A0A096NQ82_PAPAN Loading...

Zinc finger protein 316

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A096NQ82, Species PAPAN (Papio anubis, Olive baboon), Gene ZNF316, Length 1,011 aa.

						>A0A096NQ82_PAPAN|A0A096NQ82|ZNF316
MAALHTTPDSPAAQLERAEDGAECDPDQEEEEEEEEKKGEEAQEVAEEEEEIVVEEEEEGVAEVVEDTQVEEVAEVEVEADVEEEDVKEVLAEEQHLALGTQERLSHGGDAKSPVLQEKGLQPSRAPATPRDEDLEEDEEEEEEEEDEDEDDLLMAGSQGLVTFEDVAVYFSLEEWERLEADQRGLYQEVMQENYGILVSLGYPIPKPDLIFRLEQGEEPWVPDSPRREEGDIVTGVYTGAWFWTDDIEDHDEEDDEDFLAEVAEEENEPPGLWSAAYGVGDVPGTWGPDDSDSAQTPEGWGPDQGGLGVLADGSEGKPFLHGREPAANLLSPWAFPAAVAPLAGRPETTCDVCGKVFPHRSRLAKHQRYHAAVKPFGCEECGKGFVYRSHLAIHQRTHTGEKPFPCPDCGKRFVYKSHLVTHRRIHTGERPYRCAFCGAGFGRRSYLVTHQRTHTGERPYPCPHCGRSFSQSSALARHQAVHTADRPHCCPDCGQAFRLRADFQRHRRGGGCAEPGGDGPRREPGETAAAAGPEDTDPGPEGPGGPEAGEADGEAEAAAEEREEAAVAALTPSGKADPAPDRRFLELGNGLGEGEGPSSHPLGFHFPVHPKSWLHPDSFPLLGLPDFRERLPVDGRPLPAPLGGPLSLVEGTGLACDPFGGGGAGGGGGGLRAFGPAVGSLLAEPAPAALAEEESPWICSDCGKTFGRRAALAKHQRYHAGERPHRCADCGKSFVYGSHLARHRRTHTGERPFPCPECGARFARGSHLAAHVRGHTGEKPFVCGVCGAGFSRRAHLTAHGRAHTGERPYACGECGRRFGQSAALTRHQWAHAEEKPHRCPDCGKGFGHSSDFKRHRRTHTGEKPFRCADCGRGFAQRSNLAKHRRGHTGERPFPCPECGKRFSQRSVLVTHQRTHTGERPYACANCGRRFSQSSHLLTHMKTHRGAAAAPSSGSAPAPAPKPEAAAKGPSSVGPGERGSALLEFAGGTSFGSEHQAAFAGPSGAYREGVL
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.5	Very low	37.7	Very low	241 Å²	241	129.3 Å²	129.3	100%	1.187	77%	0.774	S	S	*	*				0	101.9	0	-50.3	-179	-156.9	0	0	105.3
2	A	32.7	Very low	36.9	Very low	96 Å²	96	126 Å²	126	79%	0.793	77%	0.771	S	S	*	*				69.7	88.3	75.6	0	0	0	0	0	109.6
3	A	42.3	Very low	36.2	Very low	86 Å²	86	123.5 Å²	123.5	71%	0.711	77%	0.772	S	S	*	*				93.1	159	77.6	0	0	0	0	0	110
4	L	44.9	Very low	35.7	Very low	146 Å²	146	126.4 Å²	126.4	76%	0.764	77%	0.771	S	S	*	*			cis	-154	162.8	49.2	-56.1	169.6	0	0	0	108.6
5	H	38.3	Very low	35.5	Very low	149 Å²	149	127.5 Å²	127.5	69%	0.69	77%	0.769	S	S	*	*			cis	-163.5	153	-8.9	-111.7	-34	0	0	0	110.2
6	T	35.4	Very low	35.2	Very low	106 Å²	106	127.4 Å²	127.4	65%	0.65	76%	0.758	S	S	*	*			trans	42.7	124.2	148.5	60	0	0	0	0	121.2
7	T	39.9	Very low	34.9	Very low	124 Å²	124	131.8 Å²	131.8	76%	0.761	76%	0.758	S	S	*	*				59.1	151.6	59	73.1	0	0	0	0	114.4
8	P	45.7	Very low	34.7	Very low	112 Å²	112	128.2 Å²	128.2	73%	0.727	75%	0.747	S	S	*	*			cis	-121.8	-158.7	11.8	43.3	-25.6	0	0	0	112
9	D	26.4	Very low	34.5	Very low	150 Å²	150	129.6 Å²	129.6	80%	0.802	75%	0.746	S	S	*	*			cis	-155.4	-170.2	6.3	-141.5	-35.6	0	0	0	112.8
10	S	31.4	Very low	34.2	Very low	96 Å²	96	131.6 Å²	131.6	67%	0.671	75%	0.754	S	S	*	*			trans	-128.6	-172.2	164.4	-123.8	0	0	0	0	108.9
11	P	42.8	Very low	33.9	Very low	116 Å²	116	128.4 Å²	128.4	75%	0.753	75%	0.75	S	S	*	*			cis	-141.2	158.4	16	42.6	-23.5	0	0	0	119
12	A	28	Very low	33.7	Very low	90 Å²	90	121.3 Å²	121.3	74%	0.744	73%	0.729	S	S	*	*			trans	49.4	143.5	131.9	0	0	0	0	0	125.4
13	A	28.7	Very low	33.4	Very low	94 Å²	94	125.6 Å²	125.6	78%	0.777	73%	0.733	S	S	*	*			trans	75.3	148.4	157.4	0	0	0	0	0	116.3
14	Q	28.5	Very low	32.6	Very low	163 Å²	163	127.1 Å²	127.1	76%	0.762	74%	0.737	S	S	*	*			cis	-153.3	153.7	38.7	-75.4	178.3	26.3	0	0	113.8
15	L	32.4	Very low	32.1	Very low	143 Å²	143	127.3 Å²	127.3	75%	0.749	74%	0.739	S	S	*	*			trans	53.3	149.8	139.9	-59.1	170.4	0	0	0	119.8
16	E	30.6	Very low	32.3	Very low	127 Å²	127	125.7 Å²	125.7	59%	0.593	74%	0.742	S	S	*	*			cis	-160.9	156.6	-5.4	-106.3	-126.1	153.8	0	0	108.2
17	R	30	Very low	32.2	Very low	201 Å²	201	127.4 Å²	127.4	76%	0.758	75%	0.747	S	S	*	*			trans	61	163.2	153.7	-75.4	-179.9	143.8	88	1	119.8
18	A	31.2	Very low	31.8	Very low	67 Å²	67	126.8 Å²	126.8	55%	0.554	74%	0.735	S	S	*	*			cis	-173.7	-174.4	-31.8	0	0	0	0	0	108.4
19	E	31.6	Very low	31	Very low	156 Å²	156	131 Å²	131	73%	0.729	75%	0.745	S	S	*	*			trans	28.6	125.7	149	65.2	-148.6	99	0	0	119.3
20	D	29.1	Very low	31.5	Very low	169 Å²	169	127.9 Å²	127.9	90%	0.904	73%	0.726	S	S	*	*			cis	-168.6	174.1	12.9	-139.1	-40.9	0	0	0	110.3
21	G	28	Very low	31.3	Very low	64 Å²	64	128.8 Å²	128.8	66%	0.66	72%	0.719	S	S	*	*			trans	114.3	122.9	152.5	0	0	0	0	0	122
22	A	29.4	Very low	30.7	Very low	92 Å²	92	132.3 Å²	132.3	76%	0.76	73%	0.726	S	S	*	*			trans	39.8	112.8	135.6	0	0	0	0	0	123.7
23	E	26.7	Very low	30.9	Very low	187 Å²	187	137.8 Å²	137.8	87%	0.874	74%	0.736	S	S	*	*				39.4	142.6	118	-64.4	177.3	106.2	0	0	123.9
24	C	25.1	Very low	30.9	Very low	117 Å²	117	141.6 Å²	141.6	79%	0.791	74%	0.738	S	S	*	*			trans	90.4	114.1	160.4	-63.2	0	0	0	0	120.3
25	D	35.8	Very low	30.9	Very low	150 Å²	150	141.9 Å²	141.9	80%	0.802	74%	0.739	S	S	*	*			trans	-16.6	149.2	133.9	-66.2	-94.6	0	0	0	116.1
26	P	40.9	Very low	30.8	Very low	116 Å²	116	142.7 Å²	142.7	75%	0.753	74%	0.739	S	S	*	*				-145.5	-176.5	61.2	35.9	-13.8	0	0	0	117.6
27	D	34.4	Very low	30.9	Very low	142 Å²	142	145 Å²	145	76%	0.759	75%	0.747	S	S	*	*			trans	-46.5	158.3	148	-42.7	-92.7	0	0	0	109.9
28	Q	31.3	Very low	30.6	Very low	111 Å²	111	144.8 Å²	144.8	52%	0.519	75%	0.752	S	S	.	*			cis	-169.8	144.2	40.5	-161.2	163.1	-3.3	0	0	107.5	E30	Q28-E30 PolarHBondContact NE2-OE2 3.16Å
29	E	29.4	Very low	30.3	Very low	201 Å²	201	144.4 Å²	144.4	94%	0.939	76%	0.755	S	S	*	*			trans	-139.1	106.6	164.5	-81.9	-174	170.6	0	0	108
30	E	35.8	Very low	30.1	Very low	83 Å²	83	146.3 Å²	146.3	39%	0.388	76%	0.764	S	S	.	*			trans	-119.7	157.9	163.5	-54.3	-169.9	59.6	0	0	107	Q28 E557 A558	Q28-E30 PolarHBondContact NE2-OE2 3.16Å; E30-E557 HydrophobicContact CB-CB 4.26Å; E30-E557 HydrophobicContact CG-CB 4.35Å; E30-E557 WeakPolarHBondContact OE2-CB 3.49Å; E30-E557 PolarHBondContact OE2-N 3.03Å; E30-A558 HydrophobicContact CB-CB 3.98Å
31	E	27.6	Very low	30	Very low	115 Å²	115	147.6 Å²	147.6	54%	0.537	76%	0.764	S	S	.	*			trans	69.5	138.9	-176	-47.8	166.4	-162.1	0	0	111.7	A558 A559	E31-A558 HydrophobicContact CG-CB 3.8Å; E31-A558 WeakPolarHBondContact OE1-CA 3.18Å; E31-A558 WeakPolarHBondContact OE1-CB 3.39Å; E31-A559 HydrophobicContact CG-CB 4Å; E31-A559 WeakPolarHBondContact OE1-CB 3.31Å; E31-A559 PolarHBondContact OE1-N 3.37Å; E31-A559 VanDerWaalsContact OE2-CB 3.24Å; E31-A559 WeakPolarHBondContact OE2-CB 3.29Å
32	E	29.8	Very low	30.3	Very low	190 Å²	190	148.6 Å²	148.6	89%	0.888	77%	0.766	S	S	*	*			cis	-140.4	134.3	18.1	-53.8	165	142.9	0	0	109.4
33	E	33	Very low	30.1	Very low	205 Å²	205	152.4 Å²	152.4	96%	0.958	77%	0.768	S	S	*	*			trans	-159.8	47.5	153.5	-132.6	178.5	-131.1	0	0	111.9
34	E	27.8	Very low	30.3	Very low	174 Å²	174	152.1 Å²	152.1	81%	0.813	77%	0.767	S	S	*	*			trans	-77.4	160.6	156.2	-79.1	-142	137.2	0	0	110.9	E36	E34-E36 PolarHBondContact O-N 3.18Å
35	E	28.5	Very low	30.4	Very low	169 Å²	169	152.1 Å²	152.1	79%	0.79	76%	0.763	S	S	*	*			trans	38	73.7	163.8	-60.6	-135.4	127.1	0	0	118.9
36	E	31.3	Very low	30	Very low	160 Å²	160	148.2 Å²	148.2	75%	0.748	75%	0.751	S	S	*	*			trans	-120.3	142.6	138.6	-137.2	-158.9	-149	0	0	112.4	E34	E34-E36 PolarHBondContact O-N 3.18Å
37	K	31.7	Very low	29.3	Very low	176 Å²	176	151.1 Å²	151.1	77%	0.765	76%	0.755	S	S	*	*			trans	67.8	55.1	173.3	-65.7	177.7	-178.8	112.5	0	117.1
38	K	24.3	Very low	29.3	Very low	196 Å²	196	153.8 Å²	153.8	85%	0.852	76%	0.763	S	S	*	*			trans	-106.3	84.7	141	-174.5	-172.3	178.4	-173.7	0	110.2
39	G	25.3	Very low	29.2	Very low	60 Å²	60	157.1 Å²	157.1	62%	0.619	78%	0.778	S	S	*	*			trans	163.9	148.3	174.3	0	0	0	0	0	113.8
40	E	28	Very low	29.2	Very low	196 Å²	196	156.4 Å²	156.4	92%	0.916	78%	0.775	S	S	*	*			trans	45	102.7	161.3	-54	-176.4	118.8	0	0	115.9
41	E	26.9	Very low	28.8	Very low	196 Å²	196	160.2 Å²	160.2	92%	0.916	79%	0.793	S	S	*	*			cis	-101.8	130.2	43.9	-67.1	172.4	137.7	0	0	113.6
42	A	32.4	Very low	28.6	Very low	85 Å²	85	160.8 Å²	160.8	70%	0.702	80%	0.798	S	S	*	*				80.8	72.9	54.8	0	0	0	0	0	113.4	E44	A42-E44 PolarHBondContact O-N 3.32Å
43	Q	25.9	Very low	28.5	Very low	171 Å²	171	157.8 Å²	157.8	80%	0.799	79%	0.793	S	S	*	*			trans	-22.2	117.4	142.2	171.4	-167.1	-14.9	0	0	115.1	V45	Q43-V45 HydrophobicContact CG-CG2 4.04Å
44	E	31.1	Very low	28.4	Very low	182 Å²	182	153.2 Å²	153.2	85%	0.85	78%	0.778	S	S	*	*			trans	-157	119.7	138.5	-107.5	160	-151.7	0	0	106.2	A42	A42-E44 PolarHBondContact O-N 3.32Å
45	V	27.8	Very low	28.6	Very low	116 Å²	116	151.3 Å²	151.3	70%	0.703	77%	0.769	S	S	*	*				69.1	113.8	53.8	-179.5	0	0	0	0	109.9	Q43	Q43-V45 HydrophobicContact CG-CG2 4.04Å
46	A	26.4	Very low	29	Very low	68 Å²	68	150.1 Å²	150.1	56%	0.562	76%	0.764	S	S	*	*			cis	-154.7	-145.8	-3.8	0	0	0	0	0	110.2
47	E	26.6	Very low	29.1	Very low	177 Å²	177	150 Å²	150	83%	0.827	76%	0.763	S	S	*	*			trans	14.6	130.8	145.1	-66.1	132.1	-128.6	0	0	117.3
48	E	33.7	Very low	29.2	Very low	198 Å²	198	149.1 Å²	149.1	93%	0.925	76%	0.762	S	S	*	*				-142.3	170.5	66.6	-81.3	169.2	150	0	0	115
49	E	30.2	Very low	29.4	Very low	181 Å²	181	147.6 Å²	147.6	85%	0.846	76%	0.758	S	S	*	*			trans	-102.5	-178.9	-178.4	-58.5	-179.7	112.5	0	0	112
50	E	29.4	Very low	29.6	Very low	187 Å²	187	148.4 Å²	148.4	87%	0.874	77%	0.766	S	S	*	*			trans	70.9	162.3	172.2	-42.2	-164.8	128.1	0	0	114.4
51	E	27.3	Very low	29.5	Very low	163 Å²	163	145.6 Å²	145.6	76%	0.762	76%	0.762	S	S	*	*			cis	-139.6	134.7	11.6	-136.3	-164.3	143.2	0	0	113
52	I	23.7	Very low	29.6	Very low	126 Å²	126	140.5 Å²	140.5	65%	0.646	75%	0.753	S	S	*	*			trans	26.3	111.2	133.8	-60.2	176	0	0	0	121.1
53	V	27.4	Very low	29.4	Very low	128 Å²	128	145.7 Å²	145.7	78%	0.776	76%	0.763	S	S	*	*			trans	61.5	-173.5	132	-171.2	0	0	0	0	117.8
54	V	30	Very low	29.6	Very low	108 Å²	108	143 Å²	143	66%	0.655	76%	0.759	S	S	*	*			trans	85.9	119.2	164.1	178.6	0	0	0	0	116.5
55	E	33.5	Very low	29.5	Very low	134 Å²	134	140 Å²	140	63%	0.626	75%	0.752	S	S	*	*			cis	-165.3	160.5	-13.7	-123.9	152.8	-158.3	0	0	112.5
56	E	35.3	Very low	29.8	Very low	145 Å²	145	142.2 Å²	142.2	68%	0.678	76%	0.755	S	S	*	*			trans	86.6	142.6	134.1	-86.8	158.7	-175.2	0	0	128.9
57	E	34.3	Very low	30.1	Very low	157 Å²	157	144.9 Å²	144.9	73%	0.734	76%	0.759	S	S	*	*			trans	77.3	130.5	142	-74.4	173.8	-176.3	0	0	123.3
58	E	33.4	Very low	30.1	Very low	157 Å²	157	142.8 Å²	142.8	73%	0.734	76%	0.759	S	S	*	*			cis	-168.3	176.2	-22.8	-132	-168	170	0	0	113.2
59	E	29.8	Very low	30.2	Very low	165 Å²	165	140.7 Å²	140.7	77%	0.771	75%	0.749	S	S	*	*			trans	54.9	140.6	155.7	-67.3	-153.3	128.2	0	0	123.1
60	G	27.8	Very low	30.1	Very low	77 Å²	77	137.6 Å²	137.6	79%	0.794	74%	0.742	S	S	*	*			trans	171.8	85.3	173.9	0	0	0	0	0	111.7
61	V	27	Very low	30.2	Very low	137 Å²	137	136.7 Å²	136.7	83%	0.83	74%	0.738	S	S	*	*			trans	-86	155.9	-166.8	-172.6	0	0	0	0	113
62	A	28.8	Very low	30.5	Very low	88 Å²	88	136.7 Å²	136.7	73%	0.727	74%	0.738	S	S	*	*			trans	-72.2	167.8	-176.4	0	0	0	0	0	115.6
63	E	28.2	Very low	30.7	Very low	194 Å²	194	136.9 Å²	136.9	91%	0.907	75%	0.745	S	S	*	*			trans	-138	174.8	146.7	-138.1	179.3	-167.5	0	0	111.8
64	V	29.8	Very low	31	Very low	116 Å²	116	135 Å²	135	70%	0.703	74%	0.743	S	S	*	*			trans	-137.2	-175.8	-154.3	-172.6	0	0	0	0	109.6
65	V	29.6	Very low	30.9	Very low	119 Å²	119	139.2 Å²	139.2	72%	0.721	76%	0.755	S	S	*	*			trans	65.7	145.4	164.1	-71	0	0	0	0	118.8
66	E	34.4	Very low	30.7	Very low	162 Å²	162	138.4 Å²	138.4	76%	0.757	76%	0.76	S	S	*	*			cis	-168.9	178	-26.8	-125.8	174.2	158.1	0	0	108.5
67	D	30.9	Very low	30.3	Very low	123 Å²	123	140.6 Å²	140.6	66%	0.658	77%	0.77	S	S	*	*			trans	64.1	140.4	160.3	-83	-40.4	0	0	0	119.6
68	T	28.5	Very low	30	Very low	133 Å²	133	138.6 Å²	138.6	82%	0.816	77%	0.768	S	S	*	*			cis	-140.5	167.4	33.1	40.8	0	0	0	0	115.4
69	Q	34.9	Very low	29.6	Very low	155 Å²	155	139.6 Å²	139.6	72%	0.724	77%	0.773	S	S	*	*			trans	-76.4	-175.7	171.5	-60.1	145.4	48.1	0	0	111.1
70	V	28.1	Very low	29.9	Very low	115 Å²	115	136.3 Å²	136.3	70%	0.697	77%	0.774	S	S	*	*			cis	-164.7	133.8	37.7	-119.5	0	0	0	0	108.5
71	E	30.8	Very low	29.8	Very low	169 Å²	169	140.4 Å²	140.4	79%	0.79	78%	0.777	S	S	*	*				99.7	120.5	91.3	-105.2	-177.7	-174.1	0	0	117.8
72	E	34.1	Very low	30	Very low	163 Å²	163	139.1 Å²	139.1	76%	0.762	77%	0.769	S	S	*	*			trans	67.9	175.8	130.9	-116.8	-147.9	93.5	0	0	126
73	V	27.4	Very low	30.1	Very low	129 Å²	129	142.9 Å²	142.9	78%	0.782	77%	0.772	S	S	*	*			trans	64.1	121.3	179.6	-62.2	0	0	0	0	120.5
74	A	33.9	Very low	30.6	Very low	89 Å²	89	141 Å²	141	74%	0.736	76%	0.763	S	S	*	*			trans	-93.8	176.2	172.3	0	0	0	0	0	111.5
75	E	29.3	Very low	30.9	Very low	196 Å²	196	143.2 Å²	143.2	92%	0.916	77%	0.766	S	S	*	*				-157.6	-176.4	123.9	-116.1	169.2	-165.6	0	0	111.6
76	V	29.2	Very low	31	Very low	118 Å²	118	143.2 Å²	143.2	72%	0.715	76%	0.762	S	S	*	*			trans	-133.1	150.4	-159.2	176.9	0	0	0	0	108.8
77	E	26.8	Very low	30.8	Very low	191 Å²	191	140.6 Å²	140.6	89%	0.893	76%	0.757	S	S	*	*				-174.6	170.6	126.8	-100.4	174	-179	0	0	114.4
78	V	27.2	Very low	30.9	Very low	115 Å²	115	142.2 Å²	142.2	70%	0.697	76%	0.758	S	S	*	*			trans	-120.6	-174.6	-149.5	-147.9	0	0	0	0	110.1
79	E	25.4	Very low	31.1	Very low	178 Å²	178	142.4 Å²	142.4	83%	0.832	75%	0.75	S	S	*	*			trans	74.8	122.9	165.4	-35.4	-153.8	136.3	0	0	113.2
80	A	34.6	Very low	30.8	Very low	96 Å²	96	139.9 Å²	139.9	79%	0.793	74%	0.744	S	S	*	*			cis	66.9	115	29.9	0	0	0	0	0	113.9
81	D	26.3	Very low	30.7	Very low	163 Å²	163	142 Å²	142	87%	0.872	75%	0.751	S	S	*	*			trans	-150.9	166.2	154	-137.3	-25	0	0	0	111.7
82	V	31.4	Very low	30.7	Very low	109 Å²	109	137.4 Å²	137.4	66%	0.661	74%	0.742	S	S	*	*			trans	-114.3	-145.1	-159.4	178.7	0	0	0	0	111.2	E84	V82-E84 HydrophobicContact CG1-CG 3.93Å
83	E	31.9	Very low	30.7	Very low	167 Å²	167	137.9 Å²	137.9	78%	0.78	74%	0.744	S	S	*	*			trans	76.6	82.5	-175	-48.4	-62.4	95.6	0	0	114.3
84	E	38.3	Very low	30.9	Very low	154 Å²	154	138.9 Å²	138.9	72%	0.72	74%	0.74	S	S	*	*				67	126.4	61.6	-63.3	-133.3	140.5	0	0	115.8	V82	V82-E84 HydrophobicContact CG1-CG 3.93Å
85	E	36.5	Very low	30.8	Very low	163 Å²	163	141.3 Å²	141.3	76%	0.762	74%	0.736	S	S	*	*			trans	61	170.8	154.7	-53.9	-78	75.1	0	0	116.9
86	D	31.6	Very low	30.6	Very low	120 Å²	120	139.4 Å²	139.4	64%	0.642	73%	0.727	S	S	*	*			cis	-134.7	163.1	-4.3	-163.3	-4.5	0	0	0	110.6
87	V	30.1	Very low	30.5	Very low	106 Å²	106	140.6 Å²	140.6	64%	0.642	73%	0.729	S	S	*	*			trans	-69.5	150.7	175.9	-173.4	0	0	0	0	111.6
88	K	32	Very low	30.6	Very low	158 Å²	158	135.4 Å²	135.4	69%	0.687	72%	0.719	S	S	*	*			trans	152.4	153.3	131.9	-84.7	-173.9	-162.8	72.7	0	114.2
89	E	32.8	Very low	30.7	Very low	137 Å²	137	138.7 Å²	138.7	64%	0.64	73%	0.731	S	S	*	*			cis	-168	169.8	-28.8	-140.4	-172	125.4	0	0	110.3
90	V	28.7	Very low	30.6	Very low	101 Å²	101	133.3 Å²	133.3	61%	0.612	72%	0.724	S	S	*	*			trans	34.1	120.4	155.1	-75.6	0	0	0	0	123.6
91	L	26.8	Very low	30.2	Very low	160 Å²	160	136.3 Å²	136.3	84%	0.838	73%	0.732	S	S	*	*				100.8	132.5	116.6	-80.1	171.7	0	0	0	123.6
92	A	30.3	Very low	30.3	Very low	72 Å²	72	137.1 Å²	137.1	60%	0.595	73%	0.731	S	S	*	*				97.9	108.6	128.5	0	0	0	0	0	122.1
93	E	33.4	Very low	30	Very low	174 Å²	174	138.6 Å²	138.6	81%	0.813	73%	0.73	S	S	*	*				73	104.7	118.6	-63.5	178.3	145.3	0	0	121.9
94	E	32.1	Very low	29.9	Very low	150 Å²	150	139.4 Å²	139.4	70%	0.701	73%	0.726	S	S	*	*				78.2	116.9	114.9	-60.7	-127.5	99.2	0	0	123.1
95	Q	31.7	Very low	29.4	Very low	140 Å²	140	138.5 Å²	138.5	65%	0.654	73%	0.726	S	S	*	*				79.3	120.5	129.1	-67	-172.5	42.8	0	0	123.4
96	H	25.8	Very low	29.1	Very low	156 Å²	156	135.2 Å²	135.2	72%	0.722	72%	0.721	S	S	*	*			trans	78.9	108.3	131.3	-87.3	-122.7	0	0	0	123.7
97	L	27.5	Very low	28.9	Very low	143 Å²	143	138.7 Å²	138.7	75%	0.749	73%	0.733	S	S	*	*				49.1	91.7	123	-67.5	178.4	0	0	0	121.3
98	A	28.5	Very low	28.7	Very low	82 Å²	82	137.7 Å²	137.7	68%	0.678	74%	0.744	S	S	*	*				71.3	157.5	101	0	0	0	0	0	123.5
99	L	28.3	Very low	28.5	Very low	183 Å²	183	134 Å²	134	96%	0.958	75%	0.751	S	S	*	*			trans	86.3	126	163.8	-54.9	-176.6	0	0	0	119.7
100	G	24.5	Very low	28.5	Very low	66 Å²	66	135 Å²	135	68%	0.68	76%	0.761	S	S	*	*			trans	141.2	93.4	145	0	0	0	0	0	117.8
101	T	26.3	Very low	28.5	Very low	158 Å²	158	133.6 Å²	133.6	97%	0.969	76%	0.759	S	S	*	*				177.8	176.6	120.2	30.5	0	0	0	0	111.8
102	Q	27.3	Very low	28.5	Very low	180 Å²	180	135.7 Å²	135.7	84%	0.841	76%	0.761	S	S	*	*			trans	-148.3	179.1	-146.3	-171	177.8	-9.2	0	0	112.2
103	E	26.8	Very low	28.5	Very low	140 Å²	140	137.3 Å²	137.3	65%	0.654	77%	0.769	S	S	*	*			trans	89.5	146.6	166.6	-57.8	-154.5	121.3	0	0	116.1
104	R	29.6	Very low	29.2	Very low	185 Å²	185	134.7 Å²	134.7	70%	0.698	77%	0.767	S	S	*	*			cis	-164.2	150.3	0.8	-120.9	172.5	-166	-140.3	8.2	113.7
105	L	26.9	Very low	28.9	Very low	134 Å²	134	133.9 Å²	133.9	70%	0.702	77%	0.771	S	S	*	*			trans	50.1	117.8	142.5	-65.8	162.9	0	0	0	124.9
106	S	29.4	Very low	28.8	Very low	95 Å²	95	134.5 Å²	134.5	66%	0.664	78%	0.779	S	S	*	*				81.6	134	121	-58.7	0	0	0	0	126.8
107	H	28.7	Very low	28.9	Very low	193 Å²	193	135.4 Å²	135.4	89%	0.894	78%	0.783	S	S	*	*			trans	88.3	135.5	141.2	-78.3	-0.1	0	0	0	124.6
108	G	25	Very low	28.9	Very low	84 Å²	84	134.8 Å²	134.8	87%	0.866	78%	0.777	S	S	*	*			trans	82.4	153.4	162.4	0	0	0	0	0	117
109	G	28.9	Very low	29	Very low	81 Å²	81	139.5 Å²	139.5	84%	0.835	78%	0.782	S	S	*	*			cis	135.4	142.8	-4.9	0	0	0	0	0	112.9
110	D	32.4	Very low	28.9	Very low	159 Å²	159	134.6 Å²	134.6	85%	0.85	78%	0.776	S	S	*	*			cis	-168	165.6	-7.5	-174.8	31.6	0	0	0	112.8
111	A	28.6	Very low	29.1	Very low	70 Å²	70	140 Å²	140	58%	0.579	79%	0.788	S	S	*	*			trans	65.5	117.3	155.3	0	0	0	0	0	124.5
112	K	27.5	Very low	29.2	Very low	204 Å²	204	141.1 Å²	141.1	89%	0.887	78%	0.782	S	S	*	*				168.8	154.2	109	-95.2	170.8	-179	169.1	0	117.2
113	S	30	Very low	29.5	Very low	107 Å²	107	137.7 Å²	137.7	75%	0.748	78%	0.775	S	S	*	*			trans	-137.6	175	165.6	-44.6	0	0	0	0	108.7
114	P	48.2	Very low	29.3	Very low	119 Å²	119	136 Å²	136	77%	0.773	78%	0.78	S	S	*	*				-115.5	-142.6	65.9	0.4	25	0	0	0	113.6
115	V	24.3	Very low	29	Very low	132 Å²	132	138.7 Å²	138.7	80%	0.8	79%	0.789	S	S	*	*			cis	-152.9	178.8	20.4	-159.1	0	0	0	0	112.1
116	L	31	Very low	29.1	Very low	154 Å²	154	136.3 Å²	136.3	81%	0.806	79%	0.789	S	S	*	*			trans	-93.6	177.1	179.2	-54.9	175.2	0	0	0	111.8
117	Q	27.9	Very low	29.7	Very low	175 Å²	175	137.6 Å²	137.6	82%	0.818	80%	0.795	S	S	*	*			cis	-156.7	-165.5	27.4	-155.1	161.7	0.8	0	0	113.7
118	E	26.9	Very low	29.4	Very low	130 Å²	130	132.9 Å²	132.9	61%	0.607	79%	0.79	S	S	*	*			trans	-102.5	172.5	-154.4	-40.5	170.7	75.9	0	0	118.8
119	K	31.1	Very low	29.7	Very low	180 Å²	180	135.2 Å²	135.2	78%	0.783	79%	0.788	S	S	*	*			trans	79.9	132.6	143.1	-79.9	156.8	180	143.5	0	121.2
120	G	25.7	Very low	30.5	Very low	81 Å²	81	136.4 Å²	136.4	84%	0.835	78%	0.781	S	S	*	*			trans	-179.5	135	165.2	0	0	0	0	0	111.9
121	L	28.3	Very low	30.7	Very low	179 Å²	179	136.6 Å²	136.6	94%	0.937	77%	0.769	S	S	*	*			trans	-99.3	166.2	-171.6	-67.5	150.2	0	0	0	113.1
122	Q	28.4	Very low	30.9	Very low	181 Å²	181	139.1 Å²	139.1	85%	0.846	77%	0.773	S	S	*	*			trans	-65.6	170.9	152.2	-66.5	-166.7	-0.7	0	0	110.2
123	P	33.4	Very low	31.6	Very low	108 Å²	108	134.6 Å²	134.6	70%	0.701	76%	0.755	S	S	*	*			cis	-146.1	-171.4	17.4	43.2	-22.7	0	0	0	117.5
124	S	23.2	Very low	31.8	Very low	106 Å²	106	135.9 Å²	135.9	74%	0.741	75%	0.753	S	S	*	*			trans	87	150	138.5	77.8	0	0	0	0	122.9
125	R	24.1	Very low	31.6	Very low	240 Å²	240	136.3 Å²	136.3	91%	0.906	75%	0.749	S	S	*	*			trans	77.3	116.2	153.9	-110.2	-169.9	167.8	143.2	-2.1	121.3
126	A	28	Very low	32.6	Very low	84 Å²	84	137.7 Å²	137.7	69%	0.694	75%	0.747	S	S	*	*			trans	-72.6	-172	142.8	0	0	0	0	0	109.9
127	P	42.7	Very low	33.1	Very low	122 Å²	122	138.7 Å²	138.7	79%	0.792	75%	0.747	S	S	*	*			cis	-136.3	-175.8	3.3	44.3	-27.3	0	0	0	114.9
128	A	22.7	Very low	33.6	Very low	95 Å²	95	137.7 Å²	137.7	79%	0.785	75%	0.747	S	S	*	*				178.4	134.6	128.8	0	0	0	0	0	111.6
129	T	31.5	Very low	34.2	Very low	133 Å²	133	140.6 Å²	140.6	82%	0.816	76%	0.761	S	S	*	*			trans	-92.1	-177.8	157.7	56.6	0	0	0	0	108.8
130	P	44.5	Very low	34.7	Very low	106 Å²	106	140.4 Å²	140.4	69%	0.688	76%	0.763	S	S	*	*				-155.1	159.3	81	42.6	-23.6	0	0	0	117.9
131	R	37.3	Very low	35.4	Very low	162 Å²	162	145.6 Å²	145.6	61%	0.611	77%	0.765	S	S	*	*			trans	65.9	164.3	131.8	-73.7	-177.6	69.6	84.3	9.1	121.4	E133	R131-E133 IonicContact CZ-OE1 3.15Å; R131-E133 IonicContact CZ-OE2 3.04Å; R131-E133 IonicContact NE-OE1 3.74Å; R131-E133 IonicContact NH1-OE1 2.87Å; R131-E133 PolarHBondContact NH1-OE1 2.93Å; R131-E133 IonicContact NH1-OE2 2.71Å; R131-E133 PolarHBondContact NH1-OE2 2.97Å; R131-E133 IonicContact NH2-OE1 3.48Å; R131-E133 PolarHBondContact NH2-OE1 2.88Å; R131-E133 IonicContact NH2-OE2 2.74Å; R131-E133 PolarHBondContact NH2-OE2 2.93Å
132	D	32	Very low	35.9	Very low	123 Å²	123	145.7 Å²	145.7	66%	0.658	76%	0.761	S	S	*	*			cis	-104.5	-152.2	1.8	-67.5	-87	0	0	0	112.9
133	E	42.8	Very low	36.5	Very low	110 Å²	110	145.1 Å²	145.1	51%	0.514	76%	0.758	S	S	.	*			trans	-103.2	-135.1	-167.6	-66.3	80.2	-116	0	0	114.3	R131	R131-E133 IonicContact CZ-OE1 3.15Å; R131-E133 IonicContact CZ-OE2 3.04Å; R131-E133 IonicContact NE-OE1 3.74Å; R131-E133 IonicContact NH1-OE1 2.87Å; R131-E133 PolarHBondContact NH1-OE1 2.93Å; R131-E133 IonicContact NH1-OE2 2.71Å; R131-E133 PolarHBondContact NH1-OE2 2.97Å; R131-E133 IonicContact NH2-OE1 3.48Å; R131-E133 PolarHBondContact NH2-OE1 2.88Å; R131-E133 IonicContact NH2-OE2 2.74Å; R131-E133 PolarHBondContact NH2-OE2 2.93Å
134	D	34.1	Very low	36.6	Very low	133 Å²	133	147.5 Å²	147.5	71%	0.711	76%	0.76	S	S	*	*			cis	-143	134.5	23.3	-55.5	-35.3	0	0	0	110
135	L	44.4	Very low	37.3	Very low	128 Å²	128	149.5 Å²	149.5	67%	0.67	76%	0.758	S	S	*	*				80.2	141	89.1	-57.7	-159.3	0	0	0	116.2
136	E	44.6	Very low	37.7	Very low	162 Å²	162	145.3 Å²	145.3	76%	0.757	75%	0.748	S	S	*	*			cis	-163.5	-162.5	-11.6	-127.7	163.8	-169.2	0	0	112.3
137	E	42.2	Very low	37.7	Very low	174 Å²	174	147.2 Å²	147.2	81%	0.813	75%	0.747	S	S	*	*			trans	79.1	133.6	179.3	-51.1	170.1	-174.5	0	0	115
138	D	38.8	Very low	37.3	Very low	155 Å²	155	149.4 Å²	149.4	83%	0.829	75%	0.746	S	S	*	*			cis	-154.9	-169.8	-23.5	-85.1	-33.2	0	0	0	106.5
139	E	38.7	Very low	37.7	Very low	191 Å²	191	151.2 Å²	151.2	89%	0.893	74%	0.743	S	S	*	*			cis	-158.6	-175.4	20	-161.1	171.9	-146.5	0	0	109.9
140	E	40.6	Very low	38	Very low	176 Å²	176	153 Å²	153	82%	0.822	74%	0.742	S	S	*	*			trans	-84.1	153.9	-168.2	-64.1	162.3	175.2	0	0	115.6
141	E	42	Very low	37.6	Very low	189 Å²	189	155.2 Å²	155.2	88%	0.883	75%	0.748	S	S	*	*			cis	79.2	143.1	43.7	-59	-171.2	152	0	0	113.4
142	E	38.3	Very low	37.6	Very low	181 Å²	181	154.9 Å²	154.9	85%	0.846	76%	0.759	S	S	*	*			cis	-100.9	-179	31.4	-56.2	169.7	132.8	0	0	115
143	E	40	Very low	37.8	Very low	170 Å²	170	156.8 Å²	156.8	79%	0.794	77%	0.768	S	S	*	*			cis	83.4	139.8	34.1	-46.3	-174.4	152.3	0	0	116.3
144	E	37.4	Very low	37.4	Very low	157 Å²	157	159.4 Å²	159.4	73%	0.734	78%	0.784	S	S	*	*			cis	-166.8	161.8	-5.6	-115.5	-174.1	-178.6	0	0	113.3
145	E	36.3	Very low	37.4	Very low	149 Å²	149	162.3 Å²	162.3	70%	0.696	80%	0.796	S	S	*	*			trans	31.4	164.5	151.3	-46.4	-58	-165.8	0	0	124.5
146	E	33.2	Very low	36.8	Very low	151 Å²	151	161 Å²	161	71%	0.706	80%	0.804	S	S	*	*			cis	-159.5	161.1	-5.3	-126.6	168.5	178.4	0	0	110.8
147	D	28.7	Very low	36.2	Very low	125 Å²	125	156.8 Å²	156.8	67%	0.668	80%	0.804	S	S	*	*			trans	57.8	138	151.6	-66.3	-15.7	0	0	0	127.8
148	E	34.1	Very low	36	Very low	167 Å²	167	154.5 Å²	154.5	78%	0.78	81%	0.807	S	S	*	*			trans	49.3	133.2	142.4	-59.6	178.6	164.2	0	0	120.7
149	D	31	Very low	36.2	Very low	134 Å²	134	155.9 Å²	155.9	72%	0.717	81%	0.809	S	S	*	*			cis	-155.9	154	27	-115.3	-26.1	0	0	0	115
150	E	36.6	Very low	36.5	Very low	170 Å²	170	150.4 Å²	150.4	79%	0.794	80%	0.804	S	S	*	*			trans	47.7	141.3	155.5	-59	-163.9	131.2	0	0	125.9
151	D	37.3	Very low	37.2	Very low	153 Å²	153	148.2 Å²	148.2	82%	0.818	80%	0.797	S	S	*	*			trans	79.7	130.7	159.9	-74.9	-19.3	0	0	0	123.9
152	D	36.7	Very low	38.1	Very low	155 Å²	155	142.8 Å²	142.8	83%	0.829	78%	0.777	S	S	*	*			trans	54.5	94.2	166.9	-81.9	-26.6	0	0	0	120.8
153	L	36.6	Very low	39.7	Very low	162 Å²	162	137.3 Å²	137.3	85%	0.848	76%	0.756	S	S	*	*				-175.9	121	123	-103.1	166.9	0	0	0	114.3
154	L	34.2	Very low	41.3	Very low	165 Å²	165	129.7 Å²	129.7	86%	0.864	72%	0.72	S	S	*	*				160.5	128.2	126.8	-86.1	177.8	0	0	0	112.3
155	M	33.8	Very low	43.1	Very low	194 Å²	194	129.1 Å²	129.1	96%	0.956	72%	0.717	S	S	*	*			trans	-88.6	123.4	-174.8	-74.4	-73.1	-75.2	0	0	113.1
156	A	32.8	Very low	45	Very low	101 Å²	101	127.5 Å²	127.5	84%	0.835	71%	0.714	S	S	*	*			trans	-99.4	139.3	179.1	0	0	0	0	0	114.1
157	G	31.7	Very low	46.9	Very low	74 Å²	74	122.7 Å²	122.7	76%	0.763	69%	0.694	S	S	*	*			trans	77	108.8	140.6	0	0	0	0	0	119.9
158	S	38.3	Very low	49.3	Very low	126 Å²	126	117.5 Å²	117.5	88%	0.881	67%	0.668	S	S	*	*			trans	-165.8	63.9	140.5	28.8	0	0	0	0	111.8
159	Q	42.6	Very low	51.4	Low	183 Å²	183	113.1 Å²	113.1	86%	0.855	65%	0.653	S	S	*	*			trans	-68.3	140.6	159.1	-67	-179.3	-1.8	0	0	108.8	L161	Q159-L161 PolarHBondContact O-N 2.79Å
160	G	44.8	Very low	53.6	Low	77 Å²	77	111.9 Å²	111.9	79%	0.794	64%	0.639	S	S	*	*			trans	-70.1	112.7	-178.3	0	0	0	0	0	111.5
161	L	55.6	Low	55.7	Low	129 Å²	129	106.1 Å²	106.1	68%	0.675	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-68.7	128	175.2	-62	171.4	0	0	0	110	Q159 Y203	Q159-L161 PolarHBondContact O-N 2.79Å; L161-Y203 HydrophobicContact CD2-CD1 4.2Å; L161-Y203 HydrophobicContact CD2-CE1 3.58Å
162	V	60.8	Low	57.5	Low	76 Å²	76	100 Å²	100	46%	0.461	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-84.6	129.7	171.6	178.5	0	0	0	0	108.4	D166 V167	V162-D166 HydrophobicContact CG1-CB 4.19Å; V162-V167 HydrophobicContact CG1-CG2 3.87Å
