045-E1049 HydrophobicContact CG-CB 4.08Å; E1045-E1049 PolarHBondContact N-O 2.88Å; N1047-E1049 PolarHBondContact O-N 3.02Å; E1049-H1053 HydrophobicContact CB-CB 4.03Å; E1049-H1053 HydrophobicContact CG-CB 4.06Å; E1049-D1078 HydrophobicContact CG-CB 3.99Å; E1049-R1087 IonicContact OE1-CZ 2.68Å; E1049-R1087 IonicContact OE1-NE 2.67Å; E1049-R1087 PolarHBondContact OE1-NE 3.01Å; E1049-R1087 IonicContact OE1-NH2 3.62Å; E1049-R1087 PolarHBondContact OE1-NH2 2.93Å
1050	T	90.9	Very high	88	Confident	2 Å²	2	28.7 Å²	28.7	1%	0.012	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-96	166.4	164.9	69.6	0	0	0	0	110.7	V1044 L1052 H1053 Q1054 K1076	V1044-T1050 HydrophobicContact CG1-CG2 3.69Å; T1050-L1052 PolarHBondContact O-N 3.26Å; T1050-L1052 PolarHBondContact OG1-N 3.02Å; T1050-H1053 PolarHBondContact N-ND1 2.64Å; T1050-H1053 WeakPolarHBondContact O-CB 3.28Å; T1050-H1053 PolarHBondContact O-N 2.69Å; T1050-H1053 PolarHBondContact OG1-ND1 3.27Å; T1050-Q1054 PolarHBondContact O-N 2.75Å; T1050-Q1054 VanDerWaalsContact O-N 3.16Å; T1050-K1076 HydrophobicContact CG2-CB 4.37Å; T1050-K1076 HydrophobicContact CG2-CD 4.03Å
1051	C	89.9	Confident	88.1	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-54.8	-25.6	175.5	70.5	0	0	0	0	113.5	L1017 H1018 V1021 L1041 A1055	L1017-C1051 HydrophobicContact CD2-CB 4.26Å; L1017-C1051 VanDerWaalsContact CD2-SG 3.58Å; L1017-C1051 HydrophobicContact CG-CB 4.06Å; H1018-C1051 PolarHBondContact NE2-N 2.7Å; V1021-C1051 HydrophobicContact CG2-CB 4.25Å; L1041-C1051 PolarHBondContact O-SG 2.98Å; L1041-C1051 VanDerWaalsContact O-SG 3.33Å; C1051-A1055 VanDerWaalsContact O-CB 3.32Å; C1051-A1055 WeakPolarHBondContact O-CB 3.48Å; C1051-A1055 PolarHBondContact O-N 3.38Å
1052	L	92.6	Very high	88.2	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-78.7	-33	175.1	-170.9	56.3	0	0	0	113.4	T1050 A1056 C1064 I1067 V1068 A1072 L1074 P1084	T1050-L1052 PolarHBondContact O-N 3.26Å; T1050-L1052 PolarHBondContact OG1-N 3.02Å; L1052-A1056 VanDerWaalsContact O-CB 3.28Å; L1052-A1056 WeakPolarHBondContact O-CB 3.32Å; L1052-A1056 PolarHBondContact O-N 3.19Å; L1052-C1064 HydrophobicContact CD1-CB 4.08Å; L1052-I1067 HydrophobicContact CB-CG2 3.95Å; L1052-I1067 HydrophobicContact CD1-CB 4.23Å; L1052-I1067 HydrophobicContact CD1-CG2 3.98Å; L1052-I1067 HydrophobicContact CD2-CG2 4.44Å; L1052-I1067 HydrophobicContact CG-CG2 4.33Å; L1052-V1068 HydrophobicContact CD1-CG2 3.95Å; L1052-V1068 HydrophobicContact CD2-CG2 3.72Å; L1052-A1072 HydrophobicContact CD2-CB 4.24Å; L1052-L1074 HydrophobicContact CD2-CD2 3.69Å; L1052-P1084 HydrophobicContact CB-CG 4.4Å; L1052-P1084 HydrophobicContact CD2-CB 4.32Å; L1052-P1084 HydrophobicContact CD2-CG 4.22Å; L1052-P1084 HydrophobicContact CG-CB 3.92Å; L1052-P1084 HydrophobicContact CG-CG 4.12Å
1053	H	91.1	Very high	88.3	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.3	-47.5	170.7	-68.7	80.1	0	0	0	110	E1049 T1050 A1055 A1056 A1057 K1076 D1078 D1082 P1084	E1049-H1053 HydrophobicContact CB-CB 4.03Å; E1049-H1053 HydrophobicContact CG-CB 4.06Å; T1050-H1053 PolarHBondContact N-ND1 2.64Å; T1050-H1053 WeakPolarHBondContact O-CB 3.28Å; T1050-H1053 PolarHBondContact O-N 2.69Å; T1050-H1053 PolarHBondContact OG1-ND1 3.27Å; H1053-A1055 PolarHBondContact O-N 3.07Å; H1053-A1056 PolarHBondContact O-N 3.24Å; H1053-A1057 WeakPolarHBondContact O-CB 3.39Å; H1053-A1057 PolarHBondContact O-N 3.31Å; H1053-K1076 PolarHBondContact CE1-O 3.22Å; H1053-K1076 VanDerWaalsContact CE1-O 3.23Å; H1053-K1076 PolarHBondContact NE2-O 2.67Å; H1053-D1078 PolarHBondContact NE2-N 2.92Å; H1053-D1082 PolarHBondContact NE2-O 3.46Å; H1053-D1082 VanDerWaalsContact NE2-O 3.07Å; H1053-P1084 WeakPolarHBondContact NE2-CD 3.44Å
1054	Q	89.9	Confident	88.5	Confident	24 Å²	24	33 Å²	33	11%	0.112	18%	0.181	C	C	.	.	H	α-helix	trans	-64.1	-42	178.5	-168.9	173.2	73.9	0	0	112	H1018 V1021 T1050 A1056 A1057 L1058	H1018-Q1054 PolarHBondContact O-OE1 3.13Å; V1021-Q1054 HydrophobicContact CG1-CB 4.12Å; V1021-Q1054 HydrophobicContact CG1-CG 4.06Å; T1050-Q1054 PolarHBondContact O-N 2.75Å; T1050-Q1054 VanDerWaalsContact O-N 3.16Å; Q1054-A1056 VanDerWaalsContact C-N 3.31Å; Q1054-A1056 PolarHBondContact O-N 2.99Å; Q1054-A1057 PolarHBondContact O-N 3.29Å; Q1054-L1058 HydrophobicContact CG-CD1 4.01Å; Q1054-L1058 WeakPolarHBondContact O-CB 3.24Å; Q1054-L1058 VanDerWaalsContact O-CG 3.26Å; Q1054-L1058 WeakPolarHBondContact O-CG 3.37Å; Q1054-L1058 PolarHBondContact O-N 2.81Å
1055	A	91.9	Very high	88.5	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.6	-36.4	175.5	0	0	0	0	0	112.4	V1021 C1051 H1053 G1059 Q1060 I1063 C1064 I1067	V1021-A1055 HydrophobicContact CG1-CB 3.7Å; C1051-A1055 VanDerWaalsContact O-CB 3.32Å; C1051-A1055 WeakPolarHBondContact O-CB 3.48Å; C1051-A1055 PolarHBondContact O-N 3.38Å; H1053-A1055 PolarHBondContact O-N 3.07Å; A1055-G1059 PolarHBondContact O-N 3.5Å; A1055-Q1060 PolarHBondContact O-N 2.94Å; A1055-I1063 HydrophobicContact CB-CG2 4.04Å; A1055-C1064 WeakPolarHBondContact CB-SG 3.26Å; A1055-C1064 PolarHBondContact O-SG 3.25Å; A1055-I1067 HydrophobicContact CB-CD1 4.26Å
1056	A	91.5	Very high	88.7	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-70.8	-44.9	175.6	0	0	0	0	0	112.6	L1052 H1053 Q1054 L1058 G1059 P1084 R1087 A1088 L1100	L1052-A1056 VanDerWaalsContact O-CB 3.28Å; L1052-A1056 WeakPolarHBondContact O-CB 3.32Å; L1052-A1056 PolarHBondContact O-N 3.19Å; H1053-A1056 PolarHBondContact O-N 3.24Å; Q1054-A1056 VanDerWaalsContact C-N 3.31Å; Q1054-A1056 PolarHBondContact O-N 2.99Å; A1056-L1058 VanDerWaalsContact C-N 3.27Å; A1056-L1058 PolarHBondContact O-N 3.24Å; A1056-G1059 PolarHBondContact O-N 3.21Å; A1056-P1084 HydrophobicContact CB-CB 4.46Å; A1056-P1084 VanDerWaalsContact CB-O 3.26Å; A1056-P1084 WeakPolarHBondContact CB-O 3.32Å; A1056-R1087 HydrophobicContact CB-CB 4.33Å; A1056-A1088 HydrophobicContact CB-CB 4.12Å; A1056-L1100 HydrophobicContact CB-CD1 4.38Å