163	T	71.1	Confident	59.2	Low	66 Å²	66	94.9 Å²	94.9	41%	0.405	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-95.6	162.4	178.3	74.7	0	0	0	0	111.2	E165 D166	T163-E165 PolarHBondContact O-N 3.25Å; T163-E165 PolarHBondContact OG1-N 3.2Å; T163-D166 WeakPolarHBondContact CA-OD2 3.48Å; T163-D166 WeakPolarHBondContact CB-OD2 3.32Å; T163-D166 PolarHBondContact N-OD2 3.11Å; T163-D166 PolarHBondContact O-N 2.77Å; T163-D166 PolarHBondContact OG1-N 2.84Å; T163-D166 PolarHBondContact OG1-OD2 3.48Å
164	F	74.6	Confident	60.7	Low	10 Å²	10	91.1 Å²	91.1	4%	0.044	53%	0.531	C	S	.	.	G	3₁₀ helix	trans	-60.2	-30.9	171.2	179	-95	0	0	0	112	D166 V167 A168 Y195 L198 P208 L210 I211	F164-D166 VanDerWaalsContact C-N 3.29Å; F164-D166 PolarHBondContact O-N 3.29Å; F164-V167 PolarHBondContact O-N 2.89Å; F164-V167 VanDerWaalsContact O-N 3.11Å; F164-A168 HydrophobicContact CD1-CB 4.08Å; F164-A168 HydrophobicContact CE1-CB 3.65Å; F164-A168 HydrophobicContact CZ-CB 4.07Å; F164-A168 WeakPolarHBondContact O-CB 3.25Å; F164-A168 PolarHBondContact O-N 3.14Å; F164-Y195 HydrophobicContact CD2-CD2 4.28Å; F164-L198 HydrophobicContact CB-CD1 4.06Å; F164-L198 HydrophobicContact CD2-CD1 4.08Å; F164-P208 HydrophobicContact CB-CG 4.23Å; F164-P208 HydrophobicContact CD1-CB 3.81Å; F164-P208 HydrophobicContact CD1-CG 3.47Å; F164-P208 VanDerWaalsContact CD1-CG 3.47Å; F164-P208 HydrophobicContact CD2-CG 4.38Å; F164-P208 HydrophobicContact CE1-CB 3.87Å; F164-P208 HydrophobicContact CE1-CG 3.88Å; F164-P208 HydrophobicContact CG-CG 3.75Å; F164-L210 HydrophobicContact CE1-CD2 4.13Å; F164-L210 HydrophobicContact CZ-CD2 4.26Å; F164-I211 HydrophobicContact CE1-CG1 4.34Å; F164-I211 HydrophobicContact CE2-CD1 3.88Å; F164-I211 HydrophobicContact CE2-CG1 4.06Å; F164-I211 HydrophobicContact CZ-CD1 3.58Å; F164-I211 HydrophobicContact CZ-CG1 3.74Å
165	E	75.2	Confident	62.7	Low	145 Å²	145	88.1 Å²	88.1	68%	0.678	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-73.1	-19.6	-179.3	-159.9	165.8	-150.1	0	0	113.1	T163 V167	T163-E165 PolarHBondContact O-N 3.25Å; T163-E165 PolarHBondContact OG1-N 3.2Å; E165-V167 VanDerWaalsContact C-N 3.29Å
166	D	75.2	Confident	64.7	Low	115 Å²	115	79.3 Å²	79.3	62%	0.615	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-76.1	-15.4	169.9	-61.1	-70.4	0	0	0	113.2	V162 T163 F164	V162-D166 HydrophobicContact CG1-CB 4.19Å; T163-D166 WeakPolarHBondContact CA-OD2 3.48Å; T163-D166 WeakPolarHBondContact CB-OD2 3.32Å; T163-D166 PolarHBondContact N-OD2 3.11Å; T163-D166 PolarHBondContact O-N 2.77Å; T163-D166 PolarHBondContact OG1-N 2.84Å; T163-D166 PolarHBondContact OG1-OD2 3.48Å; F164-D166 VanDerWaalsContact C-N 3.29Å; F164-D166 PolarHBondContact O-N 3.29Å
167	V	74.1	Confident	66.7	Low	50 Å²	50	80.6 Å²	80.6	30%	0.303	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-23.3	-173	-173	0	0	0	0	112	V162 F164 E165 N194	V162-V167 HydrophobicContact CG1-CG2 3.87Å; F164-V167 PolarHBondContact O-N 2.89Å; F164-V167 VanDerWaalsContact O-N 3.11Å; E165-V167 VanDerWaalsContact C-N 3.29Å; V167-N194 HydrophobicContact CG1-CB 3.96Å
168	A	78	Confident	68.8	Low	15 Å²	15	86.8 Å²	86.8	12%	0.124	46%	0.458	C	S	.	.			trans	-68.4	142.1	177	0	0	0	0	0	112.6	F164 Y170 M191 L210	F164-A168 HydrophobicContact CD1-CB 4.08Å; F164-A168 HydrophobicContact CE1-CB 3.65Å; F164-A168 HydrophobicContact CZ-CB 4.07Å; F164-A168 WeakPolarHBondContact O-CB 3.25Å; F164-A168 PolarHBondContact O-N 3.14Å; A168-Y170 HydrophobicContact CB-CE2 4.03Å; A168-M191 HydrophobicContact CB-SD 4.38Å; A168-L210 HydrophobicContact CB-CD2 4.26Å
169	V	78	Confident	70.6	Confident	76 Å²	76	82.3 Å²	82.3	46%	0.461	42%	0.424	S	S	.	.			trans	-113.8	138.2	171.2	179.3	0	0	0	0	108.1	F171 Y187	V169-F171 HydrophobicContact CG1-CZ 4.44Å; V169-Y187 HydrophobicContact CB-CE2 4.34Å; V169-Y187 VanDerWaalsContact O-CE2 3.27Å; V169-Y187 WeakPolarHBondContact O-CE2 3.27Å; V169-Y187 PolarHBondContact O-OH 3.15Å
170	Y	78.8	Confident	72.3	Confident	107 Å²	107	79.8 Å²	79.8	42%	0.42	41%	0.412	S	S	.	.			trans	-120.1	146.9	179.7	-61.1	-83.7	0	0	0	110.5	A168 L210	A168-Y170 HydrophobicContact CB-CE2 4.03Å; Y170-L210 HydrophobicContact CD1-CD1 4.4Å; Y170-L210 HydrophobicContact CD1-CD2 4.36Å; Y170-L210 HydrophobicContact CE1-CD1 4.25Å; Y170-L210 HydrophobicContact CE1-CD2 3.87Å; Y170-L210 HydrophobicContact CE1-CG 4.47Å
171	F	79.1	Confident	73.7	Confident	50 Å²	50	79.8 Å²	79.8	22%	0.219	41%	0.405	C	S	.	.			trans	-118.6	144.5	176.6	-67	-72.8	0	0	0	111.3	V169 E175 W176 L179 Y187 V222	V169-F171 HydrophobicContact CG1-CZ 4.44Å; F171-E175 HydrophobicContact CB-CB 4.29Å; F171-E175 HydrophobicContact CD1-CB 4.07Å; F171-W176 HydrophobicContact CB-CB 4.38Å; F171-W176 HydrophobicContact CB-CE3 4.26Å; F171-W176 AromaticContact CD2-CE3 3.83Å; F171-W176 HydrophobicContact CD2-CE3 3.83Å; F171-W176 HydrophobicContact CD2-CZ3 4.04Å; F171-W176 HydrophobicContact CG-CE3 4.35Å; F171-L179 HydrophobicContact CD1-CD1 4.49Å; F171-L179 HydrophobicContact CD2-CD1 3.96Å; F171-L179 HydrophobicContact CE1-CD1 4.33Å; F171-L179 HydrophobicContact CE2-CD1 3.77Å; F171-L179 HydrophobicContact CG-CD1 4.31Å; F171-L179 HydrophobicContact CZ-CD1 3.97Å; F171-Y187 HydrophobicContact CD2-CD2 4.31Å; F171-Y187 HydrophobicContact CD2-CE2 4.09Å; F171-Y187 AromaticContact CE2-CD2 3.6Å; F171-Y187 HydrophobicContact CE2-CD2 3.6Å; F171-Y187 AromaticContact CE2-CE2 3.73Å; F171-Y187 HydrophobicContact CE2-CE2 3.73Å; F171-Y187 HydrophobicContact CE2-CG 4.12Å; F171-V222 PolarHBondContact O-N 3.24Å
172	S	75.2	Confident	74.8	Confident	23 Å²	23	80.3 Å²	80.3	16%	0.161	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-69.1	169.2	164.2	59.1	0	0	0	0	111.6	E175 W176 D224	S172-E175 WeakPolarHBondContact CB-OE2 3.35Å; S172-E175 PolarHBondContact N-OE2 2.9Å; S172-E175 VanDerWaalsContact N-OE2 3.09Å; S172-E175 PolarHBondContact O-N 2.64Å; S172-E175 WeakPolarHBondContact OG-CB 3.25Å; S172-E175 WeakPolarHBondContact OG-CG 3.46Å; S172-E175 PolarHBondContact OG-N 3.37Å; S172-E175 PolarHBondContact OG-OE2 3.09Å; S172-W176 WeakPolarHBondContact O-CB 3.4Å; S172-W176 PolarHBondContact O-N 3.31Å; S172-D224 WeakPolarHBondContact CB-OD1 3.44Å
173	L	72.2	Confident	75.5	Confident	48 Å²	48	80.8 Å²	80.8	25%	0.251	41%	0.405	S	S	.	.	H	α-helix	trans	-65.9	-43.7	174.2	179.5	58.8	0	0	0	110.9	E175 W176 E177 W221 D224	L173-E175 PolarHBondContact O-N 2.8Å; L173-W176 PolarHBondContact O-N 3.3Å; L173-E177 HydrophobicContact CD1-CG 3.94Å; L173-E177 HydrophobicContact CG-CG 4.46Å; L173-E177 WeakPolarHBondContact O-CG 3.47Å; L173-E177 PolarHBondContact O-N 3.19Å; L173-W221 HydrophobicContact CB-CD2 4.14Å; L173-W221 HydrophobicContact CB-CE3 3.8Å; L173-W221 HydrophobicContact CB-CG 4.47Å; L173-W221 HydrophobicContact CB-CZ3 4.35Å; L173-W221 HydrophobicContact CD1-CB 4.48Å; L173-W221 HydrophobicContact CD1-CD2 3.81Å; L173-W221 HydrophobicContact CD1-CE3 4.27Å; L173-W221 HydrophobicContact CD1-CG 3.89Å; L173-W221 HydrophobicContact CD2-CD2 4.49Å; L173-W221 HydrophobicContact CD2-CE3 4.23Å; L173-W221 HydrophobicContact CD2-CH2 4.2Å; L173-W221 HydrophobicContact CD2-CZ2 4.44Å; L173-W221 HydrophobicContact CD2-CZ3 4.08Å; L173-W221 HydrophobicContact CG-CD2 4.36Å; L173-W221 HydrophobicContact CG-CE3 4.32Å; L173-D224 PolarHBondContact N-OD2 3.5Å
174	E	69.1	Low	75.9	Confident	84 Å²	84	80.6 Å²	80.6	39%	0.393	40%	0.397	S	S	.	.	H	α-helix	trans	-57.8	-29.7	175	-78.8	-167.2	-169.1	0	0	112.8	R178 R227	E174-R178 WeakPolarHBondContact O-CD 3.12Å; E174-R178 WeakPolarHBondContact O-CG 3.45Å; E174-R227 VanDerWaalsContact CD-NH2 3.29Å; E174-R227 IonicContact OE1-CZ 3.83Å; E174-R227 IonicContact OE1-NH1 3.79Å; E174-R227 PolarHBondContact OE1-NH1 2.84Å; E174-R227 IonicContact OE1-NH2 3.71Å; E174-R227 PolarHBondContact OE1-NH2 2.9Å; E174-R227 VanDerWaalsContact OE1-NH2 3.15Å; E174-R227 IonicContact OE2-CZ 3.34Å; E174-R227 IonicContact OE2-NH1 3.6Å; E174-R227 PolarHBondContact OE2-NH1 3.23Å; E174-R227 IonicContact OE2-NH2 3.83Å; E174-R227 PolarHBondContact OE2-NH2 3.2Å
175	E	74.9	Confident	76.1	Confident	102 Å²	102	81.2 Å²	81.2	48%	0.477	41%	0.406	S	S	.	.	H	α-helix	trans	-85.9	-41.7	176.8	-71.5	163.5	140.9	0	0	112.4	F171 S172 L173 E177 R178 L179	F171-E175 HydrophobicContact CB-CB 4.29Å; F171-E175 HydrophobicContact CD1-CB 4.07Å; S172-E175 WeakPolarHBondContact CB-OE2 3.35Å; S172-E175 PolarHBondContact N-OE2 2.9Å; S172-E175 VanDerWaalsContact N-OE2 3.09Å; S172-E175 PolarHBondContact O-N 2.64Å; S172-E175 WeakPolarHBondContact OG-CB 3.25Å; S172-E175 WeakPolarHBondContact OG-CG 3.46Å; S172-E175 PolarHBondContact OG-N 3.37Å; S172-E175 PolarHBondContact OG-OE2 3.09Å; L173-E175 PolarHBondContact O-N 2.8Å; E175-E177 PolarHBondContact O-N 2.75Å; E175-R178 WeakPolarHBondContact O-CB 3.47Å; E175-R178 PolarHBondContact O-N 3.17Å; E175-R178 VanDerWaalsContact O-N 3.08Å; E175-L179 PolarHBondContact O-N 3.37Å
176	W	76.9	Confident	76.4	Confident	8 Å²	8	79.1 Å²	79.1	3%	0.03	40%	0.4	C	S	.	.	H	α-helix	trans	-62.4	-42.9	-180	-173.8	-99.1	0	0	0	112.1	F171 S172 L173 R178 L179 R184 Y187 E219 P220 W221	F171-W176 HydrophobicContact CB-CB 4.38Å; F171-W176 HydrophobicContact CB-CE3 4.26Å; F171-W176 AromaticContact CD2-CE3 3.83Å; F171-W176 HydrophobicContact CD2-CE3 3.83Å; F171-W176 HydrophobicContact CD2-CZ3 4.04Å; F171-W176 HydrophobicContact CG-CE3 4.35Å; S172-W176 WeakPolarHBondContact O-CB 3.4Å; S172-W176 PolarHBondContact O-N 3.31Å; L173-W176 PolarHBondContact O-N 3.3Å; W176-R178 PolarHBondContact O-N 3.18Å; W176-R178 VanDerWaalsContact O-N 3.12Å; W176-L179 HydrophobicContact CD2-CD1 4.46Å; W176-L179 HydrophobicContact CE3-CD1 3.72Å; W176-L179 HydrophobicContact CZ3-CD1 3.92Å; W176-L179 PolarHBondContact O-N 3.4Å; W176-L179 VanDerWaalsContact O-N 3.15Å; W176-R184 HydrophobicContact CH2-CB 3.81Å; W176-R184 HydrophobicContact CH2-CG 3.86Å; W176-R184 HydrophobicContact CZ2-CB 3.78Å; W176-R184 HydrophobicContact CZ2-CG 3.62Å; W176-R184 HydrophobicContact CZ3-CG 4.45Å; W176-R184 VanDerWaalsContact O-CZ 3.25Å; W176-R184 PolarHBondContact O-NE 3.29Å; W176-R184 PolarHBondContact O-NH2 3.35Å; W176-R184 VanDerWaalsContact O-NH2 3.11Å; W176-Y187 AromaticContact CH2-CD1 3.73Å; W176-Y187 HydrophobicContact CH2-CD1 3.73Å; W176-Y187 HydrophobicContact CH2-CE1 4.2Å; W176-Y187 AromaticContact CZ3-CD1 3.52Å; W176-Y187 HydrophobicContact CZ3-CD1 3.52Å; W176-Y187 AromaticContact CZ3-CE1 3.8Å; W176-Y187 HydrophobicContact CZ3-CE1 3.8Å; W176-Y187 HydrophobicContact CZ3-CG 4.16Å; W176-E219 PolarHBondContact NE1-OE1 3.35Å; W176-P220 HydrophobicContact CE3-CG 4.31Å; W176-P220 HydrophobicContact CH2-CG 3.64Å; W176-P220 VanDerWaalsContact CZ2-CD 3.46Å; W176-P220 HydrophobicContact CZ2-CG 3.95Å; W176-P220 HydrophobicContact CZ3-CG 3.83Å; W176-W221 HydrophobicContact CB-CB 4.19Å; W176-W221 HydrophobicContact CG-CB 4.38Å
177	E	74.4	Confident	76.8	Confident	129 Å²	129	74.5 Å²	74.5	60%	0.603	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.8	175	-74.2	-174.4	175	0	0	113.2	L173 E175 R184	L173-E177 HydrophobicContact CD1-CG 3.94Å; L173-E177 HydrophobicContact CG-CG 4.46Å; L173-E177 WeakPolarHBondContact O-CG 3.47Å; L173-E177 PolarHBondContact O-N 3.19Å; E175-E177 PolarHBondContact O-N 2.75Å; E177-R184 PolarHBondContact O-NH2 3.27Å; E177-R184 VanDerWaalsContact O-NH2 3.14Å
178	R	75.6	Confident	77.1	Confident	203 Å²	203	75.4 Å²	75.4	77%	0.766	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-5.5	-177.4	-63.6	170.6	71.4	172	1.2	113.9	E174 E175 W176	E174-R178 WeakPolarHBondContact O-CD 3.12Å; E174-R178 WeakPolarHBondContact O-CG 3.45Å; E175-R178 WeakPolarHBondContact O-CB 3.47Å; E175-R178 PolarHBondContact O-N 3.17Å; E175-R178 VanDerWaalsContact O-N 3.08Å; W176-R178 PolarHBondContact O-N 3.18Å; W176-R178 VanDerWaalsContact O-N 3.12Å
179	L	77.2	Confident	77.3	Confident	32 Å²	32	80.8 Å²	80.8	17%	0.168	40%	0.397	C	S	.	.	S	Bend	trans	-78.8	133.1	170	-65.4	174.9	0	0	0	110.2	F171 E175 W176 Q183 R184	F171-L179 HydrophobicContact CD1-CD1 4.49Å; F171-L179 HydrophobicContact CD2-CD1 3.96Å; F171-L179 HydrophobicContact CE1-CD1 4.33Å; F171-L179 HydrophobicContact CE2-CD1 3.77Å; F171-L179 HydrophobicContact CG-CD1 4.31Å; F171-L179 HydrophobicContact CZ-CD1 3.97Å; E175-L179 PolarHBondContact O-N 3.37Å; W176-L179 HydrophobicContact CD2-CD1 4.46Å; W176-L179 HydrophobicContact CE3-CD1 3.72Å; W176-L179 HydrophobicContact CZ3-CD1 3.92Å; W176-L179 PolarHBondContact O-N 3.4Å; W176-L179 VanDerWaalsContact O-N 3.15Å; L179-Q183 HydrophobicContact CB-CB 4.28Å; L179-Q183 HydrophobicContact CD2-CB 4.25Å; L179-R184 HydrophobicContact CB-CG 3.77Å; L179-R184 HydrophobicContact CD1-CG 4.47Å; L179-R184 PolarHBondContact O-NE 3.04Å; L179-R184 PolarHBondContact O-NH2 2.99Å
180	E	77.9	Confident	77.7	Confident	130 Å²	130	79.8 Å²	79.8	61%	0.607	39%	0.391	S	S	*	.			trans	-70.2	159.1	172	-64.8	176.6	154.9	0	0	110.7	D182 Q183 R184	E180-D182 VanDerWaalsContact C-N 3.3Å; E180-D182 PolarHBondContact O-N 2.85Å; E180-Q183 HydrophobicContact CB-CG 4.22Å; E180-Q183 VanDerWaalsContact N-OE1 3.15Å; E180-Q183 WeakPolarHBondContact O-CA 3.37Å; E180-Q183 WeakPolarHBondContact O-CB 3.31Å; E180-Q183 PolarHBondContact O-N 3.29Å; E180-Q183 PolarHBondContact OE2-NE2 2.85Å; E180-R184 PolarHBondContact O-N 2.62Å
181	A	74.8	Confident	78	Confident	77 Å²	77	75 Å²	75	64%	0.636	37%	0.372	S	S	*	.	H	α-helix	trans	-55.4	-44.6	-174	0	0	0	0	0	112.7	Q183 R184 G185	A181-Q183 PolarHBondContact O-N 3.39Å; A181-R184 PolarHBondContact O-N 2.91Å; A181-G185 PolarHBondContact O-N 3.42Å
182	D	77.3	Confident	78	Confident	141 Å²	141	75.8 Å²	75.8	75%	0.754	38%	0.377	S	S	*	.	H	α-helix	trans	-62.9	-31.2	178	-53.5	-14.1	0	0	0	112.1	E180 L186	E180-D182 VanDerWaalsContact C-N 3.3Å; E180-D182 PolarHBondContact O-N 2.85Å; D182-L186 WeakPolarHBondContact O-CB 3.25Å; D182-L186 PolarHBondContact O-N 3.29Å
183	Q	76	Confident	78.4	Confident	85 Å²	85	80.5 Å²	80.5	40%	0.397	40%	0.396	S	S	.	.	H	α-helix	trans	-76.2	-35.7	177.5	-59.8	172	-4.5	0	0	111.7	L179 E180 A181 Y187	L179-Q183 HydrophobicContact CB-CB 4.28Å; L179-Q183 HydrophobicContact CD2-CB 4.25Å; E180-Q183 HydrophobicContact CB-CG 4.22Å; E180-Q183 VanDerWaalsContact N-OE1 3.15Å; E180-Q183 WeakPolarHBondContact O-CA 3.37Å; E180-Q183 WeakPolarHBondContact O-CB 3.31Å; E180-Q183 PolarHBondContact O-N 3.29Å; E180-Q183 PolarHBondContact OE2-NE2 2.85Å; A181-Q183 PolarHBondContact O-N 3.39Å; Q183-Y187 WeakPolarHBondContact O-CB 3.49Å; Q183-Y187 PolarHBondContact O-N 3.05Å
184	R	79.1	Confident	78.9	Confident	62 Å²	62	80 Å²	80	23%	0.234	39%	0.394	C	S	.	.	H	α-helix	trans	-66.9	-40.1	172.3	-61.7	-178.3	-159.9	-163.1	4.9	111	W176 E177 L179 E180 A181 Y187 Q188 E219	W176-R184 HydrophobicContact CH2-CB 3.81Å; W176-R184 HydrophobicContact CH2-CG 3.86Å; W176-R184 HydrophobicContact CZ2-CB 3.78Å; W176-R184 HydrophobicContact CZ2-CG 3.62Å; W176-R184 HydrophobicContact CZ3-CG 4.45Å; W176-R184 VanDerWaalsContact O-CZ 3.25Å; W176-R184 PolarHBondContact O-NE 3.29Å; W176-R184 PolarHBondContact O-NH2 3.35Å; W176-R184 VanDerWaalsContact O-NH2 3.11Å; E177-R184 PolarHBondContact O-NH2 3.27Å; E177-R184 VanDerWaalsContact O-NH2 3.14Å; L179-R184 HydrophobicContact CB-CG 3.77Å; L179-R184 HydrophobicContact CD1-CG 4.47Å; L179-R184 PolarHBondContact O-NE 3.04Å; L179-R184 PolarHBondContact O-NH2 2.99Å; E180-R184 PolarHBondContact O-N 2.62Å; A181-R184 PolarHBondContact O-N 2.91Å; R184-Y187 PolarHBondContact O-N 3.25Å; R184-Q188 PolarHBondContact O-N 3.3Å; R184-E219 IonicContact CZ-OE1 2.93Å; R184-E219 IonicContact NH1-OE1 2.96Å; R184-E219 PolarHBondContact NH1-OE1 3.16Å
185	G	78.5	Confident	79.5	Confident	23 Å²	23	77.8 Å²	77.8	24%	0.237	38%	0.382	C	S	.	.	H	α-helix	trans	-60.8	-52.2	172.6	0	0	0	0	0	112.4	A181 Y187 Q188 E189	A181-G185 PolarHBondContact O-N 3.42Å; G185-Y187 VanDerWaalsContact C-N 3.26Å; G185-Y187 PolarHBondContact O-N 2.91Å; G185-Q188 WeakPolarHBondContact O-CB 3.17Å; G185-Q188 PolarHBondContact O-N 2.96Å; G185-E189 WeakPolarHBondContact O-CG 3.3Å; G185-E189 PolarHBondContact O-N 3Å
186	L	82.6	Confident	79.7	Confident	102 Å²	102	74.4 Å²	74.4	53%	0.534	37%	0.374	S	S	.	.	H	α-helix	trans	-58.2	-37.2	176.7	-178.5	64	0	0	0	112.6	D182 V190	D182-L186 WeakPolarHBondContact O-CB 3.25Å; D182-L186 PolarHBondContact O-N 3.29Å; L186-V190 HydrophobicContact CD1-CG2 4.13Å; L186-V190 HydrophobicContact CG-CG2 4.44Å; L186-V190 WeakPolarHBondContact O-CB 3.4Å; L186-V190 VanDerWaalsContact O-CG2 3.27Å; L186-V190 WeakPolarHBondContact O-CG2 3.25Å; L186-V190 PolarHBondContact O-N 3.05Å
187	Y	83.8	Confident	79.8	Confident	18 Å²	18	77.8 Å²	77.8	7%	0.071	39%	0.392	C	S	.	.	H	α-helix	trans	-65.2	-43.3	174	171.1	-97.2	0	0	0	112.5	V169 F171 W176 Q183 R184 G185 V190 M191 L214 P220	V169-Y187 HydrophobicContact CB-CE2 4.34Å; V169-Y187 VanDerWaalsContact O-CE2 3.27Å; V169-Y187 WeakPolarHBondContact O-CE2 3.27Å; V169-Y187 PolarHBondContact O-OH 3.15Å; F171-Y187 HydrophobicContact CD2-CD2 4.31Å; F171-Y187 HydrophobicContact CD2-CE2 4.09Å; F171-Y187 AromaticContact CE2-CD2 3.6Å; F171-Y187 HydrophobicContact CE2-CD2 3.6Å; F171-Y187 AromaticContact CE2-CE2 3.73Å; F171-Y187 HydrophobicContact CE2-CE2 3.73Å; F171-Y187 HydrophobicContact CE2-CG 4.12Å; W176-Y187 AromaticContact CH2-CD1 3.73Å; W176-Y187 HydrophobicContact CH2-CD1 3.73Å; W176-Y187 HydrophobicContact CH2-CE1 4.2Å; W176-Y187 AromaticContact CZ3-CD1 3.52Å; W176-Y187 HydrophobicContact CZ3-CD1 3.52Å; W176-Y187 AromaticContact CZ3-CE1 3.8Å; W176-Y187 HydrophobicContact CZ3-CE1 3.8Å; W176-Y187 HydrophobicContact CZ3-CG 4.16Å; Q183-Y187 WeakPolarHBondContact O-CB 3.49Å; Q183-Y187 PolarHBondContact O-N 3.05Å; R184-Y187 PolarHBondContact O-N 3.25Å; G185-Y187 VanDerWaalsContact C-N 3.26Å; G185-Y187 PolarHBondContact O-N 2.91Å; Y187-V190 PolarHBondContact O-N 2.81Å; Y187-M191 HydrophobicContact CD1-CG 4.4Å; Y187-M191 HydrophobicContact CD2-CG 3.97Å; Y187-M191 HydrophobicContact CE1-CG 4.04Å; Y187-M191 HydrophobicContact CE2-CE 4.38Å; Y187-M191 HydrophobicContact CE2-CG 3.57Å; Y187-M191 HydrophobicContact CE2-SD 3.96Å; Y187-M191 HydrophobicContact CG-CG 4.39Å; Y187-M191 WeakPolarHBondContact O-CB 3.44Å; Y187-M191 VanDerWaalsContact O-CG 3.27Å; Y187-M191 WeakPolarHBondContact O-CG 3.47Å; Y187-M191 PolarHBondContact O-N 3.41Å; Y187-L214 HydrophobicContact CE1-CD1 4.39Å; Y187-L214 HydrophobicContact CE1-CD2 4.33Å; Y187-P220 HydrophobicContact CD1-CG 4.44Å; Y187-P220 HydrophobicContact CE1-CG 3.77Å
188	Q	80.4	Confident	79.8	Confident	69 Å²	69	72.2 Å²	72.2	32%	0.322	37%	0.367	S	S	.	.	H	α-helix	trans	-59.5	-46.7	175.2	176.5	177.2	28.9	0	0	111.2	R184 G185 Q192 L214	R184-Q188 PolarHBondContact O-N 3.3Å; G185-Q188 WeakPolarHBondContact O-CB 3.17Å; G185-Q188 PolarHBondContact O-N 2.96Å; Q188-Q192 WeakPolarHBondContact O-CB 3.41Å; Q188-Q192 VanDerWaalsContact O-CG 3.28Å; Q188-Q192 WeakPolarHBondContact O-CG 3.22Å; Q188-Q192 PolarHBondContact O-N 2.98Å; Q188-L214 HydrophobicContact CB-CD2 3.99Å; Q188-L214 HydrophobicContact CG-CB 4.48Å; Q188-L214 HydrophobicContact CG-CD2 4.03Å; Q188-L214 PolarHBondContact NE2-O 2.62Å
189	E	81.8	Confident	79.8	Confident	127 Å²	127	65.7 Å²	65.7	59%	0.593	35%	0.349	S	S	*	.	H	α-helix	trans	-59.4	-53.7	176.2	-70.2	175.3	171.9	0	0	111.6	G185 M191 Q192 E193	G185-E189 WeakPolarHBondContact O-CG 3.3Å; G185-E189 PolarHBondContact O-N 3Å; E189-M191 PolarHBondContact O-N 2.8Å; E189-Q192 PolarHBondContact O-N 3.09Å; E189-E193 WeakPolarHBondContact O-CB 3.31Å; E189-E193 PolarHBondContact O-N 3.38Å
190	V	85.3	Confident	79.8	Confident	56 Å²	56	69.2 Å²	69.2	34%	0.339	38%	0.376	S	S	.	.	H	α-helix	trans	-65.2	-36.1	-177	171.5	0	0	0	0	112.4	L186 Y187 N194	L186-V190 HydrophobicContact CD1-CG2 4.13Å; L186-V190 HydrophobicContact CG-CG2 4.44Å; L186-V190 WeakPolarHBondContact O-CB 3.4Å; L186-V190 VanDerWaalsContact O-CG2 3.27Å; L186-V190 WeakPolarHBondContact O-CG2 3.25Å; L186-V190 PolarHBondContact O-N 3.05Å; Y187-V190 PolarHBondContact O-N 2.81Å; V190-N194 WeakPolarHBondContact O-CB 3.41Å; V190-N194 PolarHBondContact O-N 3.42Å; V190-N194 PolarHBondContact O-ND2 3.26Å; V190-N194 VanDerWaalsContact O-ND2 3.11Å
191	M	85.6	Confident	79.7	Confident	5 Å²	5	68.3 Å²	68.3	3%	0.025	38%	0.375	C	S	.	.	H	α-helix	trans	-68.7	-39.8	174.8	-69.3	-63.4	99.4	0	0	111.9	A168 Y187 E189 Y195 L210 I211 L214	A168-M191 HydrophobicContact CB-SD 4.38Å; Y187-M191 HydrophobicContact CD1-CG 4.4Å; Y187-M191 HydrophobicContact CD2-CG 3.97Å; Y187-M191 HydrophobicContact CE1-CG 4.04Å; Y187-M191 HydrophobicContact CE2-CE 4.38Å; Y187-M191 HydrophobicContact CE2-CG 3.57Å; Y187-M191 HydrophobicContact CE2-SD 3.96Å; Y187-M191 HydrophobicContact CG-CG 4.39Å; Y187-M191 WeakPolarHBondContact O-CB 3.44Å; Y187-M191 VanDerWaalsContact O-CG 3.27Å; Y187-M191 WeakPolarHBondContact O-CG 3.47Å; Y187-M191 PolarHBondContact O-N 3.41Å; E189-M191 PolarHBondContact O-N 2.8Å; M191-Y195 PolarHBondContact O-N 3Å; M191-Y195 VanDerWaalsContact O-N 3.15Å; M191-L210 HydrophobicContact SD-CD2 4.24Å; M191-I211 HydrophobicContact CB-CD1 4.15Å; M191-I211 VanDerWaalsContact O-CD1 3.29Å; M191-I211 WeakPolarHBondContact O-CD1 3.42Å; M191-L214 HydrophobicContact CB-CD1 3.63Å; M191-L214 HydrophobicContact CG-CD1 4.19Å
192	Q	79.7	Confident	78.9	Confident	68 Å²	68	67.5 Å²	67.5	32%	0.318	38%	0.375	S	S	.	.	H	α-helix	trans	-67.7	-41	175.1	-72.2	177.2	13.3	0	0	112	Q188 E189 Y195 G196	Q188-Q192 WeakPolarHBondContact O-CB 3.41Å; Q188-Q192 VanDerWaalsContact O-CG 3.28Å; Q188-Q192 WeakPolarHBondContact O-CG 3.22Å; Q188-Q192 PolarHBondContact O-N 2.98Å; E189-Q192 PolarHBondContact O-N 3.09Å; Q192-Y195 PolarHBondContact O-N 3.2Å; Q192-G196 PolarHBondContact O-N 3.26Å
193	E	83.9	Confident	78.5	Confident	122 Å²	122	65 Å²	65	57%	0.57	36%	0.355	S	S	*	.	H	α-helix	trans	-62.2	-47.5	175.3	-174.8	177.3	-156.4	0	0	111.3	E189 Y195 G196 I197	E189-E193 WeakPolarHBondContact O-CB 3.31Å; E189-E193 PolarHBondContact O-N 3.38Å; E193-Y195 VanDerWaalsContact C-N 3.31Å; E193-Y195 PolarHBondContact O-N 3.31Å; E193-G196 CarbonylContact O-C 3.5Å; E193-G196 WeakPolarHBondContact O-CA 3.34Å; E193-G196 PolarHBondContact O-N 3.05Å; E193-G196 VanDerWaalsContact O-N 3.09Å; E193-I197 HydrophobicContact CG-CD1 3.9Å; E193-I197 HydrophobicContact CG-CG1 4.41Å; E193-I197 WeakPolarHBondContact O-CG1 3.05Å; E193-I197 PolarHBondContact O-N 2.9Å
194	N	82.6	Confident	77.5	Confident	38 Å²	38	67 Å²	67	20%	0.203	38%	0.376	C	S	.	.	H	α-helix	trans	-59.3	-39.4	176.6	-76.2	-30.9	0	0	0	112.6	V167 V190 L198	V167-N194 HydrophobicContact CG1-CB 3.96Å; V190-N194 WeakPolarHBondContact O-CB 3.41Å; V190-N194 PolarHBondContact O-N 3.42Å; V190-N194 PolarHBondContact O-ND2 3.26Å; V190-N194 VanDerWaalsContact O-ND2 3.11Å; N194-L198 WeakPolarHBondContact O-CG 3.46Å; N194-L198 PolarHBondContact O-N 2.74Å; N194-L198 VanDerWaalsContact O-N 3.14Å
195	Y	80.8	Confident	76.8	Confident	37 Å²	37	65.9 Å²	65.9	15%	0.145	37%	0.374	C	S	.	.	H	α-helix	trans	-66.5	-44.4	172.7	178.5	-107.5	0	0	0	111.8	F164 M191 Q192 E193 I197 L198 V199 I205 K207 P208 I211	F164-Y195 HydrophobicContact CD2-CD2 4.28Å; M191-Y195 PolarHBondContact O-N 3Å; M191-Y195 VanDerWaalsContact O-N 3.15Å; Q192-Y195 PolarHBondContact O-N 3.2Å; E193-Y195 VanDerWaalsContact C-N 3.31Å; E193-Y195 PolarHBondContact O-N 3.31Å; Y195-I197 VanDerWaalsContact C-N 3.35Å; Y195-I197 PolarHBondContact O-N 2.85Å; Y195-L198 PolarHBondContact O-N 3.38Å; Y195-V199 HydrophobicContact CD1-CG2 4.37Å; Y195-V199 HydrophobicContact CD2-CG2 4.25Å; Y195-V199 HydrophobicContact CE1-CG2 3.92Å; Y195-V199 HydrophobicContact CE2-CG2 3.78Å; Y195-V199 WeakPolarHBondContact O-CG2 3.21Å; Y195-V199 PolarHBondContact O-N 3.32Å; Y195-I205 HydrophobicContact CE2-CG2 4.43Å; Y195-K207 HydrophobicContact CE1-CG 4.35Å; Y195-P208 HydrophobicContact CD2-CG 4.24Å; Y195-P208 HydrophobicContact CE2-CG 4.31Å; Y195-I211 HydrophobicContact CD1-CG2 3.98Å; Y195-I211 HydrophobicContact CD2-CG1 4.28Å; Y195-I211 HydrophobicContact CE1-CG2 4.41Å; Y195-I211 HydrophobicContact CG-CD1 4.47Å; Y195-I211 HydrophobicContact CG-CG1 3.98Å; Y195-I211 HydrophobicContact CG-CG2 4.29Å
196	G	79.9	Confident	76.4	Confident	30 Å²	30	70.1 Å²	70.1	31%	0.309	40%	0.397	S	S	.	.	H	α-helix	trans	-59.5	-41.3	176.7	0	0	0	0	0	113.2	Q192 E193 S200	Q192-G196 PolarHBondContact O-N 3.26Å; E193-G196 CarbonylContact O-C 3.5Å; E193-G196 WeakPolarHBondContact O-CA 3.34Å; E193-G196 PolarHBondContact O-N 3.05Å; E193-G196 VanDerWaalsContact O-N 3.09Å; G196-S200 VanDerWaalsContact O-CB 3.25Å; G196-S200 WeakPolarHBondContact O-CB 3.05Å; G196-S200 PolarHBondContact O-N 2.93Å; G196-S200 PolarHBondContact O-OG 2.77Å
197	I	79.3	Confident	75.9	Confident	79 Å²	79	69.4 Å²	69.4	41%	0.405	39%	0.39	S	S	.	.	H	α-helix	trans	-62.2	-50	174.3	-70	166.2	0	0	0	110.5	E193 Y195 V199 S200 L201	E193-I197 HydrophobicContact CG-CD1 3.9Å; E193-I197 HydrophobicContact CG-CG1 4.41Å; E193-I197 WeakPolarHBondContact O-CG1 3.05Å; E193-I197 PolarHBondContact O-N 2.9Å; Y195-I197 VanDerWaalsContact C-N 3.35Å; Y195-I197 PolarHBondContact O-N 2.85Å; I197-V199 VanDerWaalsContact C-N 3.34Å; I197-V199 PolarHBondContact O-N 3.17Å; I197-S200 PolarHBondContact O-N 3.2Å; I197-S200 VanDerWaalsContact O-N 3.14Å; I197-L201 HydrophobicContact CG2-CD1 3.94Å; I197-L201 HydrophobicContact CG2-CG 4.48Å; I197-L201 WeakPolarHBondContact O-CG 3.45Å; I197-L201 PolarHBondContact O-N 2.83Å
198	L	73.7	Confident	75.6	Confident	12 Å²	12	69.8 Å²	69.8	6%	0.063	39%	0.394	C	S	.	.	H	α-helix	trans	-64.1	-36.7	-178.7	-72.7	167.4	0	0	0	112.8	F164 N194 Y195 Y203 I205	F164-L198 HydrophobicContact CB-CD1 4.06Å; F164-L198 HydrophobicContact CD2-CD1 4.08Å; N194-L198 WeakPolarHBondContact O-CG 3.46Å; N194-L198 PolarHBondContact O-N 2.74Å; N194-L198 VanDerWaalsContact O-N 3.14Å; Y195-L198 PolarHBondContact O-N 3.38Å; L198-Y203 HydrophobicContact CD2-CD2 4.32Å; L198-Y203 WeakPolarHBondContact O-CD2 3.48Å; L198-I205 HydrophobicContact CB-CD1 3.78Å; L198-I205 HydrophobicContact CD1-CD1 4.25Å; L198-I205 HydrophobicContact CG-CD1 4.45Å
199	V	76	Confident	75.3	Confident	66 Å²	66	72.5 Å²	72.5	40%	0.4	41%	0.411	S	S	.	.	H	α-helix	trans	-69	-39.6	172.2	173.4	0	0	0	0	111.4	Y195 I197 L201 G202	Y195-V199 HydrophobicContact CD1-CG2 4.37Å; Y195-V199 HydrophobicContact CD2-CG2 4.25Å; Y195-V199 HydrophobicContact CE1-CG2 3.92Å; Y195-V199 HydrophobicContact CE2-CG2 3.78Å; Y195-V199 WeakPolarHBondContact O-CG2 3.21Å; Y195-V199 PolarHBondContact O-N 3.32Å; I197-V199 VanDerWaalsContact C-N 3.34Å; I197-V199 PolarHBondContact O-N 3.17Å; V199-L201 VanDerWaalsContact C-N 3.26Å; V199-L201 PolarHBondContact O-N 3.1Å; V199-G202 PolarHBondContact O-N 3.42Å
200	S	76.6	Confident	75	Confident	106 Å²	106	66.7 Å²	66.7	74%	0.741	38%	0.384	S	S	*	.	H	α-helix	trans	-68.1	-24.5	178.5	-58.9	0	0	0	0	113.3	G196 I197 G202	G196-S200 VanDerWaalsContact O-CB 3.25Å; G196-S200 WeakPolarHBondContact O-CB 3.05Å; G196-S200 PolarHBondContact O-N 2.93Å; G196-S200 PolarHBondContact O-OG 2.77Å; I197-S200 PolarHBondContact O-N 3.2Å; I197-S200 VanDerWaalsContact O-N 3.14Å; S200-G202 PolarHBondContact O-N 3.48Å
201	L	76.4	Confident	74.7	Confident	111 Å²	111	64 Å²	64	58%	0.581	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	5.9	170.7	-69.8	169.1	0	0	0	113.4	I197 V199 Y203	I197-L201 HydrophobicContact CG2-CD1 3.94Å; I197-L201 HydrophobicContact CG2-CG 4.48Å; I197-L201 WeakPolarHBondContact O-CG 3.45Å; I197-L201 PolarHBondContact O-N 2.83Å; V199-L201 VanDerWaalsContact C-N 3.26Å; V199-L201 PolarHBondContact O-N 3.1Å; L201-Y203 HydrophobicContact CB-CD2 3.85Å; L201-Y203 HydrophobicContact CB-CE2 3.75Å; L201-Y203 HydrophobicContact CD1-CE2 4.3Å
202	G	57.3	Low	74.4	Confident	61 Å²	61	69 Å²	69	63%	0.629	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	6.7	173.5	0	0	0	0	0	114.9	V199 S200 P204	V199-G202 PolarHBondContact O-N 3.42Å; S200-G202 PolarHBondContact O-N 3.48Å; G202-P204 WeakPolarHBondContact O-CD 3.31Å
203	Y	68.6	Low	74	Confident	87 Å²	87	68.8 Å²	68.8	34%	0.341	39%	0.386	S	S	.	.			trans	-76	124.7	177.9	-60.7	-59.9	0	0	0	111	L161 L198 L201 I205	L161-Y203 HydrophobicContact CD2-CD1 4.2Å; L161-Y203 HydrophobicContact CD2-CE1 3.58Å; L198-Y203 HydrophobicContact CD2-CD2 4.32Å; L198-Y203 WeakPolarHBondContact O-CD2 3.48Å; L201-Y203 HydrophobicContact CB-CD2 3.85Å; L201-Y203 HydrophobicContact CB-CE2 3.75Å; L201-Y203 HydrophobicContact CD1-CE2 4.3Å; Y203-I205 PolarHBondContact O-N 3.36Å
204	P	55.6	Low	73.6	Confident	128 Å²	128	63.2 Å²	63.2	83%	0.831	36%	0.36	S	S	*	.			trans	-78.2	66	178.1	33.4	-35.9	0	0	0	111	G202 P206	G202-P204 WeakPolarHBondContact O-CD 3.31Å; P204-P206 WeakPolarHBondContact O-CD 3.37Å
205	I	65.5	Low	73.1	Confident	38 Å²	38	66.3 Å²	66.3	20%	0.195	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-81.1	119.8	179.7	-54.7	-175	0	0	0	109	Y195 L198 Y203	Y195-I205 HydrophobicContact CE2-CG2 4.43Å; L198-I205 HydrophobicContact CB-CD1 3.78Å; L198-I205 HydrophobicContact CD1-CD1 4.25Å; L198-I205 HydrophobicContact CG-CD1 4.45Å; Y203-I205 PolarHBondContact O-N 3.36Å
206	P	70.1	Confident	72.5	Confident	112 Å²	112	69.8 Å²	69.8	73%	0.727	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-64.9	137.7	170.7	28.7	-33.8	0	0	0	109.5	P204 P208	P204-P206 WeakPolarHBondContact O-CD 3.37Å; P206-P208 VanDerWaalsContact O-CD 3.27Å; P206-P208 WeakPolarHBondContact O-CD 3.44Å; P206-P208 VanDerWaalsContact O-N 3.15Å
207	K	70.8	Confident	71.6	Confident	88 Å²	88	71.2 Å²	71.2	38%	0.383	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-56.7	116	-169.2	-166.2	167.3	-156.8	164	0	111.9	Y195 I211 E215	Y195-K207 HydrophobicContact CE1-CG 4.35Å; K207-I211 HydrophobicContact CG-CB 4.47Å; K207-I211 HydrophobicContact CG-CG2 4.37Å; K207-E215 WeakPolarHBondContact CE-OE1 3.49Å; K207-E215 WeakPolarHBondContact CE-OE2 3.41Å; K207-E215 IonicContact NZ-OE1 3.1Å; K207-E215 PolarHBondContact NZ-OE1 2.89Å; K207-E215 IonicContact NZ-OE2 2.81Å; K207-E215 PolarHBondContact NZ-OE2 3.43Å
208	P	78.1	Confident	70.8	Confident	25 Å²	25	72.5 Å²	72.5	16%	0.162	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-64.9	143.8	-176.7	-22.8	32.9	0	0	0	112.6	F164 Y195 P206 L210 I211 F212	F164-P208 HydrophobicContact CB-CG 4.23Å; F164-P208 HydrophobicContact CD1-CB 3.81Å; F164-P208 HydrophobicContact CD1-CG 3.47Å; F164-P208 VanDerWaalsContact CD1-CG 3.47Å; F164-P208 HydrophobicContact CD2-CG 4.38Å; F164-P208 HydrophobicContact CE1-CB 3.87Å; F164-P208 HydrophobicContact CE1-CG 3.88Å; F164-P208 HydrophobicContact CG-CG 3.75Å; Y195-P208 HydrophobicContact CD2-CG 4.24Å; Y195-P208 HydrophobicContact CE2-CG 4.31Å; P206-P208 VanDerWaalsContact O-CD 3.27Å; P206-P208 WeakPolarHBondContact O-CD 3.44Å; P206-P208 VanDerWaalsContact O-N 3.15Å; P208-L210 PolarHBondContact O-N 3.49Å; P208-I211 HydrophobicContact CB-CG1 4.33Å; P208-I211 HydrophobicContact CG-CG1 4.31Å; P208-I211 PolarHBondContact O-N 3.03Å; P208-F212 PolarHBondContact O-N 2.92Å
209	D	73.7	Confident	70.1	Confident	126 Å²	126	76.9 Å²	76.9	67%	0.674	43%	0.43	S	S	*	.	H	α-helix	trans	-57.6	-24.1	178.3	-61.9	-30.7	0	0	0	113.3	R213	D209-R213 VanDerWaalsContact O-CG 3.32Å; D209-R213 WeakPolarHBondContact O-CG 3.45Å; D209-R213 PolarHBondContact O-N 2.99Å; D209-R213 PolarHBondContact O-NE 3.08Å
210	L	76.2	Confident	69.3	Low	5 Å²	5	73.8 Å²	73.8	3%	0.026	41%	0.412	C	S	.	.	H	α-helix	trans	-66.2	-47.5	171.8	-173.3	66.9	0	0	0	111.7	F164 A168 Y170 M191 P208 L214 P220	F164-L210 HydrophobicContact CE1-CD2 4.13Å; F164-L210 HydrophobicContact CZ-CD2 4.26Å; A168-L210 HydrophobicContact CB-CD2 4.26Å; Y170-L210 HydrophobicContact CD1-CD1 4.4Å; Y170-L210 HydrophobicContact CD1-CD2 4.36Å; Y170-L210 HydrophobicContact CE1-CD1 4.25Å; Y170-L210 HydrophobicContact CE1-CD2 3.87Å; Y170-L210 HydrophobicContact CE1-CG 4.47Å; M191-L210 HydrophobicContact SD-CD2 4.24Å; P208-L210 PolarHBondContact O-N 3.49Å; L210-L214 HydrophobicContact CG-CD1 4.25Å; L210-L214 WeakPolarHBondContact O-CB 3.39Å; L210-L214 VanDerWaalsContact O-CG 3.28Å; L210-L214 WeakPolarHBondContact O-CG 3.36Å; L210-L214 PolarHBondContact O-N 3.15Å; L210-P220 HydrophobicContact CD1-CB 3.72Å
211	I	78.3	Confident	68.6	Low	0 Å²	0	73.3 Å²	73.3	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-69.7	-39.2	179.3	-57.9	-59.2	0	0	0	110.7	F164 M191 Y195 K207 P208 R213 L214 E215	F164-I211 HydrophobicContact CE1-CG1 4.34Å; F164-I211 HydrophobicContact CE2-CD1 3.88Å; F164-I211 HydrophobicContact CE2-CG1 4.06Å; F164-I211 HydrophobicContact CZ-CD1 3.58Å; F164-I211 HydrophobicContact CZ-CG1 3.74Å; M191-I211 HydrophobicContact CB-CD1 4.15Å; M191-I211 VanDerWaalsContact O-CD1 3.29Å; M191-I211 WeakPolarHBondContact O-CD1 3.42Å; Y195-I211 HydrophobicContact CD1-CG2 3.98Å; Y195-I211 HydrophobicContact CD2-CG1 4.28Å; Y195-I211 HydrophobicContact CE1-CG2 4.41Å; Y195-I211 HydrophobicContact CG-CD1 4.47Å; Y195-I211 HydrophobicContact CG-CG1 3.98Å; Y195-I211 HydrophobicContact CG-CG2 4.29Å; K207-I211 HydrophobicContact CG-CB 4.47Å; K207-I211 HydrophobicContact CG-CG2 4.37Å; P208-I211 HydrophobicContact CB-CG1 4.33Å; P208-I211 HydrophobicContact CG-CG1 4.31Å; P208-I211 PolarHBondContact O-N 3.03Å; I211-R213 VanDerWaalsContact C-N 3.34Å; I211-R213 PolarHBondContact O-N 3.5Å; I211-L214 HydrophobicContact CD1-CD1 4.4Å; I211-L214 PolarHBondContact O-N 3.37Å; I211-E215 PolarHBondContact O-N 3.36Å
212	F	78.5	Confident	67.5	Low	109 Å²	109	71.3 Å²	71.3	48%	0.478	39%	0.386	S	S	.	.	H	α-helix	trans	-60.2	-41.3	177.1	-174.5	-109	0	0	0	112.5	P208 Q216	P208-F212 PolarHBondContact O-N 2.92Å; F212-Q216 VanDerWaalsContact CE2-NE2 3.29Å; F212-Q216 WeakPolarHBondContact O-CG 3.33Å; F212-Q216 PolarHBondContact O-N 3.1Å; F212-Q216 PolarHBondContact O-NE2 3.05Å
213	R	72.3	Confident	66.7	Low	64 Å²	64	73.4 Å²	73.4	24%	0.242	39%	0.388	C	S	.	.	H	α-helix	trans	-69.5	-44.5	173.4	-73.1	-173.3	-68.1	153.4	-1.3	112.6	D209 I211 E215 Q216 G217 E218	D209-R213 VanDerWaalsContact O-CG 3.32Å; D209-R213 WeakPolarHBondContact O-CG 3.45Å; D209-R213 PolarHBondContact O-N 2.99Å; D209-R213 PolarHBondContact O-NE 3.08Å; I211-R213 VanDerWaalsContact C-N 3.34Å; I211-R213 PolarHBondContact O-N 3.5Å; R213-E215 VanDerWaalsContact C-N 3.27Å; R213-E215 PolarHBondContact O-N 3.26Å; R213-Q216 PolarHBondContact O-N 3.38Å; R213-G217 PolarHBondContact O-N 2.86Å; R213-G217 VanDerWaalsContact O-N 3.14Å; R213-E218 HydrophobicContact CB-CB 4.13Å; R213-E218 HydrophobicContact CG-CB 4.45Å; R213-E218 WeakPolarHBondContact CG-OE2 3.38Å; R213-E218 PolarHBondContact O-N 3.31Å; R213-E218 VanDerWaalsContact O-N 3.09Å
214	L	74.9	Confident	65.3	Low	5 Å²	5	73.4 Å²	73.4	3%	0.026	39%	0.394	C	S	.	.	H	α-helix	trans	-61.3	-30.8	177.3	-77.9	174	0	0	0	113.4	Y187 Q188 M191 L210 I211 P220	Y187-L214 HydrophobicContact CE1-CD1 4.39Å; Y187-L214 HydrophobicContact CE1-CD2 4.33Å; Q188-L214 HydrophobicContact CB-CD2 3.99Å; Q188-L214 HydrophobicContact CG-CB 4.48Å; Q188-L214 HydrophobicContact CG-CD2 4.03Å; Q188-L214 PolarHBondContact NE2-O 2.62Å; M191-L214 HydrophobicContact CB-CD1 3.63Å; M191-L214 HydrophobicContact CG-CD1 4.19Å; L210-L214 HydrophobicContact CG-CD1 4.25Å; L210-L214 WeakPolarHBondContact O-CB 3.39Å; L210-L214 VanDerWaalsContact O-CG 3.28Å; L210-L214 WeakPolarHBondContact O-CG 3.36Å; L210-L214 PolarHBondContact O-N 3.15Å; I211-L214 HydrophobicContact CD1-CD1 4.4Å; I211-L214 PolarHBondContact O-N 3.37Å; L214-P220 HydrophobicContact CD2-CB 4.24Å; L214-P220 HydrophobicContact CD2-CG 3.83Å; L214-P220 HydrophobicContact CG-CB 4.47Å
215	E	72.9	Confident	64.3	Low	103 Å²	103	72.3 Å²	72.3	48%	0.481	39%	0.389	S	S	.	.	H	α-helix	trans	-77.3	-24.4	173.6	-77.2	-179.7	-173.4	0	0	113.7	K207 I211 R213 G217	K207-E215 WeakPolarHBondContact CE-OE1 3.49Å; K207-E215 WeakPolarHBondContact CE-OE2 3.41Å; K207-E215 IonicContact NZ-OE1 3.1Å; K207-E215 PolarHBondContact NZ-OE1 2.89Å; K207-E215 IonicContact NZ-OE2 2.81Å; K207-E215 PolarHBondContact NZ-OE2 3.43Å; I211-E215 PolarHBondContact O-N 3.36Å; R213-E215 VanDerWaalsContact C-N 3.27Å; R213-E215 PolarHBondContact O-N 3.26Å; E215-G217 VanDerWaalsContact C-N 3.35Å
216	Q	68.7	Low	63	Low	110 Å²	110	76.6 Å²	76.6	51%	0.514	42%	0.42	S	S	.	.	H	α-helix	trans	-87.5	-6.8	177	-71.6	173.7	48.9	0	0	113	F212 R213 E218	F212-Q216 VanDerWaalsContact CE2-NE2 3.29Å; F212-Q216 WeakPolarHBondContact O-CG 3.33Å; F212-Q216 PolarHBondContact O-N 3.1Å; F212-Q216 PolarHBondContact O-NE2 3.05Å; R213-Q216 PolarHBondContact O-N 3.38Å; Q216-E218 HydrophobicContact CB-CG 4.31Å
217	G	59.7	Low	61	Low	60 Å²	60	80.6 Å²	80.6	62%	0.619	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	20.1	-176.4	0	0	0	0	0	113.7	R213 E215	R213-G217 PolarHBondContact O-N 2.86Å; R213-G217 VanDerWaalsContact O-N 3.14Å; E215-G217 VanDerWaalsContact C-N 3.35Å
218	E	63.9	Low	59	Low	106 Å²	106	87.4 Å²	87.4	50%	0.495	44%	0.444	S	S	.	.			trans	-81.2	141.6	174.3	-62.8	-165.3	150.5	0	0	111.3	R213 Q216 P220	R213-E218 HydrophobicContact CB-CB 4.13Å; R213-E218 HydrophobicContact CG-CB 4.45Å; R213-E218 WeakPolarHBondContact CG-OE2 3.38Å; R213-E218 PolarHBondContact O-N 3.31Å; R213-E218 VanDerWaalsContact O-N 3.09Å; Q216-E218 HydrophobicContact CB-CG 4.31Å; E218-P220 WeakPolarHBondContact O-CD 3.42Å
219	E	57.3	Low	56.7	Low	104 Å²	104	95.5 Å²	95.5	49%	0.486	48%	0.479	S	S	.	.			trans	-72.6	120.4	-178.7	-67.2	-157.2	104	0	0	112.1	W176 R184 W221	W176-E219 PolarHBondContact NE1-OE1 3.35Å; R184-E219 IonicContact CZ-OE1 2.93Å; R184-E219 IonicContact NH1-OE1 2.96Å; R184-E219 PolarHBondContact NH1-OE1 3.16Å; E219-W221 PolarHBondContact O-N 3.38Å; E219-W221 VanDerWaalsContact O-N 3.11Å
220	P	59.7	Low	54.7	Low	2 Å²	2	99 Å²	99	1%	0.013	49%	0.491	C	S	.	.			trans	-89.4	44.5	-164.9	38.7	-41.6	0	0	0	114.8	W176 Y187 L210 L214 E218	W176-P220 HydrophobicContact CE3-CG 4.31Å; W176-P220 HydrophobicContact CH2-CG 3.64Å; W176-P220 VanDerWaalsContact CZ2-CD 3.46Å; W176-P220 HydrophobicContact CZ2-CG 3.95Å; W176-P220 HydrophobicContact CZ3-CG 3.83Å; Y187-P220 HydrophobicContact CD1-CG 4.44Å; Y187-P220 HydrophobicContact CE1-CG 3.77Å; L210-P220 HydrophobicContact CD1-CB 3.72Å; L214-P220 HydrophobicContact CD2-CB 4.24Å; L214-P220 HydrophobicContact CD2-CG 3.83Å; L214-P220 HydrophobicContact CG-CB 4.47Å; E218-P220 WeakPolarHBondContact O-CD 3.42Å
221	W	62.9	Low	52.3	Low	96 Å²	96	102 Å²	102	36%	0.364	52%	0.524	S	S	.	.			trans	-84.3	170.5	176	60.8	-90.3	0	0	0	113.1	L173 W176 E219 P223	L173-W221 HydrophobicContact CB-CD2 4.14Å; L173-W221 HydrophobicContact CB-CE3 3.8Å; L173-W221 HydrophobicContact CB-CG 4.47Å; L173-W221 HydrophobicContact CB-CZ3 4.35Å; L173-W221 HydrophobicContact CD1-CB 4.48Å; L173-W221 HydrophobicContact CD1-CD2 3.81Å; L173-W221 HydrophobicContact CD1-CE3 4.27Å; L173-W221 HydrophobicContact CD1-CG 3.89Å; L173-W221 HydrophobicContact CD2-CD2 4.49Å; L173-W221 HydrophobicContact CD2-CE3 4.23Å; L173-W221 HydrophobicContact CD2-CH2 4.2Å; L173-W221 HydrophobicContact CD2-CZ2 4.44Å; L173-W221 HydrophobicContact CD2-CZ3 4.08Å; L173-W221 HydrophobicContact CG-CD2 4.36Å; L173-W221 HydrophobicContact CG-CE3 4.32Å; W176-W221 HydrophobicContact CB-CB 4.19Å; W176-W221 HydrophobicContact CG-CB 4.38Å; E219-W221 PolarHBondContact O-N 3.38Å; E219-W221 VanDerWaalsContact O-N 3.11Å; W221-P223 HydrophobicContact CZ3-CB 4.21Å; W221-P223 HydrophobicContact CZ3-CG 3.9Å
222	V	53.3	Low	49.9	Very low	69 Å²	69	110.1 Å²	110.1	42%	0.418	57%	0.568	S	S	.	*	B	Isolated β-bridge	trans	-129.7	138.2	177.8	-176.7	0	0	0	0	109.8	F171	F171-V222 PolarHBondContact O-N 3.24Å
223	P	39.1	Very low	47.7	Very low	105 Å²	105	112.5 Å²	112.5	68%	0.682	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-66.5	136.7	-173.9	-22.4	33.5	0	0	0	115.6	W221	W221-P223 HydrophobicContact CZ3-CB 4.21Å; W221-P223 HydrophobicContact CZ3-CG 3.9Å
224	D	40.5	Very low	45.5	Very low	87 Å²	87	116 Å²	116	47%	0.465	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-76.8	141.2	-177.9	-77.1	-70.3	0	0	0	114.7	S172 L173	S172-D224 WeakPolarHBondContact CB-OD1 3.44Å; L173-D224 PolarHBondContact N-OD2 3.5Å
225	S	33.9	Very low	43.4	Very low	104 Å²	104	122.2 Å²	122.2	73%	0.727	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-78.3	135.8	172.9	64.5	0	0	0	0	111.4
226	P	37.5	Very low	41.1	Very low	128 Å²	128	120.9 Å²	120.9	83%	0.831	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-67.5	134.6	-164.7	25.1	-35	0	0	0	114.5
227	R	28.4	Very low	39.5	Very low	196 Å²	196	122.4 Å²	122.4	74%	0.74	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-74.2	166.5	165.3	-64.9	-176.8	-177.9	140.3	9.6	110.7	E174	E174-R227 VanDerWaalsContact CD-NH2 3.29Å; E174-R227 IonicContact OE1-CZ 3.83Å; E174-R227 IonicContact OE1-NH1 3.79Å; E174-R227 PolarHBondContact OE1-NH1 2.84Å; E174-R227 IonicContact OE1-NH2 3.71Å; E174-R227 PolarHBondContact OE1-NH2 2.9Å; E174-R227 VanDerWaalsContact OE1-NH2 3.15Å; E174-R227 IonicContact OE2-CZ 3.34Å; E174-R227 IonicContact OE2-NH1 3.6Å; E174-R227 PolarHBondContact OE2-NH1 3.23Å; E174-R227 IonicContact OE2-NH2 3.83Å; E174-R227 PolarHBondContact OE2-NH2 3.2Å
228	R	29.1	Very low	37.8	Very low	231 Å²	231	130 Å²	130	87%	0.872	69%	0.692	S	S	*	*			trans	-126.8	137.9	173.5	-172.9	173.1	-178.8	165.5	0.8	109.7
229	E	30	Very low	36.3	Very low	195 Å²	195	130.5 Å²	130.5	91%	0.911	70%	0.702	S	S	*	*			trans	-81.1	176.6	-170	-63.4	177.3	127	0	0	114
230	E	31.5	Very low	34.7	Very low	199 Å²	199	128.3 Å²	128.3	93%	0.93	71%	0.708	S	S	*	*			trans	-106.2	145.4	-162.5	-176.1	169.9	-137.3	0	0	112.7
231	G	27.1	Very low	33.5	Very low	69 Å²	69	133.1 Å²	133.1	71%	0.711	75%	0.748	S	S	*	*			trans	98.9	109.9	170.6	0	0	0	0	0	116
232	D	26.5	Very low	31.7	Very low	171 Å²	171	138.9 Å²	138.9	91%	0.914	77%	0.77	S	S	*	*				-171.9	157.6	93.6	-119.4	-20.6	0	0	0	112.1
233	I	33.8	Very low	30.3	Very low	159 Å²	159	143.9 Å²	143.9	82%	0.815	79%	0.786	S	S	*	*			trans	-108.6	119.8	-175.5	-57.7	172	0	0	0	111
234	V	24.8	Very low	29.7	Very low	137 Å²	137	147.5 Å²	147.5	83%	0.83	79%	0.786	S	S	*	*			trans	-133.4	135.3	162.6	-177.7	0	0	0	0	110.7
235	T	32.1	Very low	29	Very low	136 Å²	136	148.1 Å²	148.1	83%	0.834	79%	0.793	S	S	*	*			trans	-68.3	137.3	-177.2	51.4	0	0	0	0	113.6
236	G	24	Very low	28.9	Very low	74 Å²	74	148.3 Å²	148.3	76%	0.763	79%	0.786	S	S	*	*			trans	-149.8	103.8	170	0	0	0	0	0	112.4
237	V	34.8	Very low	28.6	Very low	143 Å²	143	148.4 Å²	148.4	87%	0.867	78%	0.779	S	S	*	*			trans	-77.7	121.8	172	175.2	0	0	0	0	109
238	Y	23.6	Very low	28.7	Very low	219 Å²	219	145.5 Å²	145.5	86%	0.859	78%	0.777	S	S	*	*			trans	-145.5	145.2	159.8	-152.1	-101.7	0	0	0	113.5
239	T	33.1	Very low	29.1	Very low	116 Å²	116	142.7 Å²	142.7	71%	0.712	77%	0.774	S	S	*	*			trans	-92.6	127.7	-174.8	50.6	0	0	0	0	111.6
240	G	23.6	Very low	29.2	Very low	59 Å²	59	140.6 Å²	140.6	61%	0.608	77%	0.769	S	S	*	*			trans	-161.2	117.2	172.3	0	0	0	0	0	111.7
241	A	33.1	Very low	29.4	Very low	103 Å²	103	138 Å²	138	85%	0.851	76%	0.756	S	S	*	*			trans	-80.5	127.7	179.8	0	0	0	0	0	111
242	W	25.8	Very low	29.8	Very low	217 Å²	217	142.4 Å²	142.4	82%	0.822	76%	0.764	S	S	*	*			trans	-103.3	101.5	175.8	-77.1	95.7	0	0	0	111.4	W244	W242-W244 AromaticContact CE3-NE1 3.89Å
243	F	25.2	Very low	30.4	Very low	173 Å²	173	143.3 Å²	143.3	76%	0.759	76%	0.763	S	S	*	*			trans	-82.1	117.5	174.4	-141.1	-94.2	0	0	0	108.7
244	W	25.7	Very low	30.4	Very low	182 Å²	182	142.3 Å²	142.3	69%	0.689	76%	0.755	S	S	*	*			trans	-128.9	121.4	169.1	-78.2	110.2	0	0	0	110.7	W242	W242-W244 AromaticContact CE3-NE1 3.89Å
245	T	26.5	Very low	30.8	Very low	100 Å²	100	143 Å²	143	61%	0.613	75%	0.754	S	S	*	*			trans	-77.4	131	177	48.8	0	0	0	0	111	D247	T245-D247 PolarHBondContact O-N 3.06Å
246	D	30.2	Very low	30.9	Very low	108 Å²	108	142.4 Å²	142.4	58%	0.578	75%	0.745	S	S	*	*			trans	-57.2	118.1	159.5	-63.2	-115.8	0	0	0	110.4	R445	D246-R445 VanDerWaalsContact CG-CZ 3.49Å; D246-R445 IonicContact OD1-CZ 2.71Å; D246-R445 IonicContact OD1-NH1 2.8Å; D246-R445 PolarHBondContact OD1-NH1 3.01Å; D246-R445 IonicContact OD1-NH2 3.08Å; D246-R445 PolarHBondContact OD1-NH2 3.08Å; D246-R445 IonicContact OD2-CZ 3.62Å; D246-R445 IonicContact OD2-NH1 2.91Å; D246-R445 IonicContact OD2-NH2 3.33Å; D246-R445 PolarHBondContact OD2-NH2 3.39Å
247	D	32.9	Very low	31.5	Very low	129 Å²	129	147 Å²	147	69%	0.69	75%	0.747	S	S	*	*			trans	-162	79.7	160.5	-108	-30	0	0	0	110.6	T245	T245-D247 PolarHBondContact O-N 3.06Å
248	I	29.9	Very low	31.4	Very low	135 Å²	135	148.3 Å²	148.3	69%	0.692	75%	0.749	S	S	*	*				-178.8	124.9	129.5	-94.1	161.1	0	0	0	109.6
249	E	38	Very low	31.6	Very low	173 Å²	173	144.7 Å²	144.7	81%	0.808	74%	0.738	S	S	*	*			trans	-101.8	99.7	168	-65.9	177.6	145.1	0	0	108
250	D	31.3	Very low	31.7	Very low	150 Å²	150	146.5 Å²	146.5	80%	0.802	74%	0.742	S	S	*	*			trans	-106	131.5	160	-84.1	-34.6	0	0	0	107.8
251	H	34.6	Very low	32.1	Very low	144 Å²	144	147.4 Å²	147.4	67%	0.667	75%	0.745	S	S	*	*			trans	-135.2	108.7	-174.3	161.9	69.5	0	0	0	110.2
252	D	35.9	Very low	31.9	Very low	162 Å²	162	150.5 Å²	150.5	87%	0.866	74%	0.741	S	S	*	*			trans	-155.1	99.8	168	-85.1	-52.3	0	0	0	107.2
253	E	38.8	Very low	32.1	Very low	191 Å²	191	146.8 Å²	146.8	89%	0.893	74%	0.742	S	S	*	*			trans	174.2	39.9	158.8	-104.1	-177	-155.1	0	0	112.2
254	E	35	Very low	32.2	Very low	138 Å²	138	142.5 Å²	142.5	65%	0.645	74%	0.739	S	S	*	*			trans	-136.2	65.7	171.9	-70.1	-172.1	-173.1	0	0	110.9
255	D	33.1	Very low	32.4	Very low	151 Å²	151	142.6 Å²	142.6	81%	0.807	75%	0.747	S	S	*	*			trans	-152.9	65.7	173.9	-95.3	-28.5	0	0	0	109.1
256	D	33.7	Very low	32.7	Very low	123 Å²	123	146.5 Å²	146.5	66%	0.658	76%	0.758	S	S	*	*			trans	-149.7	18.4	-179.7	-131.8	4.9	0	0	0	112.3	R743	D256-R743 IonicContact OD2-NH2 3.77Å
257	E	37.1	Very low	32.7	Very low	171 Å²	171	149.5 Å²	149.5	80%	0.799	77%	0.769	S	S	*	*			trans	-131.8	53.2	-177.2	-66.1	-160.2	160.4	0	0	114.4
258	D	32.7	Very low	32.4	Very low	171 Å²	171	150.9 Å²	150.9	91%	0.914	78%	0.776	S	S	*	*	S	Bend	trans	-157.3	63.5	162.6	-100.6	-32.7	0	0	0	112
259	F	27.8	Very low	32.3	Very low	142 Å²	142	153 Å²	153	62%	0.623	78%	0.783	S	S	*	*			trans	-155.8	55	170.8	-159.3	-96.5	0	0	0	113.9	R724	F259-R724 VanDerWaalsContact CE2-NH1 3.26Å
260	L	34.8	Very low	32.8	Very low	154 Å²	154	149.6 Å²	149.6	81%	0.806	78%	0.776	S	S	*	*			trans	-144.1	50.5	170.4	-77.7	-174.9	0	0	0	114.1
261	A	31.5	Very low	32.9	Very low	79 Å²	79	148.6 Å²	148.6	65%	0.653	78%	0.777	S	S	*	*			trans	-157.5	126.7	155.8	0	0	0	0	0	103.2
262	E	30.3	Very low	32.4	Very low	167 Å²	167	144.8 Å²	144.8	78%	0.78	78%	0.777	S	S	*	*			cis	-135	157.9	24.7	-73.2	-64.2	117.6	0	0	111.6
263	V	28.3	Very low	32	Very low	140 Å²	140	145.4 Å²	145.4	85%	0.848	78%	0.78	S	S	*	*			trans	-162.3	128.8	140.6	-164.8	0	0	0	0	109.6
264	A	28.4	Very low	31.3	Very low	82 Å²	82	148 Å²	148	68%	0.678	78%	0.781	S	S	*	*			trans	64.5	138.1	169.9	0	0	0	0	0	116.7
265	E	30.4	Very low	31	Very low	184 Å²	184	146.8 Å²	146.8	86%	0.86	79%	0.788	S	S	*	*			cis	-122.4	128.6	3.3	-66.2	159.6	-172.2	0	0	106.2
266	E	32.3	Very low	30.7	Very low	182 Å²	182	144.6 Å²	144.6	85%	0.85	79%	0.791	S	S	*	*				64.8	142.2	65.1	-157.9	159.5	-172.4	0	0	113.9
267	E	29.7	Very low	30.2	Very low	172 Å²	172	142.1 Å²	142.1	80%	0.804	79%	0.787	S	S	*	*			trans	63.3	80.5	-175.7	-54.8	-159.1	140.3	0	0	118.2
268	N	26.6	Very low	29.8	Very low	158 Å²	158	145.3 Å²	145.3	85%	0.845	79%	0.794	S	S	*	*				174.2	141.9	107.1	-96.5	-84.4	0	0	0	112.3
269	E	27.6	Very low	29.4	Very low	179 Å²	179	140.7 Å²	140.7	84%	0.836	79%	0.787	S	S	*	*			trans	-140.7	165.3	173.3	-132.4	-161.2	149.5	0	0	109.5
270	P	49.3	Very low	29.3	Very low	102 Å²	102	141 Å²	141	66%	0.662	80%	0.8	S	S	*	*				-109.5	-172.7	-91	38.6	-29.6	0	0	0	112.5
271	P	33.8	Very low	28.9	Very low	128 Å²	128	137.1 Å²	137.1	83%	0.831	80%	0.798	S	S	*	*				-147	157.8	114.6	37.9	-24.8	0	0	0	116.3
272	G	24.1	Very low	28.7	Very low	64 Å²	64	140.7 Å²	140.7	66%	0.66	81%	0.805	S	S	*	*				106.8	99.4	128.8	0	0	0	0	0	119.5
273	L	26.6	Very low	28.5	Very low	175 Å²	175	139.2 Å²	139.2	92%	0.916	81%	0.808	S	S	*	*			trans	55.1	137.6	143.5	-79.6	70.4	0	0	0	121
274	W	24.8	Very low	28.6	Very low	246 Å²	246	138.8 Å²	138.8	93%	0.932	81%	0.808	S	S	*	*			trans	-81	153.3	162.3	-53.7	-16.4	0	0	0	111.6
275	S	28.7	Very low	28.4	Very low	113 Å²	113	137.5 Å²	137.5	79%	0.79	80%	0.802	S	S	*	*				169.5	134.3	113.3	-77.2	0	0	0	0	115
276	A	25.8	Very low	28.3	Very low	104 Å²	104	135.3 Å²	135.3	86%	0.86	80%	0.802	S	S	*	*			trans	64.4	165	155.7	0	0	0	0	0	117.6
277	A	24	Very low	28.2	Very low	71 Å²	71	138 Å²	138	59%	0.587	80%	0.804	S	S	*	*			cis	-154.2	160.5	4.4	0	0	0	0	0	113.4
278	Y	28.1	Very low	28	Very low	238 Å²	238	132.7 Å²	132.7	93%	0.933	80%	0.796	S	S	*	*			trans	63.7	151.9	160.2	-58.6	-67.3	0	0	0	121.3
279	G	25.6	Very low	28.2	Very low	75 Å²	75	131.4 Å²	131.4	77%	0.773	80%	0.796	S	S	*	*			trans	154.3	13.6	141.9	0	0	0	0	0	123.8
280	V	25.4	Very low	28.1	Very low	148 Å²	148	129 Å²	129	90%	0.897	79%	0.789	S	S	*	*			trans	-3.7	131.5	168.1	-178	0	0	0	0	118.7
281	G	25.8	Very low	27	Very low	73 Å²	73	130.2 Å²	130.2	75%	0.753	79%	0.79	S	S	*	*			trans	-172.5	61.5	173.7	0	0	0	0	0	118.8
282	D	26.3	Very low	26.9	Very low	153 Å²	153	129 Å²	129	82%	0.818	78%	0.784	S	S	*	*			trans	-68.4	131	176.1	-75.4	-87.1	0	0	0	115.4
283	V	27.6	Very low	27	Very low	137 Å²	137	130.4 Å²	130.4	83%	0.83	78%	0.777	S	S	*	*			trans	-145.1	125.2	155.2	-175.5	0	0	0	0	110.5
284	P	30.2	Very low	27.2	Very low	130 Å²	130	126.2 Å²	126.2	84%	0.844	76%	0.762	S	S	*	*			trans	-89.8	160.1	-177.5	35.5	-36.3	0	0	0	114
285	G	24.4	Very low	27.3	Very low	55 Å²	55	119.2 Å²	119.2	57%	0.567	76%	0.757	S	S	*	*			trans	174.7	89.2	171.5	0	0	0	0	0	119.2
286	T	28.6	Very low	27.3	Very low	139 Å²	139	122.9 Å²	122.9	85%	0.853	76%	0.761	S	S	*	*			trans	19.5	116.3	145.2	58.8	0	0	0	0	120.2
287	W	29.4	Very low	27.3	Very low	238 Å²	238	123.9 Å²	123.9	90%	0.902	76%	0.757	S	S	*	*			trans	-133.7	140.3	154.2	-77.7	95.6	0	0	0	112.4
288	G	26	Very low	27.6	Very low	60 Å²	60	126.5 Å²	126.5	62%	0.619	77%	0.768	S	S	*	*			trans	-86.9	-166.9	-173.2	0	0	0	0	0	115.3
289	P	29.9	Very low	27.7	Very low	131 Å²	131	124.2 Å²	124.2	85%	0.851	77%	0.766	S	S	*	*			trans	-73	147.9	-163.2	28.6	-36.1	0	0	0	115.4	D291	P289-D291 PolarHBondContact O-N 3.18Å
290	D	26.9	Very low	27.8	Very low	130 Å²	130	124 Å²	124	70%	0.695	76%	0.763	S	S	*	*			trans	-67.9	117.1	174	-76.5	-84.4	0	0	0	112.9	S292	D290-S292 PolarHBondContact O-N 3.28Å
291	D	26	Very low	27.9	Very low	127 Å²	127	129.4 Å²	129.4	68%	0.679	77%	0.768	S	S	*	*			trans	-66.6	88.4	168	-99.9	-63.2	0	0	0	111	P289 D293 R906	P289-D291 PolarHBondContact O-N 3.18Å; D291-D293 PolarHBondContact O-N 3.36Å; D291-R906 IonicContact OD1-CZ 3.78Å; D291-R906 IonicContact OD1-NE 3.18Å; D291-R906 IonicContact OD1-NH2 3.81Å; D291-R906 PolarHBondContact OD1-NH2 2.82Å
292	S	30.8	Very low	28	Very low	102 Å²	102	129 Å²	129	71%	0.713	76%	0.763	S	S	*	*			trans	-93.3	73.3	168.6	-70.6	0	0	0	0	111.4	D290 S294	D290-S292 PolarHBondContact O-N 3.28Å; S292-S294 PolarHBondContact O-N 3.13Å