1057	A	89.9	Confident	89	Confident	42 Å²	42	29.8 Å²	29.8	35%	0.347	16%	0.16	S	C	.	.	H	α-helix	trans	-58.9	-38.1	175.3	0	0	0	0	0	112.3	H1053 Q1054 G1059 R1087	H1053-A1057 WeakPolarHBondContact O-CB 3.39Å; H1053-A1057 PolarHBondContact O-N 3.31Å; Q1054-A1057 PolarHBondContact O-N 3.29Å; A1057-G1059 VanDerWaalsContact C-N 3.29Å; A1057-G1059 PolarHBondContact O-N 3.15Å; A1057-R1087 HydrophobicContact CB-CG 3.85Å
1058	L	88.4	Confident	89.5	Confident	90 Å²	90	26.5 Å²	26.5	47%	0.471	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	5.8	178	-63.2	173.4	0	0	0	113.6	Q1054 A1056 Q1060	Q1054-L1058 HydrophobicContact CG-CD1 4.01Å; Q1054-L1058 WeakPolarHBondContact O-CB 3.24Å; Q1054-L1058 VanDerWaalsContact O-CG 3.26Å; Q1054-L1058 WeakPolarHBondContact O-CG 3.37Å; Q1054-L1058 PolarHBondContact O-N 2.81Å; A1056-L1058 VanDerWaalsContact C-N 3.27Å; A1056-L1058 PolarHBondContact O-N 3.24Å; L1058-Q1060 HydrophobicContact CB-CG 3.76Å; L1058-Q1060 WeakPolarHBondContact O-CG 3.37Å; L1058-Q1060 PolarHBondContact O-N 3.18Å
1059	G	87.6	Confident	89.7	Confident	30 Å²	30	32 Å²	32	31%	0.309	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	22.2	178.6	0	0	0	0	0	114.7	A1055 A1056 A1057 R1061	A1055-G1059 PolarHBondContact O-N 3.5Å; A1056-G1059 PolarHBondContact O-N 3.21Å; A1057-G1059 VanDerWaalsContact C-N 3.29Å; A1057-G1059 PolarHBondContact O-N 3.15Å; G1059-R1061 PolarHBondContact O-N 3.43Å
1060	Q	88.9	Confident	89.5	Confident	36 Å²	36	33.1 Å²	33.1	17%	0.168	18%	0.178	C	C	.	.			trans	-83.3	58.6	-168.3	-61.3	-173.7	10	0	0	113	V1021 A1055 L1058 T1062 I1063 C1064	V1021-Q1060 PolarHBondContact O-NE2 2.86Å; V1021-Q1060 PolarHBondContact O-OE1 3.43Å; V1021-Q1060 VanDerWaalsContact O-OE1 3.13Å; A1055-Q1060 PolarHBondContact O-N 2.94Å; L1058-Q1060 HydrophobicContact CB-CG 3.76Å; L1058-Q1060 WeakPolarHBondContact O-CG 3.37Å; L1058-Q1060 PolarHBondContact O-N 3.18Å; Q1060-T1062 VanDerWaalsContact C-N 3.28Å; Q1060-T1062 PolarHBondContact O-N 3.05Å; Q1060-I1063 HydrophobicContact CB-CB 4.12Å; Q1060-I1063 WeakPolarHBondContact O-CA 3.3Å; Q1060-I1063 PolarHBondContact O-N 3.45Å; Q1060-C1064 PolarHBondContact O-N 2.86Å
1061	R	89.6	Confident	89.1	Confident	102 Å²	102	35.3 Å²	35.3	39%	0.385	20%	0.202	S	C	.	.	H	α-helix	trans	-36.3	-49.2	-175.7	-61.5	177.6	177.7	-165.9	-5.7	115.5	G1059 I1063 C1064 H1065 D1093 E1095 L1096	G1059-R1061 PolarHBondContact O-N 3.43Å; R1061-I1063 PolarHBondContact O-N 3.07Å; R1061-C1064 PolarHBondContact O-N 2.96Å; R1061-H1065 PolarHBondContact O-CD2 3.33Å; R1061-H1065 VanDerWaalsContact O-CG 3.3Å; R1061-H1065 PolarHBondContact O-N 3.24Å; R1061-D1093 WeakPolarHBondContact CG-OD2 3.42Å; R1061-D1093 IonicContact CZ-OD1 3.36Å; R1061-D1093 IonicContact CZ-OD2 2.71Å; R1061-D1093 IonicContact NE-OD1 3.62Å; R1061-D1093 PolarHBondContact NE-OD1 3.48Å; R1061-D1093 IonicContact NE-OD2 2.66Å; R1061-D1093 PolarHBondContact NE-OD2 3.35Å; R1061-D1093 IonicContact NH2-OD1 3.55Å; R1061-D1093 PolarHBondContact NH2-OD1 2.91Å; R1061-D1093 IonicContact NH2-OD2 2.85Å; R1061-E1095 IonicContact CZ-OE2 2.63Å; R1061-E1095 IonicContact NH1-OE2 3.87Å; R1061-E1095 PolarHBondContact NH1-OE2 2.94Å; R1061-E1095 IonicContact NH2-OE2 2.79Å; R1061-E1095 PolarHBondContact NH2-OE2 3.16Å; R1061-L1096 HydrophobicContact CG-CB 4.36Å; R1061-L1096 HydrophobicContact CG-CD2 4.39Å
1062	T	87.4	Confident	89	Confident	54 Å²	54	35.4 Å²	35.4	33%	0.331	20%	0.202	S	C	.	.	H	α-helix	trans	-69	-28.8	-179	52.1	0	0	0	0	114.5	K1026 Q1060 Y1066	K1026-T1062 WeakPolarHBondContact CE-OG1 3.36Å; K1026-T1062 PolarHBondContact NZ-OG1 2.89Å; Q1060-T1062 VanDerWaalsContact C-N 3.28Å; Q1060-T1062 PolarHBondContact O-N 3.05Å; T1062-Y1066 VanDerWaalsContact O-CD2 3.3Å; T1062-Y1066 WeakPolarHBondContact O-CD2 3.42Å; T1062-Y1066 PolarHBondContact O-N 3.34Å
1063	I	89.9	Confident	88.6	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-82.2	-39.1	176.7	-77.8	167.5	0	0	0	109.6	V1021 K1026 V1029 A1055 Q1060 R1061 H1065 Y1066 I1067	V1021-I1063 HydrophobicContact CG2-CG2 3.87Å; K1026-I1063 HydrophobicContact CG-CD1 3.97Å; K1026-I1063 HydrophobicContact CG-CG1 4.13Å; V1029-I1063 HydrophobicContact CG1-CG2 4.42Å; V1029-I1063 HydrophobicContact CG2-CD1 4.36Å; V1029-I1063 HydrophobicContact CG2-CG1 4.44Å; V1029-I1063 HydrophobicContact CG2-CG2 4.3Å; A1055-I1063 HydrophobicContact CB-CG2 4.04Å; Q1060-I1063 HydrophobicContact CB-CB 4.12Å; Q1060-I1063 WeakPolarHBondContact O-CA 3.3Å; Q1060-I1063 PolarHBondContact O-N 3.45Å; R1061-I1063 PolarHBondContact O-N 3.07Å; I1063-H1065 VanDerWaalsContact C-N 3.27Å; I1063-H1065 PolarHBondContact O-N 2.89Å; I1063-Y1066 PolarHBondContact O-N 3.01Å; I1063-Y1066 VanDerWaalsContact O-N 3.13Å; I1063-I1067 HydrophobicContact CG2-CD1 3.67Å; I1063-I1067 HydrophobicContact CG2-CG1 4.44Å; I1063-I1067 WeakPolarHBondContact O-CG1 3.46Å; I1063-I1067 PolarHBondContact O-N 2.9Å
1064	C	90.9	Very high	88.4	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-55.5	-42.2	168	-57.1	0	0	0	0	111.9	L1052 A1055 Q1060 R1061 I1067 V1068 L1096	L1052-C1064 HydrophobicContact CD1-CB 4.08Å; A1055-C1064 WeakPolarHBondContact CB-SG 3.26Å; A1055-C1064 PolarHBondContact O-SG 3.25Å; Q1060-C1064 PolarHBondContact O-N 2.86Å; R1061-C1064 PolarHBondContact O-N 2.96Å; C1064-I1067 PolarHBondContact O-N 3.28Å; C1064-V1068 WeakPolarHBondContact O-CB 3.43Å; C1064-V1068 VanDerWaalsContact O-CG2 3.25Å; C1064-V1068 WeakPolarHBondContact O-CG2 3.43Å; C1064-V1068 PolarHBondContact O-N 3.24Å; C1064-L1096 HydrophobicContact CB-CD1 3.82Å