293	D	25.6	Very low	28.4	Very low	93 Å²	93	128 Å²	128	50%	0.497	77%	0.766	S	S	.	*			trans	-66.6	93.9	-174.1	-157.1	2.1	0	0	0	112.5	D291 R906	D291-D293 PolarHBondContact O-N 3.36Å; D293-R906 IonicContact OD1-CZ 3.9Å; D293-R906 IonicContact OD1-NH1 3.96Å; D293-R906 PolarHBondContact OD1-NH1 3.35Å; D293-R906 WeakPolarHBondContact OD2-CD 3.35Å; D293-R906 IonicContact OD2-CZ 3.65Å; D293-R906 IonicContact OD2-NE 3.72Å; D293-R906 PolarHBondContact OD2-NE 3.22Å; D293-R906 IonicContact OD2-NH1 3.79Å; D293-R906 PolarHBondContact OD2-NH1 3.31Å
294	S	30.9	Very low	28.3	Very low	87 Å²	87	129.1 Å²	129.1	61%	0.608	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-83.7	125.4	174	-64.6	0	0	0	0	109.9	S292 Q296	S292-S294 PolarHBondContact O-N 3.13Å; S294-Q296 PolarHBondContact O-N 3.11Å
295	A	27.6	Very low	28.6	Very low	99 Å²	99	132 Å²	132	82%	0.818	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-61	123.9	-171.5	0	0	0	0	0	113.1
296	Q	28.5	Very low	28.7	Very low	190 Å²	190	133.3 Å²	133.3	89%	0.888	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-91	124.7	161.5	-72.9	-176.9	-14.3	0	0	109.9	S294	S294-Q296 PolarHBondContact O-N 3.11Å
297	T	25.3	Very low	28.6	Very low	125 Å²	125	129.9 Å²	129.9	77%	0.767	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-96	121.5	163.7	45.9	0	0	0	0	109.1
298	P	30.5	Very low	28.5	Very low	126 Å²	126	127.6 Å²	127.6	82%	0.818	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-86.8	118.6	163.7	23.5	-12.1	0	0	0	109.6
299	E	31.1	Very low	28.5	Very low	191 Å²	191	127.9 Å²	127.9	89%	0.893	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-81.6	167.5	163.8	-65.4	-179.7	109.8	0	0	110.6
300	G	27.1	Very low	28.3	Very low	70 Å²	70	128.2 Å²	128.2	72%	0.722	78%	0.781	S	S	*	*			trans	108.1	87.1	164.3	0	0	0	0	0	115.8
301	W	28	Very low	28.3	Very low	261 Å²	261	129.3 Å²	129.3	99%	0.989	79%	0.786	S	S	*	*			trans	-130.5	111.6	148	-85.1	74.9	0	0	0	108
302	G	27.1	Very low	28.3	Very low	64 Å²	64	127.2 Å²	127.2	66%	0.66	79%	0.787	S	S	*	*			trans	-93.2	144.6	159.7	0	0	0	0	0	109.2
303	P	34.3	Very low	28.2	Very low	134 Å²	134	130.6 Å²	130.6	87%	0.87	80%	0.796	S	S	*	*			trans	-84.5	126.6	174.6	32.5	-31	0	0	0	110.8
304	D	26.8	Very low	28.3	Very low	160 Å²	160	128.7 Å²	128.7	86%	0.856	80%	0.799	S	S	*	*			trans	-115.4	163.5	163.6	-152.5	-16.6	0	0	0	109.8
305	Q	36	Very low	28.3	Very low	191 Å²	191	130 Å²	130	89%	0.893	81%	0.808	S	S	*	*			trans	-99.2	155.4	-153.2	-56.3	-177	20.5	0	0	115.2
306	G	26	Very low	28.5	Very low	82 Å²	82	134.7 Å²	134.7	85%	0.845	81%	0.813	S	S	*	*			trans	137	132.5	168.1	0	0	0	0	0	112.1
307	G	25.9	Very low	28.5	Very low	66 Å²	66	129.2 Å²	129.2	68%	0.68	81%	0.808	S	S	*	*			cis	166.8	171	-1.8	0	0	0	0	0	110.3
308	L	28.9	Very low	28.8	Very low	191 Å²	191	132 Å²	132	100%	1	81%	0.809	S	S	*	*			trans	71.8	126.8	-173.7	-46.2	165.2	0	0	0	113.7
309	G	24.8	Very low	29.2	Very low	65 Å²	65	132.2 Å²	132.2	67%	0.67	81%	0.811	S	S	*	*			cis	151.6	166.6	-10.3	0	0	0	0	0	112.6
310	V	26.5	Very low	29.1	Very low	139 Å²	139	131 Å²	131	84%	0.842	80%	0.803	S	S	*	*			trans	67.8	132.7	157.1	174.9	0	0	0	0	116.2
311	L	25.7	Very low	29.5	Very low	152 Å²	152	133.9 Å²	133.9	80%	0.796	80%	0.801	S	S	*	*			cis	-157.5	132.9	-11.5	-96.8	170.9	0	0	0	105.1
312	A	27.2	Very low	29.7	Very low	84 Å²	84	130.4 Å²	130.4	69%	0.694	80%	0.795	S	S	*	*				80.9	146.8	88.3	0	0	0	0	0	117.3
313	D	28.5	Very low	29.7	Very low	172 Å²	172	131 Å²	131	92%	0.92	80%	0.801	S	S	*	*			trans	67.1	140.7	179	-105.7	-98.8	0	0	0	119.2
314	G	27.9	Very low	29.5	Very low	53 Å²	53	136.4 Å²	136.4	55%	0.546	80%	0.804	S	S	.	*			cis	173.1	166.1	-7.3	0	0	0	0	0	115.3
315	S	31.6	Very low	29.6	Very low	114 Å²	114	137 Å²	137	80%	0.797	80%	0.802	S	S	*	*			trans	67.3	152.6	169.4	78.5	0	0	0	0	118.8
316	E	30.5	Very low	30	Very low	198 Å²	198	133.8 Å²	133.8	93%	0.925	80%	0.797	S	S	*	*			cis	-162	162.3	-21.7	-114.7	-178.1	156.1	0	0	110.2
317	G	28	Very low	30	Very low	76 Å²	76	134.2 Å²	134.2	78%	0.784	79%	0.793	S	S	*	*			trans	153.9	102.3	167	0	0	0	0	0	117.4
318	K	33.2	Very low	30	Very low	183 Å²	183	136 Å²	136	80%	0.796	80%	0.801	S	S	*	*			trans	-147.8	145.6	169.4	-101	-176.3	178.8	175.1	0	111.5
319	P	38.8	Very low	30	Very low	130 Å²	130	134 Å²	134	84%	0.844	79%	0.791	S	S	*	*			trans	-118.1	-170.1	138.5	-4.2	25.7	0	0	0	113.2
320	F	29	Very low	30.4	Very low	167 Å²	167	138.7 Å²	138.7	73%	0.732	80%	0.8	S	S	*	*			trans	-136.8	139.6	-154	-113.1	-123.1	0	0	0	115.7
321	L	35.7	Very low	30.5	Very low	129 Å²	129	139.4 Å²	139.4	68%	0.675	80%	0.798	S	S	*	*			trans	38.1	144.1	143.1	-57.2	-176.4	0	0	0	123.3
322	H	32.2	Very low	30.9	Very low	189 Å²	189	137 Å²	137	88%	0.875	80%	0.795	S	S	*	*				-171.7	133.8	105.2	-104.3	81.2	0	0	0	117.6
323	G	25.7	Very low	31.7	Very low	75 Å²	75	139.1 Å²	139.1	77%	0.773	80%	0.801	S	S	*	*			trans	68.6	169	151.4	0	0	0	0	0	120.6
324	R	29.9	Very low	32	Very low	248 Å²	248	142.9 Å²	142.9	94%	0.936	80%	0.803	S	S	*	*			cis	-175.7	137.3	-36	172.8	172.6	171.8	177.3	-2	108
325	E	30	Very low	31.8	Very low	173 Å²	173	145 Å²	145	81%	0.808	82%	0.815	S	S	*	*			trans	-76.9	172.1	-176.7	-48.8	-179.4	100.3	0	0	115.2
326	P	44.2	Very low	32.1	Very low	124 Å²	124	149 Å²	149	81%	0.805	82%	0.818	S	S	*	*				-147.9	136.1	88.5	37.8	-20	0	0	0	118.9
327	A	25.6	Very low	32.2	Very low	91 Å²	91	145.5 Å²	145.5	75%	0.752	81%	0.813	S	S	*	*			trans	30.4	131.5	137	0	0	0	0	0	124.2
328	A	26.5	Very low	32.5	Very low	103 Å²	103	146.5 Å²	146.5	85%	0.851	81%	0.814	S	S	*	*			trans	-153.9	144.6	134.7	0	0	0	0	0	111.3
329	N	29.6	Very low	32.4	Very low	149 Å²	149	142.3 Å²	142.3	80%	0.797	81%	0.813	S	S	*	*			trans	-94.8	148.3	-177.4	-59	-75.4	0	0	0	113
330	L	32.3	Very low	32	Very low	163 Å²	163	142.8 Å²	142.8	85%	0.853	81%	0.813	S	S	*	*				-166.7	91.1	129.7	-83.4	-164	0	0	0	107.9
331	L	28.8	Very low	32.1	Very low	154 Å²	154	138.8 Å²	138.8	81%	0.806	81%	0.811	S	S	*	*				67.2	103.5	95.5	-79.2	172.1	0	0	0	116
332	S	34.8	Very low	32	Very low	103 Å²	103	138.5 Å²	138.5	72%	0.72	82%	0.817	S	S	*	*			trans	-71.3	161	155.6	-43.3	0	0	0	0	111.2
333	P	42.7	Very low	32	Very low	128 Å²	128	137.2 Å²	137.2	83%	0.831	82%	0.816	S	S	*	*				-137.1	155.8	119.9	34.2	-22	0	0	0	113.8
334	W	35.8	Very low	32.4	Very low	251 Å²	251	138.5 Å²	138.5	95%	0.951	82%	0.819	S	S	*	*			trans	-79.9	142.5	178.7	-60.9	-35.8	0	0	0	113.3
335	A	23.1	Very low	32.9	Very low	97 Å²	97	130 Å²	130	80%	0.802	81%	0.808	S	S	*	*			trans	-154.4	131.1	147.6	0	0	0	0	0	109.9
336	F	37.7	Very low	33.5	Very low	197 Å²	197	133.2 Å²	133.2	86%	0.864	81%	0.813	S	S	*	*			trans	-76.8	161	162.5	-73.2	-92.8	0	0	0	109.4
337	P	32.3	Very low	33.5	Very low	126 Å²	126	132.3 Å²	132.3	82%	0.818	81%	0.807	S	S	*	*				-130.8	155.1	99.6	35.9	-28.4	0	0	0	113.5
338	A	34.2	Very low	34.5	Very low	96 Å²	96	134.5 Å²	134.5	79%	0.793	80%	0.802	S	S	*	*			trans	-80.2	129.8	178.6	0	0	0	0	0	111.8
339	A	30.8	Very low	36.2	Very low	96 Å²	96	130.2 Å²	130.2	79%	0.793	77%	0.765	S	S	*	*			trans	-152.2	58	169.5	0	0	0	0	0	110.6	A341	A339-A341 PolarHBondContact O-N 2.87Å; A339-A341 VanDerWaalsContact O-N 3.14Å
340	V	31.5	Very low	38.1	Very low	139 Å²	139	126.1 Å²	126.1	84%	0.842	75%	0.746	S	S	*	*			trans	-77.2	99.4	176.8	-179.3	0	0	0	0	109.5
341	A	30.1	Very low	40.4	Very low	83 Å²	83	118.4 Å²	118.4	69%	0.686	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-72.1	137.4	162	0	0	0	0	0	109.6	A339	A339-A341 PolarHBondContact O-N 2.87Å; A339-A341 VanDerWaalsContact O-N 3.14Å
342	P	33.8	Very low	42.6	Very low	124 Å²	124	117.6 Å²	117.6	81%	0.805	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-74.8	131.6	-179.6	29.7	-33.8	0	0	0	111.4
343	L	32.1	Very low	44.4	Very low	162 Å²	162	117.7 Å²	117.7	85%	0.848	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-79	136.3	171	-75.6	166	0	0	0	110.4
344	A	35.4	Very low	46	Very low	101 Å²	101	114.1 Å²	114.1	84%	0.835	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-80.2	145.5	-169.5	0	0	0	0	0	114
345	G	39.3	Very low	47.9	Very low	69 Å²	69	104.4 Å²	104.4	71%	0.711	65%	0.653	S	S	*	*			trans	-84.3	-177.8	165.6	0	0	0	0	0	112.8
346	R	42	Very low	50.4	Low	241 Å²	241	103.9 Å²	103.9	91%	0.909	63%	0.633	S	S	*	*	S	Bend	trans	-52	144	171	-108.2	-176.5	172.3	-174.3	-1.2	110.4	E348	R346-E348 VanDerWaalsContact C-N 3.31Å; R346-E348 PolarHBondContact O-N 3.44Å
347	P	44.5	Very low	52.4	Low	105 Å²	105	98 Å²	98	68%	0.682	61%	0.613	S	S	*	*			trans	-73.6	82.9	-175.7	30.4	-35.8	0	0	0	111.7	T349	P347-T349 PolarHBondContact O-N 2.99Å
348	E	47.7	Very low	54.7	Low	137 Å²	137	93.8 Å²	93.8	64%	0.64	58%	0.582	S	S	*	*			trans	-54.9	122	152.3	-74.9	-164.9	164.7	0	0	108.3	R346 T350 V357	R346-E348 VanDerWaalsContact C-N 3.31Å; R346-E348 PolarHBondContact O-N 3.44Å; E348-T350 VanDerWaalsContact C-N 3.28Å; E348-T350 PolarHBondContact O-N 3.28Å; E348-V357 HydrophobicContact CB-CG1 4.03Å; E348-V357 HydrophobicContact CG-CG1 4.29Å
349	T	62.3	Low	56.4	Low	14 Å²	14	93.9 Å²	93.9	9%	0.086	57%	0.574	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.3	77.5	-170.4	60.6	0	0	0	0	109.7	P347 F358 H360 R361	P347-T349 PolarHBondContact O-N 2.99Å; T349-F358 PolarHBondContact N-O 3.33Å; T349-F358 WeakPolarHBondContact O-CB 3.41Å; T349-F358 PolarHBondContact O-N 3.35Å; T349-F358 PolarHBondContact OG1-O 2.94Å; T349-H360 VanDerWaalsContact OG1-C 3.29Å; T349-H360 PolarHBondContact OG1-O 3.45Å; T349-R361 HydrophobicContact CG2-CB 4.48Å; T349-R361 HydrophobicContact CG2-CG 3.49Å; T349-R361 VanDerWaalsContact CG2-CG 3.49Å
350	T	68.7	Low	58.6	Low	62 Å²	62	95.2 Å²	95.2	38%	0.38	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-63.1	146.8	173.1	45.7	0	0	0	0	111.5	E348 K356 V357 L364	E348-T350 VanDerWaalsContact C-N 3.28Å; E348-T350 PolarHBondContact O-N 3.28Å; T350-K356 CarbonylContact C-O 3.51Å; T350-K356 WeakPolarHBondContact CA-O 3.43Å; T350-V357 HydrophobicContact CG2-CG2 3.85Å; T350-L364 WeakPolarHBondContact O-CD2 3.29Å
351	C	80	Confident	60.6	Low	1 Å²	1	97.4 Å²	97.4	1%	0.007	56%	0.557	C	S	.	*			trans	-91.9	116.7	167.2	-172.4	0	0	0	0	110.9	V353 C354 G355 K356 F358 L364 H371	C351-V353 PolarHBondContact O-N 2.86Å; C351-C354 PolarHBondContact O-N 3.22Å; C351-G355 WeakPolarHBondContact O-CA 3.42Å; C351-G355 PolarHBondContact O-N 2.86Å; C351-K356 PolarHBondContact N-O 2.92Å; C351-F358 HydrophobicContact CB-CE2 4.18Å; C351-L364 HydrophobicContact CB-CD1 3.45Å; C351-L364 VanDerWaalsContact CB-CD1 3.45Å; C351-H371 PolarHBondContact SG-CD2 3.16Å
352	D	75.3	Confident	62.6	Low	137 Å²	137	97.7 Å²	97.7	73%	0.733	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-19.5	-172.2	-39.2	-79.7	0	0	0	113.3
353	V	73.4	Confident	64.4	Low	105 Å²	105	98.8 Å²	98.8	64%	0.636	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-20	-179.8	-171.5	0	0	0	0	112.9	C351 H371	C351-V353 PolarHBondContact O-N 2.86Å; V353-H371 HydrophobicContact CB-CB 4.05Å; V353-H371 HydrophobicContact CG1-CB 3.96Å; V353-H371 HydrophobicContact CG2-CB 4.04Å
354	C	76.7	Confident	66.7	Low	53 Å²	53	91.6 Å²	91.6	36%	0.358	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.6	2.2	-172.4	74.1	0	0	0	0	116.3	C351 K356 H367 H371	C351-C354 PolarHBondContact O-N 3.22Å; C354-K356 PolarHBondContact O-N 2.79Å; C354-H367 PolarHBondContact SG-NE2 3.18Å; C354-H371 PolarHBondContact SG-NE2 3.2Å; C354-H371 VanDerWaalsContact SG-NE2 3.43Å
355	G	74.9	Confident	68.5	Low	47 Å²	47	88.9 Å²	88.9	49%	0.485	48%	0.482	S	S	.	.			trans	69.2	-4.1	179.3	0	0	0	0	0	116.1	C351 V357	C351-G355 WeakPolarHBondContact O-CA 3.42Å; C351-G355 PolarHBondContact O-N 2.86Å; G355-V357 PolarHBondContact O-N 3.12Å
356	K	75.4	Confident	70.2	Confident	86 Å²	86	92 Å²	92	37%	0.374	48%	0.476	S	S	.	.			trans	-64.8	123.4	-179.4	-70.8	-168.3	175.2	-164.8	0	110.9	T350 C351 C354 F358	T350-K356 CarbonylContact C-O 3.51Å; T350-K356 WeakPolarHBondContact CA-O 3.43Å; C351-K356 PolarHBondContact N-O 2.92Å; C354-K356 PolarHBondContact O-N 2.79Å; K356-F358 HydrophobicContact CB-CE2 3.62Å; K356-F358 HydrophobicContact CB-CZ 3.87Å; K356-F358 VanDerWaalsContact O-CD2 3.27Å; K356-F358 WeakPolarHBondContact O-CD2 3.42Å; K356-F358 VanDerWaalsContact O-CE2 3.27Å; K356-F358 WeakPolarHBondContact O-CE2 3.49Å
357	V	79.9	Confident	71.8	Confident	75 Å²	75	82 Å²	82	46%	0.455	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	131.4	175.5	173.7	0	0	0	0	110.3	E348 T350 G355	E348-V357 HydrophobicContact CB-CG1 4.03Å; E348-V357 HydrophobicContact CG-CG1 4.29Å; T350-V357 HydrophobicContact CG2-CG2 3.85Å; G355-V357 PolarHBondContact O-N 3.12Å
358	F	81.2	Confident	73.2	Confident	37 Å²	37	80.6 Å²	80.6	16%	0.162	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.8	173.2	-65.4	-85.2	0	0	0	112	T349 C351 K356 H360 R363 L364 H367	T349-F358 PolarHBondContact N-O 3.33Å; T349-F358 WeakPolarHBondContact O-CB 3.41Å; T349-F358 PolarHBondContact O-N 3.35Å; T349-F358 PolarHBondContact OG1-O 2.94Å; C351-F358 HydrophobicContact CB-CE2 4.18Å; K356-F358 HydrophobicContact CB-CE2 3.62Å; K356-F358 HydrophobicContact CB-CZ 3.87Å; K356-F358 VanDerWaalsContact O-CD2 3.27Å; K356-F358 WeakPolarHBondContact O-CD2 3.42Å; K356-F358 VanDerWaalsContact O-CE2 3.27Å; K356-F358 WeakPolarHBondContact O-CE2 3.49Å; F358-H360 PolarHBondContact O-N 2.96Å; F358-H360 VanDerWaalsContact O-N 3.16Å; F358-R363 HydrophobicContact CB-CB 4.25Å; F358-R363 HydrophobicContact CD1-CB 3.99Å; F358-R363 HydrophobicContact CG-CB 4.45Å; F358-L364 HydrophobicContact CB-CB 4.09Å; F358-L364 HydrophobicContact CD2-CB 4.16Å; F358-L364 HydrophobicContact CD2-CD1 3.83Å; F358-L364 HydrophobicContact CE2-CD1 4.26Å; F358-L364 HydrophobicContact CG-CB 4.28Å; F358-H367 HydrophobicContact CD2-CB 4.47Å; F358-H367 HydrophobicContact CE1-CB 3.95Å; F358-H367 HydrophobicContact CE2-CB 3.74Å; F358-H367 AromaticContact CE2-CD2 3.35Å; F358-H367 WeakPolarHBondContact CE2-CD2 3.48Å; F358-H367 AromaticContact CE2-CG 3.57Å; F358-H367 HydrophobicContact CZ-CB 3.45Å; F358-H367 VanDerWaalsContact CZ-CB 3.45Å; F358-H367 AromaticContact CZ-CD2 3.39Å; F358-H367 WeakPolarHBondContact CZ-CD2 3.42Å; F358-H367 AromaticContact CZ-CG 3.2Å; F358-H367 AromaticContact CZ-ND1 3.77Å
359	P	69.9	Low	74.5	Confident	98 Å²	98	81 Å²	81	64%	0.636	42%	0.419	S	S	*	.	S	Bend	trans	-67.7	-8.7	178.2	-23.9	34.2	0	0	0	116.3
360	H	76.1	Confident	74.8	Confident	123 Å²	123	86 Å²	86	57%	0.569	44%	0.438	S	S	*	.	S	Bend	trans	-154.3	142.2	-179.4	-84.5	-82.5	0	0	0	110.9	T349 F358 S362 R363 L364	T349-H360 VanDerWaalsContact OG1-C 3.29Å; T349-H360 PolarHBondContact OG1-O 3.45Å; F358-H360 PolarHBondContact O-N 2.96Å; F358-H360 VanDerWaalsContact O-N 3.16Å; H360-S362 PolarHBondContact O-N 3.38Å; H360-S362 VanDerWaalsContact O-N 3.14Å; H360-R363 PolarHBondContact O-N 3.45Å; H360-L364 PolarHBondContact O-N 2.79Å; H360-L364 VanDerWaalsContact O-N 3.11Å
361	R	72.8	Confident	74.9	Confident	186 Å²	186	86.3 Å²	86.3	70%	0.702	44%	0.435	S	S	*	.	H	α-helix	trans	-52.4	-36	173.5	-70.4	-164.1	119.8	129.5	4.3	112.9	T349 R363 L364 A365	T349-R361 HydrophobicContact CG2-CB 4.48Å; T349-R361 HydrophobicContact CG2-CG 3.49Å; T349-R361 VanDerWaalsContact CG2-CG 3.49Å; R361-R363 VanDerWaalsContact C-N 3.26Å; R361-R363 PolarHBondContact O-N 3Å; R361-L364 PolarHBondContact O-N 2.83Å; R361-A365 VanDerWaalsContact O-CB 3.31Å; R361-A365 WeakPolarHBondContact O-CB 3.43Å; R361-A365 PolarHBondContact O-N 3.22Å
362	S	72.6	Confident	74.3	Confident	88 Å²	88	88.4 Å²	88.4	62%	0.615	45%	0.452	S	S	*	.	H	α-helix	trans	-67.4	-21.7	178.3	-33.5	0	0	0	0	114.1	H360 K366	H360-S362 PolarHBondContact O-N 3.38Å; H360-S362 VanDerWaalsContact O-N 3.14Å; S362-K366 WeakPolarHBondContact O-CG 3.38Å
363	R	72.1	Confident	73.6	Confident	148 Å²	148	86.8 Å²	86.8	56%	0.558	46%	0.457	S	S	*	.	H	α-helix	trans	-85.9	-42.5	170.1	-73	-177.6	173.5	138.5	-1.3	110.9	F358 H360 R361 A365 K366 H367	F358-R363 HydrophobicContact CB-CB 4.25Å; F358-R363 HydrophobicContact CD1-CB 3.99Å; F358-R363 HydrophobicContact CG-CB 4.45Å; H360-R363 PolarHBondContact O-N 3.45Å; R361-R363 VanDerWaalsContact C-N 3.26Å; R361-R363 PolarHBondContact O-N 3Å; R363-A365 VanDerWaalsContact C-N 3.34Å; R363-A365 PolarHBondContact O-N 3.28Å; R363-K366 PolarHBondContact O-N 3.14Å; R363-H367 PolarHBondContact O-N 3.39Å
364	L	79.6	Confident	73	Confident	11 Å²	11	87 Å²	87	6%	0.058	46%	0.459	C	S	.	.	H	α-helix	trans	-56.1	-47	172.2	174.2	60.6	0	0	0	111.6	T350 C351 F358 H360 R361 K366 H367 Q368	T350-L364 WeakPolarHBondContact O-CD2 3.29Å; C351-L364 HydrophobicContact CB-CD1 3.45Å; C351-L364 VanDerWaalsContact CB-CD1 3.45Å; F358-L364 HydrophobicContact CB-CB 4.09Å; F358-L364 HydrophobicContact CD2-CB 4.16Å; F358-L364 HydrophobicContact CD2-CD1 3.83Å; F358-L364 HydrophobicContact CE2-CD1 4.26Å; F358-L364 HydrophobicContact CG-CB 4.28Å; H360-L364 PolarHBondContact O-N 2.79Å; H360-L364 VanDerWaalsContact O-N 3.11Å; R361-L364 PolarHBondContact O-N 2.83Å; L364-K366 VanDerWaalsContact C-N 3.26Å; L364-K366 PolarHBondContact O-N 3.29Å; L364-H367 CarbonylContact O-C 3.58Å; L364-H367 WeakPolarHBondContact O-CA 3.48Å; L364-H367 WeakPolarHBondContact O-CB 3.49Å; L364-H367 PolarHBondContact O-N 3.49Å; L364-Q368 HydrophobicContact CD1-CG 3.78Å; L364-Q368 HydrophobicContact CG-CG 4.11Å; L364-Q368 WeakPolarHBondContact O-CG 3.33Å; L364-Q368 PolarHBondContact O-N 3.08Å
365	A	73.6	Confident	72.9	Confident	44 Å²	44	90.5 Å²	90.5	36%	0.364	47%	0.468	S	S	.	.	H	α-helix	trans	-65.5	-25.5	-179.8	0	0	0	0	0	113.5	R361 R363 R369	R361-A365 VanDerWaalsContact O-CB 3.31Å; R361-A365 WeakPolarHBondContact O-CB 3.43Å; R361-A365 PolarHBondContact O-N 3.22Å; R363-A365 VanDerWaalsContact C-N 3.34Å; R363-A365 PolarHBondContact O-N 3.28Å; A365-R369 WeakPolarHBondContact O-CG 3.35Å; A365-R369 PolarHBondContact O-NE 3.29Å
366	K	75	Confident	72.8	Confident	134 Å²	134	92 Å²	92	58%	0.583	47%	0.469	S	S	*	.	H	α-helix	trans	-76.4	-34	167.6	-73.3	179.8	178.9	-172.9	0	111.7	S362 R363 L364 Y370 Y388	S362-K366 WeakPolarHBondContact O-CG 3.38Å; R363-K366 PolarHBondContact O-N 3.14Å; L364-K366 VanDerWaalsContact C-N 3.26Å; L364-K366 PolarHBondContact O-N 3.29Å; K366-Y370 WeakPolarHBondContact O-CD2 3.36Å; K366-Y388 PolarHBondContact O-OH 3.33Å
367	H	75.8	Confident	72.9	Confident	30 Å²	30	90.4 Å²	90.4	14%	0.139	46%	0.462	C	S	.	.	H	α-helix	trans	-73.6	-40.6	177.2	-171.8	61.1	0	0	0	113.3	C354 F358 R363 L364 R369 Y370 H371	C354-H367 PolarHBondContact SG-NE2 3.18Å; F358-H367 HydrophobicContact CD2-CB 4.47Å; F358-H367 HydrophobicContact CE1-CB 3.95Å; F358-H367 HydrophobicContact CE2-CB 3.74Å; F358-H367 AromaticContact CE2-CD2 3.35Å; F358-H367 WeakPolarHBondContact CE2-CD2 3.48Å; F358-H367 AromaticContact CE2-CG 3.57Å; F358-H367 HydrophobicContact CZ-CB 3.45Å; F358-H367 VanDerWaalsContact CZ-CB 3.45Å; F358-H367 AromaticContact CZ-CD2 3.39Å; F358-H367 WeakPolarHBondContact CZ-CD2 3.42Å; F358-H367 AromaticContact CZ-CG 3.2Å; F358-H367 AromaticContact CZ-ND1 3.77Å; R363-H367 PolarHBondContact O-N 3.39Å; L364-H367 CarbonylContact O-C 3.58Å; L364-H367 WeakPolarHBondContact O-CA 3.48Å; L364-H367 WeakPolarHBondContact O-CB 3.49Å; L364-H367 PolarHBondContact O-N 3.49Å; H367-R369 PolarHBondContact O-N 3.03Å; H367-R369 VanDerWaalsContact O-N 3.16Å; H367-Y370 WeakPolarHBondContact O-CB 3.44Å; H367-Y370 WeakPolarHBondContact O-CD2 3.36Å; H367-Y370 PolarHBondContact O-N 3.24Å; H367-H371 AromaticContact CD2-CD2 4Å; H367-H371 AromaticContact CD2-NE2 3.51Å; H367-H371 AromaticContact CE1-NE2 3.7Å; H367-H371 AromaticContact NE2-CD2 3.89Å; H367-H371 AromaticContact NE2-CE1 3.93Å; H367-H371 AromaticContact NE2-NE2 2.98Å; H367-H371 PolarHBondContact NE2-NE2 2.78Å
368	Q	74.6	Confident	72.9	Confident	76 Å²	76	88.9 Å²	88.9	36%	0.355	46%	0.461	S	S	.	.	H	α-helix	trans	-57.8	-28.7	177	-77.6	168.1	-37.2	0	0	112.6	L364 Y370 H371 A372	L364-Q368 HydrophobicContact CD1-CG 3.78Å; L364-Q368 HydrophobicContact CG-CG 4.11Å; L364-Q368 WeakPolarHBondContact O-CG 3.33Å; L364-Q368 PolarHBondContact O-N 3.08Å; Q368-Y370 PolarHBondContact O-N 3.28Å; Q368-H371 PolarHBondContact O-N 3.2Å; Q368-A372 PolarHBondContact O-N 2.72Å
369	R	74.9	Confident	73	Confident	146 Å²	146	87.2 Å²	87.2	55%	0.551	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-22.6	172.6	-64.7	172	-171.9	-145	-4.2	113.9	A365 H367 H371 V387	A365-R369 WeakPolarHBondContact O-CG 3.35Å; A365-R369 PolarHBondContact O-NE 3.29Å; H367-R369 PolarHBondContact O-N 3.03Å; H367-R369 VanDerWaalsContact O-N 3.16Å; R369-H371 VanDerWaalsContact C-N 3.32Å; R369-V387 HydrophobicContact CB-CG1 3.62Å; R369-V387 WeakPolarHBondContact O-CG1 3.29Å
370	Y	67.5	Low	73.3	Confident	120 Å²	120	91.4 Å²	91.4	47%	0.471	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-18.4	172.5	-67.6	-94.4	0	0	0	113.1	K366 H367 Q368 V387 Y388	K366-Y370 WeakPolarHBondContact O-CD2 3.36Å; H367-Y370 WeakPolarHBondContact O-CB 3.44Å; H367-Y370 WeakPolarHBondContact O-CD2 3.36Å; H367-Y370 PolarHBondContact O-N 3.24Å; Q368-Y370 PolarHBondContact O-N 3.28Å; Y370-V387 HydrophobicContact CD1-CG2 4.37Å; Y370-Y388 HydrophobicContact CD2-CE2 4.42Å; Y370-Y388 HydrophobicContact CE1-CE2 4.25Å; Y370-Y388 AromaticContact CE2-CE2 3.69Å; Y370-Y388 HydrophobicContact CE2-CE2 3.69Å; Y370-Y388 AromaticContact CZ-CE2 3.59Å
371	H	71.7	Confident	73.3	Confident	68 Å²	68	90.7 Å²	90.7	32%	0.315	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-13.9	175.4	-58.2	-64.5	0	0	0	112.8	C351 V353 C354 H367 Q368 R369 A373	C351-H371 PolarHBondContact SG-CD2 3.16Å; V353-H371 HydrophobicContact CB-CB 4.05Å; V353-H371 HydrophobicContact CG1-CB 3.96Å; V353-H371 HydrophobicContact CG2-CB 4.04Å; C354-H371 PolarHBondContact SG-NE2 3.2Å; C354-H371 VanDerWaalsContact SG-NE2 3.43Å; H367-H371 AromaticContact CD2-CD2 4Å; H367-H371 AromaticContact CD2-NE2 3.51Å; H367-H371 AromaticContact CE1-NE2 3.7Å; H367-H371 AromaticContact NE2-CD2 3.89Å; H367-H371 AromaticContact NE2-CE1 3.93Å; H367-H371 AromaticContact NE2-NE2 2.98Å; H367-H371 PolarHBondContact NE2-NE2 2.78Å; Q368-H371 PolarHBondContact O-N 3.2Å; R369-H371 VanDerWaalsContact C-N 3.32Å; H371-A373 PolarHBondContact O-N 3.15Å
372	A	68.3	Low	73.6	Confident	45 Å²	45	84 Å²	84	37%	0.372	44%	0.444	S	S	.	.			trans	-61.8	123.9	169.9	0	0	0	0	0	109.9	Q368 V374	Q368-A372 PolarHBondContact O-N 2.72Å; A372-V374 PolarHBondContact O-N 3.4Å
373	A	59.2	Low	73.9	Confident	102 Å²	102	83.1 Å²	83.1	84%	0.843	45%	0.448	S	S	*	.	S	Bend	trans	-62.2	-28.5	174.2	0	0	0	0	0	112	H371 K375	H371-A373 PolarHBondContact O-N 3.15Å; A373-K375 PolarHBondContact O-N 2.78Å
374	V	62.1	Low	74.2	Confident	111 Å²	111	81.2 Å²	81.2	67%	0.673	44%	0.444	S	S	*	.			trans	-71.7	107.1	172	-172.6	0	0	0	0	109.4	A372 P376	A372-V374 PolarHBondContact O-N 3.4Å; V374-P376 HydrophobicContact CG1-CG 4.3Å; V374-P376 WeakPolarHBondContact O-CD 3.42Å
375	K	74.5	Confident	74	Confident	125 Å²	125	81.9 Å²	81.9	54%	0.543	45%	0.453	S	S	.	.			trans	-98.1	94.9	170.4	-72.6	158.2	165.5	-174.6	0	107.9	A373 F377 G385 F386 V387	A373-K375 PolarHBondContact O-N 2.78Å; K375-F377 PolarHBondContact O-N 2.78Å; K375-G385 WeakPolarHBondContact CD-O 3.45Å; K375-F386 CarbonylContact C-O 3.47Å; K375-F386 VanDerWaalsContact C-O 3.31Å; K375-V387 HydrophobicContact CG-CG2 4.48Å
376	P	72.9	Confident	74.4	Confident	79 Å²	79	82 Å²	82	51%	0.513	45%	0.445	S	S	.	.			trans	-72	-8	-159.6	-18.1	32.7	0	0	0	115.2	V374 F386	V374-P376 HydrophobicContact CG1-CG 4.3Å; V374-P376 WeakPolarHBondContact O-CD 3.42Å; P376-F386 WeakPolarHBondContact CD-O 3.39Å
377	F	77.4	Confident	74.6	Confident	53 Å²	53	76.6 Å²	76.6	23%	0.232	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	89.8	-171.9	-50.6	-62.2	0	0	0	109.7	K375 F386 V387 Y388 R389 L392	K375-F377 PolarHBondContact O-N 2.78Å; F377-F386 PolarHBondContact N-O 3.15Å; F377-F386 PolarHBondContact O-N 3.49Å; F377-V387 WeakPolarHBondContact CE2-O 3.24Å; F377-Y388 VanDerWaalsContact CD2-C 3.45Å; F377-R389 HydrophobicContact CB-CG 4.37Å; F377-R389 HydrophobicContact CD1-CG 3.27Å; F377-R389 HydrophobicContact CD2-CG 4.03Å; F377-R389 HydrophobicContact CE1-CG 3.4Å; F377-R389 VanDerWaalsContact CE1-CG 3.4Å; F377-R389 HydrophobicContact CE2-CG 4.13Å; F377-R389 HydrophobicContact CG-CB 4.49Å; F377-R389 HydrophobicContact CG-CG 3.6Å; F377-R389 HydrophobicContact CZ-CG 3.83Å; F377-L392 HydrophobicContact CB-CB 4.21Å; F377-L392 HydrophobicContact CB-CD2 3.83Å
378	G	79.6	Confident	74.7	Confident	42 Å²	42	77.5 Å²	77.5	43%	0.433	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	145.9	175.2	0	0	0	0	0	112.4	L392	G378-L392 WeakPolarHBondContact O-CD1 3.45Å; G378-L392 VanDerWaalsContact O-CD2 3.25Å; G378-L392 WeakPolarHBondContact O-CD2 3.48Å
379	C	83.6	Confident	74.8	Confident	2 Å²	2	80.5 Å²	80.5	1%	0.014	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	113.7	163.6	175.6	0	0	0	0	108.7	E381 C382 G383 K384 F386 L392 H399	C379-E381 VanDerWaalsContact C-N 3.34Å; C379-E381 PolarHBondContact O-N 2.77Å; C379-C382 PolarHBondContact O-N 2.91Å; C379-C382 VanDerWaalsContact SG-SG 3.64Å; C379-G383 WeakPolarHBondContact O-CA 3.45Å; C379-G383 PolarHBondContact O-N 3.11Å; C379-K384 PolarHBondContact N-O 3.12Å; C379-F386 HydrophobicContact CB-CE2 4.23Å; C379-L392 VanDerWaalsContact CA-CD1 3.49Å; C379-L392 HydrophobicContact CB-CD1 3.47Å; C379-L392 VanDerWaalsContact CB-CD1 3.47Å; C379-H399 VanDerWaalsContact SG-CD2 3.57Å; C379-H399 PolarHBondContact SG-NE2 3.38Å
380	E	75.9	Confident	74.8	Confident	186 Å²	186	76.3 Å²	76.3	87%	0.869	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-39.8	-173.1	-65.5	170	-177.3	0	0	111.7	C382	E380-C382 PolarHBondContact O-N 3.14Å