1065	H	88.5	Confident	88.1	Confident	62 Å²	62	39 Å²	39	29%	0.287	22%	0.223	S	C	.	.	H	α-helix	trans	-59.4	-47.1	174.2	-71.6	-39.2	0	0	0	112.5	R1061 I1063 V1068 E1069 Y1099	R1061-H1065 PolarHBondContact O-CD2 3.33Å; R1061-H1065 VanDerWaalsContact O-CG 3.3Å; R1061-H1065 PolarHBondContact O-N 3.24Å; I1063-H1065 VanDerWaalsContact C-N 3.27Å; I1063-H1065 PolarHBondContact O-N 2.89Å; H1065-V1068 PolarHBondContact O-N 2.91Å; H1065-E1069 VanDerWaalsContact O-CB 3.28Å; H1065-E1069 WeakPolarHBondContact O-CB 3.37Å; H1065-E1069 VanDerWaalsContact O-CG 3.27Å; H1065-E1069 WeakPolarHBondContact O-CG 3.37Å; H1065-E1069 PolarHBondContact O-N 3.37Å; H1065-Y1099 AromaticContact CE1-CD1 3.86Å; H1065-Y1099 AromaticContact CE1-CD2 3.62Å; H1065-Y1099 AromaticContact CE1-CE1 3.79Å; H1065-Y1099 AromaticContact CE1-CE2 3.51Å; H1065-Y1099 AromaticContact CE1-CG 3.78Å; H1065-Y1099 AromaticContact CE1-CZ 3.61Å; H1065-Y1099 AromaticContact ND1-CD1 3.84Å; H1065-Y1099 AromaticContact ND1-CE1 3.32Å; H1065-Y1099 VanDerWaalsContact ND1-CE1 3.32Å; H1065-Y1099 WeakPolarHBondContact ND1-CE1 3.5Å; H1065-Y1099 AromaticContact ND1-CE2 3.5Å; H1065-Y1099 WeakPolarHBondContact ND1-CE2 3.22Å; H1065-Y1099 AromaticContact ND1-CZ 3.11Å; H1065-Y1099 PolarHBondContact ND1-OH 2.82Å
1066	Y	89.9	Confident	87.7	Confident	67 Å²	67	42.5 Å²	42.5	26%	0.263	24%	0.239	S	C	.	.	H	α-helix	trans	-65.2	-41.3	179.6	-58.9	-29.6	0	0	0	112.7	K1026 V1029 R1030 T1062 I1063 E1069 A1070	K1026-Y1066 HydrophobicContact CB-CE2 4.47Å; V1029-Y1066 HydrophobicContact CG1-CD2 4.5Å; R1030-Y1066 HydrophobicContact CG-CD2 3.95Å; R1030-Y1066 HydrophobicContact CG-CE2 4Å; R1030-Y1066 HydrophobicContact CG-CG 4.44Å; R1030-Y1066 VanDerWaalsContact NE-CE2 3.28Å; R1030-Y1066 VanDerWaalsContact NE-CZ 3.29Å; R1030-Y1066 PolarHBondContact NE-OH 2.91Å; R1030-Y1066 PolarHBondContact NH2-OH 3.16Å; R1030-Y1066 VanDerWaalsContact NH2-OH 3.16Å; T1062-Y1066 VanDerWaalsContact O-CD2 3.3Å; T1062-Y1066 WeakPolarHBondContact O-CD2 3.42Å; T1062-Y1066 PolarHBondContact O-N 3.34Å; I1063-Y1066 PolarHBondContact O-N 3.01Å; I1063-Y1066 VanDerWaalsContact O-N 3.13Å; Y1066-E1069 PolarHBondContact O-N 3.04Å; Y1066-A1070 WeakPolarHBondContact O-CB 3.5Å; Y1066-A1070 PolarHBondContact O-N 3.09Å
1067	I	89.8	Confident	87.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-67.6	-38.4	179.2	-66.5	167.7	0	0	0	111.2	V1021 L1041 L1052 A1055 I1063 C1064 G1071 A1072	V1021-I1067 HydrophobicContact CG2-CD1 3.72Å; L1041-I1067 HydrophobicContact CD2-CG2 4.32Å; L1052-I1067 HydrophobicContact CB-CG2 3.95Å; L1052-I1067 HydrophobicContact CD1-CB 4.23Å; L1052-I1067 HydrophobicContact CD1-CG2 3.98Å; L1052-I1067 HydrophobicContact CD2-CG2 4.44Å; L1052-I1067 HydrophobicContact CG-CG2 4.33Å; A1055-I1067 HydrophobicContact CB-CD1 4.26Å; I1063-I1067 HydrophobicContact CG2-CD1 3.67Å; I1063-I1067 HydrophobicContact CG2-CG1 4.44Å; I1063-I1067 WeakPolarHBondContact O-CG1 3.46Å; I1063-I1067 PolarHBondContact O-N 2.9Å; C1064-I1067 PolarHBondContact O-N 3.28Å; I1067-G1071 PolarHBondContact O-N 3.13Å; I1067-A1072 HydrophobicContact CG2-CB 3.52Å; I1067-A1072 WeakPolarHBondContact O-CB 3.43Å; I1067-A1072 PolarHBondContact O-N 3.02Å
1068	V	90.1	Very high	87.3	Confident	11 Å²	11	44.4 Å²	44.4	7%	0.067	25%	0.246	C	C	.	.	H	α-helix	trans	-73.8	-34.6	175.5	172.9	0	0	0	0	112.3	L1052 C1064 H1065 A1070 G1071 L1074 Y1099 L1100 R1103	L1052-V1068 HydrophobicContact CD1-CG2 3.95Å; L1052-V1068 HydrophobicContact CD2-CG2 3.72Å; C1064-V1068 WeakPolarHBondContact O-CB 3.43Å; C1064-V1068 VanDerWaalsContact O-CG2 3.25Å; C1064-V1068 WeakPolarHBondContact O-CG2 3.43Å; C1064-V1068 PolarHBondContact O-N 3.24Å; H1065-V1068 PolarHBondContact O-N 2.91Å; V1068-A1070 VanDerWaalsContact C-N 3.33Å; V1068-G1071 PolarHBondContact O-N 3.5Å; V1068-L1074 HydrophobicContact CG1-CD1 4.42Å; V1068-L1074 HydrophobicContact CG2-CD2 3.98Å; V1068-Y1099 HydrophobicContact CB-CE1 4.35Å; V1068-Y1099 HydrophobicContact CG1-CE1 4.17Å; V1068-Y1099 HydrophobicContact CG2-CE1 4.48Å; V1068-L1100 HydrophobicContact CG2-CD2 3.98Å; V1068-R1103 HydrophobicContact CG1-CB 4.3Å; V1068-R1103 HydrophobicContact CG1-CG 4.03Å
1069	E	86.1	Confident	87.1	Confident	127 Å²	127	46.5 Å²	46.5	59%	0.593	25%	0.253	S	S	*	.	H	α-helix	trans	-73	-25.4	174.7	-73.5	177.7	168	0	0	112.8	H1065 Y1066 G1071 R1103	H1065-E1069 VanDerWaalsContact O-CB 3.28Å; H1065-E1069 WeakPolarHBondContact O-CB 3.37Å; H1065-E1069 VanDerWaalsContact O-CG 3.27Å; H1065-E1069 WeakPolarHBondContact O-CG 3.37Å; H1065-E1069 PolarHBondContact O-N 3.37Å; Y1066-E1069 PolarHBondContact O-N 3.04Å; E1069-G1071 VanDerWaalsContact C-N 3.27Å; E1069-R1103 IonicContact OE1-NH2 2.68Å
1070	A	84.2	Confident	86.9	Confident	47 Å²	47	50.3 Å²	50.3	39%	0.388	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-11.3	168.8	0	0	0	0	0	113.9	L1033 L1041 Y1066 V1068	L1033-A1070 HydrophobicContact CD1-CB 4.4Å; L1033-A1070 HydrophobicContact CD2-CB 3.78Å; L1041-A1070 HydrophobicContact CD1-CB 4.08Å; L1041-A1070 WeakPolarHBondContact CD1-O 3.39Å; L1041-A1070 HydrophobicContact CD2-CB 3.87Å; Y1066-A1070 WeakPolarHBondContact O-CB 3.5Å; Y1066-A1070 PolarHBondContact O-N 3.09Å; V1068-A1070 VanDerWaalsContact C-N 3.33Å
1071	G	83.3	Confident	86.6	Confident	49 Å²	49	50.5 Å²	50.5	51%	0.505	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.5	18.8	171.8	0	0	0	0	0	116.5	I1067 V1068 E1069	I1067-G1071 PolarHBondContact O-N 3.13Å; V1068-G1071 PolarHBondContact O-N 3.5Å; E1069-G1071 VanDerWaalsContact C-N 3.27Å
1072	A	86.5	Confident	86.5	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.008	26%	0.259	C	S	.	.			trans	-56.9	148.9	176.6	0	0	0	0	0	113.3	L1041 L1052 I1067 L1074 Q1107	L1041-A1072 HydrophobicContact CB-CB 4.01Å; L1041-A1072 HydrophobicContact CD2-CB 4.44Å; L1052-A1072 HydrophobicContact CD2-CB 4.24Å; I1067-A1072 HydrophobicContact CG2-CB 3.52Å; I1067-A1072 WeakPolarHBondContact O-CB 3.43Å; I1067-A1072 PolarHBondContact O-N 3.02Å; A1072-L1074 PolarHBondContact O-N 3.42Å; A1072-Q1107 PolarHBondContact O-NE2 3.35Å; A1072-Q1107 VanDerWaalsContact O-NE2 3.15Å
1073	S	85.6	Confident	86.6	Confident	32 Å²	32	44.3 Å²	44.3	22%	0.224	25%	0.247	C	C	.	.			trans	-71.7	121.8	178.5	-176.8	0	0	0	0	111.9	D1042 M1075	D1042-S1073 WeakPolarHBondContact OD1-CB 3.43Å; D1042-S1073 PolarHBondContact OD1-N 2.84Å; D1042-S1073 WeakPolarHBondContact OD2-CB 3.41Å; S1073-M1075 VanDerWaalsContact C-N 3.33Å; S1073-M1075 PolarHBondContact OG-N 3.42Å
1074	L	86.8	Confident	86.6	Confident	5 Å²	5	44.2 Å²	44.2	3%	0.026	25%	0.247	C	C	.	.	S	Bend	trans	-84.1	-8.6	172.7	-67.4	164.1	0	0	0	113	L1052 V1068 A1072 L1100 R1103 Q1104	L1052-L1074 HydrophobicContact CD2-CD2 3.69Å; V1068-L1074 HydrophobicContact CG1-CD1 4.42Å; V1068-L1074 HydrophobicContact CG2-CD2 3.98Å; A1072-L1074 PolarHBondContact O-N 3.42Å; L1074-L1100 HydrophobicContact CD2-CB 4.42Å; L1074-L1100 HydrophobicContact CD2-CD2 3.55Å; L1074-R1103 HydrophobicContact CD1-CB 3.41Å; L1074-R1103 VanDerWaalsContact CD1-CB 3.41Å; L1074-Q1104 HydrophobicContact CB-CB 4.32Å; L1074-Q1104 HydrophobicContact CD1-CB 4.45Å
1075	M	83.1	Confident	86.6	Confident	63 Å²	63	46.9 Å²	46.9	31%	0.31	26%	0.257	S	S	.	.	S	Bend	trans	-95.4	-11.6	-175.9	-60.4	-44.1	104.8	0	0	114	S1073 Q1104 M1108	S1073-M1075 VanDerWaalsContact C-N 3.33Å; S1073-M1075 PolarHBondContact OG-N 3.42Å; M1075-Q1104 HydrophobicContact CE-CB 3.53Å; M1075-Q1104 HydrophobicContact CE-CG 3.4Å; M1075-Q1104 VanDerWaalsContact CE-CG 3.4Å; M1075-Q1104 HydrophobicContact SD-CG 4.06Å; M1075-Q1104 PolarHBondContact SD-NE2 2.84Å; M1075-M1108 HydrophobicContact SD-CG 4.13Å; M1075-M1108 HydrophobicContact SD-SD 4.49Å
1076	K	83.3	Confident	86.7	Confident	74 Å²	74	47.3 Å²	47.3	32%	0.322	26%	0.259	S	S	.	.			trans	-65.9	141.5	175.3	-79.1	-177.1	165.9	168.9	0	110.2	D1042 T1050 H1053 P1084	D1042-K1076 VanDerWaalsContact CG-NZ 3.31Å; D1042-K1076 PolarHBondContact O-NZ 3.35Å; D1042-K1076 WeakPolarHBondContact OD2-CD 3.38Å; D1042-K1076 WeakPolarHBondContact OD2-CE 3.35Å; D1042-K1076 IonicContact OD2-NZ 3.7Å; D1042-K1076 PolarHBondContact OD2-NZ 2.94Å; T1050-K1076 HydrophobicContact CG2-CB 4.37Å; T1050-K1076 HydrophobicContact CG2-CD 4.03Å; H1053-K1076 PolarHBondContact CE1-O 3.22Å; H1053-K1076 VanDerWaalsContact CE1-O 3.23Å; H1053-K1076 PolarHBondContact NE2-O 2.67Å; K1076-P1084 WeakPolarHBondContact O-CD 3.43Å
1077	T	87.2	Confident	86.6	Confident	75 Å²	75	46.2 Å²	46.2	46%	0.46	26%	0.255	S	S	.	.			trans	-112.1	148.3	173.5	54.5	0	0	0	0	110.7	D1082 T1083	T1077-D1082 CarbonylContact C-O 3.49Å; T1077-D1082 WeakPolarHBondContact CA-O 3.29Å; T1077-T1083 HydrophobicContact CG2-CG2 3.86Å
1078	D	86.5	Confident	86.6	Confident	7 Å²	7	46.2 Å²	46.2	4%	0.037	26%	0.255	C	S	.	.			trans	-72.6	179.7	167.2	67.8	23.3	0	0	0	112.5	E1049 H1053 Q1080 G1081 D1082 R1087	E1049-D1078 HydrophobicContact CG-CB 3.99Å; H1053-D1078 PolarHBondContact NE2-N 2.92Å; D1078-Q1080 PolarHBondContact O-N 2.83Å; D1078-Q1080 VanDerWaalsContact O-N 3.17Å; D1078-Q1080 VanDerWaalsContact OD1-CA 3.3Å; D1078-Q1080 WeakPolarHBondContact OD1-CA 3.48Å; D1078-Q1080 WeakPolarHBondContact OD1-CB 3.49Å; D1078-Q1080 PolarHBondContact OD1-N 2.89Å; D1078-G1081 PolarHBondContact O-N 3.2Å; D1078-G1081 PolarHBondContact OD1-N 3.07Å; D1078-G1081 VanDerWaalsContact OD1-N 3.12Å; D1078-D1082 PolarHBondContact N-O 2.97Å; D1078-D1082 PolarHBondContact OD1-N 3.37Å; D1078-R1087 IonicContact OD2-CZ 3.17Å; D1078-R1087 IonicContact OD2-NE 3.16Å; D1078-R1087 IonicContact OD2-NH1 2.83Å; D1078-R1087 PolarHBondContact OD2-NH1 3.34Å; D1078-R1087 IonicContact OD2-NH2 3.92Å
1079	Q	84.6	Confident	86.5	Confident	133 Å²	133	49.7 Å²	49.7	62%	0.621	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-11.4	177.5	-75.6	170.9	11	0	0	114.5	E1046 N1047	E1046-Q1079 PolarHBondContact O-NE2 3.42Å; N1047-Q1079 WeakPolarHBondContact O-CB 3.18Å; N1047-Q1079 VanDerWaalsContact O-CD 3.3Å; N1047-Q1079 VanDerWaalsContact O-CG 3.24Å; N1047-Q1079 WeakPolarHBondContact O-CG 3.27Å; N1047-Q1079 PolarHBondContact O-N 3.47Å
1080	Q	82.4	Confident	86.6	Confident	111 Å²	111	50 Å²	50	52%	0.519	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-2.3	172.4	-61.7	90.8	78.3	0	0	112.2	D1078 D1082 R1087	D1078-Q1080 PolarHBondContact O-N 2.83Å; D1078-Q1080 VanDerWaalsContact O-N 3.17Å; D1078-Q1080 VanDerWaalsContact OD1-CA 3.3Å; D1078-Q1080 WeakPolarHBondContact OD1-CA 3.48Å; D1078-Q1080 WeakPolarHBondContact OD1-CB 3.49Å; D1078-Q1080 PolarHBondContact OD1-N 2.89Å; Q1080-D1082 VanDerWaalsContact C-N 3.33Å; Q1080-R1087 VanDerWaalsContact OE1-NH2 3.08Å
1081	G	83.4	Confident	86.8	Confident	40 Å²	40	49.7 Å²	49.7	41%	0.412	27%	0.267	S	S	.	.	S	Bend	trans	80.3	9.9	-176.2	0	0	0	0	0	114.1	D1078	D1078-G1081 PolarHBondContact O-N 3.2Å; D1078-G1081 PolarHBondContact OD1-N 3.07Å; D1078-G1081 VanDerWaalsContact OD1-N 3.12Å
1082	D	87.1	Confident	87	Confident	11 Å²	11	55.6 Å²	55.6	6%	0.059	28%	0.282	C	S	.	.			trans	-79	136.3	173.7	-67.8	-34.9	0	0	0	110.3	H1053 T1077 D1078 Q1080 Q1086 R1087 K1090	H1053-D1082 PolarHBondContact NE2-O 3.46Å; H1053-D1082 VanDerWaalsContact NE2-O 3.07Å; T1077-D1082 CarbonylContact C-O 3.49Å; T1077-D1082 WeakPolarHBondContact CA-O 3.29Å; D1078-D1082 PolarHBondContact N-O 2.97Å; D1078-D1082 PolarHBondContact OD1-N 3.37Å; Q1080-D1082 VanDerWaalsContact C-N 3.33Å; D1082-Q1086 HydrophobicContact CB-CB 4.1Å; D1082-R1087 IonicContact OD2-CZ 2.88Å; D1082-R1087 IonicContact OD2-NH1 3.58Å; D1082-R1087 PolarHBondContact OD2-NH1 2.89Å; D1082-K1090 VanDerWaalsContact OD1-CE 3.28Å; D1082-K1090 WeakPolarHBondContact OD1-CE 3.44Å; D1082-K1090 IonicContact OD1-NZ 3.92Å; D1082-K1090 PolarHBondContact OD1-NZ 3.43Å; D1082-K1090 WeakPolarHBondContact OD2-CE 3.48Å; D1082-K1090 IonicContact OD2-NZ 3.23Å; D1082-K1090 PolarHBondContact OD2-NZ 3.39Å