381	E	75.7	Confident	75.2	Confident	108 Å²	108	74.3 Å²	74.3	51%	0.505	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-14	178	-59.8	163.3	106.2	0	0	114.5	C379 H399	C379-E381 VanDerWaalsContact C-N 3.34Å; C379-E381 PolarHBondContact O-N 2.77Å; E381-H399 WeakPolarHBondContact OE1-CB 3.36Å; E381-H399 IonicContact OE1-CG 2.81Å; E381-H399 IonicContact OE2-CD2 2.66Å; E381-H399 PolarHBondContact OE2-CD2 3.06Å; E381-H399 IonicContact OE2-CG 2.87Å
382	C	79.5	Confident	75.7	Confident	46 Å²	46	71.7 Å²	71.7	31%	0.311	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.4	14.8	179.6	71.5	0	0	0	0	117	C379 E380 K384 H395 H399	C379-C382 PolarHBondContact O-N 2.91Å; C379-C382 VanDerWaalsContact SG-SG 3.64Å; E380-C382 PolarHBondContact O-N 3.14Å; C382-K384 PolarHBondContact O-N 2.97Å; C382-K384 VanDerWaalsContact O-N 3.08Å; C382-K384 VanDerWaalsContact SG-CD 3.58Å; C382-H395 PolarHBondContact SG-NE2 2.91Å; C382-H399 PolarHBondContact SG-NE2 2.82Å; C382-H399 VanDerWaalsContact SG-NE2 3.4Å
383	G	77.6	Confident	76.1	Confident	69 Å²	69	71 Å²	71	71%	0.711	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	4.3	178.7	0	0	0	0	0	116.8	C379 G385	C379-G383 WeakPolarHBondContact O-CA 3.45Å; C379-G383 PolarHBondContact O-N 3.11Å; G383-G385 PolarHBondContact O-N 3.08Å
384	K	78.7	Confident	76.9	Confident	109 Å²	109	68.3 Å²	68.3	47%	0.474	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	113.2	-174.1	-70.7	173.6	-162.3	140.7	0	111.3	C379 C382 F386	C379-K384 PolarHBondContact N-O 3.12Å; C382-K384 PolarHBondContact O-N 2.97Å; C382-K384 VanDerWaalsContact O-N 3.08Å; C382-K384 VanDerWaalsContact SG-CD 3.58Å; K384-F386 HydrophobicContact CB-CE2 3.72Å; K384-F386 HydrophobicContact CB-CZ 4.05Å; K384-F386 WeakPolarHBondContact O-CD2 3.4Å; K384-F386 WeakPolarHBondContact O-CE2 3.4Å
385	G	76	Confident	77.6	Confident	24 Å²	24	64.1 Å²	64.1	25%	0.247	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	134.8	173.2	0	0	0	0	0	113.7	K375 G383	K375-G385 WeakPolarHBondContact CD-O 3.45Å; G383-G385 PolarHBondContact O-N 3.08Å
386	F	81.3	Confident	77.8	Confident	46 Å²	46	61.8 Å²	61.8	20%	0.202	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	154.8	175	-62.8	-89.8	0	0	0	112.1	K375 P376 F377 C379 K384 H391 L392 H395	K375-F386 CarbonylContact C-O 3.47Å; K375-F386 VanDerWaalsContact C-O 3.31Å; P376-F386 WeakPolarHBondContact CD-O 3.39Å; F377-F386 PolarHBondContact N-O 3.15Å; F377-F386 PolarHBondContact O-N 3.49Å; C379-F386 HydrophobicContact CB-CE2 4.23Å; K384-F386 HydrophobicContact CB-CE2 3.72Å; K384-F386 HydrophobicContact CB-CZ 4.05Å; K384-F386 WeakPolarHBondContact O-CD2 3.4Å; K384-F386 WeakPolarHBondContact O-CE2 3.4Å; F386-H391 HydrophobicContact CB-CB 4.19Å; F386-H391 HydrophobicContact CD1-CB 3.8Å; F386-H391 HydrophobicContact CG-CB 4.27Å; F386-L392 HydrophobicContact CB-CB 4.3Å; F386-L392 HydrophobicContact CD2-CB 4.11Å; F386-L392 HydrophobicContact CD2-CD1 4.11Å; F386-L392 HydrophobicContact CE2-CD1 4.43Å; F386-L392 HydrophobicContact CG-CB 4.38Å; F386-H395 HydrophobicContact CE1-CB 4.11Å; F386-H395 HydrophobicContact CE2-CB 3.94Å; F386-H395 AromaticContact CE2-CD2 3.28Å; F386-H395 WeakPolarHBondContact CE2-CD2 3.43Å; F386-H395 AromaticContact CE2-CG 3.77Å; F386-H395 HydrophobicContact CZ-CB 3.56Å; F386-H395 AromaticContact CZ-CD2 3.33Å; F386-H395 WeakPolarHBondContact CZ-CD2 3.48Å; F386-H395 AromaticContact CZ-CG 3.39Å
387	V	79.4	Confident	78.2	Confident	21 Å²	21	60.4 Å²	60.4	13%	0.127	32%	0.324	C	S	.	.	S	Bend	trans	-81.1	-20.8	-179.2	-176.2	0	0	0	0	112.3	R369 Y370 K375 F377	R369-V387 HydrophobicContact CB-CG1 3.62Å; R369-V387 WeakPolarHBondContact O-CG1 3.29Å; Y370-V387 HydrophobicContact CD1-CG2 4.37Å; K375-V387 HydrophobicContact CG-CG2 4.48Å; F377-V387 WeakPolarHBondContact CE2-O 3.24Å
388	Y	78.2	Confident	77.8	Confident	49 Å²	49	61.6 Å²	61.6	19%	0.192	34%	0.336	C	S	.	.	S	Bend	trans	-139.4	139.2	-177.7	-63	-84.8	0	0	0	111	K366 Y370 F377 S390 H391 L392	K366-Y388 PolarHBondContact O-OH 3.33Å; Y370-Y388 HydrophobicContact CD2-CE2 4.42Å; Y370-Y388 HydrophobicContact CE1-CE2 4.25Å; Y370-Y388 AromaticContact CE2-CE2 3.69Å; Y370-Y388 HydrophobicContact CE2-CE2 3.69Å; Y370-Y388 AromaticContact CZ-CE2 3.59Å; F377-Y388 VanDerWaalsContact CD2-C 3.45Å; Y388-S390 PolarHBondContact O-N 3.08Å; Y388-H391 PolarHBondContact O-N 2.99Å; Y388-L392 PolarHBondContact O-N 3.05Å
389	R	76.4	Confident	77.6	Confident	139 Å²	139	62.9 Å²	62.9	53%	0.525	33%	0.33	S	S	.	.	H	α-helix	trans	-57.3	-29.6	175.4	-67.8	-170.2	94.1	108.4	0.4	112.9	F377 L392 A393	F377-R389 HydrophobicContact CB-CG 4.37Å; F377-R389 HydrophobicContact CD1-CG 3.27Å; F377-R389 HydrophobicContact CD2-CG 4.03Å; F377-R389 HydrophobicContact CE1-CG 3.4Å; F377-R389 VanDerWaalsContact CE1-CG 3.4Å; F377-R389 HydrophobicContact CE2-CG 4.13Å; F377-R389 HydrophobicContact CG-CB 4.49Å; F377-R389 HydrophobicContact CG-CG 3.6Å; F377-R389 HydrophobicContact CZ-CG 3.83Å; R389-L392 PolarHBondContact O-N 3.44Å; R389-A393 WeakPolarHBondContact O-CB 2.92Å; R389-A393 PolarHBondContact O-N 3.39Å
390	S	75.8	Confident	77.1	Confident	58 Å²	58	66.6 Å²	66.6	41%	0.406	35%	0.353	S	S	.	.	H	α-helix	trans	-61.8	-40.9	173.2	51.8	0	0	0	0	112.8	Y388 I394	Y388-S390 PolarHBondContact O-N 3.08Å; S390-I394 WeakPolarHBondContact O-CB 3.2Å; S390-I394 WeakPolarHBondContact O-CD1 3.46Å; S390-I394 WeakPolarHBondContact O-CG1 3.06Å; S390-I394 PolarHBondContact O-N 2.85Å
391	H	76.1	Confident	76.9	Confident	79 Å²	79	59.3 Å²	59.3	37%	0.366	33%	0.329	S	S	.	.	H	α-helix	trans	-72.4	-34.5	177.8	-63.3	178.9	0	0	0	111.5	F386 Y388 H395	F386-H391 HydrophobicContact CB-CB 4.19Å; F386-H391 HydrophobicContact CD1-CB 3.8Å; F386-H391 HydrophobicContact CG-CB 4.27Å; Y388-H391 PolarHBondContact O-N 2.99Å; H391-H395 WeakPolarHBondContact O-CB 3.31Å; H391-H395 PolarHBondContact O-N 3.02Å
392	L	81.8	Confident	76.7	Confident	13 Å²	13	59 Å²	59	7%	0.068	33%	0.327	C	S	.	.	H	α-helix	trans	-62.3	-52.8	170.3	170.8	58.9	0	0	0	111.4	F377 G378 C379 F386 Y388 R389 I394 H395 Q396	F377-L392 HydrophobicContact CB-CB 4.21Å; F377-L392 HydrophobicContact CB-CD2 3.83Å; G378-L392 WeakPolarHBondContact O-CD1 3.45Å; G378-L392 VanDerWaalsContact O-CD2 3.25Å; G378-L392 WeakPolarHBondContact O-CD2 3.48Å; C379-L392 VanDerWaalsContact CA-CD1 3.49Å; C379-L392 HydrophobicContact CB-CD1 3.47Å; C379-L392 VanDerWaalsContact CB-CD1 3.47Å; F386-L392 HydrophobicContact CB-CB 4.3Å; F386-L392 HydrophobicContact CD2-CB 4.11Å; F386-L392 HydrophobicContact CD2-CD1 4.11Å; F386-L392 HydrophobicContact CE2-CD1 4.43Å; F386-L392 HydrophobicContact CG-CB 4.38Å; Y388-L392 PolarHBondContact O-N 3.05Å; R389-L392 PolarHBondContact O-N 3.44Å; L392-I394 VanDerWaalsContact C-N 3.31Å; L392-I394 PolarHBondContact O-N 3.28Å; L392-H395 CarbonylContact O-C 3.43Å; L392-H395 WeakPolarHBondContact O-CA 3.43Å; L392-H395 WeakPolarHBondContact O-CB 3.05Å; L392-H395 PolarHBondContact O-N 3.15Å; L392-Q396 HydrophobicContact CD1-CG 4.01Å; L392-Q396 HydrophobicContact CG-CG 4.49Å; L392-Q396 PolarHBondContact O-N 2.92Å
393	A	77.5	Confident	76.7	Confident	29 Å²	29	61.5 Å²	61.5	24%	0.24	33%	0.333	C	S	.	.	H	α-helix	trans	-60.5	-37.7	-179	0	0	0	0	0	112.9	R389 H395	R389-A393 WeakPolarHBondContact O-CB 2.92Å; R389-A393 PolarHBondContact O-N 3.39Å; A393-H395 VanDerWaalsContact C-N 3.3Å
394	I	74.9	Confident	76.7	Confident	47 Å²	47	61 Å²	61	24%	0.241	32%	0.316	C	S	.	.	H	α-helix	trans	-71.6	-26.8	174	-61.9	163.1	0	0	0	111.5	S390 L392 V415 Y416	S390-I394 WeakPolarHBondContact O-CB 3.2Å; S390-I394 WeakPolarHBondContact O-CD1 3.46Å; S390-I394 WeakPolarHBondContact O-CG1 3.06Å; S390-I394 PolarHBondContact O-N 2.85Å; L392-I394 VanDerWaalsContact C-N 3.31Å; L392-I394 PolarHBondContact O-N 3.28Å; I394-V415 HydrophobicContact CG2-CG1 4.46Å; I394-Y416 HydrophobicContact CG2-CD1 4.23Å; I394-Y416 HydrophobicContact CG2-CE1 3.49Å; I394-Y416 VanDerWaalsContact CG2-CE1 3.49Å; I394-Y416 HydrophobicContact CG2-CE2 4.01Å; I394-Y416 WeakPolarHBondContact CG2-OH 3.3Å
395	H	76.9	Confident	76.8	Confident	23 Å²	23	58.8 Å²	58.8	11%	0.106	31%	0.307	C	S	.	.	H	α-helix	trans	-77.2	-36.1	172.9	177.1	44.7	0	0	0	113.2	C382 F386 H391 L392 A393 R397 T398 H399	C382-H395 PolarHBondContact SG-NE2 2.91Å; F386-H395 HydrophobicContact CE1-CB 4.11Å; F386-H395 HydrophobicContact CE2-CB 3.94Å; F386-H395 AromaticContact CE2-CD2 3.28Å; F386-H395 WeakPolarHBondContact CE2-CD2 3.43Å; F386-H395 AromaticContact CE2-CG 3.77Å; F386-H395 HydrophobicContact CZ-CB 3.56Å; F386-H395 AromaticContact CZ-CD2 3.33Å; F386-H395 WeakPolarHBondContact CZ-CD2 3.48Å; F386-H395 AromaticContact CZ-CG 3.39Å; H391-H395 WeakPolarHBondContact O-CB 3.31Å; H391-H395 PolarHBondContact O-N 3.02Å; L392-H395 CarbonylContact O-C 3.43Å; L392-H395 WeakPolarHBondContact O-CA 3.43Å; L392-H395 WeakPolarHBondContact O-CB 3.05Å; L392-H395 PolarHBondContact O-N 3.15Å; A393-H395 VanDerWaalsContact C-N 3.3Å; H395-R397 PolarHBondContact O-N 3.16Å; H395-T398 PolarHBondContact CE1-OG1 3.25Å; H395-T398 PolarHBondContact ND1-OG1 3.49Å; H395-T398 WeakPolarHBondContact O-CA 3.19Å; H395-T398 WeakPolarHBondContact O-CB 3.41Å; H395-T398 PolarHBondContact O-N 2.73Å; H395-T398 PolarHBondContact O-OG1 2.67Å; H395-H399 AromaticContact CD2-NE2 4Å; H395-H399 AromaticContact CE1-CE1 3.84Å; H395-H399 AromaticContact CE1-NE2 3.45Å; H395-H399 PolarHBondContact CE1-NE2 3.29Å; H395-H399 AromaticContact NE2-CE1 3.89Å; H395-H399 AromaticContact NE2-NE2 3.2Å; H395-H399 PolarHBondContact NE2-NE2 2.8Å; H395-H399 VanDerWaalsContact NE2-NE2 3.2Å
396	Q	78.9	Confident	77.1	Confident	76 Å²	76	61.1 Å²	61.1	36%	0.355	32%	0.318	S	S	.	.	H	α-helix	trans	-58.2	-33	174.9	-73.8	167.5	-64.8	0	0	111.6	L392 T398 H399 T400	L392-Q396 HydrophobicContact CD1-CG 4.01Å; L392-Q396 HydrophobicContact CG-CG 4.49Å; L392-Q396 PolarHBondContact O-N 2.92Å; Q396-T398 PolarHBondContact O-N 3.2Å; Q396-H399 PolarHBondContact O-N 2.77Å; Q396-T400 PolarHBondContact O-N 3.47Å
397	R	80.3	Confident	77.3	Confident	50 Å²	50	59 Å²	59	19%	0.189	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-10.7	169	-62.7	178.5	-178.2	163.3	4	115.5	H395 T400 G401 E402 V415	H395-R397 PolarHBondContact O-N 3.16Å; R397-T400 WeakPolarHBondContact CA-OG1 3.34Å; R397-G401 PolarHBondContact O-N 2.81Å; R397-E402 HydrophobicContact CB-CB 4.21Å; R397-E402 HydrophobicContact CG-CB 4.12Å; R397-E402 IonicContact NE-OE2 3.79Å; R397-E402 PolarHBondContact O-N 3.14Å; R397-V415 HydrophobicContact CB-CG1 3.69Å
398	T	69.3	Low	77.4	Confident	78 Å²	78	62.6 Å²	62.6	48%	0.479	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-16	171.6	69	0	0	0	0	113.3	H395 Q396	H395-T398 PolarHBondContact CE1-OG1 3.25Å; H395-T398 PolarHBondContact ND1-OG1 3.49Å; H395-T398 WeakPolarHBondContact O-CA 3.19Å; H395-T398 WeakPolarHBondContact O-CB 3.41Å; H395-T398 PolarHBondContact O-N 2.73Å; H395-T398 PolarHBondContact O-OG1 2.67Å; Q396-T398 PolarHBondContact O-N 3.2Å
399	H	75.7	Confident	77.4	Confident	68 Å²	68	63.8 Å²	63.8	32%	0.315	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-48.4	173.1	-53.2	-57.5	0	0	0	111.1	C379 E381 C382 H395 Q396 G401	C379-H399 VanDerWaalsContact SG-CD2 3.57Å; C379-H399 PolarHBondContact SG-NE2 3.38Å; E381-H399 WeakPolarHBondContact OE1-CB 3.36Å; E381-H399 IonicContact OE1-CG 2.81Å; E381-H399 IonicContact OE2-CD2 2.66Å; E381-H399 PolarHBondContact OE2-CD2 3.06Å; E381-H399 IonicContact OE2-CG 2.87Å; C382-H399 PolarHBondContact SG-NE2 2.82Å; C382-H399 VanDerWaalsContact SG-NE2 3.4Å; H395-H399 AromaticContact CD2-NE2 4Å; H395-H399 AromaticContact CE1-CE1 3.84Å; H395-H399 AromaticContact CE1-NE2 3.45Å; H395-H399 PolarHBondContact CE1-NE2 3.29Å; H395-H399 AromaticContact NE2-CE1 3.89Å; H395-H399 AromaticContact NE2-NE2 3.2Å; H395-H399 PolarHBondContact NE2-NE2 2.8Å; H395-H399 VanDerWaalsContact NE2-NE2 3.2Å; Q396-H399 PolarHBondContact O-N 2.77Å; H399-G401 PolarHBondContact O-N 3.17Å
400	T	72.9	Confident	77.8	Confident	80 Å²	80	59.5 Å²	59.5	49%	0.491	33%	0.333	S	S	.	.	S	Bend	trans	-65.6	-8.3	173.5	69.8	0	0	0	0	113.6	Q396 R397 E402	Q396-T400 PolarHBondContact O-N 3.47Å; R397-T400 WeakPolarHBondContact CA-OG1 3.34Å; T400-E402 PolarHBondContact O-N 3.38Å; T400-E402 WeakPolarHBondContact OG1-CG 3.42Å
401	G	72.1	Confident	78	Confident	34 Å²	34	59.2 Å²	59.2	35%	0.351	34%	0.339	S	S	.	.			trans	70.4	-1.5	179	0	0	0	0	0	114.9	R397 H399 K403	R397-G401 PolarHBondContact O-N 2.81Å; H399-G401 PolarHBondContact O-N 3.17Å; G401-K403 WeakPolarHBondContact O-CD 3.5Å; G401-K403 WeakPolarHBondContact O-CE 3.44Å; G401-K403 WeakPolarHBondContact O-CG 3.34Å; G401-K403 PolarHBondContact O-N 3.41Å
402	E	71.8	Confident	78.1	Confident	102 Å²	102	61.4 Å²	61.4	48%	0.477	35%	0.348	S	S	.	.			trans	-54.7	120.7	-175.8	-83.4	-177.6	-164.9	0	0	112.9	R397 T400	R397-E402 HydrophobicContact CB-CB 4.21Å; R397-E402 HydrophobicContact CG-CB 4.12Å; R397-E402 IonicContact NE-OE2 3.79Å; R397-E402 PolarHBondContact O-N 3.14Å; T400-E402 PolarHBondContact O-N 3.38Å; T400-E402 WeakPolarHBondContact OG1-CG 3.42Å
403	K	78.7	Confident	78	Confident	98 Å²	98	68.3 Å²	68.3	43%	0.426	37%	0.373	S	S	.	.			trans	-125.3	86.1	175.9	-68	144.7	-170.1	156.6	0	108.9	G401 F405 R413 F414 V415	G401-K403 WeakPolarHBondContact O-CD 3.5Å; G401-K403 WeakPolarHBondContact O-CE 3.44Å; G401-K403 WeakPolarHBondContact O-CG 3.34Å; G401-K403 PolarHBondContact O-N 3.41Å; K403-F405 PolarHBondContact O-N 3.23Å; K403-R413 HydrophobicContact CB-CB 3.36Å; K403-R413 HydrophobicContact CD-CB 4.25Å; K403-R413 HydrophobicContact CG-CB 4.3Å; K403-R413 PolarHBondContact O-NE 3.2Å; K403-R413 PolarHBondContact O-NH2 2.94Å; K403-R413 VanDerWaalsContact O-NH2 3.12Å; K403-F414 CarbonylContact C-O 3.48Å; K403-F414 VanDerWaalsContact C-O 3.32Å; K403-F414 WeakPolarHBondContact CA-O 3.46Å; K403-V415 HydrophobicContact CG-CG2 3.94Å
404	P	77.1	Confident	78.2	Confident	57 Å²	57	69.1 Å²	69.1	37%	0.37	37%	0.371	S	S	.	.			trans	-69.2	-14.9	-174.5	-21.8	34.8	0	0	0	114.6	P406	P404-P406 WeakPolarHBondContact O-CD 3.47Å
405	F	81	Confident	78.4	Confident	63 Å²	63	68 Å²	68	28%	0.276	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	86	-171.5	-56	-72.1	0	0	0	111.4	K403 F414 V415 Y416 K417 L420	K403-F405 PolarHBondContact O-N 3.23Å; F405-F414 HydrophobicContact CB-CB 4.38Å; F405-F414 WeakPolarHBondContact CB-O 3.32Å; F405-F414 WeakPolarHBondContact CD2-O 3.37Å; F405-F414 PolarHBondContact N-O 3.09Å; F405-F414 VanDerWaalsContact N-O 3.07Å; F405-F414 PolarHBondContact O-N 3.31Å; F405-V415 WeakPolarHBondContact CE2-O 3.48Å; F405-Y416 VanDerWaalsContact CD2-C 3.43Å; F405-K417 HydrophobicContact CD1-CB 3.97Å; F405-K417 HydrophobicContact CD1-CG 4.34Å; F405-K417 HydrophobicContact CD2-CB 4.44Å; F405-K417 VanDerWaalsContact CD2-N 3.33Å; F405-K417 HydrophobicContact CE1-CB 3.86Å; F405-K417 HydrophobicContact CE1-CD 4.47Å; F405-K417 HydrophobicContact CE1-CG 4.37Å; F405-K417 HydrophobicContact CE2-CB 4.33Å; F405-K417 HydrophobicContact CG-CB 4.27Å; F405-K417 HydrophobicContact CZ-CB 4.05Å; F405-L420 HydrophobicContact CB-CB 4.18Å; F405-L420 HydrophobicContact CB-CD2 3.88Å
406	P	83.8	Confident	78.4	Confident	73 Å²	73	71.3 Å²	71.3	47%	0.474	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	148.1	173	29.7	-35.3	0	0	0	111.6	P404 R413 L420	P404-P406 WeakPolarHBondContact O-CD 3.47Å; P406-R413 HydrophobicContact CB-CG 4.24Å; P406-L420 WeakPolarHBondContact O-CD2 3.3Å
407	C	85.4	Confident	78.3	Confident	2 Å²	2	74.7 Å²	74.7	1%	0.014	39%	0.392	C	S	.	.			trans	-85.7	119.5	168.3	-161.9	0	0	0	0	109.3	D409 C410 G411 K412 F414 L420 H423 H427	C407-D409 PolarHBondContact O-N 3.11Å; C407-D409 PolarHBondContact SG-OD2 3.27Å; C407-C410 PolarHBondContact O-N 3.21Å; C407-G411 WeakPolarHBondContact O-CA 3.47Å; C407-G411 PolarHBondContact O-N 3.28Å; C407-K412 VanDerWaalsContact CB-O 3.26Å; C407-K412 WeakPolarHBondContact CB-O 3.3Å; C407-K412 PolarHBondContact N-O 2.63Å; C407-F414 HydrophobicContact CB-CE2 4.39Å; C407-L420 HydrophobicContact CB-CD1 3.72Å; C407-H423 PolarHBondContact SG-CD2 2.94Å; C407-H427 VanDerWaalsContact SG-CD2 3.52Å; C407-H427 PolarHBondContact SG-NE2 3.14Å; C407-H427 VanDerWaalsContact SG-NE2 3.44Å
408	P	79.9	Confident	78.1	Confident	97 Å²	97	75.5 Å²	75.5	63%	0.63	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-34.3	179.8	25.3	-32.3	0	0	0	110.9	C410	P408-C410 VanDerWaalsContact C-N 3.33Å; P408-C410 PolarHBondContact O-N 3.09Å
409	D	79.6	Confident	78.6	Confident	73 Å²	73	76 Å²	76	39%	0.39	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-5.6	-171.8	-17.8	-96.9	0	0	0	113.7	C407 R424 H427	C407-D409 PolarHBondContact O-N 3.11Å; C407-D409 PolarHBondContact SG-OD2 3.27Å; D409-R424 IonicContact OD1-CZ 2.73Å; D409-R424 IonicContact OD1-NE 3.91Å; D409-R424 IonicContact OD1-NH2 3.59Å; D409-R424 PolarHBondContact OD1-NH2 3.33Å; D409-R424 IonicContact OD2-CZ 3.56Å; D409-R424 IonicContact OD2-NE 3.2Å; D409-R424 PolarHBondContact OD2-NE 2.84Å; D409-R424 IonicContact OD2-NH2 3.75Å; D409-H427 HydrophobicContact CB-CB 4.02Å; D409-H427 IonicContact OD2-CD2 3.19Å
410	C	84.2	Confident	78.9	Confident	50 Å²	50	73.8 Å²	73.8	34%	0.338	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-165.2	14.7	177.9	71.1	0	0	0	0	116.8	C407 P408 K412 H423 H427	C407-C410 PolarHBondContact O-N 3.21Å; P408-C410 VanDerWaalsContact C-N 3.33Å; P408-C410 PolarHBondContact O-N 3.09Å; C410-K412 PolarHBondContact O-N 3.21Å; C410-H423 PolarHBondContact SG-NE2 2.79Å; C410-H427 PolarHBondContact SG-CE1 3.38Å; C410-H427 PolarHBondContact SG-NE2 2.96Å
411	G	79.1	Confident	79.3	Confident	51 Å²	51	73.5 Å²	73.5	53%	0.526	39%	0.39	S	S	.	.			trans	70	-20.8	-179.3	0	0	0	0	0	117	C407 R413	C407-G411 WeakPolarHBondContact O-CA 3.47Å; C407-G411 PolarHBondContact O-N 3.28Å; G411-R413 VanDerWaalsContact O-CG 3.32Å; G411-R413 WeakPolarHBondContact O-CG 3.44Å; G411-R413 PolarHBondContact O-N 2.88Å
412	K	80.1	Confident	79.6	Confident	125 Å²	125	73.5 Å²	73.5	54%	0.543	38%	0.384	S	S	.	.			trans	-56	120.6	-174.6	-70.8	170.6	-174.3	156.3	0	111.6	C407 C410 F414	C407-K412 VanDerWaalsContact CB-O 3.26Å; C407-K412 WeakPolarHBondContact CB-O 3.3Å; C407-K412 PolarHBondContact N-O 2.63Å; C410-K412 PolarHBondContact O-N 3.21Å; K412-F414 HydrophobicContact CB-CE2 4.02Å; K412-F414 HydrophobicContact CB-CZ 4.23Å; K412-F414 WeakPolarHBondContact O-CD2 3.4Å; K412-F414 WeakPolarHBondContact O-CE2 3.41Å
413	R	77.9	Confident	80	Confident	159 Å²	159	69.5 Å²	69.5	60%	0.6	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	138.3	-173.5	-52.8	178.4	61.5	162.7	0.8	112	K403 P406 G411	K403-R413 HydrophobicContact CB-CB 3.36Å; K403-R413 HydrophobicContact CD-CB 4.25Å; K403-R413 HydrophobicContact CG-CB 4.3Å; K403-R413 PolarHBondContact O-NE 3.2Å; K403-R413 PolarHBondContact O-NH2 2.94Å; K403-R413 VanDerWaalsContact O-NH2 3.12Å; P406-R413 HydrophobicContact CB-CG 4.24Å; G411-R413 VanDerWaalsContact O-CG 3.32Å; G411-R413 WeakPolarHBondContact O-CG 3.44Å; G411-R413 PolarHBondContact O-N 2.88Å
414	F	82	Confident	80.1	Confident	45 Å²	45	69.7 Å²	69.7	20%	0.197	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	149.6	-179.2	-62.7	-86.6	0	0	0	113	K403 F405 C407 K412 Y416 H419 L420 H423	K403-F414 CarbonylContact C-O 3.48Å; K403-F414 VanDerWaalsContact C-O 3.32Å; K403-F414 WeakPolarHBondContact CA-O 3.46Å; F405-F414 HydrophobicContact CB-CB 4.38Å; F405-F414 WeakPolarHBondContact CB-O 3.32Å; F405-F414 WeakPolarHBondContact CD2-O 3.37Å; F405-F414 PolarHBondContact N-O 3.09Å; F405-F414 VanDerWaalsContact N-O 3.07Å; F405-F414 PolarHBondContact O-N 3.31Å; C407-F414 HydrophobicContact CB-CE2 4.39Å; K412-F414 HydrophobicContact CB-CE2 4.02Å; K412-F414 HydrophobicContact CB-CZ 4.23Å; K412-F414 WeakPolarHBondContact O-CD2 3.4Å; K412-F414 WeakPolarHBondContact O-CE2 3.41Å; F414-Y416 VanDerWaalsContact C-N 3.34Å; F414-H419 HydrophobicContact CB-CB 4.27Å; F414-H419 HydrophobicContact CD1-CB 3.88Å; F414-H419 HydrophobicContact CG-CB 4.31Å; F414-L420 HydrophobicContact CB-CB 4.28Å; F414-L420 HydrophobicContact CD2-CB 3.99Å; F414-L420 HydrophobicContact CD2-CD1 4.08Å; F414-L420 HydrophobicContact CE2-CD1 4.38Å; F414-L420 HydrophobicContact CG-CB 4.3Å; F414-H423 HydrophobicContact CE1-CB 4.11Å; F414-H423 HydrophobicContact CE2-CB 3.84Å; F414-H423 AromaticContact CE2-CD2 3.24Å; F414-H423 WeakPolarHBondContact CE2-CD2 3.32Å; F414-H423 AromaticContact CE2-CG 3.59Å; F414-H423 AromaticContact CE2-NE2 4Å; F414-H423 HydrophobicContact CZ-CB 3.55Å; F414-H423 AromaticContact CZ-CD2 3.33Å; F414-H423 WeakPolarHBondContact CZ-CD2 3.3Å; F414-H423 AromaticContact CZ-CG 3.24Å; F414-H423 AromaticContact CZ-ND1 3.78Å; F414-H423 AromaticContact CZ-NE2 3.89Å
415	V	79.3	Confident	80.4	Confident	23 Å²	23	69.7 Å²	69.7	14%	0.139	36%	0.355	C	S	.	.	S	Bend	trans	-74.5	-25.3	174.3	-175	0	0	0	0	112	I394 R397 K403 F405	I394-V415 HydrophobicContact CG2-CG1 4.46Å; R397-V415 HydrophobicContact CB-CG1 3.69Å; K403-V415 HydrophobicContact CG-CG2 3.94Å; F405-V415 WeakPolarHBondContact CE2-O 3.48Å
416	Y	77.1	Confident	80.2	Confident	94 Å²	94	72.3 Å²	72.3	37%	0.369	37%	0.371	S	S	.	.	S	Bend	trans	-125	136.6	-177	-60.8	-107.2	0	0	0	111.5	I394 F405 F414 S418 H419 L420	I394-Y416 HydrophobicContact CG2-CD1 4.23Å; I394-Y416 HydrophobicContact CG2-CE1 3.49Å; I394-Y416 VanDerWaalsContact CG2-CE1 3.49Å; I394-Y416 HydrophobicContact CG2-CE2 4.01Å; I394-Y416 WeakPolarHBondContact CG2-OH 3.3Å; F405-Y416 VanDerWaalsContact CD2-C 3.43Å; F414-Y416 VanDerWaalsContact C-N 3.34Å; Y416-S418 VanDerWaalsContact C-N 3.27Å; Y416-S418 PolarHBondContact O-N 2.97Å; Y416-H419 AromaticContact CD2-CE1 3.6Å; Y416-H419 AromaticContact CD2-ND1 3.5Å; Y416-H419 WeakPolarHBondContact CD2-ND1 3.04Å; Y416-H419 AromaticContact CE2-CE1 3.93Å; Y416-H419 PolarHBondContact O-N 3.03Å; Y416-H419 VanDerWaalsContact O-N 3.13Å; Y416-L420 PolarHBondContact O-N 3.03Å; Y416-L420 VanDerWaalsContact O-N 3.12Å
417	K	76.9	Confident	79.9	Confident	146 Å²	146	72.4 Å²	72.4	64%	0.635	37%	0.365	S	S	*	.	H	α-helix	trans	-59.6	-36.2	171.5	-170.3	174.4	-179.9	178	0	112.1	F405 L420 V421	F405-K417 HydrophobicContact CD1-CB 3.97Å; F405-K417 HydrophobicContact CD1-CG 4.34Å; F405-K417 HydrophobicContact CD2-CB 4.44Å; F405-K417 VanDerWaalsContact CD2-N 3.33Å; F405-K417 HydrophobicContact CE1-CB 3.86Å; F405-K417 HydrophobicContact CE1-CD 4.47Å; F405-K417 HydrophobicContact CE1-CG 4.37Å; F405-K417 HydrophobicContact CE2-CB 4.33Å; F405-K417 HydrophobicContact CG-CB 4.27Å; F405-K417 HydrophobicContact CZ-CB 4.05Å; K417-L420 PolarHBondContact O-N 3.37Å; K417-V421 WeakPolarHBondContact O-CG2 3.36Å; K417-V421 PolarHBondContact O-N 2.95Å
418	S	76.3	Confident	79.4	Confident	68 Å²	68	75.8 Å²	75.8	48%	0.476	39%	0.386	S	S	.	.	H	α-helix	trans	-62.3	-41.2	174	56.1	0	0	0	0	112.5	Y416 V421 T422	Y416-S418 VanDerWaalsContact C-N 3.27Å; Y416-S418 PolarHBondContact O-N 2.97Å; S418-V421 PolarHBondContact O-N 3.26Å; S418-T422 WeakPolarHBondContact O-CG2 3.48Å; S418-T422 PolarHBondContact O-N 3.19Å
419	H	79.1	Confident	79.2	Confident	87 Å²	87	73.5 Å²	73.5	40%	0.403	38%	0.38	S	S	.	.	H	α-helix	trans	-64.8	-44.4	176.2	-69.7	-179.2	0	0	0	111.2	F414 Y416 V421 T422 H423	F414-H419 HydrophobicContact CB-CB 4.27Å; F414-H419 HydrophobicContact CD1-CB 3.88Å; F414-H419 HydrophobicContact CG-CB 4.31Å; Y416-H419 AromaticContact CD2-CE1 3.6Å; Y416-H419 AromaticContact CD2-ND1 3.5Å; Y416-H419 WeakPolarHBondContact CD2-ND1 3.04Å; Y416-H419 AromaticContact CE2-CE1 3.93Å; Y416-H419 PolarHBondContact O-N 3.03Å; Y416-H419 VanDerWaalsContact O-N 3.13Å; H419-V421 PolarHBondContact O-N 2.98Å; H419-T422 PolarHBondContact O-N 3.48Å; H419-T422 PolarHBondContact O-OG1 3.18Å; H419-H423 WeakPolarHBondContact O-CB 3.22Å; H419-H423 PolarHBondContact O-N 2.85Å
420	L	83.5	Confident	79	Confident	22 Å²	22	75 Å²	75	12%	0.115	39%	0.385	C	S	.	.	H	α-helix	trans	-55.1	-49.6	171.1	170.3	60.2	0	0	0	111.5	F405 P406 C407 F414 Y416 K417 T422 H423 R424	F405-L420 HydrophobicContact CB-CB 4.18Å; F405-L420 HydrophobicContact CB-CD2 3.88Å; P406-L420 WeakPolarHBondContact O-CD2 3.3Å; C407-L420 HydrophobicContact CB-CD1 3.72Å; F414-L420 HydrophobicContact CB-CB 4.28Å; F414-L420 HydrophobicContact CD2-CB 3.99Å; F414-L420 HydrophobicContact CD2-CD1 4.08Å; F414-L420 HydrophobicContact CE2-CD1 4.38Å; F414-L420 HydrophobicContact CG-CB 4.3Å; Y416-L420 PolarHBondContact O-N 3.03Å; Y416-L420 VanDerWaalsContact O-N 3.12Å; K417-L420 PolarHBondContact O-N 3.37Å; L420-T422 VanDerWaalsContact C-N 3.32Å; L420-T422 PolarHBondContact O-N 3.35Å; L420-H423 CarbonylContact O-C 3.5Å; L420-H423 WeakPolarHBondContact O-CA 3.33Å; L420-H423 WeakPolarHBondContact O-CB 3.24Å; L420-H423 PolarHBondContact O-N 3.16Å; L420-R424 HydrophobicContact CD1-CG 3.79Å; L420-R424 HydrophobicContact CG-CG 4.38Å; L420-R424 WeakPolarHBondContact O-CG 3.12Å; L420-R424 PolarHBondContact O-N 3.31Å
421	V	79.9	Confident	78.9	Confident	74 Å²	74	79.8 Å²	79.8	45%	0.448	40%	0.396	S	S	.	.	H	α-helix	trans	-59.3	-41	178.1	170.2	0	0	0	0	111.8	K417 S418 H419 H423	K417-V421 WeakPolarHBondContact O-CG2 3.36Å; K417-V421 PolarHBondContact O-N 2.95Å; S418-V421 PolarHBondContact O-N 3.26Å; H419-V421 PolarHBondContact O-N 2.98Å; V421-H423 VanDerWaalsContact C-N 3.25Å; V421-H423 PolarHBondContact O-N 2.87Å
422	T	78.3	Confident	78.8	Confident	34 Å²	34	79.1 Å²	79.1	21%	0.209	38%	0.382	C	S	.	.	H	α-helix	trans	-71.9	-17.2	173.7	68.4	0	0	0	0	114.2	S418 H419 L420 R444	S418-T422 WeakPolarHBondContact O-CG2 3.48Å; S418-T422 PolarHBondContact O-N 3.19Å; H419-T422 PolarHBondContact O-N 3.48Å; H419-T422 PolarHBondContact O-OG1 3.18Å; L420-T422 VanDerWaalsContact C-N 3.32Å; L420-T422 PolarHBondContact O-N 3.35Å; T422-R444 HydrophobicContact CG2-CG 4.47Å; T422-R444 PolarHBondContact OG1-NE 3.05Å; T422-R444 PolarHBondContact OG1-NH2 3.14Å