1083	T	89.7	Confident	87	Confident	14 Å²	14	56.3 Å²	56.3	9%	0.086	29%	0.285	C	S	.	.			trans	-79.7	166.3	160.7	60	0	0	0	0	111.3	T1077 R1085 Q1086 R1087	T1077-T1083 HydrophobicContact CG2-CG2 3.86Å; T1083-R1085 PolarHBondContact O-N 3.08Å; T1083-R1085 VanDerWaalsContact O-N 3.1Å; T1083-Q1086 PolarHBondContact O-N 3.14Å; T1083-Q1086 PolarHBondContact OG1-N 2.66Å; T1083-Q1086 PolarHBondContact OG1-OE1 2.85Å; T1083-R1087 PolarHBondContact O-N 2.93Å
1084	P	89.7	Confident	87	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-58.2	-29.1	175	-22.4	32.4	0	0	0	113	L1052 H1053 A1056 K1076 R1087 A1088 L1100	L1052-P1084 HydrophobicContact CB-CG 4.4Å; L1052-P1084 HydrophobicContact CD2-CB 4.32Å; L1052-P1084 HydrophobicContact CD2-CG 4.22Å; L1052-P1084 HydrophobicContact CG-CB 3.92Å; L1052-P1084 HydrophobicContact CG-CG 4.12Å; H1053-P1084 WeakPolarHBondContact NE2-CD 3.44Å; A1056-P1084 HydrophobicContact CB-CB 4.46Å; A1056-P1084 VanDerWaalsContact CB-O 3.26Å; A1056-P1084 WeakPolarHBondContact CB-O 3.32Å; K1076-P1084 WeakPolarHBondContact O-CD 3.43Å; P1084-R1087 PolarHBondContact O-N 3.3Å; P1084-A1088 PolarHBondContact O-N 3.27Å; P1084-L1100 HydrophobicContact CB-CD1 4.45Å
1085	R	91.5	Very high	86.8	Confident	55 Å²	55	65.9 Å²	65.9	21%	0.208	33%	0.334	C	S	.	.	H	α-helix	trans	-64.2	-49.8	173.5	176.2	-118.1	167.9	102	13.5	111.2	T1083 R1087 A1088 E1089 L1100 E1101	T1083-R1085 PolarHBondContact O-N 3.08Å; T1083-R1085 VanDerWaalsContact O-N 3.1Å; R1085-R1087 VanDerWaalsContact C-N 3.29Å; R1085-R1087 PolarHBondContact O-N 3.34Å; R1085-A1088 WeakPolarHBondContact O-CB 3.44Å; R1085-A1088 PolarHBondContact O-N 3.18Å; R1085-E1089 IonicContact CZ-OE1 3.16Å; R1085-E1089 VanDerWaalsContact CZ-OE1 3.25Å; R1085-E1089 IonicContact NE-OE1 3.57Å; R1085-E1089 PolarHBondContact NE-OE1 2.99Å; R1085-E1089 IonicContact NE-OE2 2.94Å; R1085-E1089 IonicContact NH2-OE1 2.81Å; R1085-E1089 PolarHBondContact NH2-OE1 3.03Å; R1085-E1089 WeakPolarHBondContact O-CG 3.18Å; R1085-E1089 PolarHBondContact O-N 3.4Å; R1085-L1100 HydrophobicContact CB-CB 4.01Å; R1085-L1100 HydrophobicContact CG-CB 4.44Å; R1085-E1101 HydrophobicContact CG-CB 4.44Å; R1085-E1101 IonicContact CZ-OE1 3.35Å; R1085-E1101 VanDerWaalsContact NH1-CD 3.25Å; R1085-E1101 VanDerWaalsContact NH1-CG 3.32Å; R1085-E1101 IonicContact NH1-OE1 3.35Å; R1085-E1101 PolarHBondContact NH1-OE1 2.76Å; R1085-E1101 IonicContact NH2-OE1 3.69Å; R1085-E1101 PolarHBondContact NH2-OE1 3.42Å; R1085-E1101 IonicContact NH2-OE2 2.67Å
1086	Q	89.1	Confident	86.9	Confident	72 Å²	72	63 Å²	63	34%	0.336	32%	0.32	S	S	.	.	H	α-helix	trans	-64.7	-33.5	175.8	-73.1	153.5	-64.5	0	0	112	D1082 T1083 E1089 K1090	D1082-Q1086 HydrophobicContact CB-CB 4.1Å; T1083-Q1086 PolarHBondContact O-N 3.14Å; T1083-Q1086 PolarHBondContact OG1-N 2.66Å; T1083-Q1086 PolarHBondContact OG1-OE1 2.85Å; Q1086-E1089 PolarHBondContact O-N 2.96Å; Q1086-K1090 WeakPolarHBondContact O-CG 3.38Å; Q1086-K1090 PolarHBondContact O-N 2.87Å
1087	R	88.7	Confident	87.1	Confident	44 Å²	44	59.6 Å²	59.6	17%	0.166	31%	0.306	C	S	.	.	H	α-helix	trans	-64	-40.3	172.6	-139.8	72.3	169.6	179.6	-8.7	112.1	E1049 A1056 A1057 D1078 Q1080 D1082 T1083 P1084 R1085 K1090 A1091	E1049-R1087 IonicContact OE1-CZ 2.68Å; E1049-R1087 IonicContact OE1-NE 2.67Å; E1049-R1087 PolarHBondContact OE1-NE 3.01Å; E1049-R1087 IonicContact OE1-NH2 3.62Å; E1049-R1087 PolarHBondContact OE1-NH2 2.93Å; A1056-R1087 HydrophobicContact CB-CB 4.33Å; A1057-R1087 HydrophobicContact CB-CG 3.85Å; D1078-R1087 IonicContact OD2-CZ 3.17Å; D1078-R1087 IonicContact OD2-NE 3.16Å; D1078-R1087 IonicContact OD2-NH1 2.83Å; D1078-R1087 PolarHBondContact OD2-NH1 3.34Å; D1078-R1087 IonicContact OD2-NH2 3.92Å; Q1080-R1087 VanDerWaalsContact OE1-NH2 3.08Å; D1082-R1087 IonicContact OD2-CZ 2.88Å; D1082-R1087 IonicContact OD2-NH1 3.58Å; D1082-R1087 PolarHBondContact OD2-NH1 2.89Å; T1083-R1087 PolarHBondContact O-N 2.93Å; P1084-R1087 PolarHBondContact O-N 3.3Å; R1085-R1087 VanDerWaalsContact C-N 3.29Å; R1085-R1087 PolarHBondContact O-N 3.34Å; R1087-K1090 PolarHBondContact O-N 3.08Å; R1087-A1091 WeakPolarHBondContact O-CB 3.28Å; R1087-A1091 PolarHBondContact O-N 3.04Å
1088	A	90	Very high	87	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-65.4	-37.8	172.3	0	0	0	0	0	113	A1056 P1084 R1085 A1091 Q1092 D1093 L1096 A1097 L1100	A1056-A1088 HydrophobicContact CB-CB 4.12Å; P1084-A1088 PolarHBondContact O-N 3.27Å; R1085-A1088 WeakPolarHBondContact O-CB 3.44Å; R1085-A1088 PolarHBondContact O-N 3.18Å; A1088-A1091 CarbonylContact O-C 3.56Å; A1088-A1091 PolarHBondContact O-N 3.41Å; A1088-Q1092 PolarHBondContact O-N 3.1Å; A1088-D1093 PolarHBondContact O-N 3.09Å; A1088-L1096 HydrophobicContact CB-CB 4.32Å; A1088-L1096 HydrophobicContact CB-CD2 4.14Å; A1088-L1096 HydrophobicContact CB-CG 4.01Å; A1088-A1097 HydrophobicContact CB-CB 4.31Å; A1088-L1100 HydrophobicContact CB-CD1 4.06Å
1089	E	87.9	Confident	87.1	Confident	83 Å²	83	60.4 Å²	60.4	39%	0.388	31%	0.31	S	S	.	.	H	α-helix	trans	-65.4	-42.3	174.8	-69.3	176.4	172.6	0	0	111.6	R1085 Q1086 A1091 Q1092 A1097	R1085-E1089 IonicContact CZ-OE1 3.16Å; R1085-E1089 VanDerWaalsContact CZ-OE1 3.25Å; R1085-E1089 IonicContact NE-OE1 3.57Å; R1085-E1089 PolarHBondContact NE-OE1 2.99Å; R1085-E1089 IonicContact NE-OE2 2.94Å; R1085-E1089 IonicContact NH2-OE1 2.81Å; R1085-E1089 PolarHBondContact NH2-OE1 3.03Å; R1085-E1089 WeakPolarHBondContact O-CG 3.18Å; R1085-E1089 PolarHBondContact O-N 3.4Å; Q1086-E1089 PolarHBondContact O-N 2.96Å; E1089-A1091 VanDerWaalsContact C-N 3.31Å; E1089-A1091 PolarHBondContact O-N 2.97Å; E1089-Q1092 WeakPolarHBondContact O-CA 3.34Å; E1089-Q1092 PolarHBondContact O-N 3.4Å; E1089-A1097 HydrophobicContact CG-CB 3.4Å; E1089-A1097 VanDerWaalsContact CG-CB 3.4Å
1090	K	88.6	Confident	87.1	Confident	133 Å²	133	54 Å²	54	58%	0.578	28%	0.281	S	S	*	.	H	α-helix	trans	-64.8	-32.9	173.1	-70.7	179.8	-173.7	-179.8	0	112.6	D1082 Q1086 R1087 Q1092	D1082-K1090 VanDerWaalsContact OD1-CE 3.28Å; D1082-K1090 WeakPolarHBondContact OD1-CE 3.44Å; D1082-K1090 IonicContact OD1-NZ 3.92Å; D1082-K1090 PolarHBondContact OD1-NZ 3.43Å; D1082-K1090 WeakPolarHBondContact OD2-CE 3.48Å; D1082-K1090 IonicContact OD2-NZ 3.23Å; D1082-K1090 PolarHBondContact OD2-NZ 3.39Å; Q1086-K1090 WeakPolarHBondContact O-CG 3.38Å; Q1086-K1090 PolarHBondContact O-N 2.87Å; R1087-K1090 PolarHBondContact O-N 3.08Å; K1090-Q1092 PolarHBondContact O-N 2.98Å
1091	A	87.4	Confident	87.2	Confident	42 Å²	42	52.9 Å²	52.9	35%	0.347	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	3.8	170.1	0	0	0	0	0	114.3	R1087 A1088 E1089 D1093	R1087-A1091 WeakPolarHBondContact O-CB 3.28Å; R1087-A1091 PolarHBondContact O-N 3.04Å; A1088-A1091 CarbonylContact O-C 3.56Å; A1088-A1091 PolarHBondContact O-N 3.41Å; E1089-A1091 VanDerWaalsContact C-N 3.31Å; E1089-A1091 PolarHBondContact O-N 2.97Å; A1091-D1093 PolarHBondContact O-N 3.28Å
1092	Q	88.3	Confident	87.2	Confident	172 Å²	172	55.4 Å²	55.4	80%	0.804	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	10.1	-179.1	-52.6	-174.5	1	0	0	115.6	A1088 E1089 K1090 T1094	A1088-Q1092 PolarHBondContact O-N 3.1Å; E1089-Q1092 WeakPolarHBondContact O-CA 3.34Å; E1089-Q1092 PolarHBondContact O-N 3.4Å; K1090-Q1092 PolarHBondContact O-N 2.98Å; Q1092-T1094 PolarHBondContact O-N 2.9Å
1093	D	86.4	Confident	87	Confident	17 Å²	17	59.4 Å²	59.4	9%	0.091	29%	0.294	C	S	.	.			trans	-86.3	78.2	178.1	-166.2	-11.9	0	0	0	111.6	R1061 A1088 A1091 E1095 L1096 A1097	R1061-D1093 WeakPolarHBondContact CG-OD2 3.42Å; R1061-D1093 IonicContact CZ-OD1 3.36Å; R1061-D1093 IonicContact CZ-OD2 2.71Å; R1061-D1093 IonicContact NE-OD1 3.62Å; R1061-D1093 PolarHBondContact NE-OD1 3.48Å; R1061-D1093 IonicContact NE-OD2 2.66Å; R1061-D1093 PolarHBondContact NE-OD2 3.35Å; R1061-D1093 IonicContact NH2-OD1 3.55Å; R1061-D1093 PolarHBondContact NH2-OD1 2.91Å; R1061-D1093 IonicContact NH2-OD2 2.85Å; A1088-D1093 PolarHBondContact O-N 3.09Å; A1091-D1093 PolarHBondContact O-N 3.28Å; D1093-E1095 PolarHBondContact O-N 3.18Å; D1093-E1095 PolarHBondContact OD1-N 3.3Å; D1093-L1096 HydrophobicContact CB-CB 3.93Å; D1093-L1096 PolarHBondContact O-N 2.92Å; D1093-L1096 VanDerWaalsContact O-N 3.13Å; D1093-L1096 PolarHBondContact OD1-N 2.93Å; D1093-L1096 VanDerWaalsContact OD1-N 3.13Å; D1093-L1096 WeakPolarHBondContact OD2-CB 3.49Å; D1093-A1097 PolarHBondContact O-N 2.78Å
1094	T	84.4	Confident	86.4	Confident	109 Å²	109	60.5 Å²	60.5	67%	0.669	30%	0.297	S	S	*	.	H	α-helix	trans	-62	-26.1	-178.8	55.1	0	0	0	0	114.2	Q1092 A1098	Q1092-T1094 PolarHBondContact O-N 2.9Å; T1094-A1098 WeakPolarHBondContact O-CB 3.17Å; T1094-A1098 PolarHBondContact O-N 3.48Å
1095	E	83.5	Confident	85.5	Confident	128 Å²	128	65.9 Å²	65.9	60%	0.598	32%	0.323	S	S	*	.	H	α-helix	trans	-76.4	-35.5	175.4	-62.3	-176.8	124.5	0	0	111.5	R1061 D1093 Y1099	R1061-E1095 IonicContact CZ-OE2 2.63Å; R1061-E1095 IonicContact NH1-OE2 3.87Å; R1061-E1095 PolarHBondContact NH1-OE2 2.94Å; R1061-E1095 IonicContact NH2-OE2 2.79Å; R1061-E1095 PolarHBondContact NH2-OE2 3.16Å; D1093-E1095 PolarHBondContact O-N 3.18Å; D1093-E1095 PolarHBondContact OD1-N 3.3Å; E1095-Y1099 PolarHBondContact O-N 3.14Å
1096	L	86.2	Confident	84.3	Confident	3 Å²	3	70 Å²	70	2%	0.016	34%	0.339	C	S	.	.	H	α-helix	trans	-71.7	-41.7	173.8	-178.3	56.5	0	0	0	111.8	R1061 C1064 A1088 D1093 A1098 Y1099 L1100	R1061-L1096 HydrophobicContact CG-CB 4.36Å; R1061-L1096 HydrophobicContact CG-CD2 4.39Å; C1064-L1096 HydrophobicContact CB-CD1 3.82Å; A1088-L1096 HydrophobicContact CB-CB 4.32Å; A1088-L1096 HydrophobicContact CB-CD2 4.14Å; A1088-L1096 HydrophobicContact CB-CG 4.01Å; D1093-L1096 HydrophobicContact CB-CB 3.93Å; D1093-L1096 PolarHBondContact O-N 2.92Å; D1093-L1096 VanDerWaalsContact O-N 3.13Å; D1093-L1096 PolarHBondContact OD1-N 2.93Å; D1093-L1096 VanDerWaalsContact OD1-N 3.13Å; D1093-L1096 WeakPolarHBondContact OD2-CB 3.49Å; L1096-A1098 PolarHBondContact O-N 2.58Å; L1096-Y1099 HydrophobicContact CD1-CD1 4.47Å; L1096-Y1099 WeakPolarHBondContact O-CB 3.48Å; L1096-Y1099 PolarHBondContact O-N 2.83Å; L1096-Y1099 VanDerWaalsContact O-N 3.17Å; L1096-L1100 HydrophobicContact CD1-CD1 4.24Å; L1096-L1100 HydrophobicContact CD1-CG 4.23Å; L1096-L1100 HydrophobicContact CG-CD1 4.07Å; L1096-L1100 HydrophobicContact CG-CG 4.5Å; L1096-L1100 WeakPolarHBondContact O-CG 3.48Å; L1096-L1100 PolarHBondContact O-N 3.44Å
1097	A	87	Confident	83.1	Confident	3 Å²	3	69.1 Å²	69.1	3%	0.025	34%	0.335	C	S	.	.	H	α-helix	trans	-55.8	-49.4	174.2	0	0	0	0	0	112	A1088 E1089 D1093 Y1099 L1100 E1101	A1088-A1097 HydrophobicContact CB-CB 4.31Å; E1089-A1097 HydrophobicContact CG-CB 3.4Å; E1089-A1097 VanDerWaalsContact CG-CB 3.4Å; D1093-A1097 PolarHBondContact O-N 2.78Å; A1097-Y1099 VanDerWaalsContact C-N 3.3Å; A1097-Y1099 PolarHBondContact O-N 2.92Å; A1097-L1100 PolarHBondContact O-N 3.06Å; A1097-E1101 WeakPolarHBondContact O-CB 3.44Å; A1097-E1101 PolarHBondContact O-N 2.96Å
1098	A	85	Confident	81.7	Confident	48 Å²	48	71 Å²	71	40%	0.397	35%	0.346	S	S	.	.	H	α-helix	trans	-65.4	-29.1	177.5	0	0	0	0	0	113.4	T1094 L1096 N1102	T1094-A1098 WeakPolarHBondContact O-CB 3.17Å; T1094-A1098 PolarHBondContact O-N 3.48Å; L1096-A1098 PolarHBondContact O-N 2.58Å; A1098-N1102 VanDerWaalsContact O-CB 3.3Å; A1098-N1102 WeakPolarHBondContact O-CB 3.38Å; A1098-N1102 PolarHBondContact O-N 2.86Å