423	H	80.8	Confident	79	Confident	18 Å²	18	76.3 Å²	76.3	8%	0.083	37%	0.369	C	S	.	.	H	α-helix	trans	-87.3	-37.6	177.7	177.5	62.7	0	0	0	112.2	C407 C410 F414 H419 L420 V421 R425 I426 H427	C407-H423 PolarHBondContact SG-CD2 2.94Å; C410-H423 PolarHBondContact SG-NE2 2.79Å; F414-H423 HydrophobicContact CE1-CB 4.11Å; F414-H423 HydrophobicContact CE2-CB 3.84Å; F414-H423 AromaticContact CE2-CD2 3.24Å; F414-H423 WeakPolarHBondContact CE2-CD2 3.32Å; F414-H423 AromaticContact CE2-CG 3.59Å; F414-H423 AromaticContact CE2-NE2 4Å; F414-H423 HydrophobicContact CZ-CB 3.55Å; F414-H423 AromaticContact CZ-CD2 3.33Å; F414-H423 WeakPolarHBondContact CZ-CD2 3.3Å; F414-H423 AromaticContact CZ-CG 3.24Å; F414-H423 AromaticContact CZ-ND1 3.78Å; F414-H423 AromaticContact CZ-NE2 3.89Å; H419-H423 WeakPolarHBondContact O-CB 3.22Å; H419-H423 PolarHBondContact O-N 2.85Å; L420-H423 CarbonylContact O-C 3.5Å; L420-H423 WeakPolarHBondContact O-CA 3.33Å; L420-H423 WeakPolarHBondContact O-CB 3.24Å; L420-H423 PolarHBondContact O-N 3.16Å; V421-H423 VanDerWaalsContact C-N 3.25Å; V421-H423 PolarHBondContact O-N 2.87Å; H423-R425 PolarHBondContact O-N 3.4Å; H423-R425 VanDerWaalsContact O-N 3.16Å; H423-I426 VanDerWaalsContact O-CB 3.25Å; H423-I426 WeakPolarHBondContact O-CB 3.34Å; H423-I426 WeakPolarHBondContact O-CG1 3.26Å; H423-I426 PolarHBondContact O-N 2.74Å; H423-H427 AromaticContact CD2-NE2 3.6Å; H423-H427 AromaticContact CE1-CE1 3.91Å; H423-H427 AromaticContact CE1-NE2 3.64Å; H423-H427 AromaticContact NE2-CE1 3.67Å; H423-H427 AromaticContact NE2-NE2 3.06Å; H423-H427 PolarHBondContact NE2-NE2 3.39Å
424	R	80.6	Confident	79.2	Confident	103 Å²	103	76.8 Å²	76.8	39%	0.389	37%	0.37	S	S	.	.	H	α-helix	trans	-58.8	-27.3	174.5	-65.4	-169.1	74.4	-149.4	-2.6	112.9	D409 L420 I426 H427 T428	D409-R424 IonicContact OD1-CZ 2.73Å; D409-R424 IonicContact OD1-NE 3.91Å; D409-R424 IonicContact OD1-NH2 3.59Å; D409-R424 PolarHBondContact OD1-NH2 3.33Å; D409-R424 IonicContact OD2-CZ 3.56Å; D409-R424 IonicContact OD2-NE 3.2Å; D409-R424 PolarHBondContact OD2-NE 2.84Å; D409-R424 IonicContact OD2-NH2 3.75Å; L420-R424 HydrophobicContact CD1-CG 3.79Å; L420-R424 HydrophobicContact CG-CG 4.38Å; L420-R424 WeakPolarHBondContact O-CG 3.12Å; L420-R424 PolarHBondContact O-N 3.31Å; R424-I426 PolarHBondContact O-N 2.78Å; R424-I426 VanDerWaalsContact O-N 3.16Å; R424-H427 PolarHBondContact O-N 2.95Å; R424-T428 PolarHBondContact O-N 3.45Å; R424-T428 PolarHBondContact O-OG1 2.98Å
425	R	83.1	Confident	79.4	Confident	56 Å²	56	74.8 Å²	74.8	21%	0.211	36%	0.362	C	S	.	.	H	α-helix	trans	-60.5	-16	169.9	-65.5	-178.8	-176.5	176	0.9	114.9	H423 T428 G429 E430 G443	H423-R425 PolarHBondContact O-N 3.4Å; H423-R425 VanDerWaalsContact O-N 3.16Å; R425-T428 WeakPolarHBondContact CA-OG1 3.1Å; R425-G429 CarbonylContact O-C 3.48Å; R425-G429 PolarHBondContact O-N 3.47Å; R425-E430 HydrophobicContact CB-CB 4.22Å; R425-E430 HydrophobicContact CG-CB 4.1Å; R425-E430 PolarHBondContact O-N 2.94Å; R425-E430 VanDerWaalsContact O-N 3.1Å; R425-G443 WeakPolarHBondContact CD-O 3.35Å; R425-G443 PolarHBondContact NH1-O 2.93Å
426	I	77.1	Confident	79.5	Confident	119 Å²	119	78.1 Å²	78.1	61%	0.61	39%	0.392	S	S	*	.	H	α-helix	trans	-77.2	-43.6	172.5	-56.1	-176.9	0	0	0	109.6	H423 R424 G429	H423-I426 VanDerWaalsContact O-CB 3.25Å; H423-I426 WeakPolarHBondContact O-CB 3.34Å; H423-I426 WeakPolarHBondContact O-CG1 3.26Å; H423-I426 PolarHBondContact O-N 2.74Å; R424-I426 PolarHBondContact O-N 2.78Å; R424-I426 VanDerWaalsContact O-N 3.16Å; I426-G429 PolarHBondContact O-N 2.9Å
427	H	77.6	Confident	79.5	Confident	74 Å²	74	80.1 Å²	80.1	34%	0.343	40%	0.403	S	S	.	.	H	α-helix	trans	-74.4	-40.3	-179.6	-49.3	-49	0	0	0	112.2	C407 D409 C410 H423 R424 G429	C407-H427 VanDerWaalsContact SG-CD2 3.52Å; C407-H427 PolarHBondContact SG-NE2 3.14Å; C407-H427 VanDerWaalsContact SG-NE2 3.44Å; D409-H427 HydrophobicContact CB-CB 4.02Å; D409-H427 IonicContact OD2-CD2 3.19Å; C410-H427 PolarHBondContact SG-CE1 3.38Å; C410-H427 PolarHBondContact SG-NE2 2.96Å; H423-H427 AromaticContact CD2-NE2 3.6Å; H423-H427 AromaticContact CE1-CE1 3.91Å; H423-H427 AromaticContact CE1-NE2 3.64Å; H423-H427 AromaticContact NE2-CE1 3.67Å; H423-H427 AromaticContact NE2-NE2 3.06Å; H423-H427 PolarHBondContact NE2-NE2 3.39Å; R424-H427 PolarHBondContact O-N 2.95Å; H427-G429 PolarHBondContact O-N 2.66Å
428	T	74.4	Confident	79.9	Confident	74 Å²	74	76.4 Å²	76.4	45%	0.454	40%	0.395	S	S	.	.	S	Bend	trans	-78.3	-3.8	174.9	60.1	0	0	0	0	113.7	R424 R425 E430	R424-T428 PolarHBondContact O-N 3.45Å; R424-T428 PolarHBondContact O-OG1 2.98Å; R425-T428 WeakPolarHBondContact CA-OG1 3.1Å; T428-E430 PolarHBondContact O-N 3.09Å; T428-E430 VanDerWaalsContact O-N 3.07Å; T428-E430 WeakPolarHBondContact OG1-CG 3.5Å
429	G	77.4	Confident	80	Confident	49 Å²	49	75.7 Å²	75.7	51%	0.505	40%	0.398	S	S	.	.			trans	63.4	8.7	-176.2	0	0	0	0	0	115	R425 I426 H427 R431	R425-G429 CarbonylContact O-C 3.48Å; R425-G429 PolarHBondContact O-N 3.47Å; I426-G429 PolarHBondContact O-N 2.9Å; H427-G429 PolarHBondContact O-N 2.66Å; G429-R431 PolarHBondContact O-N 2.8Å
430	E	75.4	Confident	80.1	Confident	104 Å²	104	73 Å²	73	49%	0.486	39%	0.391	S	S	.	.			trans	-64.4	122.8	-172.4	-79.4	178.7	-179.4	0	0	112.7	R425 T428 P432	R425-E430 HydrophobicContact CB-CB 4.22Å; R425-E430 HydrophobicContact CG-CB 4.1Å; R425-E430 PolarHBondContact O-N 2.94Å; R425-E430 VanDerWaalsContact O-N 3.1Å; T428-E430 PolarHBondContact O-N 3.09Å; T428-E430 VanDerWaalsContact O-N 3.07Å; T428-E430 WeakPolarHBondContact OG1-CG 3.5Å; E430-P432 WeakPolarHBondContact O-CD 3.26Å
431	R	80.9	Confident	80	Confident	151 Å²	151	72.4 Å²	72.4	57%	0.57	39%	0.39	S	S	*	.			trans	-124.3	68.1	178.6	-67.4	166.8	77	173.4	3.2	110.8	G429 Y433 G441 F442	G429-R431 PolarHBondContact O-N 2.8Å; R431-Y433 VanDerWaalsContact C-N 3.28Å; R431-Y433 PolarHBondContact O-N 3.28Å; R431-G441 PolarHBondContact NE-O 3.28Å; R431-G441 PolarHBondContact NH2-O 2.79Å; R431-F442 CarbonylContact C-O 3.57Å; R431-F442 WeakPolarHBondContact CA-O 3.22Å
432	P	77.2	Confident	80.1	Confident	37 Å²	37	71 Å²	71	24%	0.24	38%	0.378	C	S	.	.			trans	-65.9	-28.1	-170.5	-20.8	34.3	0	0	0	113.8	E430 R434	E430-P432 WeakPolarHBondContact O-CD 3.26Å; P432-R434 PolarHBondContact O-N 3.33Å
433	Y	83.6	Confident	80.1	Confident	66 Å²	66	70.5 Å²	70.5	26%	0.259	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	91.5	-175.3	-51.8	-75.8	0	0	0	110.1	R431 G441 F442 R445	R431-Y433 VanDerWaalsContact C-N 3.28Å; R431-Y433 PolarHBondContact O-N 3.28Å; Y433-G441 CarbonylContact O-C 3.58Å; Y433-F442 WeakPolarHBondContact CD2-O 3.3Å; Y433-F442 PolarHBondContact N-O 3.42Å; Y433-F442 VanDerWaalsContact N-O 3.1Å; Y433-F442 PolarHBondContact O-N 3.32Å; Y433-R445 HydrophobicContact CD1-CB 3.79Å; Y433-R445 HydrophobicContact CD1-CG 4Å; Y433-R445 HydrophobicContact CD2-CB 4.36Å; Y433-R445 VanDerWaalsContact CD2-N 3.26Å; Y433-R445 HydrophobicContact CE1-CB 3.69Å; Y433-R445 HydrophobicContact CE1-CG 4.12Å; Y433-R445 HydrophobicContact CE2-CB 4.26Å; Y433-R445 VanDerWaalsContact CE2-N 3.33Å; Y433-R445 HydrophobicContact CG-CB 4.13Å
434	R	82.3	Confident	80.1	Confident	168 Å²	168	73.9 Å²	73.9	63%	0.634	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	142.7	178.6	-63.7	-178.6	-176.5	154.9	2.5	112.6	P432	P432-R434 PolarHBondContact O-N 3.33Å
435	C	86.4	Confident	80.1	Confident	3 Å²	3	74.1 Å²	74.1	2%	0.02	39%	0.392	C	S	.	.			trans	-80.8	123.2	174.6	-171.3	0	0	0	0	111.4	F437 G439 A440 F442 L448 H451	C435-F437 PolarHBondContact O-N 3.45Å; C435-G439 VanDerWaalsContact O-CA 3.28Å; C435-G439 WeakPolarHBondContact O-CA 3.48Å; C435-G439 PolarHBondContact O-N 3.11Å; C435-A440 HydrophobicContact CB-CB 4.43Å; C435-A440 WeakPolarHBondContact CB-O 3.14Å; C435-A440 PolarHBondContact N-O 3.28Å; C435-F442 HydrophobicContact CB-CE2 4.46Å; C435-L448 HydrophobicContact CB-CD1 3.71Å; C435-H451 VanDerWaalsContact SG-CD2 3.54Å
436	A	81.4	Confident	80	Confident	94 Å²	94	74.9 Å²	74.9	78%	0.777	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-27.6	178	0	0	0	0	0	113.6
437	F	78.4	Confident	80.2	Confident	136 Å²	136	74.8 Å²	74.8	60%	0.596	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-23.1	-175.1	-61.4	-72.9	0	0	0	114.5	C435 H455	C435-F437 PolarHBondContact O-N 3.45Å; F437-H455 HydrophobicContact CB-CB 4.18Å; F437-H455 HydrophobicContact CD2-CB 3.98Å; F437-H455 HydrophobicContact CG-CB 4.06Å
438	C	83.3	Confident	80.5	Confident	68 Å²	68	72.1 Å²	72.1	46%	0.459	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.1	9.4	-176.2	68	0	0	0	0	115.4	A440 H451 H455	C438-A440 PolarHBondContact O-N 2.83Å; C438-H451 PolarHBondContact SG-NE2 3.38Å; C438-H455 VanDerWaalsContact SG-CE1 3.59Å; C438-H455 PolarHBondContact SG-NE2 3.36Å; C438-H455 VanDerWaalsContact SG-NE2 3.44Å
439	G	78.8	Confident	80.9	Confident	53 Å²	53	71.3 Å²	71.3	55%	0.546	38%	0.381	S	S	.	.			trans	72.3	-13	179.8	0	0	0	0	0	116.1	C435 G441	C435-G439 VanDerWaalsContact O-CA 3.28Å; C435-G439 WeakPolarHBondContact O-CA 3.48Å; C435-G439 PolarHBondContact O-N 3.11Å; G439-G441 PolarHBondContact O-N 2.93Å
440	A	82.7	Confident	81.1	Confident	30 Å²	30	70.7 Å²	70.7	25%	0.248	37%	0.368	C	S	.	.			trans	-55.4	120.8	-176.1	0	0	0	0	0	112.4	C435 C438 F442	C435-A440 HydrophobicContact CB-CB 4.43Å; C435-A440 WeakPolarHBondContact CB-O 3.14Å; C435-A440 PolarHBondContact N-O 3.28Å; C438-A440 PolarHBondContact O-N 2.83Å; A440-F442 HydrophobicContact CB-CE2 3.9Å; A440-F442 HydrophobicContact CB-CZ 4.08Å; A440-F442 WeakPolarHBondContact O-CD2 3.32Å; A440-F442 VanDerWaalsContact O-CE2 3.23Å; A440-F442 WeakPolarHBondContact O-CE2 3.47Å
441	G	80.4	Confident	81.4	Confident	9 Å²	9	67.6 Å²	67.6	9%	0.093	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	150	178	0	0	0	0	0	113.5	R431 Y433 G439	R431-G441 PolarHBondContact NE-O 3.28Å; R431-G441 PolarHBondContact NH2-O 2.79Å; Y433-G441 CarbonylContact O-C 3.58Å; G439-G441 PolarHBondContact O-N 2.93Å
442	F	83	Confident	81.4	Confident	46 Å²	46	63.3 Å²	63.3	20%	0.202	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	143.9	176.1	-59.5	-87	0	0	0	110.9	R431 Y433 C435 A440 R444 L448 H451	R431-F442 CarbonylContact C-O 3.57Å; R431-F442 WeakPolarHBondContact CA-O 3.22Å; Y433-F442 WeakPolarHBondContact CD2-O 3.3Å; Y433-F442 PolarHBondContact N-O 3.42Å; Y433-F442 VanDerWaalsContact N-O 3.1Å; Y433-F442 PolarHBondContact O-N 3.32Å; C435-F442 HydrophobicContact CB-CE2 4.46Å; A440-F442 HydrophobicContact CB-CE2 3.9Å; A440-F442 HydrophobicContact CB-CZ 4.08Å; A440-F442 WeakPolarHBondContact O-CD2 3.32Å; A440-F442 VanDerWaalsContact O-CE2 3.23Å; A440-F442 WeakPolarHBondContact O-CE2 3.47Å; F442-R444 VanDerWaalsContact C-N 3.32Å; F442-L448 HydrophobicContact CB-CB 4.38Å; F442-L448 HydrophobicContact CD2-CB 3.98Å; F442-L448 HydrophobicContact CD2-CD1 4.07Å; F442-L448 HydrophobicContact CE2-CD1 4.3Å; F442-L448 HydrophobicContact CG-CB 4.39Å; F442-H451 HydrophobicContact CE1-CB 4.21Å; F442-H451 HydrophobicContact CE2-CB 3.93Å; F442-H451 AromaticContact CE2-CD2 3.39Å; F442-H451 WeakPolarHBondContact CE2-CD2 3.27Å; F442-H451 AromaticContact CE2-CG 3.67Å; F442-H451 HydrophobicContact CZ-CB 3.61Å; F442-H451 AromaticContact CZ-CD2 3.53Å; F442-H451 AromaticContact CZ-CG 3.34Å; F442-H451 AromaticContact CZ-ND1 3.85Å
443	G	78.3	Confident	81.8	Confident	22 Å²	22	64 Å²	64	23%	0.227	34%	0.337	C	S	.	.	S	Bend	trans	-76.5	-14.9	177.9	0	0	0	0	0	114.7	R425	R425-G443 WeakPolarHBondContact CD-O 3.35Å; R425-G443 PolarHBondContact NH1-O 2.93Å
444	R	79.9	Confident	81.5	Confident	89 Å²	89	65.1 Å²	65.1	34%	0.336	35%	0.351	S	S	.	.	S	Bend	trans	-133.7	140.6	178.7	-62.7	-177.4	175.5	158.3	-7.3	111.3	T422 F442 S446 Y447 L448	T422-R444 HydrophobicContact CG2-CG 4.47Å; T422-R444 PolarHBondContact OG1-NE 3.05Å; T422-R444 PolarHBondContact OG1-NH2 3.14Å; F442-R444 VanDerWaalsContact C-N 3.32Å; R444-S446 VanDerWaalsContact C-N 3.34Å; R444-S446 PolarHBondContact O-N 3.32Å; R444-Y447 HydrophobicContact CB-CD2 3.79Å; R444-Y447 HydrophobicContact CB-CE2 4.11Å; R444-Y447 HydrophobicContact CB-CG 4.46Å; R444-Y447 HydrophobicContact CG-CD2 4.3Å; R444-Y447 HydrophobicContact CG-CE2 4.16Å; R444-Y447 PolarHBondContact NH1-OH 2.8Å; R444-Y447 PolarHBondContact O-N 3.47Å; R444-L448 PolarHBondContact O-N 2.93Å
445	R	80.8	Confident	81.3	Confident	109 Å²	109	60.8 Å²	60.8	41%	0.411	34%	0.338	S	S	.	.	H	α-helix	trans	-63.3	-36.4	-178.3	-166.6	175	179.2	-168.5	-6.6	113	D246 Y433 Y447 L448 V449	D246-R445 VanDerWaalsContact CG-CZ 3.49Å; D246-R445 IonicContact OD1-CZ 2.71Å; D246-R445 IonicContact OD1-NH1 2.8Å; D246-R445 PolarHBondContact OD1-NH1 3.01Å; D246-R445 IonicContact OD1-NH2 3.08Å; D246-R445 PolarHBondContact OD1-NH2 3.08Å; D246-R445 IonicContact OD2-CZ 3.62Å; D246-R445 IonicContact OD2-NH1 2.91Å; D246-R445 IonicContact OD2-NH2 3.33Å; D246-R445 PolarHBondContact OD2-NH2 3.39Å; Y433-R445 HydrophobicContact CD1-CB 3.79Å; Y433-R445 HydrophobicContact CD1-CG 4Å; Y433-R445 HydrophobicContact CD2-CB 4.36Å; Y433-R445 VanDerWaalsContact CD2-N 3.26Å; Y433-R445 HydrophobicContact CE1-CB 3.69Å; Y433-R445 HydrophobicContact CE1-CG 4.12Å; Y433-R445 HydrophobicContact CE2-CB 4.26Å; Y433-R445 VanDerWaalsContact CE2-N 3.33Å; Y433-R445 HydrophobicContact CG-CB 4.13Å; R445-Y447 VanDerWaalsContact C-N 3.31Å; R445-Y447 PolarHBondContact O-N 3.3Å; R445-L448 WeakPolarHBondContact O-CB 3.32Å; R445-L448 PolarHBondContact O-N 3.05Å; R445-V449 WeakPolarHBondContact O-CG2 3.27Å; R445-V449 PolarHBondContact O-N 3.26Å
446	S	80.4	Confident	80.8	Confident	71 Å²	71	64.1 Å²	64.1	50%	0.497	36%	0.358	S	S	.	.	H	α-helix	trans	-58.4	-40.9	176.3	49.7	0	0	0	0	112.6	R444 V449 T450	R444-S446 VanDerWaalsContact C-N 3.34Å; R444-S446 PolarHBondContact O-N 3.32Å; S446-V449 PolarHBondContact O-N 3.03Å; S446-T450 WeakPolarHBondContact O-CG2 3.49Å; S446-T450 PolarHBondContact O-N 2.99Å; S446-T450 PolarHBondContact O-OG1 3.46Å
447	Y	81.3	Confident	80.6	Confident	118 Å²	118	62.1 Å²	62.1	46%	0.463	35%	0.347	S	S	.	.	H	α-helix	trans	-66.2	-41.8	175.6	-61.2	-38.2	0	0	0	112	R444 R445 V449 T450 H451	R444-Y447 HydrophobicContact CB-CD2 3.79Å; R444-Y447 HydrophobicContact CB-CE2 4.11Å; R444-Y447 HydrophobicContact CB-CG 4.46Å; R444-Y447 HydrophobicContact CG-CD2 4.3Å; R444-Y447 HydrophobicContact CG-CE2 4.16Å; R444-Y447 PolarHBondContact NH1-OH 2.8Å; R444-Y447 PolarHBondContact O-N 3.47Å; R445-Y447 VanDerWaalsContact C-N 3.31Å; R445-Y447 PolarHBondContact O-N 3.3Å; Y447-V449 PolarHBondContact O-N 3.42Å; Y447-T450 WeakPolarHBondContact CA-OG1 3.42Å; Y447-T450 PolarHBondContact O-N 3.11Å; Y447-T450 PolarHBondContact O-OG1 3.31Å; Y447-H451 VanDerWaalsContact O-CB 3.32Å; Y447-H451 WeakPolarHBondContact O-CB 3.42Å; Y447-H451 PolarHBondContact O-N 3.01Å
448	L	84.6	Confident	80.6	Confident	18 Å²	18	59.7 Å²	59.7	9%	0.094	34%	0.337	C	S	.	.	H	α-helix	trans	-56.8	-47.5	172.1	170.8	61.2	0	0	0	111.3	C435 F442 R444 R445 T450 H451 Q452	C435-L448 HydrophobicContact CB-CD1 3.71Å; F442-L448 HydrophobicContact CB-CB 4.38Å; F442-L448 HydrophobicContact CD2-CB 3.98Å; F442-L448 HydrophobicContact CD2-CD1 4.07Å; F442-L448 HydrophobicContact CE2-CD1 4.3Å; F442-L448 HydrophobicContact CG-CB 4.39Å; R444-L448 PolarHBondContact O-N 2.93Å; R445-L448 WeakPolarHBondContact O-CB 3.32Å; R445-L448 PolarHBondContact O-N 3.05Å; L448-T450 PolarHBondContact O-N 2.84Å; L448-H451 CarbonylContact O-C 3.49Å; L448-H451 WeakPolarHBondContact O-CA 3.4Å; L448-H451 WeakPolarHBondContact O-CB 3.38Å; L448-H451 PolarHBondContact O-N 2.87Å; L448-H451 VanDerWaalsContact O-N 3.08Å; L448-Q452 HydrophobicContact CD1-CG 3.96Å; L448-Q452 HydrophobicContact CG-CG 4.39Å; L448-Q452 WeakPolarHBondContact O-CG 3.5Å; L448-Q452 PolarHBondContact O-N 2.84Å
449	V	82.4	Confident	80.3	Confident	57 Å²	57	63.5 Å²	63.5	35%	0.345	34%	0.342	S	S	.	.	H	α-helix	trans	-63.2	-42	179	174.1	0	0	0	0	111.6	R445 S446 Y447 H451 Q452 R453	R445-V449 WeakPolarHBondContact O-CG2 3.27Å; R445-V449 PolarHBondContact O-N 3.26Å; S446-V449 PolarHBondContact O-N 3.03Å; Y447-V449 PolarHBondContact O-N 3.42Å; V449-H451 PolarHBondContact O-N 2.96Å; V449-Q452 PolarHBondContact O-N 2.97Å; V449-R453 PolarHBondContact O-N 2.96Å
450	T	81.8	Confident	80.2	Confident	35 Å²	35	63.9 Å²	63.9	22%	0.215	34%	0.335	C	S	.	.	H	α-helix	trans	-67.3	-23.2	174.4	57.5	0	0	0	0	113.7	S446 Y447 L448 Q472	S446-T450 WeakPolarHBondContact O-CG2 3.49Å; S446-T450 PolarHBondContact O-N 2.99Å; S446-T450 PolarHBondContact O-OG1 3.46Å; Y447-T450 WeakPolarHBondContact CA-OG1 3.42Å; Y447-T450 PolarHBondContact O-N 3.11Å; Y447-T450 PolarHBondContact O-OG1 3.31Å; L448-T450 PolarHBondContact O-N 2.84Å; T450-Q472 HydrophobicContact CG2-CG 3.99Å
451	H	81.7	Confident	80.1	Confident	39 Å²	39	66.1 Å²	66.1	18%	0.181	34%	0.337	C	S	.	.	H	α-helix	trans	-85.1	-33.6	175.3	171.8	70.2	0	0	0	112.4	C435 C438 F442 Y447 L448 V449 R453 T454 H455	C435-H451 VanDerWaalsContact SG-CD2 3.54Å; C438-H451 PolarHBondContact SG-NE2 3.38Å; F442-H451 HydrophobicContact CE1-CB 4.21Å; F442-H451 HydrophobicContact CE2-CB 3.93Å; F442-H451 AromaticContact CE2-CD2 3.39Å; F442-H451 WeakPolarHBondContact CE2-CD2 3.27Å; F442-H451 AromaticContact CE2-CG 3.67Å; F442-H451 HydrophobicContact CZ-CB 3.61Å; F442-H451 AromaticContact CZ-CD2 3.53Å; F442-H451 AromaticContact CZ-CG 3.34Å; F442-H451 AromaticContact CZ-ND1 3.85Å; Y447-H451 VanDerWaalsContact O-CB 3.32Å; Y447-H451 WeakPolarHBondContact O-CB 3.42Å; Y447-H451 PolarHBondContact O-N 3.01Å; L448-H451 CarbonylContact O-C 3.49Å; L448-H451 WeakPolarHBondContact O-CA 3.4Å; L448-H451 WeakPolarHBondContact O-CB 3.38Å; L448-H451 PolarHBondContact O-N 2.87Å; L448-H451 VanDerWaalsContact O-N 3.08Å; V449-H451 PolarHBondContact O-N 2.96Å; H451-R453 PolarHBondContact O-N 3.34Å; H451-T454 PolarHBondContact O-N 2.86Å; H451-T454 PolarHBondContact O-OG1 2.9Å; H451-H455 AromaticContact CD2-NE2 3.82Å; H451-H455 AromaticContact CE1-NE2 3.32Å; H451-H455 PolarHBondContact CE1-NE2 3.27Å; H451-H455 VanDerWaalsContact CE1-NE2 3.32Å; H451-H455 AromaticContact NE2-CD2 3.78Å; H451-H455 AromaticContact NE2-NE2 2.99Å; H451-H455 PolarHBondContact NE2-NE2 3.26Å; H451-H455 PolarHBondContact O-CD2 3.22Å
452	Q	81.3	Confident	79.8	Confident	62 Å²	62	69.5 Å²	69.5	29%	0.29	36%	0.358	S	S	.	.	H	α-helix	trans	-57.4	-33.7	172.6	-75.9	169.3	-48	0	0	111.4	L448 V449 T454 H455 T456	L448-Q452 HydrophobicContact CD1-CG 3.96Å; L448-Q452 HydrophobicContact CG-CG 4.39Å; L448-Q452 WeakPolarHBondContact O-CG 3.5Å; L448-Q452 PolarHBondContact O-N 2.84Å; V449-Q452 PolarHBondContact O-N 2.97Å; Q452-T454 PolarHBondContact O-N 2.8Å; Q452-H455 WeakPolarHBondContact O-CB 3.43Å; Q452-H455 PolarHBondContact O-N 2.93Å; Q452-T456 PolarHBondContact O-N 3.03Å; Q452-T456 VanDerWaalsContact O-N 3.11Å
453	R	84.4	Confident	79.4	Confident	50 Å²	50	67.4 Å²	67.4	19%	0.189	35%	0.349	C	S	.	.	H	α-helix	trans	-62.8	-17.5	171.9	-64.5	177.6	-176.7	176.1	0.4	115	V449 H451 H455 G457 E458 S471	V449-R453 PolarHBondContact O-N 2.96Å; H451-R453 PolarHBondContact O-N 3.34Å; R453-H455 VanDerWaalsContact C-N 3.32Å; R453-G457 WeakPolarHBondContact O-CA 3.44Å; R453-G457 PolarHBondContact O-N 2.78Å; R453-G457 VanDerWaalsContact O-N 3.1Å; R453-E458 HydrophobicContact CB-CB 4.42Å; R453-E458 HydrophobicContact CG-CB 4.21Å; R453-E458 PolarHBondContact O-N 3.11Å; R453-S471 WeakPolarHBondContact CD-O 3.41Å; R453-S471 PolarHBondContact NH1-O 3.2Å
454	T	78	Confident	79.1	Confident	91 Å²	91	71.1 Å²	71.1	56%	0.558	37%	0.369	S	S	*	.	H	α-helix	trans	-79.6	-17.9	171.3	70.6	0	0	0	0	112.5	H451 Q452	H451-T454 PolarHBondContact O-N 2.86Å; H451-T454 PolarHBondContact O-OG1 2.9Å; Q452-T454 PolarHBondContact O-N 2.8Å
455	H	78.8	Confident	78.5	Confident	77 Å²	77	73 Å²	73	36%	0.356	38%	0.381	S	S	.	.	H	α-helix	trans	-91.4	-38.7	174.4	-60.3	-77.9	0	0	0	111.9	F437 C438 H451 Q452 R453 G457	F437-H455 HydrophobicContact CB-CB 4.18Å; F437-H455 HydrophobicContact CD2-CB 3.98Å; F437-H455 HydrophobicContact CG-CB 4.06Å; C438-H455 VanDerWaalsContact SG-CE1 3.59Å; C438-H455 PolarHBondContact SG-NE2 3.36Å; C438-H455 VanDerWaalsContact SG-NE2 3.44Å; H451-H455 AromaticContact CD2-NE2 3.82Å; H451-H455 AromaticContact CE1-NE2 3.32Å; H451-H455 PolarHBondContact CE1-NE2 3.27Å; H451-H455 VanDerWaalsContact CE1-NE2 3.32Å; H451-H455 AromaticContact NE2-CD2 3.78Å; H451-H455 AromaticContact NE2-NE2 2.99Å; H451-H455 PolarHBondContact NE2-NE2 3.26Å; H451-H455 PolarHBondContact O-CD2 3.22Å; Q452-H455 WeakPolarHBondContact O-CB 3.43Å; Q452-H455 PolarHBondContact O-N 2.93Å; R453-H455 VanDerWaalsContact C-N 3.32Å; H455-G457 VanDerWaalsContact C-N 3.34Å
456	T	75.6	Confident	78.2	Confident	72 Å²	72	70.4 Å²	70.4	44%	0.442	38%	0.379	S	S	.	.	H	α-helix	trans	-82.5	-10.7	176.2	64.7	0	0	0	0	113.8	Q452 E458	Q452-T456 PolarHBondContact O-N 3.03Å; Q452-T456 VanDerWaalsContact O-N 3.11Å; T456-E458 WeakPolarHBondContact CB-OE1 3.35Å; T456-E458 PolarHBondContact O-N 3.08Å; T456-E458 WeakPolarHBondContact OG1-CG 3.49Å; T456-E458 PolarHBondContact OG1-OE1 3.31Å
457	G	77.3	Confident	77.5	Confident	52 Å²	52	69.6 Å²	69.6	54%	0.536	38%	0.383	S	S	.	.			trans	70.1	3.5	-176.5	0	0	0	0	0	114.4	R453 H455 R459	R453-G457 WeakPolarHBondContact O-CA 3.44Å; R453-G457 PolarHBondContact O-N 2.78Å; R453-G457 VanDerWaalsContact O-N 3.1Å; H455-G457 VanDerWaalsContact C-N 3.34Å; G457-R459 PolarHBondContact O-N 3.28Å
458	E	77.2	Confident	77	Confident	85 Å²	85	71.9 Å²	71.9	40%	0.397	39%	0.39	S	S	.	.			trans	-60.4	128.6	-176.6	-79.7	166	-124.1	0	0	112.5	R453 T456 P460	R453-E458 HydrophobicContact CB-CB 4.42Å; R453-E458 HydrophobicContact CG-CB 4.21Å; R453-E458 PolarHBondContact O-N 3.11Å; T456-E458 WeakPolarHBondContact CB-OE1 3.35Å; T456-E458 PolarHBondContact O-N 3.08Å; T456-E458 WeakPolarHBondContact OG1-CG 3.49Å; T456-E458 PolarHBondContact OG1-OE1 3.31Å; E458-P460 HydrophobicContact CB-CG 4.45Å
459	R	78.1	Confident	76.5	Confident	149 Å²	149	72.7 Å²	72.7	56%	0.562	40%	0.397	S	S	*	.			trans	-126.2	73.9	177.8	-67.4	163.6	76	160.9	2.7	109.4	G457 Y461 S469 F470	G457-R459 PolarHBondContact O-N 3.28Å; R459-Y461 PolarHBondContact O-N 3.38Å; R459-Y461 VanDerWaalsContact O-N 3.09Å; R459-S469 PolarHBondContact NE-O 3.1Å; R459-S469 PolarHBondContact NH2-O 3.21Å; R459-S469 VanDerWaalsContact O-CB 3.31Å; R459-S469 WeakPolarHBondContact O-CB 3.28Å; R459-F470 CarbonylContact C-O 3.31Å; R459-F470 VanDerWaalsContact CA-O 3.27Å; R459-F470 WeakPolarHBondContact CA-O 3.43Å
460	P	76.9	Confident	76.4	Confident	61 Å²	61	72 Å²	72	40%	0.396	39%	0.39	S	S	.	.			trans	-70.7	-4.9	-169	-20.1	35	0	0	0	115.4	E458 P462	E458-P460 HydrophobicContact CB-CG 4.45Å; P460-P462 WeakPolarHBondContact O-CD 3.19Å
461	Y	79.8	Confident	76.1	Confident	76 Å²	76	72 Å²	72	30%	0.298	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	82.2	-174.9	-54.8	-69.4	0	0	0	111.1	R459 S469 F470 S473	R459-Y461 PolarHBondContact O-N 3.38Å; R459-Y461 VanDerWaalsContact O-N 3.09Å; Y461-S469 CarbonylContact O-C 3.59Å; Y461-S469 WeakPolarHBondContact O-CA 3.25Å; Y461-F470 WeakPolarHBondContact CD2-O 3.25Å; Y461-F470 PolarHBondContact N-O 3.29Å; Y461-F470 VanDerWaalsContact N-O 3.09Å; Y461-F470 PolarHBondContact O-N 3.25Å; Y461-S473 VanDerWaalsContact CD2-N 3.28Å; Y461-S473 VanDerWaalsContact CE2-N 3.28Å
462	P	73.5	Confident	76.1	Confident	80 Å²	80	73.7 Å²	73.7	52%	0.519	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	139.6	173.4	28.9	-34.6	0	0	0	111.6	P460	P460-P462 WeakPolarHBondContact O-CD 3.19Å
463	C	75.7	Confident	75.9	Confident	2 Å²	2	74 Å²	74	1%	0.014	41%	0.408	C	S	.	.			trans	-83.3	121.9	171.6	-171.7	0	0	0	0	111	H465 C466 G467 R468 F470 L476	C463-H465 PolarHBondContact O-N 2.91Å; C463-C466 PolarHBondContact O-N 2.8Å; C463-G467 WeakPolarHBondContact O-CA 3.35Å; C463-G467 PolarHBondContact O-N 3.4Å; C463-R468 WeakPolarHBondContact CB-O 3.44Å; C463-R468 PolarHBondContact N-O 3.42Å; C463-F470 HydrophobicContact CB-CE2 4.41Å; C463-L476 HydrophobicContact CB-CD1 3.51Å
464	P	71.7	Confident	75.6	Confident	100 Å²	100	75 Å²	75	65%	0.649	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-20.8	-176	26.3	-34.8	0	0	0	113.8
465	H	67.4	Low	75.5	Confident	129 Å²	129	71.6 Å²	71.6	60%	0.597	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-15.4	-177.6	-58.7	-71.9	0	0	0	114.4	C463 H483	C463-H465 PolarHBondContact O-N 2.91Å; H465-H483 HydrophobicContact CB-CB 4.17Å
466	C	73.8	Confident	75.5	Confident	54 Å²	54	68.9 Å²	68.9	37%	0.365	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.4	4.8	-173.3	70.5	0	0	0	0	115.7	C463 R468 H479 H483	C463-C466 PolarHBondContact O-N 2.8Å; C466-R468 PolarHBondContact O-N 3.17Å; C466-H479 PolarHBondContact SG-NE2 3.19Å; C466-H483 PolarHBondContact SG-NE2 3.09Å
467	G	65.4	Low	75.5	Confident	55 Å²	55	68 Å²	68	57%	0.567	39%	0.392	S	S	*	.			trans	68	-8.6	-179.1	0	0	0	0	0	115.9	C463 S469	C463-G467 WeakPolarHBondContact O-CA 3.35Å; C463-G467 PolarHBondContact O-N 3.4Å; G467-S469 PolarHBondContact O-N 3.22Å
468	R	71.6	Confident	75.2	Confident	165 Å²	165	72.7 Å²	72.7	62%	0.623	39%	0.394	S	S	*	.			trans	-65.9	117.2	178.9	-67.7	-175.3	174.2	-165.8	-1.4	110.2	C463 C466 F470	C463-R468 WeakPolarHBondContact CB-O 3.44Å; C463-R468 PolarHBondContact N-O 3.42Å; C466-R468 PolarHBondContact O-N 3.17Å; R468-F470 HydrophobicContact CB-CE2 4.04Å; R468-F470 HydrophobicContact CB-CZ 4.23Å; R468-F470 WeakPolarHBondContact O-CD2 3.48Å; R468-F470 WeakPolarHBondContact O-CE2 3.49Å
469	S	74.7	Confident	75	Confident	35 Å²	35	69.9 Å²	69.9	25%	0.245	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	154.6	178.1	-49	0	0	0	0	113.4	R459 Y461 G467	R459-S469 PolarHBondContact NE-O 3.1Å; R459-S469 PolarHBondContact NH2-O 3.21Å; R459-S469 VanDerWaalsContact O-CB 3.31Å; R459-S469 WeakPolarHBondContact O-CB 3.28Å; Y461-S469 CarbonylContact O-C 3.59Å; Y461-S469 WeakPolarHBondContact O-CA 3.25Å; G467-S469 PolarHBondContact O-N 3.22Å
470	F	78.9	Confident	74.6	Confident	42 Å²	42	66.1 Å²	66.1	18%	0.184	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	150.2	-179.7	-62.6	-89.1	0	0	0	111.7	R459 Y461 C463 R468 A475 L476 H479	R459-F470 CarbonylContact C-O 3.31Å; R459-F470 VanDerWaalsContact CA-O 3.27Å; R459-F470 WeakPolarHBondContact CA-O 3.43Å; Y461-F470 WeakPolarHBondContact CD2-O 3.25Å; Y461-F470 PolarHBondContact N-O 3.29Å; Y461-F470 VanDerWaalsContact N-O 3.09Å; Y461-F470 PolarHBondContact O-N 3.25Å; C463-F470 HydrophobicContact CB-CE2 4.41Å; R468-F470 HydrophobicContact CB-CE2 4.04Å; R468-F470 HydrophobicContact CB-CZ 4.23Å; R468-F470 WeakPolarHBondContact O-CD2 3.48Å; R468-F470 WeakPolarHBondContact O-CE2 3.49Å; F470-A475 HydrophobicContact CB-CB 4.2Å; F470-A475 HydrophobicContact CD1-CB 3.98Å; F470-A475 HydrophobicContact CG-CB 4.34Å; F470-L476 HydrophobicContact CB-CB 4.27Å; F470-L476 HydrophobicContact CD2-CB 4.03Å; F470-L476 HydrophobicContact CD2-CD1 3.98Å; F470-L476 HydrophobicContact CE2-CD1 4.28Å; F470-L476 HydrophobicContact CG-CB 4.37Å; F470-H479 HydrophobicContact CE1-CB 4.19Å; F470-H479 HydrophobicContact CE2-CB 3.7Å; F470-H479 AromaticContact CE2-CD2 3.38Å; F470-H479 WeakPolarHBondContact CE2-CD2 3.28Å; F470-H479 AromaticContact CE2-CG 3.63Å; F470-H479 HydrophobicContact CZ-CB 3.5Å; F470-H479 AromaticContact CZ-CD2 3.48Å; F470-H479 VanDerWaalsContact CZ-CD2 3.48Å; F470-H479 WeakPolarHBondContact CZ-CD2 3.41Å; F470-H479 AromaticContact CZ-CG 3.34Å
471	S	76.3	Confident	74.3	Confident	37 Å²	37	64.4 Å²	64.4	26%	0.259	36%	0.361	S	S	.	.	S	Bend	trans	-78.3	-19.5	178	52.4	0	0	0	0	113.5	R453	R453-S471 WeakPolarHBondContact CD-O 3.41Å; R453-S471 PolarHBondContact NH1-O 3.2Å
472	Q	80.7	Confident	73.6	Confident	73 Å²	73	63.8 Å²	63.8	34%	0.341	37%	0.365	S	S	.	.	S	Bend	trans	-130.7	141.4	178.4	-55.7	-177.5	12.9	0	0	111	T450 S474 A475 L476	T450-Q472 HydrophobicContact CG2-CG 3.99Å; Q472-S474 VanDerWaalsContact C-N 3.34Å; Q472-S474 PolarHBondContact O-N 3.17Å; Q472-S474 PolarHBondContact OE1-OG 3.29Å; Q472-A475 HydrophobicContact CB-CB 4.38Å; Q472-A475 WeakPolarHBondContact O-CB 3.34Å; Q472-A475 PolarHBondContact O-N 2.88Å; Q472-A475 VanDerWaalsContact O-N 3.17Å; Q472-L476 PolarHBondContact O-N 3.22Å; Q472-L476 VanDerWaalsContact O-N 3.16Å
473	S	78	Confident	73.2	Confident	68 Å²	68	63.3 Å²	63.3	48%	0.476	36%	0.355	S	S	.	.	H	α-helix	trans	-67.2	-32.4	179.5	50	0	0	0	0	112.7	Y461 A475 L476 A477	Y461-S473 VanDerWaalsContact CD2-N 3.28Å; Y461-S473 VanDerWaalsContact CE2-N 3.28Å; S473-A475 VanDerWaalsContact C-N 3.3Å; S473-A475 PolarHBondContact O-N 2.87Å; S473-L476 PolarHBondContact O-N 2.89Å; S473-A477 WeakPolarHBondContact O-CB 3.49Å; S473-A477 PolarHBondContact O-N 2.94Å
474	S	77.6	Confident	72.7	Confident	71 Å²	71	67.2 Å²	67.2	50%	0.497	38%	0.379	S	S	.	.	H	α-helix	trans	-59.6	-38.3	170.8	52.1	0	0	0	0	112.6	Q472 R478	Q472-S474 VanDerWaalsContact C-N 3.34Å; Q472-S474 PolarHBondContact O-N 3.17Å; Q472-S474 PolarHBondContact OE1-OG 3.29Å; S474-R478 WeakPolarHBondContact O-CB 3.27Å; S474-R478 PolarHBondContact O-N 3.01Å
475	A	77.3	Confident	72	Confident	21 Å²	21	66.2 Å²	66.2	17%	0.174	38%	0.379	C	S	.	.	H	α-helix	trans	-71.9	-36.4	175.6	0	0	0	0	0	111.8	F470 Q472 S473 H479	F470-A475 HydrophobicContact CB-CB 4.2Å; F470-A475 HydrophobicContact CD1-CB 3.98Å; F470-A475 HydrophobicContact CG-CB 4.34Å; Q472-A475 HydrophobicContact CB-CB 4.38Å; Q472-A475 WeakPolarHBondContact O-CB 3.34Å; Q472-A475 PolarHBondContact O-N 2.88Å; Q472-A475 VanDerWaalsContact O-N 3.17Å; S473-A475 VanDerWaalsContact C-N 3.3Å; S473-A475 PolarHBondContact O-N 2.87Å; A475-H479 WeakPolarHBondContact O-CB 3.27Å; A475-H479 PolarHBondContact O-N 3.33Å
476	L	78.1	Confident	71.5	Confident	19 Å²	19	65.4 Å²	65.4	10%	0.099	38%	0.379	C	S	.	.	H	α-helix	trans	-64.2	-48.2	170.4	172.3	60	0	0	0	111.4	C463 F470 Q472 S473 R478 H479 Q480	C463-L476 HydrophobicContact CB-CD1 3.51Å; F470-L476 HydrophobicContact CB-CB 4.27Å; F470-L476 HydrophobicContact CD2-CB 4.03Å; F470-L476 HydrophobicContact CD2-CD1 3.98Å; F470-L476 HydrophobicContact CE2-CD1 4.28Å; F470-L476 HydrophobicContact CG-CB 4.37Å; Q472-L476 PolarHBondContact O-N 3.22Å; Q472-L476 VanDerWaalsContact O-N 3.16Å; S473-L476 PolarHBondContact O-N 2.89Å; L476-R478 VanDerWaalsContact C-N 3.33Å; L476-R478 PolarHBondContact O-N 3.31Å; L476-H479 CarbonylContact O-C 3.32Å; L476-H479 WeakPolarHBondContact O-CA 3.16Å; L476-H479 WeakPolarHBondContact O-CB 3.46Å; L476-H479 PolarHBondContact O-N 2.61Å; L476-Q480 HydrophobicContact CD1-CG 3.94Å; L476-Q480 HydrophobicContact CG-CG 4.3Å; L476-Q480 WeakPolarHBondContact O-CG 3.28Å; L476-Q480 PolarHBondContact O-N 2.9Å
477	A	74.9	Confident	70.8	Confident	53 Å²	53	68.2 Å²	68.2	44%	0.438	38%	0.382	S	S	.	.	H	α-helix	trans	-59.2	-44.3	179.2	0	0	0	0	0	111.7	S473 H479 Q480 A481	S473-A477 WeakPolarHBondContact O-CB 3.49Å; S473-A477 PolarHBondContact O-N 2.94Å; A477-H479 PolarHBondContact O-N 3.43Å; A477-Q480 PolarHBondContact O-N 3.05Å; A477-Q480 VanDerWaalsContact O-N 3.17Å; A477-A481 PolarHBondContact O-N 2.62Å; A477-A481 VanDerWaalsContact O-N 3.09Å
478	R	71.6	Confident	70.5	Confident	151 Å²	151	69.4 Å²	69.4	57%	0.57	38%	0.38	S	S	*	.	H	α-helix	trans	-60.6	-29.5	171	177.2	167.4	68.5	167.6	2.8	113.3	S474 L476 L500	S474-R478 WeakPolarHBondContact O-CB 3.27Å; S474-R478 PolarHBondContact O-N 3.01Å; L476-R478 VanDerWaalsContact C-N 3.33Å; L476-R478 PolarHBondContact O-N 3.31Å; R478-L500 HydrophobicContact CG-CD1 3.83Å; R478-L500 HydrophobicContact CG-CD2 3.99Å; R478-L500 HydrophobicContact CG-CG 4.46Å
479	H	73.6	Confident	70	Confident	27 Å²	27	64.6 Å²	64.6	13%	0.125	36%	0.364	C	S	.	.	H	α-helix	trans	-82.2	-30.6	174.3	-173.6	55.6	0	0	0	113.1	C466 F470 A475 L476 A477 A481 V482 H483	C466-H479 PolarHBondContact SG-NE2 3.19Å; F470-H479 HydrophobicContact CE1-CB 4.19Å; F470-H479 HydrophobicContact CE2-CB 3.7Å; F470-H479 AromaticContact CE2-CD2 3.38Å; F470-H479 WeakPolarHBondContact CE2-CD2 3.28Å; F470-H479 AromaticContact CE2-CG 3.63Å; F470-H479 HydrophobicContact CZ-CB 3.5Å; F470-H479 AromaticContact CZ-CD2 3.48Å; F470-H479 VanDerWaalsContact CZ-CD2 3.48Å; F470-H479 WeakPolarHBondContact CZ-CD2 3.41Å; F470-H479 AromaticContact CZ-CG 3.34Å; A475-H479 WeakPolarHBondContact O-CB 3.27Å; A475-H479 PolarHBondContact O-N 3.33Å; L476-H479 CarbonylContact O-C 3.32Å; L476-H479 WeakPolarHBondContact O-CA 3.16Å; L476-H479 WeakPolarHBondContact O-CB 3.46Å; L476-H479 PolarHBondContact O-N 2.61Å; A477-H479 PolarHBondContact O-N 3.43Å; H479-A481 PolarHBondContact O-N 3.3Å; H479-V482 VanDerWaalsContact O-CB 3.25Å; H479-V482 WeakPolarHBondContact O-CB 3.34Å; H479-V482 PolarHBondContact O-N 2.82Å; H479-H483 AromaticContact CD2-NE2 3.6Å; H479-H483 AromaticContact CE1-NE2 3.57Å; H479-H483 AromaticContact NE2-CD2 3.99Å; H479-H483 AromaticContact NE2-CE1 3.94Å; H479-H483 AromaticContact NE2-NE2 3.04Å; H479-H483 PolarHBondContact NE2-NE2 3.37Å; H479-H483 PolarHBondContact O-CD2 3.49Å; H479-H483 VanDerWaalsContact O-CD2 3.27Å
480	Q	69.2	Low	69.3	Low	69 Å²	69	66.7 Å²	66.7	32%	0.322	38%	0.379	S	S	.	.	H	α-helix	trans	-62.9	-34.8	171.1	-72.3	169.4	-60.6	0	0	110.7	L476 A477 V482 H483 T484	L476-Q480 HydrophobicContact CD1-CG 3.94Å; L476-Q480 HydrophobicContact CG-CG 4.3Å; L476-Q480 WeakPolarHBondContact O-CG 3.28Å; L476-Q480 PolarHBondContact O-N 2.9Å; A477-Q480 PolarHBondContact O-N 3.05Å; A477-Q480 VanDerWaalsContact O-N 3.17Å; Q480-V482 PolarHBondContact O-N 3.39Å; Q480-H483 PolarHBondContact O-N 2.97Å; Q480-T484 PolarHBondContact O-N 3.2Å; Q480-T484 PolarHBondContact O-OG1 3.07Å
481	A	69.9	Low	68.6	Low	26 Å²	26	64.8 Å²	64.8	22%	0.215	37%	0.37	C	S	.	.	H	α-helix	trans	-63.4	0.4	167.5	0	0	0	0	0	115.5	A477 H479 T484 R499	A477-A481 PolarHBondContact O-N 2.62Å; A477-A481 VanDerWaalsContact O-N 3.09Å; H479-A481 PolarHBondContact O-N 3.3Å; A481-T484 WeakPolarHBondContact CA-OG1 3.43Å; A481-R499 VanDerWaalsContact O-CD 3.29Å; A481-R499 WeakPolarHBondContact O-CD 3.27Å
482	V	65.8	Low	67.5	Low	63 Å²	63	68 Å²	68	38%	0.382	39%	0.39	S	S	.	.	H	α-helix	trans	-95.4	-26.3	167.6	-174.5	0	0	0	0	111.3	H479 Q480	H479-V482 VanDerWaalsContact O-CB 3.25Å; H479-V482 WeakPolarHBondContact O-CB 3.34Å; H479-V482 PolarHBondContact O-N 2.82Å; Q480-V482 PolarHBondContact O-N 3.39Å
483	H	66.1	Low	66.6	Low	70 Å²	70	68.6 Å²	68.6	32%	0.324	40%	0.396	S	S	.	.	H	α-helix	trans	-90	-39	178.8	-60	-71.8	0	0	0	112	H465 C466 H479 Q480 A485	H465-H483 HydrophobicContact CB-CB 4.17Å; C466-H483 PolarHBondContact SG-NE2 3.09Å; H479-H483 AromaticContact CD2-NE2 3.6Å; H479-H483 AromaticContact CE1-NE2 3.57Å; H479-H483 AromaticContact NE2-CD2 3.99Å; H479-H483 AromaticContact NE2-CE1 3.94Å; H479-H483 AromaticContact NE2-NE2 3.04Å; H479-H483 PolarHBondContact NE2-NE2 3.37Å; H479-H483 PolarHBondContact O-CD2 3.49Å; H479-H483 VanDerWaalsContact O-CD2 3.27Å; Q480-H483 PolarHBondContact O-N 2.97Å; H483-A485 PolarHBondContact O-N 3.22Å
484	T	63.6	Low	66.1	Low	83 Å²	83	67 Å²	67	51%	0.509	38%	0.384	S	S	.	.	S	Bend	trans	-73.1	107.8	163.6	57.9	0	0	0	0	107.7	Q480 A481 D486	Q480-T484 PolarHBondContact O-N 3.2Å; Q480-T484 PolarHBondContact O-OG1 3.07Å; A481-T484 WeakPolarHBondContact CA-OG1 3.43Å; T484-D486 PolarHBondContact O-N 3.39Å
485	A	57.3	Low	65.1	Low	79 Å²	79	66.3 Å²	66.3	65%	0.653	39%	0.389	S	S	*	.			trans	-71.3	6.7	-170.3	0	0	0	0	0	115.5	H483	H483-A485 PolarHBondContact O-N 3.22Å
486	D	58	Low	64.4	Low	112 Å²	112	70 Å²	70	60%	0.599	40%	0.402	S	S	*	.			trans	-62.3	143.9	175.1	-158	-18.3	0	0	0	111.4	T484	T484-D486 PolarHBondContact O-N 3.39Å
487	R	58.2	Low	63.5	Low	113 Å²	113	69.8 Å²	69.8	43%	0.426	40%	0.403	S	S	.	.			trans	-131.2	69.6	-176.5	-62.7	169.8	74	-175	-3.2	108.8	H489 A497 F498 R499	R487-H489 PolarHBondContact O-N 3.22Å; R487-A497 HydrophobicContact CB-CB 3.44Å; R487-A497 VanDerWaalsContact CB-CB 3.44Å; R487-A497 HydrophobicContact CG-CB 4.31Å; R487-A497 PolarHBondContact NE-O 3.14Å; R487-A497 PolarHBondContact NH2-O 3.01Å; R487-F498 CarbonylContact C-O 3.13Å; R487-R499 HydrophobicContact CG-CG 4.3Å
488	P	59.6	Low	63.2	Low	80 Å²	80	69.2 Å²	69.2	52%	0.519	39%	0.391	S	S	.	.			trans	-72.1	6.2	-160.1	-19.6	34	0	0	0	116.5
489	H	60.5	Low	62.9	Low	64 Å²	64	67.6 Å²	67.6	30%	0.296	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	80.2	-175.7	-56.7	-48.7	0	0	0	110.3	R487 F498 R501 F504	R487-H489 PolarHBondContact O-N 3.22Å; H489-F498 HydrophobicContact CB-CB 4.43Å; H489-F498 PolarHBondContact N-O 3.41Å; H489-F498 PolarHBondContact O-N 2.93Å; H489-R501 PolarHBondContact CD2-N 2.92Å; H489-F504 HydrophobicContact CB-CB 3.97Å; H489-F504 HydrophobicContact CB-CD1 4.17Å; H489-F504 HydrophobicContact CB-CG 4.23Å
490	C	59.6	Low	62.5	Low	80 Å²	80	69 Å²	69	54%	0.541	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	136.8	171.5	-58.7	0	0	0	0	111.2
491	C	65.7	Low	62.5	Low	1 Å²	1	73.5 Å²	73.5	1%	0.007	41%	0.407	C	S	.	.			trans	-78.4	121.8	162.8	-150.4	0	0	0	0	108.2	D493 G495 Q496 F498 F504 H507 C513	C491-D493 PolarHBondContact O-N 2.84Å; C491-D493 PolarHBondContact SG-OD2 3.22Å; C491-G495 WeakPolarHBondContact O-CA 3.4Å; C491-G495 PolarHBondContact O-N 3.24Å; C491-Q496 PolarHBondContact N-O 3.49Å; C491-F498 HydrophobicContact CB-CE2 4.35Å; C491-F504 HydrophobicContact CB-CD2 4.16Å; C491-F504 HydrophobicContact CB-CE2 3.96Å; C491-H507 VanDerWaalsContact SG-CD2 3.57Å; C491-C513 VanDerWaalsContact SG-SG 3.65Å
492	P	53.2	Low	62.6	Low	104 Å²	104	75.2 Å²	75.2	68%	0.675	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-31.4	179.6	26.1	-31.9	0	0	0	111.5	C494	P492-C494 VanDerWaalsContact C-N 3.34Å; P492-C494 PolarHBondContact O-N 3.47Å
493	D	61.2	Low	62.9	Low	87 Å²	87	74.5 Å²	74.5	47%	0.465	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-8.7	-169.7	-25.3	-85.9	0	0	0	113.7	C491 C513	C491-D493 PolarHBondContact O-N 2.84Å; C491-D493 PolarHBondContact SG-OD2 3.22Å; D493-C513 HydrophobicContact CB-CB 4.1Å
494	C	67.5	Low	63	Low	33 Å²	33	72.7 Å²	72.7	22%	0.223	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-154.3	2.9	-179.1	74.6	0	0	0	0	115.2	P492 Q496 H507 C513	P492-C494 VanDerWaalsContact C-N 3.34Å; P492-C494 PolarHBondContact O-N 3.47Å; C494-Q496 PolarHBondContact O-N 3.22Å; C494-H507 PolarHBondContact SG-NE2 2.77Å; C494-C513 HydrophobicContact CB-CB 4.07Å
495	G	56.3	Low	63.4	Low	58 Å²	58	73.2 Å²	73.2	60%	0.598	40%	0.403	S	S	*	.			trans	68.9	-5.2	-178.7	0	0	0	0	0	116.2	C491 A497	C491-G495 WeakPolarHBondContact O-CA 3.4Å; C491-G495 PolarHBondContact O-N 3.24Å; G495-A497 PolarHBondContact O-N 3.14Å
496	Q	62.4	Low	64.2	Low	98 Å²	98	77.7 Å²	77.7	46%	0.458	40%	0.403	S	S	.	.			trans	-65.2	119.9	178.5	-76.8	-68	-7.1	0	0	111.1	C491 C494 F498	C491-Q496 PolarHBondContact N-O 3.49Å; C494-Q496 PolarHBondContact O-N 3.22Å; Q496-F498 HydrophobicContact CB-CE2 3.66Å; Q496-F498 HydrophobicContact CB-CZ 3.8Å; Q496-F498 VanDerWaalsContact O-CD2 3.29Å; Q496-F498 WeakPolarHBondContact O-CD2 3.48Å; Q496-F498 WeakPolarHBondContact O-CE2 3.42Å
497	A	59.2	Low	65	Low	15 Å²	15	74 Å²	74	12%	0.124	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	131.8	-180	0	0	0	0	0	111.7	R487 G495	R487-A497 HydrophobicContact CB-CB 3.44Å; R487-A497 VanDerWaalsContact CB-CB 3.44Å; R487-A497 HydrophobicContact CG-CB 4.31Å; R487-A497 PolarHBondContact NE-O 3.14Å; R487-A497 PolarHBondContact NH2-O 3.01Å; G495-A497 PolarHBondContact O-N 3.14Å
498	F	68.6	Low	65.5	Low	41 Å²	41	76.3 Å²	76.3	18%	0.18	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	137.5	-175.8	-63	-89.6	0	0	0	111	R487 H489 C491 Q496 L500 D503 F504 H507	R487-F498 CarbonylContact C-O 3.13Å; H489-F498 HydrophobicContact CB-CB 4.43Å; H489-F498 PolarHBondContact N-O 3.41Å; H489-F498 PolarHBondContact O-N 2.93Å; C491-F498 HydrophobicContact CB-CE2 4.35Å; Q496-F498 HydrophobicContact CB-CE2 3.66Å; Q496-F498 HydrophobicContact CB-CZ 3.8Å; Q496-F498 VanDerWaalsContact O-CD2 3.29Å; Q496-F498 WeakPolarHBondContact O-CD2 3.48Å; Q496-F498 WeakPolarHBondContact O-CE2 3.42Å; F498-L500 PolarHBondContact O-N 3.26Å; F498-D503 HydrophobicContact CD1-CB 4.23Å; F498-F504 HydrophobicContact CB-CB 3.88Å; F498-F504 HydrophobicContact CD2-CB 3.78Å; F498-F504 HydrophobicContact CD2-CD2 4.22Å; F498-F504 HydrophobicContact CD2-CG 4.45Å; F498-F504 HydrophobicContact CG-CB 3.95Å; F498-H507 HydrophobicContact CE1-CB 3.96Å; F498-H507 HydrophobicContact CE2-CB 4.02Å; F498-H507 AromaticContact CE2-CD2 3.41Å; F498-H507 VanDerWaalsContact CE2-CD2 3.41Å; F498-H507 WeakPolarHBondContact CE2-CD2 3.42Å; F498-H507 AromaticContact CE2-CG 3.74Å; F498-H507 AromaticContact CE2-NE2 3.92Å; F498-H507 HydrophobicContact CZ-CB 3.52Å; F498-H507 AromaticContact CZ-CD2 3.46Å; F498-H507 VanDerWaalsContact CZ-CD2 3.46Å; F498-H507 WeakPolarHBondContact CZ-CD2 3.45Å; F498-H507 AromaticContact CZ-CE1 4Å; F498-H507 AromaticContact CZ-CG 3.29Å; F498-H507 AromaticContact CZ-ND1 3.67Å; F498-H507 AromaticContact CZ-NE2 3.88Å
499	R	66.4	Low	66.1	Low	117 Å²	117	83 Å²	83	44%	0.442	41%	0.406	S	S	.	.	S	Bend	trans	-68.6	-11.3	173.8	-69.2	170.1	170.5	142.8	-2.3	113.1	A481 R487	A481-R499 VanDerWaalsContact O-CD 3.29Å; A481-R499 WeakPolarHBondContact O-CD 3.27Å; R487-R499 HydrophobicContact CG-CG 4.3Å
500	L	64.8	Low	66.5	Low	55 Å²	55	82.8 Å²	82.8	29%	0.288	42%	0.421	S	S	.	.	S	Bend	trans	-145	128.9	-172.3	-72.2	167.3	0	0	0	111.4	R478 F498 A502 D503 F504	R478-L500 HydrophobicContact CG-CD1 3.83Å; R478-L500 HydrophobicContact CG-CD2 3.99Å; R478-L500 HydrophobicContact CG-CG 4.46Å; F498-L500 PolarHBondContact O-N 3.26Å; L500-A502 PolarHBondContact O-N 3.42Å; L500-D503 HydrophobicContact CB-CB 4.37Å; L500-D503 WeakPolarHBondContact CB-OD2 3.5Å; L500-D503 VanDerWaalsContact CD1-OD2 3.32Å; L500-D503 WeakPolarHBondContact CD1-OD2 3.43Å; L500-D503 PolarHBondContact O-N 3.34Å; L500-F504 PolarHBondContact O-N 3.21Å; L500-F504 VanDerWaalsContact O-N 3.09Å
501	R	68.8	Low	66.6	Low	164 Å²	164	82.2 Å²	82.2	62%	0.619	43%	0.429	S	S	*	.	H	α-helix	trans	-56.7	-34.5	178.5	-171	173.4	-179.9	163.5	2.8	112.9	H489 D503 Q505	H489-R501 PolarHBondContact CD2-N 2.92Å; R501-D503 VanDerWaalsContact C-N 3.34Å; R501-Q505 VanDerWaalsContact O-CB 3.32Å; R501-Q505 WeakPolarHBondContact O-CB 3.26Å; R501-Q505 VanDerWaalsContact O-CG 3.23Å; R501-Q505 WeakPolarHBondContact O-CG 3.41Å; R501-Q505 PolarHBondContact O-N 3.11Å
502	A	71.7	Confident	66.3	Low	62 Å²	62	84.1 Å²	84.1	51%	0.512	45%	0.449	S	S	.	.	H	α-helix	trans	-66.6	-33.7	177.4	0	0	0	0	0	112.8	L500 R506	L500-A502 PolarHBondContact O-N 3.42Å; A502-R506 WeakPolarHBondContact O-CB 3.44Å; A502-R506 PolarHBondContact O-N 3.49Å
503	D	72.7	Confident	66.3	Low	49 Å²	49	81.3 Å²	81.3	26%	0.262	43%	0.431	S	S	.	.	H	α-helix	trans	-84.1	-32.8	-179.9	-63.9	-48.8	0	0	0	111.8	F498 L500 R501 R506 H507	F498-D503 HydrophobicContact CD1-CB 4.23Å; L500-D503 HydrophobicContact CB-CB 4.37Å; L500-D503 WeakPolarHBondContact CB-OD2 3.5Å; L500-D503 VanDerWaalsContact CD1-OD2 3.32Å; L500-D503 WeakPolarHBondContact CD1-OD2 3.43Å; L500-D503 PolarHBondContact O-N 3.34Å; R501-D503 VanDerWaalsContact C-N 3.34Å; D503-R506 WeakPolarHBondContact O-CB 3.34Å; D503-R506 PolarHBondContact O-N 2.96Å; D503-R506 IonicContact OD1-CZ 3.12Å; D503-R506 IonicContact OD1-NE 3.67Å; D503-R506 PolarHBondContact OD1-NE 2.94Å; D503-R506 VanDerWaalsContact OD1-NE 3.08Å; D503-R506 IonicContact OD1-NH2 3.83Å; D503-R506 PolarHBondContact OD1-NH2 3.45Å; D503-H507 WeakPolarHBondContact O-CB 3.47Å; D503-H507 PolarHBondContact O-N 3.19Å
504	F	68.6	Low	65.7	Low	32 Å²	32	81.4 Å²	81.4	14%	0.14	44%	0.443	C	S	.	.	H	α-helix	trans	-57.5	-49.6	162.5	164.1	-129.5	0	0	0	111.5	H489 C491 F498 L500 R506 H507 R508	H489-F504 HydrophobicContact CB-CB 3.97Å; H489-F504 HydrophobicContact CB-CD1 4.17Å; H489-F504 HydrophobicContact CB-CG 4.23Å; C491-F504 HydrophobicContact CB-CD2 4.16Å; C491-F504 HydrophobicContact CB-CE2 3.96Å; F498-F504 HydrophobicContact CB-CB 3.88Å; F498-F504 HydrophobicContact CD2-CB 3.78Å; F498-F504 HydrophobicContact CD2-CD2 4.22Å; F498-F504 HydrophobicContact CD2-CG 4.45Å; F498-F504 HydrophobicContact CG-CB 3.95Å; L500-F504 PolarHBondContact O-N 3.21Å; L500-F504 VanDerWaalsContact O-N 3.09Å; F504-R506 VanDerWaalsContact C-N 3.27Å; F504-R506 PolarHBondContact O-N 3.08Å; F504-H507 PolarHBondContact O-N 3.27Å; F504-R508 HydrophobicContact CE2-CB 4.24Å; F504-R508 PolarHBondContact O-N 3.48Å
505	Q	70.9	Confident	64.4	Low	93 Å²	93	87.6 Å²	87.6	44%	0.435	47%	0.469	S	S	.	.	H	α-helix	trans	-64.2	-30.5	178	-76.4	175.1	-29.9	0	0	113	R501 R509	R501-Q505 VanDerWaalsContact O-CB 3.32Å; R501-Q505 WeakPolarHBondContact O-CB 3.26Å; R501-Q505 VanDerWaalsContact O-CG 3.23Å; R501-Q505 WeakPolarHBondContact O-CG 3.41Å; R501-Q505 PolarHBondContact O-N 3.11Å; Q505-R509 WeakPolarHBondContact O-CB 3.48Å; Q505-R509 PolarHBondContact O-N 3.26Å
506	R	73.6	Confident	63.7	Low	173 Å²	173	90.3 Å²	90.3	65%	0.653	48%	0.476	S	S	*	.	H	α-helix	trans	-69.5	-45.7	172.6	-168.8	-157.9	-49.9	-96.1	3	111.3	A502 D503 F504 R509 G510	A502-R506 WeakPolarHBondContact O-CB 3.44Å; A502-R506 PolarHBondContact O-N 3.49Å; D503-R506 WeakPolarHBondContact O-CB 3.34Å; D503-R506 PolarHBondContact O-N 2.96Å; D503-R506 IonicContact OD1-CZ 3.12Å; D503-R506 IonicContact OD1-NE 3.67Å; D503-R506 PolarHBondContact OD1-NE 2.94Å; D503-R506 VanDerWaalsContact OD1-NE 3.08Å; D503-R506 IonicContact OD1-NH2 3.83Å; D503-R506 PolarHBondContact OD1-NH2 3.45Å; F504-R506 VanDerWaalsContact C-N 3.27Å; F504-R506 PolarHBondContact O-N 3.08Å; R506-R509 PolarHBondContact O-N 2.64Å; R506-G510 PolarHBondContact O-N 3.13Å
507	H	75.3	Confident	62.4	Low	35 Å²	35	89.2 Å²	89.2	16%	0.162	49%	0.491	C	S	.	.	H	α-helix	trans	-62.9	-49.4	178.2	168.1	80.8	0	0	0	111.9	C491 C494 F498 D503 F504 R509 G510 G512	C491-H507 VanDerWaalsContact SG-CD2 3.57Å; C494-H507 PolarHBondContact SG-NE2 2.77Å; F498-H507 HydrophobicContact CE1-CB 3.96Å; F498-H507 HydrophobicContact CE2-CB 4.02Å; F498-H507 AromaticContact CE2-CD2 3.41Å; F498-H507 VanDerWaalsContact CE2-CD2 3.41Å; F498-H507 WeakPolarHBondContact CE2-CD2 3.42Å; F498-H507 AromaticContact CE2-CG 3.74Å; F498-H507 AromaticContact CE2-NE2 3.92Å; F498-H507 HydrophobicContact CZ-CB 3.52Å; F498-H507 AromaticContact CZ-CD2 3.46Å; F498-H507 VanDerWaalsContact CZ-CD2 3.46Å; F498-H507 WeakPolarHBondContact CZ-CD2 3.45Å; F498-H507 AromaticContact CZ-CE1 4Å; F498-H507 AromaticContact CZ-CG 3.29Å; F498-H507 AromaticContact CZ-ND1 3.67Å; F498-H507 AromaticContact CZ-NE2 3.88Å; D503-H507 WeakPolarHBondContact O-CB 3.47Å; D503-H507 PolarHBondContact O-N 3.19Å; F504-H507 PolarHBondContact O-N 3.27Å; H507-R509 VanDerWaalsContact C-N 3.3Å; H507-R509 PolarHBondContact O-N 3.08Å; H507-G510 PolarHBondContact O-N 3.01Å; H507-G510 VanDerWaalsContact O-N 3.1Å; H507-G512 PolarHBondContact CE1-O 2.78Å; H507-G512 PolarHBondContact O-N 2.9Å
508	R	68.6	Low	61	Low	162 Å²	162	92.2 Å²	92.2	61%	0.611	52%	0.523	S	S	*	.	H	α-helix	trans	-65.3	-30.5	178	-157.2	-176.9	81.5	168.4	8.4	113.1	F504	F504-R508 HydrophobicContact CE2-CB 4.24Å; F504-R508 PolarHBondContact O-N 3.48Å
509	R	73.2	Confident	59.2	Low	220 Å²	220	98.2 Å²	98.2	83%	0.83	56%	0.557	S	S	*	*	H	α-helix	trans	-85.9	-10.7	175.2	-161	-173.5	-61.8	-131.3	-1.6	113.2	Q505 R506 H507	Q505-R509 WeakPolarHBondContact O-CB 3.48Å; Q505-R509 PolarHBondContact O-N 3.26Å; R506-R509 PolarHBondContact O-N 2.64Å; H507-R509 VanDerWaalsContact C-N 3.3Å; H507-R509 PolarHBondContact O-N 3.08Å
510	G	68.8	Low	57.3	Low	60 Å²	60	95.7 Å²	95.7	62%	0.619	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	18.3	-177.2	0	0	0	0	0	114.1	R506 H507 G512	R506-G510 PolarHBondContact O-N 3.13Å; H507-G510 PolarHBondContact O-N 3.01Å; H507-G510 VanDerWaalsContact O-N 3.1Å; G510-G512 PolarHBondContact O-N 2.98Å; G510-G512 VanDerWaalsContact O-N 3.15Å
511	G	61.5	Low	56.2	Low	68 Å²	68	98.7 Å²	98.7	70%	0.701	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.5	18.8	177.4	0	0	0	0	0	115.1	C513	G511-C513 PolarHBondContact O-N 3.18Å
512	G	58.8	Low	54.5	Low	41 Å²	41	102.3 Å²	102.3	42%	0.423	61%	0.605	S	S	.	*			trans	-72.8	8.4	-170	0	0	0	0	0	116.3	H507 G510	H507-G512 PolarHBondContact CE1-O 2.78Å; H507-G512 PolarHBondContact O-N 2.9Å; G510-G512 PolarHBondContact O-N 2.98Å; G510-G512 VanDerWaalsContact O-N 3.15Å
513	C	53.7	Low	52.3	Low	45 Å²	45	111 Å²	111	30%	0.304	62%	0.624	S	S	.	*			trans	-103.4	89.3	-177.9	-57.8	0	0	0	0	109.1	C491 D493 C494 G511	C491-C513 VanDerWaalsContact SG-SG 3.65Å; D493-C513 HydrophobicContact CB-CB 4.1Å; C494-C513 HydrophobicContact CB-CB 4.07Å; G511-C513 PolarHBondContact O-N 3.18Å
514	A	49.4	Very low	50.1	Low	88 Å²	88	116.7 Å²	116.7	73%	0.727	65%	0.649	S	S	*	*			trans	-109	137.7	168.2	0	0	0	0	0	109.2
515	E	39.6	Very low	48.8	Very low	164 Å²	164	120.9 Å²	120.9	77%	0.766	68%	0.68	S	S	*	*			trans	-52.5	129.5	-168.7	-71.1	-67.1	103.7	0	0	115.2	G517	E515-G517 PolarHBondContact O-N 2.77Å; E515-G517 VanDerWaalsContact O-N 3.09Å
516	P	41.3	Very low	46.6	Very low	114 Å²	114	119.9 Å²	119.9	74%	0.74	69%	0.694	S	S	*	*			trans	-83.5	52.7	167	35.8	-34.3	0	0	0	111.7
517	G	35.8	Very low	44.5	Very low	75 Å²	75	120.8 Å²	120.8	77%	0.773	71%	0.706	S	S	*	*			trans	-96.1	93.3	-176.9	0	0	0	0	0	113.7	E515	E515-G517 PolarHBondContact O-N 2.77Å; E515-G517 VanDerWaalsContact O-N 3.09Å
518	G	29.8	Very low	42.2	Very low	78 Å²	78	126.3 Å²	126.3	80%	0.804	74%	0.742	S	S	*	*			trans	167.5	59.8	175.8	0	0	0	0	0	117.3
519	D	30.6	Very low	40.1	Very low	167 Å²	167	123.5 Å²	123.5	89%	0.893	75%	0.753	S	S	*	*			trans	-84.3	139.3	168.4	-160.8	-27.1	0	0	0	110.9
520	G	26.5	Very low	37.8	Very low	65 Å²	65	118.3 Å²	118.3	67%	0.67	76%	0.758	S	S	*	*			trans	144.1	115.2	173.5	0	0	0	0	0	115.9
521	P	40	Very low	35.7	Very low	117 Å²	117	120.2 Å²	120.2	76%	0.76	77%	0.767	S	S	*	*			cis	-135.3	128.4	-16.6	35.9	-17.7	0	0	0	114.8
522	R	33.6	Very low	34	Very low	241 Å²	241	121.9 Å²	121.9	91%	0.909	77%	0.774	S	S	*	*			trans	28.5	96.3	141.3	-170.4	-175.7	-170.9	161.9	5.7	118.3
523	R	25.4	Very low	32.5	Very low	245 Å²	245	123.6 Å²	123.6	93%	0.925	79%	0.792	S	S	*	*			trans	-155.5	87.1	150.3	-142.7	178.9	-166.3	118.7	0.4	115.7
524	E	27.1	Very low	31.9	Very low	168 Å²	168	126.9 Å²	126.9	79%	0.785	81%	0.813	S	S	*	*			trans	-74.3	164.9	147.7	-80.2	-70.9	133.6	0	0	110.1
525	P	41.7	Very low	31	Very low	120 Å²	120	131 Å²	131	78%	0.779	82%	0.817	S	S	*	*			cis	-121.1	172.9	-6.3	40.2	-27.6	0	0	0	113.5
526	G	24.1	Very low	30.7	Very low	71 Å²	71	129.9 Å²	129.9	73%	0.732	82%	0.817	S	S	*	*			trans	-179.6	92.4	171.1	0	0	0	0	0	114.3
527	E	30.3	Very low	30	Very low	193 Å²	193	131.6 Å²	131.6	90%	0.902	83%	0.825	S	S	*	*			trans	-57.4	138	-176.6	-60.3	164.3	93.2	0	0	114.5
528	T	25.4	Very low	30	Very low	150 Å²	150	134.7 Å²	134.7	92%	0.92	82%	0.824	S	S	*	*			trans	-160.6	144.8	138.7	5.2	0	0	0	0	110.3
529	A	26.3	Very low	30.2	Very low	104 Å²	104	136.8 Å²	136.8	86%	0.86	82%	0.823	S	S	*	*			trans	-113.8	134.1	-177.4	0	0	0	0	0	111.7
530	A	23.8	Very low	29.8	Very low	111 Å²	111	131.9 Å²	131.9	92%	0.917	81%	0.812	S	S	*	*			trans	-158.4	164.3	160.2	0	0	0	0	0	109.6