1099	Y	88	Confident	80.1	Confident	50 Å²	50	73.9 Å²	73.9	20%	0.196	36%	0.361	C	S	.	.	H	α-helix	trans	-68	-46.8	171	172.9	-95.3	0	0	0	111.7	H1065 V1068 E1095 L1096 A1097 N1102 R1103	H1065-Y1099 AromaticContact CE1-CD1 3.86Å; H1065-Y1099 AromaticContact CE1-CD2 3.62Å; H1065-Y1099 AromaticContact CE1-CE1 3.79Å; H1065-Y1099 AromaticContact CE1-CE2 3.51Å; H1065-Y1099 AromaticContact CE1-CG 3.78Å; H1065-Y1099 AromaticContact CE1-CZ 3.61Å; H1065-Y1099 AromaticContact ND1-CD1 3.84Å; H1065-Y1099 AromaticContact ND1-CE1 3.32Å; H1065-Y1099 VanDerWaalsContact ND1-CE1 3.32Å; H1065-Y1099 WeakPolarHBondContact ND1-CE1 3.5Å; H1065-Y1099 AromaticContact ND1-CE2 3.5Å; H1065-Y1099 WeakPolarHBondContact ND1-CE2 3.22Å; H1065-Y1099 AromaticContact ND1-CZ 3.11Å; H1065-Y1099 PolarHBondContact ND1-OH 2.82Å; V1068-Y1099 HydrophobicContact CB-CE1 4.35Å; V1068-Y1099 HydrophobicContact CG1-CE1 4.17Å; V1068-Y1099 HydrophobicContact CG2-CE1 4.48Å; E1095-Y1099 PolarHBondContact O-N 3.14Å; L1096-Y1099 HydrophobicContact CD1-CD1 4.47Å; L1096-Y1099 WeakPolarHBondContact O-CB 3.48Å; L1096-Y1099 PolarHBondContact O-N 2.83Å; L1096-Y1099 VanDerWaalsContact O-N 3.17Å; A1097-Y1099 VanDerWaalsContact C-N 3.3Å; A1097-Y1099 PolarHBondContact O-N 2.92Å; Y1099-N1102 PolarHBondContact O-N 3.2Å; Y1099-R1103 HydrophobicContact CD1-CG 4.44Å; Y1099-R1103 HydrophobicContact CE1-CG 3.98Å; Y1099-R1103 HydrophobicContact CE2-CG 4.11Å; Y1099-R1103 WeakPolarHBondContact O-CG 3.46Å; Y1099-R1103 PolarHBondContact O-N 3.13Å; Y1099-R1103 PolarHBondContact OH-NE 2.79Å
1100	L	85.4	Confident	78.3	Confident	0 Å²	0	76 Å²	76	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-66.2	-43	-179.4	-65.3	170.2	0	0	0	111.1	A1056 V1068 L1074 P1084 R1085 A1088 L1096 A1097 N1102 R1103 Q1104	A1056-L1100 HydrophobicContact CB-CD1 4.38Å; V1068-L1100 HydrophobicContact CG2-CD2 3.98Å; L1074-L1100 HydrophobicContact CD2-CB 4.42Å; L1074-L1100 HydrophobicContact CD2-CD2 3.55Å; P1084-L1100 HydrophobicContact CB-CD1 4.45Å; R1085-L1100 HydrophobicContact CB-CB 4.01Å; R1085-L1100 HydrophobicContact CG-CB 4.44Å; A1088-L1100 HydrophobicContact CB-CD1 4.06Å; L1096-L1100 HydrophobicContact CD1-CD1 4.24Å; L1096-L1100 HydrophobicContact CD1-CG 4.23Å; L1096-L1100 HydrophobicContact CG-CD1 4.07Å; L1096-L1100 HydrophobicContact CG-CG 4.5Å; L1096-L1100 WeakPolarHBondContact O-CG 3.48Å; L1096-L1100 PolarHBondContact O-N 3.44Å; A1097-L1100 PolarHBondContact O-N 3.06Å; L1100-N1102 PolarHBondContact O-N 2.79Å; L1100-R1103 PolarHBondContact O-N 3.21Å; L1100-Q1104 VanDerWaalsContact O-CB 3.23Å; L1100-Q1104 WeakPolarHBondContact O-CB 3.32Å; L1100-Q1104 PolarHBondContact O-N 3.1Å
1101	E	83.2	Confident	76.4	Confident	87 Å²	87	77 Å²	77	41%	0.407	37%	0.372	S	S	.	.	H	α-helix	trans	-54.2	-50.7	172.5	171.2	173.1	-116.7	0	0	112.6	R1085 A1097 R1103 Q1104 H1105	R1085-E1101 HydrophobicContact CG-CB 4.44Å; R1085-E1101 IonicContact CZ-OE1 3.35Å; R1085-E1101 VanDerWaalsContact NH1-CD 3.25Å; R1085-E1101 VanDerWaalsContact NH1-CG 3.32Å; R1085-E1101 IonicContact NH1-OE1 3.35Å; R1085-E1101 PolarHBondContact NH1-OE1 2.76Å; R1085-E1101 IonicContact NH2-OE1 3.69Å; R1085-E1101 PolarHBondContact NH2-OE1 3.42Å; R1085-E1101 IonicContact NH2-OE2 2.67Å; A1097-E1101 WeakPolarHBondContact O-CB 3.44Å; A1097-E1101 PolarHBondContact O-N 2.96Å; E1101-R1103 VanDerWaalsContact C-N 3.35Å; E1101-R1103 PolarHBondContact O-N 3.29Å; E1101-Q1104 WeakPolarHBondContact O-CB 3.26Å; E1101-Q1104 PolarHBondContact O-N 2.79Å; E1101-H1105 PolarHBondContact O-N 2.82Å
1102	N	83.5	Confident	74.3	Confident	92 Å²	92	80.4 Å²	80.4	49%	0.492	38%	0.38	S	S	.	.	H	α-helix	trans	-63.4	-41.8	-179.3	-169.6	-2.2	0	0	0	111.1	A1098 Y1099 L1100 H1105 Y1106	A1098-N1102 VanDerWaalsContact O-CB 3.3Å; A1098-N1102 WeakPolarHBondContact O-CB 3.38Å; A1098-N1102 PolarHBondContact O-N 2.86Å; Y1099-N1102 PolarHBondContact O-N 3.2Å; L1100-N1102 PolarHBondContact O-N 2.79Å; N1102-H1105 PolarHBondContact O-N 3Å; N1102-Y1106 VanDerWaalsContact O-CD2 3.22Å; N1102-Y1106 WeakPolarHBondContact O-CD2 3.48Å; N1102-Y1106 PolarHBondContact O-N 3.36Å; N1102-Y1106 WeakPolarHBondContact OD1-CE2 3.37Å
1103	R	84.1	Confident	72	Confident	96 Å²	96	77.6 Å²	77.6	36%	0.362	37%	0.371	S	S	.	.	H	α-helix	trans	-67.6	-37	174.8	-70.7	-66.3	-152.4	179.7	7.7	112.9	V1068 E1069 L1074 Y1099 L1100 E1101 Y1106 Q1107	V1068-R1103 HydrophobicContact CG1-CB 4.3Å; V1068-R1103 HydrophobicContact CG1-CG 4.03Å; E1069-R1103 IonicContact OE1-NH2 2.68Å; L1074-R1103 HydrophobicContact CD1-CB 3.41Å; L1074-R1103 VanDerWaalsContact CD1-CB 3.41Å; Y1099-R1103 HydrophobicContact CD1-CG 4.44Å; Y1099-R1103 HydrophobicContact CE1-CG 3.98Å; Y1099-R1103 HydrophobicContact CE2-CG 4.11Å; Y1099-R1103 WeakPolarHBondContact O-CG 3.46Å; Y1099-R1103 PolarHBondContact O-N 3.13Å; Y1099-R1103 PolarHBondContact OH-NE 2.79Å; L1100-R1103 PolarHBondContact O-N 3.21Å; E1101-R1103 VanDerWaalsContact C-N 3.35Å; E1101-R1103 PolarHBondContact O-N 3.29Å; R1103-Y1106 PolarHBondContact O-N 2.9Å; R1103-Q1107 PolarHBondContact O-N 3.46Å
1104	Q	76.5	Confident	69.7	Low	36 Å²	36	83.5 Å²	83.5	17%	0.168	40%	0.398	C	S	.	.	H	α-helix	trans	-59.5	-46	175.1	151.4	165.8	55.6	0	0	110.9	L1074 M1075 L1100 E1101 Y1106 Q1107 M1108	L1074-Q1104 HydrophobicContact CB-CB 4.32Å; L1074-Q1104 HydrophobicContact CD1-CB 4.45Å; M1075-Q1104 HydrophobicContact CE-CB 3.53Å; M1075-Q1104 HydrophobicContact CE-CG 3.4Å; M1075-Q1104 VanDerWaalsContact CE-CG 3.4Å; M1075-Q1104 HydrophobicContact SD-CG 4.06Å; M1075-Q1104 PolarHBondContact SD-NE2 2.84Å; L1100-Q1104 VanDerWaalsContact O-CB 3.23Å; L1100-Q1104 WeakPolarHBondContact O-CB 3.32Å; L1100-Q1104 PolarHBondContact O-N 3.1Å; E1101-Q1104 WeakPolarHBondContact O-CB 3.26Å; E1101-Q1104 PolarHBondContact O-N 2.79Å; Q1104-Y1106 VanDerWaalsContact C-N 3.35Å; Q1104-Y1106 PolarHBondContact O-N 3.42Å; Q1104-Q1107 PolarHBondContact O-N 2.81Å; Q1104-Q1107 VanDerWaalsContact O-N 3.16Å; Q1104-M1108 HydrophobicContact CG-SD 4.36Å; Q1104-M1108 WeakPolarHBondContact O-CG 3.42Å; Q1104-M1108 PolarHBondContact O-N 2.97Å
1105	H	70.4	Confident	67.3	Low	114 Å²	114	85 Å²	85	53%	0.528	40%	0.397	S	S	.	.	H	α-helix	trans	-60.4	-40.9	176.7	-174.2	44	0	0	0	112.6	E1101 N1102 M1108 I1109	E1101-H1105 PolarHBondContact O-N 2.82Å; N1102-H1105 PolarHBondContact O-N 3Å; H1105-M1108 PolarHBondContact O-N 3.49Å; H1105-I1109 WeakPolarHBondContact O-CG1 3.46Å; H1105-I1109 PolarHBondContact O-N 3.24Å
1106	Y	67.1	Low	65	Low	142 Å²	142	84.5 Å²	84.5	56%	0.557	40%	0.403	S	S	*	.	H	α-helix	trans	-65.8	-36.9	173.7	-79	-72.4	0	0	0	113.5	N1102 R1103 Q1104 Q1110	N1102-Y1106 VanDerWaalsContact O-CD2 3.22Å; N1102-Y1106 WeakPolarHBondContact O-CD2 3.48Å; N1102-Y1106 PolarHBondContact O-N 3.36Å; N1102-Y1106 WeakPolarHBondContact OD1-CE2 3.37Å; R1103-Y1106 PolarHBondContact O-N 2.9Å; Q1104-Y1106 VanDerWaalsContact C-N 3.35Å; Q1104-Y1106 PolarHBondContact O-N 3.42Å; Y1106-Q1110 WeakPolarHBondContact O-CG 3.4Å; Y1106-Q1110 PolarHBondContact O-N 2.88Å
1107	Q	64.4	Low	62.5	Low	53 Å²	53	88.1 Å²	88.1	25%	0.248	43%	0.433	C	S	.	.	H	α-helix	trans	-69	-34.2	175.8	-79.9	-173.5	-13.3	0	0	112.4	A1072 R1103 Q1104 R1111	A1072-Q1107 PolarHBondContact O-NE2 3.35Å; A1072-Q1107 VanDerWaalsContact O-NE2 3.15Å; R1103-Q1107 PolarHBondContact O-N 3.46Å; Q1104-Q1107 PolarHBondContact O-N 2.81Å; Q1104-Q1107 VanDerWaalsContact O-N 3.16Å; Q1107-R1111 PolarHBondContact O-N 3.35Å
1108	M	59.2	Low	59.9	Low	82 Å²	82	97.6 Å²	97.6	40%	0.404	49%	0.49	S	S	.	.	H	α-helix	trans	-65.9	-47.8	176.2	-72.1	178.9	66.9	0	0	112.1	M1075 Q1104 H1105 Q1110 R1111 E1112	M1075-M1108 HydrophobicContact SD-CG 4.13Å; M1075-M1108 HydrophobicContact SD-SD 4.49Å; Q1104-M1108 HydrophobicContact CG-SD 4.36Å; Q1104-M1108 WeakPolarHBondContact O-CG 3.42Å; Q1104-M1108 PolarHBondContact O-N 2.97Å; H1105-M1108 PolarHBondContact O-N 3.49Å; M1108-Q1110 VanDerWaalsContact C-N 3.27Å; M1108-Q1110 PolarHBondContact O-N 2.94Å; M1108-R1111 WeakPolarHBondContact O-CA 3.25Å; M1108-R1111 WeakPolarHBondContact O-CB 3.43Å; M1108-R1111 PolarHBondContact O-N 3.13Å; M1108-E1112 PolarHBondContact O-N 3.35Å
1109	I	55.3	Low	58.7	Low	61 Å²	61	100.1 Å²	100.1	31%	0.313	50%	0.495	S	S	.	.	H	α-helix	trans	-54.9	-45.7	178	-66.7	163.1	0	0	0	110.5	H1105 R1111 E1112 D1113	H1105-I1109 WeakPolarHBondContact O-CG1 3.46Å; H1105-I1109 PolarHBondContact O-N 3.24Å; I1109-R1111 PolarHBondContact O-N 2.9Å; I1109-R1111 VanDerWaalsContact O-N 3.08Å; I1109-E1112 PolarHBondContact O-N 3.43Å; I1109-D1113 WeakPolarHBondContact O-CB 3.42Å; I1109-D1113 VanDerWaalsContact O-CG 3.23Å; I1109-D1113 PolarHBondContact O-N 2.84Å
1110	Q	50.7	Low	57.1	Low	128 Å²	128	102.7 Å²	102.7	60%	0.598	51%	0.511	S	S	*	.	H	α-helix	trans	-66.4	-8.5	178.3	-70.9	-174.7	-31.4	0	0	115	Y1106 M1108 Q1114	Y1106-Q1110 WeakPolarHBondContact O-CG 3.4Å; Y1106-Q1110 PolarHBondContact O-N 2.88Å; M1108-Q1110 VanDerWaalsContact C-N 3.27Å; M1108-Q1110 PolarHBondContact O-N 2.94Å; Q1110-Q1114 WeakPolarHBondContact O-CG 3.41Å
1111	R	48.4	Very low	55.5	Low	155 Å²	155	108.4 Å²	108.4	59%	0.585	54%	0.539	S	S	*	.	H	α-helix	trans	-103.7	-38.2	176.6	-129.7	-175	-168.6	-160.6	1.2	112.2	Q1107 M1108 I1109 D1113 Q1114 E1115	Q1107-R1111 PolarHBondContact O-N 3.35Å; M1108-R1111 WeakPolarHBondContact O-CA 3.25Å; M1108-R1111 WeakPolarHBondContact O-CB 3.43Å; M1108-R1111 PolarHBondContact O-N 3.13Å; I1109-R1111 PolarHBondContact O-N 2.9Å; I1109-R1111 VanDerWaalsContact O-N 3.08Å; R1111-D1113 PolarHBondContact O-N 3.48Å; R1111-Q1114 WeakPolarHBondContact O-CA 3.14Å; R1111-Q1114 WeakPolarHBondContact O-CB 3.27Å; R1111-Q1114 PolarHBondContact O-N 3.3Å; R1111-E1115 PolarHBondContact O-N 2.67Å
1112	E	42.8	Very low	53.9	Low	113 Å²	113	109.7 Å²	109.7	53%	0.528	55%	0.547	S	S	.	.	H	α-helix	trans	-59.7	-38	169	-67.8	173.3	165.7	0	0	110.4	M1108 I1109 Q1114 T1116	M1108-E1112 PolarHBondContact O-N 3.35Å; I1109-E1112 PolarHBondContact O-N 3.43Å; E1112-Q1114 PolarHBondContact O-N 2.68Å; E1112-Q1114 VanDerWaalsContact O-N 3.12Å; E1112-T1116 WeakPolarHBondContact O-CB 2.99Å; E1112-T1116 WeakPolarHBondContact O-CG2 3.21Å; E1112-T1116 PolarHBondContact O-N 2.83Å; E1112-T1116 PolarHBondContact O-OG1 2.7Å
1113	D	40.1	Very low	52.1	Low	113 Å²	113	110.8 Å²	110.8	60%	0.604	55%	0.55	S	S	*	*	H	α-helix	trans	-61.2	-10.6	169.7	-72.7	-22.9	0	0	0	114.3	I1109 R1111	I1109-D1113 WeakPolarHBondContact O-CB 3.42Å; I1109-D1113 VanDerWaalsContact O-CG 3.23Å; I1109-D1113 PolarHBondContact O-N 2.84Å; R1111-D1113 PolarHBondContact O-N 3.48Å
1114	Q	37.7	Very low	49.9	Very low	140 Å²	140	111.8 Å²	111.8	65%	0.654	56%	0.563	S	S	*	*	H	α-helix	trans	-111.8	-38.2	179.7	-66.6	-179.7	3.7	0	0	113	Q1110 R1111 E1112 T1116 A1117	Q1110-Q1114 WeakPolarHBondContact O-CG 3.41Å; R1111-Q1114 WeakPolarHBondContact O-CA 3.14Å; R1111-Q1114 WeakPolarHBondContact O-CB 3.27Å; R1111-Q1114 PolarHBondContact O-N 3.3Å; E1112-Q1114 PolarHBondContact O-N 2.68Å; E1112-Q1114 VanDerWaalsContact O-N 3.12Å; Q1114-T1116 VanDerWaalsContact C-N 3.31Å; Q1114-A1117 PolarHBondContact O-N 2.81Å
1115	E	35.2	Very low	48	Very low	142 Å²	142	117.2 Å²	117.2	66%	0.664	59%	0.591	S	S	*	*	H	α-helix	trans	-78.3	-15.1	-180	-69.8	176	-175.2	0	0	112.9	R1111	R1111-E1115 PolarHBondContact O-N 2.67Å
1116	T	35.6	Very low	46.3	Very low	117 Å²	117	117.5 Å²	117.5	72%	0.718	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	7.9	173.2	55.7	0	0	0	0	114.3	E1112 Q1114	E1112-T1116 WeakPolarHBondContact O-CB 2.99Å; E1112-T1116 WeakPolarHBondContact O-CG2 3.21Å; E1112-T1116 PolarHBondContact O-N 2.83Å; E1112-T1116 PolarHBondContact O-OG1 2.7Å; Q1114-T1116 VanDerWaalsContact C-N 3.31Å
1117	A	33.2	Very low	44.6	Very low	79 Å²	79	115.4 Å²	115.4	65%	0.653	60%	0.599	S	S	*	*			trans	-105.7	51.3	-176.5	0	0	0	0	0	113.2	Q1114	Q1114-A1117 PolarHBondContact O-N 2.81Å
1118	V	32.5	Very low	42.8	Very low	202 Å²	202	121.1 Å²	121.1	100%	1.224	63%	0.631	S	S	*	*			trans	-122.1	0	176.8	-175.8	0	0	0	0	110.3

Retrieved 1,118 of 1,118 residues in 700.7 ms (Link to these results)

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