531	A	24.5	Very low	31.3	Very low	99 Å²	99	134.7 Å²	134.7	82%	0.818	82%	0.818	S	S	*	*			trans	-137.3	165.3	179.3	0	0	0	0	0	111.7
532	A	25.8	Very low	30.6	Very low	103 Å²	103	138.8 Å²	138.8	85%	0.851	83%	0.828	S	S	*	*			trans	76.7	114.6	161.8	0	0	0	0	0	120
533	G	28.1	Very low	30.2	Very low	77 Å²	77	130.7 Å²	130.7	79%	0.794	82%	0.819	S	S	*	*			trans	79	-179.7	150.2	0	0	0	0	0	117.8
534	P	40.5	Very low	31.1	Very low	115 Å²	115	125.8 Å²	125.8	75%	0.747	82%	0.819	S	S	*	*			cis	-129.3	171.9	-1	41.2	-25.9	0	0	0	116.2
535	E	31.2	Very low	31	Very low	174 Å²	174	121.5 Å²	121.5	81%	0.813	82%	0.82	S	S	*	*			trans	27.3	133.4	144.2	-62.1	173.6	153	0	0	124
536	D	33.6	Very low	30.2	Very low	141 Å²	141	119.5 Å²	119.5	75%	0.754	82%	0.821	S	S	*	*			trans	43.6	122.2	136.7	-56.1	-17	0	0	0	123.2
537	T	26.7	Very low	30.8	Very low	149 Å²	149	121.8 Å²	121.8	91%	0.914	82%	0.823	S	S	*	*				-174.8	158.9	109.8	20.4	0	0	0	0	112.9
538	D	34.7	Very low	30.6	Very low	140 Å²	140	121.6 Å²	121.6	75%	0.749	82%	0.822	S	S	*	*			trans	-115	140.9	169.5	173.6	26.7	0	0	0	108	G540	D538-G540 PolarHBondContact OD1-N 2.77Å; D538-G540 VanDerWaalsContact OD1-N 3.16Å
539	P	34.3	Very low	30.6	Very low	122 Å²	122	119.6 Å²	119.6	79%	0.792	82%	0.821	S	S	*	*				-151.5	126.5	117.4	35.4	-16.8	0	0	0	116.6
540	G	22.2	Very low	30.6	Very low	64 Å²	64	118.5 Å²	118.5	66%	0.66	82%	0.819	S	S	*	*				80.9	174	115.3	0	0	0	0	0	120.8	D538	D538-G540 PolarHBondContact OD1-N 2.77Å; D538-G540 VanDerWaalsContact OD1-N 3.16Å
541	P	59	Low	30.6	Very low	124 Å²	124	122.5 Å²	122.5	81%	0.805	82%	0.819	S	S	*	*			trans	-125.6	164.9	-160.2	41.9	-28.9	0	0	0	115.8
542	E	24.7	Very low	30.8	Very low	204 Å²	204	122.1 Å²	122.1	95%	0.953	82%	0.816	S	S	*	*			trans	-168.3	162.2	148.6	-125.4	175.1	-152.8	0	0	113.8
543	G	25.3	Very low	30.8	Very low	71 Å²	71	125.2 Å²	125.2	73%	0.732	82%	0.818	S	S	*	*			trans	104.4	110.5	151.6	0	0	0	0	0	118.7
544	P	43	Very low	30.8	Very low	141 Å²	141	124.7 Å²	124.7	92%	0.916	81%	0.812	S	S	*	*			trans	-111.2	165.2	178.1	40	-32.7	0	0	0	115
545	G	26.7	Very low	30.1	Very low	78 Å²	78	127.9 Å²	127.9	80%	0.804	82%	0.817	S	S	*	*			trans	-174.3	120.9	165.3	0	0	0	0	0	112.9
546	G	23.4	Very low	30.2	Very low	78 Å²	78	123 Å²	123	80%	0.804	81%	0.807	S	S	*	*			trans	-90.5	-161.7	167.7	0	0	0	0	0	112.1
547	P	38.3	Very low	30	Very low	120 Å²	120	121.5 Å²	121.5	78%	0.779	80%	0.795	S	S	*	*			cis	-134.9	162.5	28.2	41.1	-24.7	0	0	0	117.8
548	E	24.4	Very low	30.1	Very low	189 Å²	189	117.4 Å²	117.4	88%	0.883	78%	0.777	S	S	*	*			trans	35	151.2	141.5	-58.6	-164.6	128.3	0	0	125.4
549	A	26.2	Very low	30.1	Very low	108 Å²	108	113.9 Å²	113.9	89%	0.893	77%	0.767	S	S	*	*			trans	84.5	147.2	155.9	0	0	0	0	0	119.2
550	G	25.9	Very low	30.1	Very low	80 Å²	80	111.8 Å²	111.8	83%	0.825	76%	0.76	S	S	*	*			trans	110	104.7	175.5	0	0	0	0	0	113.8
551	E	24.6	Very low	30.5	Very low	195 Å²	195	116.4 Å²	116.4	91%	0.911	76%	0.764	S	S	*	*			trans	-105.2	152.6	162	-67.7	-178.8	108.7	0	0	109.1
552	A	27.9	Very low	29.1	Very low	91 Å²	91	116.7 Å²	116.7	75%	0.752	76%	0.755	S	S	*	*			trans	59.9	127.5	160.3	0	0	0	0	0	120.7
553	D	25.8	Very low	29.5	Very low	169 Å²	169	115.3 Å²	115.3	90%	0.904	74%	0.741	S	S	*	*			trans	-145.9	154.3	131.3	-80.5	-47.3	0	0	0	104.6
554	G	28.9	Very low	29.8	Very low	65 Å²	65	118.5 Å²	118.5	67%	0.67	74%	0.737	S	S	*	*			cis	91	134.7	46.2	0	0	0	0	0	108.3
555	E	25.2	Very low	29.2	Very low	182 Å²	182	119.7 Å²	119.7	85%	0.85	73%	0.73	S	S	*	*			cis	-101.7	152.5	7.3	-60.9	103.1	-167.5	0	0	112.8
556	A	33.9	Very low	29.3	Very low	72 Å²	72	119.3 Å²	119.3	60%	0.595	72%	0.72	S	S	*	*			cis	90.7	148.8	31.9	0	0	0	0	0	113.4
557	E	28.7	Very low	29.6	Very low	109 Å²	109	119.9 Å²	119.9	51%	0.509	72%	0.717	S	S	.	*			cis	-115.7	-162.6	12.9	-36	-160.2	104.5	0	0	112.3	E30	E30-E557 HydrophobicContact CB-CB 4.26Å; E30-E557 HydrophobicContact CG-CB 4.35Å; E30-E557 WeakPolarHBondContact OE2-CB 3.49Å; E30-E557 PolarHBondContact OE2-N 3.03Å
558	A	29.5	Very low	29.2	Very low	64 Å²	64	120.7 Å²	120.7	53%	0.529	72%	0.719	S	S	.	*			cis	-145.6	168.8	15.3	0	0	0	0	0	114.4	E30 E31	E30-A558 HydrophobicContact CB-CB 3.98Å; E31-A558 HydrophobicContact CG-CB 3.8Å; E31-A558 WeakPolarHBondContact OE1-CA 3.18Å; E31-A558 WeakPolarHBondContact OE1-CB 3.39Å
559	A	34.6	Very low	29.6	Very low	66 Å²	66	116.5 Å²	116.5	55%	0.545	72%	0.717	S	S	.	*			trans	-61.4	178.2	-171.7	0	0	0	0	0	120.2	E31	E31-A559 HydrophobicContact CG-CB 4Å; E31-A559 WeakPolarHBondContact OE1-CB 3.31Å; E31-A559 PolarHBondContact OE1-N 3.37Å; E31-A559 VanDerWaalsContact OE2-CB 3.24Å; E31-A559 WeakPolarHBondContact OE2-CB 3.29Å
560	A	33.2	Very low	29.6	Very low	77 Å²	77	115.5 Å²	115.5	64%	0.636	71%	0.709	S	S	*	*			cis	-173.7	-160	-33.4	0	0	0	0	0	110.9
561	E	31.5	Very low	29.6	Very low	161 Å²	161	119.7 Å²	119.7	75%	0.752	71%	0.711	S	S	*	*			trans	71.8	139.5	164.9	-60.8	-70.5	102.6	0	0	118.9
562	E	30.1	Very low	29.7	Very low	131 Å²	131	116.5 Å²	116.5	61%	0.612	71%	0.705	S	S	*	*			cis	-153.8	161.4	-22.4	-142	-156.4	168.4	0	0	112.8
563	R	32.8	Very low	30.8	Very low	174 Å²	174	118 Å²	118	66%	0.657	71%	0.708	S	S	*	*			trans	66.1	113.5	145.6	-88.4	175.2	106.9	133.8	15	127.6
564	E	30.9	Very low	30.7	Very low	138 Å²	138	116.1 Å²	116.1	65%	0.645	71%	0.708	S	S	*	*				85.3	139.1	115.4	-92.2	-169.6	138.6	0	0	126.3
565	E	31	Very low	30.8	Very low	166 Å²	166	116.5 Å²	116.5	78%	0.776	71%	0.711	S	S	*	*			trans	60.1	128.2	145.7	-73.8	-78.4	82.1	0	0	120.7
566	A	28.3	Very low	31.1	Very low	71 Å²	71	117.9 Å²	117.9	59%	0.587	71%	0.714	S	S	*	*			cis	-174.3	155.6	17.9	0	0	0	0	0	113.3
567	A	29.6	Very low	30.9	Very low	90 Å²	90	119 Å²	119	74%	0.744	72%	0.723	S	S	*	*			trans	49.5	144.7	133.9	0	0	0	0	0	123.5
568	V	30.2	Very low	31	Very low	137 Å²	137	121.2 Å²	121.2	83%	0.83	74%	0.739	S	S	*	*			cis	-166	157.1	-10.6	-96.7	0	0	0	0	111.4
569	A	32	Very low	31.7	Very low	101 Å²	101	123.6 Å²	123.6	84%	0.835	75%	0.749	S	S	*	*			trans	73.5	158.4	155.9	0	0	0	0	0	118.6
570	A	27.7	Very low	31.2	Very low	87 Å²	87	124.8 Å²	124.8	72%	0.719	76%	0.759	S	S	*	*			cis	-153.8	150.3	12.1	0	0	0	0	0	116.2
571	L	25.4	Very low	31.8	Very low	167 Å²	167	126.9 Å²	126.9	87%	0.874	77%	0.766	S	S	*	*			trans	78.3	153.2	153	-65.5	171.6	0	0	0	121.8
572	T	26.4	Very low	31.6	Very low	129 Å²	129	125.8 Å²	125.8	79%	0.791	77%	0.765	S	S	*	*			trans	-149.1	-152.7	-153	51.1	0	0	0	0	111.8
573	P	51.3	Low	31.6	Very low	123 Å²	123	129.6 Å²	129.6	80%	0.799	77%	0.774	S	S	*	*				-124.9	-157.1	-105	41.9	-22.3	0	0	0	114
574	S	24.4	Very low	31.4	Very low	129 Å²	129	131.2 Å²	131.2	90%	0.902	78%	0.78	S	S	*	*			trans	-120.5	168.3	167.3	-165.4	0	0	0	0	112.4
575	G	31.2	Very low	31.2	Very low	72 Å²	72	133.5 Å²	133.5	74%	0.742	79%	0.788	S	S	*	*			trans	-116.1	-151.9	-157.6	0	0	0	0	0	118.5
576	K	30.7	Very low	31.3	Very low	212 Å²	212	132.4 Å²	132.4	92%	0.922	79%	0.787	S	S	*	*			trans	-114.3	160.7	-155.8	-51.7	179.2	178.5	-175.4	0	115.7
577	A	29.5	Very low	31.4	Very low	94 Å²	94	136.9 Å²	136.9	78%	0.777	80%	0.796	S	S	*	*			trans	88.5	150.7	140.2	0	0	0	0	0	122.8
578	D	30.6	Very low	31.5	Very low	156 Å²	156	140.8 Å²	140.8	83%	0.834	80%	0.803	S	S	*	*			trans	-74.7	-170	-174.8	-54	-96.8	0	0	0	115.3
579	P	44.5	Very low	31.2	Very low	114 Å²	114	137.7 Å²	137.7	74%	0.74	80%	0.799	S	S	*	*			cis	-141.8	169.6	1.5	43.2	-24.7	0	0	0	119.1
580	A	25	Very low	31	Very low	92 Å²	92	141.1 Å²	141.1	76%	0.76	80%	0.804	S	S	*	*			trans	39.7	167.3	140.8	0	0	0	0	0	123.9
581	P	44	Very low	30.9	Very low	121 Å²	121	140.6 Å²	140.6	79%	0.786	81%	0.807	S	S	*	*			cis	-133.7	169.9	-39.2	37.7	-20.7	0	0	0	115.9
582	D	27.4	Very low	31	Very low	138 Å²	138	141.2 Å²	141.2	74%	0.738	81%	0.81	S	S	*	*			trans	28.2	115.5	156.5	-175.8	34.2	0	0	0	122.5
583	R	30.3	Very low	31	Very low	210 Å²	210	138.3 Å²	138.3	79%	0.792	81%	0.805	S	S	*	*				-178.7	118.4	126.4	-102.9	169	170.9	-169	-2.9	117.9
584	R	29.6	Very low	29.9	Very low	208 Å²	208	141.9 Å²	141.9	79%	0.785	81%	0.811	S	S	*	*			trans	55.8	117.7	139.8	-64	-178.6	175.2	-164.1	-3.4	124.2
585	F	27	Very low	30.1	Very low	187 Å²	187	139 Å²	139	82%	0.82	80%	0.802	S	S	*	*			trans	73.2	136.4	134	-96.1	-91.4	0	0	0	123.6
586	L	31.9	Very low	30.1	Very low	142 Å²	142	145.6 Å²	145.6	74%	0.743	81%	0.813	S	S	*	*			trans	67.6	145.2	165.6	-57.4	-178.4	0	0	0	117.1
587	E	31.3	Very low	30	Very low	166 Å²	166	139 Å²	139	78%	0.776	81%	0.806	S	S	*	*			cis	-155.3	-179.7	-19.6	-135.1	173.7	172.5	0	0	110.8
588	L	32	Very low	30.4	Very low	171 Å²	171	140.2 Å²	140.2	90%	0.895	81%	0.806	S	S	*	*			trans	-52.5	144.4	-167.8	-69.7	138.6	0	0	0	119.5
589	G	23.7	Very low	30.2	Very low	73 Å²	73	137.8 Å²	137.8	75%	0.753	80%	0.801	S	S	*	*			trans	170.6	104.9	156.3	0	0	0	0	0	120.5
590	N	27.1	Very low	29.5	Very low	173 Å²	173	137 Å²	137	93%	0.925	80%	0.798	S	S	*	*			trans	48.5	123.3	148.7	-61.9	-5.2	0	0	0	125.3
591	G	25.9	Very low	29.7	Very low	76 Å²	76	141.1 Å²	141.1	78%	0.784	80%	0.801	S	S	*	*			trans	87.2	162.9	146.5	0	0	0	0	0	118.4
592	L	27.7	Very low	29.3	Very low	180 Å²	180	141.2 Å²	141.2	94%	0.942	80%	0.802	S	S	*	*			cis	-167.1	140.2	-15.2	-117.2	176.4	0	0	0	110.5
593	G	25	Very low	29.9	Very low	67 Å²	67	142.6 Å²	142.6	69%	0.691	81%	0.809	S	S	*	*			trans	73.4	172.4	171.8	0	0	0	0	0	117.4
594	E	29.9	Very low	29.5	Very low	199 Å²	199	135.7 Å²	135.7	93%	0.93	80%	0.803	S	S	*	*			cis	-170.7	146.3	-32.6	-123.2	172.9	177	0	0	110.1
595	G	27.9	Very low	29.2	Very low	69 Å²	69	136 Å²	136	71%	0.711	81%	0.81	S	S	*	*			trans	77	116.3	176.5	0	0	0	0	0	116.6
596	E	31.5	Very low	29.3	Very low	209 Å²	209	135.7 Å²	135.7	98%	0.977	81%	0.811	S	S	*	*				65.5	86.6	67.7	-62.3	-164.8	129.7	0	0	113.9
597	G	27.4	Very low	29.1	Very low	74 Å²	74	138 Å²	138	76%	0.763	82%	0.815	S	S	*	*				130.7	-176.5	75.9	0	0	0	0	0	109.5
598	P	38.2	Very low	29.2	Very low	119 Å²	119	136 Å²	136	77%	0.773	82%	0.817	S	S	*	*			cis	-134.4	171.7	-5.8	42.6	-26.3	0	0	0	116.4
599	S	27.2	Very low	29.4	Very low	106 Å²	106	134 Å²	134	74%	0.741	81%	0.811	S	S	*	*			trans	70.9	143.4	148.1	74.5	0	0	0	0	123.5
600	S	28.8	Very low	29.6	Very low	97 Å²	97	139 Å²	139	68%	0.678	82%	0.815	S	S	*	*			trans	89.9	88	149.9	-51	0	0	0	0	121.7
601	H	29.6	Very low	30.5	Very low	178 Å²	178	134.5 Å²	134.5	82%	0.824	80%	0.795	S	S	*	*			trans	68.4	168.4	142.8	-74.5	-67.6	0	0	0	118.7
602	P	35.5	Very low	30.8	Very low	123 Å²	123	139.9 Å²	139.9	80%	0.799	80%	0.796	S	S	*	*			cis	-117.4	-162.7	7.2	43.1	-29.9	0	0	0	115.4
603	L	39.5	Very low	30.7	Very low	168 Å²	168	135.5 Å²	135.5	88%	0.88	78%	0.781	S	S	*	*			trans	-84.7	153.4	-176.8	-65.4	169.5	0	0	0	112.9
604	G	23.5	Very low	30.8	Very low	65 Å²	65	142.9 Å²	142.9	67%	0.67	79%	0.788	S	S	*	*			trans	154.8	101.4	158.2	0	0	0	0	0	115.5
605	F	22.2	Very low	30.7	Very low	215 Å²	215	140.8 Å²	140.8	94%	0.943	78%	0.783	S	S	*	*				176.1	154.9	106.1	-105.4	-78.9	0	0	0	112.1
606	H	28.7	Very low	30.8	Very low	179 Å²	179	144.4 Å²	144.4	83%	0.829	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-89.5	158.1	-179.8	-123.4	-110.8	0	0	0	112.6
607	F	29.2	Very low	31.4	Very low	191 Å²	191	140.1 Å²	140.1	84%	0.838	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-64.4	138.6	175.4	-85.6	-96.2	0	0	0	112.8
608	P	32.6	Very low	31.5	Very low	124 Å²	124	142.4 Å²	142.4	81%	0.805	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-72.9	145	164.6	-13.3	28.9	0	0	0	112
609	V	36	Very low	30.9	Very low	128 Å²	128	142.5 Å²	142.5	78%	0.776	77%	0.769	S	S	*	*			trans	-127.6	134.9	172.4	176.1	0	0	0	0	109.5
610	H	27.9	Very low	31.2	Very low	180 Å²	180	147.4 Å²	147.4	83%	0.833	78%	0.778	S	S	*	*			trans	-156.8	161.1	164.3	-123	-136.9	0	0	0	111.1
611	P	46.7	Very low	32.1	Very low	78 Å²	78	147.7 Å²	147.7	51%	0.506	78%	0.777	S	S	.	*				-147.2	-164.1	-111.7	40.5	-17.5	0	0	0	115.9
612	K	31.2	Very low	31.9	Very low	188 Å²	188	146.2 Å²	146.2	82%	0.817	78%	0.775	S	S	*	*			trans	72.3	152.9	158.3	-69.8	169.8	-178.4	174.5	0	117.4
613	S	27.2	Very low	31.6	Very low	89 Å²	89	148.5 Å²	148.5	62%	0.622	78%	0.779	S	S	*	*			cis	-171.7	-174.6	-21.2	54.7	0	0	0	0	110.3
614	W	26.2	Very low	30.9	Very low	221 Å²	221	143.7 Å²	143.7	84%	0.837	77%	0.77	S	S	*	*			trans	105.3	85.9	164.8	-65.9	85.9	0	0	0	120.7
615	L	26.7	Very low	31.1	Very low	156 Å²	156	148.5 Å²	148.5	82%	0.817	78%	0.779	S	S	*	*				65.7	156.8	114.9	-71.1	171.4	0	0	0	124.7
616	H	31.2	Very low	31.9	Very low	144 Å²	144	143.8 Å²	143.8	67%	0.667	77%	0.771	S	S	*	*			trans	-85.3	172.5	-172.9	-141.9	-132	0	0	0	113.2	D618	H616-D618 IonicContact CE1-OD1 3.52Å; H616-D618 PolarHBondContact CE1-OD1 3.11Å; H616-D618 IonicContact ND1-OD1 3.46Å; H616-D618 PolarHBondContact ND1-OD1 3.3Å
617	P	43.8	Very low	31.9	Very low	119 Å²	119	141.6 Å²	141.6	77%	0.773	77%	0.765	S	S	*	*				-147.3	-179.1	93.9	40.3	-23.5	0	0	0	116.1
618	D	28.9	Very low	31.8	Very low	123 Å²	123	141.7 Å²	141.7	66%	0.658	77%	0.765	S	S	*	*			trans	-101.7	164.7	-158.2	-34.2	-85.7	0	0	0	115.8	H616	H616-D618 IonicContact CE1-OD1 3.52Å; H616-D618 PolarHBondContact CE1-OD1 3.11Å; H616-D618 IonicContact ND1-OD1 3.46Å; H616-D618 PolarHBondContact ND1-OD1 3.3Å
619	S	26.2	Very low	31.5	Very low	120 Å²	120	145.9 Å²	145.9	84%	0.839	77%	0.765	S	S	*	*			trans	-165.9	115.7	151.6	-84.4	0	0	0	0	115.2
620	F	34.6	Very low	31.1	Very low	209 Å²	209	145.3 Å²	145.3	92%	0.917	75%	0.754	S	S	*	*			trans	-149.9	163.3	159.2	-90.3	-77.8	0	0	0	104.9
621	P	46.1	Very low	31	Very low	103 Å²	103	146.5 Å²	146.5	67%	0.669	75%	0.751	S	S	*	*			cis	-148.7	-170.1	33.1	36.1	-11.3	0	0	0	115.8
622	L	26.8	Very low	30	Very low	148 Å²	148	150.1 Å²	150.1	78%	0.775	77%	0.765	S	S	*	*				172.3	154	109.4	-91.2	178.1	0	0	0	114.7
623	L	29.4	Very low	31.1	Very low	171 Å²	171	146.6 Å²	146.6	90%	0.895	76%	0.762	S	S	*	*			trans	69.7	128.2	173.3	-45.7	-175.1	0	0	0	117.4
624	G	23.5	Very low	31.1	Very low	66 Å²	66	149.1 Å²	149.1	68%	0.68	77%	0.773	S	S	*	*			cis	164	78.6	-12.3	0	0	0	0	0	118.3
625	L	27.8	Very low	31.2	Very low	166 Å²	166	146 Å²	146	87%	0.869	77%	0.773	S	S	*	*			trans	65.8	169.2	153.6	-69.8	170.1	0	0	0	118.5
626	P	39.9	Very low	31.1	Very low	117 Å²	117	142 Å²	142	76%	0.76	77%	0.769	S	S	*	*			cis	-126.1	157.1	-4.6	35.9	-19.5	0	0	0	116.4
627	D	28.8	Very low	30.9	Very low	132 Å²	132	145.2 Å²	145.2	71%	0.706	78%	0.775	S	S	*	*			trans	-71.3	165.2	154	-62.9	-80.8	0	0	0	111.8
628	F	26.8	Very low	30.6	Very low	194 Å²	194	144.7 Å²	144.7	85%	0.851	77%	0.771	S	S	*	*				168.1	142.6	114.3	-110.5	-85.6	0	0	0	116.5
629	R	25.1	Very low	30.6	Very low	212 Å²	212	145.1 Å²	145.1	80%	0.8	77%	0.773	S	S	*	*			trans	94	159.1	136.5	-130.7	163.3	-176.4	172.6	3	124.6
630	E	27.7	Very low	31.5	Very low	115 Å²	115	145.3 Å²	145.3	54%	0.537	77%	0.772	S	S	.	*			trans	-82.9	152.8	-166.5	-41.4	152.2	78	0	0	115.8
631	R	26.6	Very low	31.1	Very low	206 Å²	206	139.3 Å²	139.3	78%	0.777	76%	0.76	S	S	*	*				66.5	124	129.6	-78.5	173.9	168.1	156	-7.4	123.4
632	L	25.6	Very low	31.4	Very low	153 Å²	153	140.1 Å²	140.1	80%	0.801	77%	0.766	S	S	*	*			trans	83.9	168.5	135.9	-62	173.4	0	0	0	117
633	P	54.5	Low	31.8	Very low	115 Å²	115	141.3 Å²	141.3	75%	0.747	77%	0.772	S	S	*	*				-135.9	-177.1	-110.3	31.5	-4.9	0	0	0	115.3
634	V	26.5	Very low	31.6	Very low	141 Å²	141	136.8 Å²	136.8	86%	0.855	77%	0.767	S	S	*	*			trans	169.2	149.7	162.3	134.9	0	0	0	0	108.2
635	D	28.3	Very low	31.8	Very low	156 Å²	156	137.1 Å²	137.1	83%	0.834	77%	0.77	S	S	*	*			cis	-167.2	173.6	-31.3	-147.9	-36.5	0	0	0	107.9
636	G	25	Very low	32.4	Very low	71 Å²	71	134.7 Å²	134.7	73%	0.732	76%	0.764	S	S	*	*			trans	126.4	96.5	164.7	0	0	0	0	0	118.2
637	R	27.8	Very low	31.7	Very low	213 Å²	213	137 Å²	137	80%	0.804	77%	0.769	S	S	*	*			trans	-90.5	178.8	171.9	-99.8	-179	177.6	-166.7	0.5	111.5
638	P	36.6	Very low	31.7	Very low	107 Å²	107	135 Å²	135	70%	0.695	77%	0.766	S	S	*	*			cis	-151.7	140.4	28.8	38.9	-15.4	0	0	0	121.6
639	L	28	Very low	31.7	Very low	133 Å²	133	133.6 Å²	133.6	70%	0.696	77%	0.766	S	S	*	*				59.5	169.2	126.6	-60.9	173.6	0	0	0	121.9
640	P	45.4	Very low	31.7	Very low	124 Å²	124	128.5 Å²	128.5	81%	0.805	76%	0.759	S	S	*	*			cis	-123.3	-176.6	-8.4	21.2	3.4	0	0	0	115
641	A	26.8	Very low	31.7	Very low	82 Å²	82	131.5 Å²	131.5	68%	0.678	77%	0.773	S	S	*	*			trans	-106.1	-168.9	-179.8	0	0	0	0	0	113.3
642	P	53	Low	31.6	Very low	120 Å²	120	124.4 Å²	124.4	78%	0.779	76%	0.763	S	S	*	*				-122.1	-115.5	109.6	11.7	8.8	0	0	0	117.2
643	L	34	Very low	31.7	Very low	174 Å²	174	124.7 Å²	124.7	91%	0.911	77%	0.771	S	S	*	*			trans	-147.8	165.6	-136.6	-69.7	163.6	0	0	0	113.1
644	G	25.1	Very low	30.3	Very low	76 Å²	76	122.2 Å²	122.2	78%	0.784	77%	0.767	S	S	*	*			cis	-175.6	-146.7	4.1	0	0	0	0	0	114.9
645	G	27.5	Very low	30.5	Very low	73 Å²	73	124 Å²	124	75%	0.753	77%	0.771	S	S	*	*			trans	-149.7	-164.5	174.1	0	0	0	0	0	110.4
646	P	40.4	Very low	30.4	Very low	115 Å²	115	121.2 Å²	121.2	75%	0.747	77%	0.77	S	S	*	*			cis	-146.5	177	22.3	45.1	-26.6	0	0	0	117.9
647	L	27	Very low	30.5	Very low	164 Å²	164	123.3 Å²	123.3	86%	0.859	77%	0.771	S	S	*	*			trans	52	159	143.1	-68.1	167.2	0	0	0	121.1
648	S	27.1	Very low	30.5	Very low	91 Å²	91	120.1 Å²	120.1	64%	0.636	77%	0.77	S	S	*	*			cis	-174.2	157	-11	49.2	0	0	0	0	111.4
649	L	27.2	Very low	31.1	Very low	165 Å²	165	119.3 Å²	119.3	86%	0.864	77%	0.765	S	S	*	*			trans	64.3	164.2	161.3	-112.4	66.6	0	0	0	115.3
650	V	26	Very low	31.1	Very low	105 Å²	105	123 Å²	123	64%	0.636	78%	0.776	S	S	*	*			cis	-147.5	-168.7	12.8	72.3	0	0	0	0	111.5
651	E	26.3	Very low	30.3	Very low	178 Å²	178	121 Å²	121	83%	0.832	78%	0.778	S	S	*	*			trans	-47.9	162.1	165.8	-62.5	146.7	113.2	0	0	113
652	G	25.5	Very low	30.3	Very low	56 Å²	56	120.9 Å²	120.9	58%	0.577	79%	0.785	S	S	*	*			cis	146.6	169.3	9.1	0	0	0	0	0	109.3
653	T	28.5	Very low	29.1	Very low	159 Å²	159	119.3 Å²	119.3	98%	0.975	79%	0.791	S	S	*	*			trans	64.1	157.9	-170	79.7	0	0	0	0	113.7
654	G	25	Very low	28.7	Very low	64 Å²	64	115 Å²	115	66%	0.66	79%	0.788	S	S	*	*			cis	169.7	150.2	-8.2	0	0	0	0	0	111.4
655	L	29	Very low	29	Very low	179 Å²	179	116.4 Å²	116.4	94%	0.937	79%	0.792	S	S	*	*			trans	33.3	109	156	-56.6	172.8	0	0	0	119
656	A	28.2	Very low	29	Very low	97 Å²	97	116.6 Å²	116.6	80%	0.802	80%	0.795	S	S	*	*				170.5	105	110.8	0	0	0	0	0	112.9
657	C	25.7	Very low	28.5	Very low	114 Å²	114	115.4 Å²	115.4	77%	0.77	80%	0.803	S	S	*	*				-77.2	150.9	121.8	-45	0	0	0	0	104.9
658	D	27.5	Very low	28.6	Very low	146 Å²	146	111.4 Å²	111.4	78%	0.781	80%	0.801	S	S	*	*			cis	-179.4	-167.7	45.2	-116.1	-41.6	0	0	0	105.9
659	P	49.3	Very low	28.7	Very low	91 Å²	91	111.2 Å²	111.2	59%	0.591	81%	0.814	S	S	*	*			cis	-133.1	-154.1	-31.1	28.6	-4.8	0	0	0	111.1
660	F	28.1	Very low	28.8	Very low	209 Å²	209	107.3 Å²	107.3	92%	0.917	81%	0.814	S	S	*	*			trans	74.8	153.9	165.4	-68.4	-70.7	0	0	0	119.2
661	G	28.9	Very low	28.9	Very low	82 Å²	82	106.3 Å²	106.3	85%	0.845	82%	0.824	S	S	*	*			trans	128.3	58.5	176.7	0	0	0	0	0	114.2
662	G	27.1	Very low	29.2	Very low	81 Å²	81	106 Å²	106	84%	0.835	83%	0.827	S	S	*	*			trans	-98.5	168.1	179.2	0	0	0	0	0	114.5
663	G	27.5	Very low	29.6	Very low	87 Å²	87	115.3 Å²	115.3	90%	0.897	85%	0.845	S	S	*	*			trans	83.9	175.2	167.4	0	0	0	0	0	116.1
664	G	25.6	Very low	29.7	Very low	83 Å²	83	112 Å²	112	86%	0.856	83%	0.834	S	S	*	*			trans	109	84.1	168.1	0	0	0	0	0	115.5
665	A	31.1	Very low	29.9	Very low	105 Å²	105	119.4 Å²	119.4	87%	0.868	85%	0.849	S	S	*	*			trans	-67.4	151.9	173.8	0	0	0	0	0	114.6
666	G	28.4	Very low	30	Very low	78 Å²	78	114.3 Å²	114.3	80%	0.804	84%	0.839	S	S	*	*				91	136.1	120.3	0	0	0	0	0	120.2
667	G	29.3	Very low	30.9	Very low	90 Å²	90	115.6 Å²	115.6	93%	0.928	84%	0.839	S	S	*	*			trans	74.7	144.6	157.8	0	0	0	0	0	117.1
668	G	28.5	Very low	31.2	Very low	79 Å²	79	114.5 Å²	114.5	81%	0.814	84%	0.838	S	S	*	*			cis	154.7	122.4	-3.4	0	0	0	0	0	111.2
669	G	29.6	Very low	31.6	Very low	87 Å²	87	114.6 Å²	114.6	90%	0.897	84%	0.844	S	S	*	*			trans	75.6	158.5	-174	0	0	0	0	0	113.6
670	G	29.1	Very low	30.7	Very low	84 Å²	84	113.9 Å²	113.9	87%	0.866	85%	0.853	S	S	*	*			cis	145.1	107.1	-1.9	0	0	0	0	0	110.8
671	G	29.9	Very low	30.9	Very low	83 Å²	83	109.2 Å²	109.2	86%	0.856	85%	0.846	S	S	*	*			trans	178	90	-176.6	0	0	0	0	0	114.3
672	L	31.7	Very low	31.1	Very low	172 Å²	172	112.9 Å²	112.9	90%	0.901	85%	0.845	S	S	*	*			trans	-80.4	139.5	174.2	-66.2	168.5	0	0	0	111.6
673	R	33.1	Very low	31.4	Very low	251 Å²	251	117.1 Å²	117.1	95%	0.947	85%	0.848	S	S	*	*			trans	-166.9	116.9	141.3	-107.9	160.5	-163.4	-88.6	-1.8	110.9
674	A	32	Very low	31.6	Very low	91 Å²	91	118 Å²	118	75%	0.752	85%	0.847	S	S	*	*			trans	-106.8	155.5	172.1	0	0	0	0	0	110.5
675	F	29.2	Very low	31.9	Very low	219 Å²	219	122.9 Å²	122.9	96%	0.961	85%	0.847	S	S	*	*			trans	-161.2	138.3	138.1	-101.3	-70.5	0	0	0	108
676	G	30.1	Very low	32	Very low	71 Å²	71	123.6 Å²	123.6	73%	0.732	84%	0.843	S	S	*	*			trans	-95.7	-136.5	-172	0	0	0	0	0	113.7
677	P	47.3	Very low	32	Very low	124 Å²	124	124.2 Å²	124.2	81%	0.805	84%	0.841	S	S	*	*			cis	-141.1	164.9	1.2	42.3	-25.4	0	0	0	117.2
678	A	33.2	Very low	32.5	Very low	91 Å²	91	126 Å²	126	75%	0.752	84%	0.836	S	S	*	*			trans	54.8	164.2	145.4	0	0	0	0	0	120.5
679	V	34	Very low	32.6	Very low	149 Å²	149	127 Å²	127	90%	0.903	84%	0.837	S	S	*	*			cis	-142.8	150.8	7	-146.1	0	0	0	0	109.4
680	G	30.7	Very low	32.8	Very low	75 Å²	75	127.4 Å²	127.4	77%	0.773	83%	0.831	S	S	*	*			trans	171.7	87.2	171.4	0	0	0	0	0	117.1
681	S	33.2	Very low	33.3	Very low	111 Å²	111	131.5 Å²	131.5	78%	0.776	83%	0.833	S	S	*	*			trans	-41.3	151.9	165.5	-59.7	0	0	0	0	115
682	L	33.1	Very low	33.6	Very low	159 Å²	159	132.1 Å²	132.1	83%	0.832	83%	0.83	S	S	*	*			cis	-162.4	-176.4	8.3	-120.3	166.9	0	0	0	109.6
683	L	33.8	Very low	33.9	Very low	171 Å²	171	132.7 Å²	132.7	90%	0.895	83%	0.828	S	S	*	*			trans	88.1	110.2	-175.2	-55.5	174.7	0	0	0	114.1
684	A	30.4	Very low	34.6	Very low	105 Å²	105	128.5 Å²	128.5	87%	0.868	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-103.7	144.7	177.7	0	0	0	0	0	111.3
685	E	31.8	Very low	35.6	Very low	185 Å²	185	131.5 Å²	131.5	86%	0.864	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-81	159.9	172.3	-70.8	-156.4	113.3	0	0	111.9
686	P	34.3	Very low	36.9	Very low	121 Å²	121	124.5 Å²	124.5	79%	0.786	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-68.3	148.6	-178.6	27.5	-36	0	0	0	113.8
687	A	28.1	Very low	38.9	Very low	91 Å²	91	123.9 Å²	123.9	75%	0.752	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-64	156.1	170.6	0	0	0	0	0	112.1
688	P	39.2	Very low	40.3	Very low	126 Å²	126	121.2 Å²	121.2	82%	0.818	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-72.1	156.8	-167.9	29.2	-36.3	0	0	0	114	A690	P688-A690 PolarHBondContact O-N 3.27Å
689	A	31.8	Very low	42.3	Very low	101 Å²	101	120.8 Å²	120.8	84%	0.835	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-65.9	124.8	176.1	0	0	0	0	0	111.6
690	A	32.4	Very low	44.6	Very low	95 Å²	95	113.8 Å²	113.8	79%	0.785	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-64.4	149.4	166.9	0	0	0	0	0	110.8	P688 A692	P688-A690 PolarHBondContact O-N 3.27Å; A690-A692 PolarHBondContact O-N 2.83Å; A690-A692 VanDerWaalsContact O-N 3.07Å
691	L	41	Very low	46.8	Very low	171 Å²	171	114.7 Å²	114.7	90%	0.895	69%	0.689	S	S	*	*			trans	-64.8	107.5	-179.5	-63.9	169.7	0	0	0	110.3	E693	L691-E693 PolarHBondContact O-N 3.28Å; L691-E693 VanDerWaalsContact O-N 3.17Å
692	A	34.9	Very low	48.6	Very low	96 Å²	96	113.8 Å²	113.8	79%	0.793	68%	0.676	S	S	*	*			trans	-78.4	96	171.6	0	0	0	0	0	109	A690	A690-A692 PolarHBondContact O-N 2.83Å; A690-A692 VanDerWaalsContact O-N 3.07Å
693	E	37.8	Very low	50.6	Low	184 Å²	184	108.8 Å²	108.8	86%	0.86	65%	0.653	S	S	*	*			trans	-53.8	139.2	-172.1	-67	-150.5	131.4	0	0	113.7	L691 E695	L691-E693 PolarHBondContact O-N 3.28Å; L691-E693 VanDerWaalsContact O-N 3.17Å; E693-E695 PolarHBondContact O-N 3.29Å
694	E	48.8	Very low	52.5	Low	163 Å²	163	102.9 Å²	102.9	76%	0.762	63%	0.634	S	S	*	*			trans	-76.5	93.7	-172.9	-59.3	-171.2	145.7	0	0	111.3	S696	E694-S696 PolarHBondContact O-N 3.05Å
695	E	51.7	Low	54.7	Low	153 Å²	153	102.9 Å²	102.9	72%	0.715	61%	0.614	S	S	*	*			trans	-63.2	81.5	164.6	-80.1	-148.3	127	0	0	110.7	E693	E693-E695 PolarHBondContact O-N 3.29Å
696	S	57	Low	56.7	Low	72 Å²	72	98 Å²	98	50%	0.503	60%	0.597	S	S	.	*			trans	-57.6	131.3	176.3	-82.4	0	0	0	0	110.4	E694 W698	E694-S696 PolarHBondContact O-N 3.05Å; S696-W698 PolarHBondContact O-N 3.27Å; S696-W698 PolarHBondContact O-NE1 3.37Å
697	P	72.2	Confident	59	Low	59 Å²	59	94.3 Å²	94.3	38%	0.383	57%	0.569	S	S	.	*			trans	-57.1	126.1	176.9	-25.3	34.6	0	0	0	111.1	I699	P697-I699 WeakPolarHBondContact O-CG1 3.09Å; P697-I699 PolarHBondContact O-N 2.79Å
698	W	76.4	Confident	61.2	Low	68 Å²	68	93.6 Å²	93.6	26%	0.258	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-75.5	97.4	-170.8	-61.4	90.2	0	0	0	110.3	S696 F707 R710 L713	S696-W698 PolarHBondContact O-N 3.27Å; S696-W698 PolarHBondContact O-NE1 3.37Å; W698-F707 HydrophobicContact CB-CB 4.42Å; W698-F707 WeakPolarHBondContact CB-O 3.47Å; W698-F707 PolarHBondContact N-O 3.27Å; W698-F707 PolarHBondContact O-N 3.4Å; W698-R710 HydrophobicContact CD2-CB 3.62Å; W698-R710 HydrophobicContact CD2-CG 3.86Å; W698-R710 HydrophobicContact CE3-CB 3.99Å; W698-R710 HydrophobicContact CE3-CG 3.65Å; W698-R710 HydrophobicContact CG-CB 4.07Å; W698-R710 HydrophobicContact CH2-CB 4.39Å; W698-R710 HydrophobicContact CH2-CG 4.19Å; W698-R710 HydrophobicContact CZ2-CB 4.01Å; W698-R710 HydrophobicContact CZ2-CG 4.33Å; W698-R710 HydrophobicContact CZ3-CB 4.36Å; W698-R710 HydrophobicContact CZ3-CG 3.84Å; W698-L713 HydrophobicContact CB-CB 3.71Å; W698-L713 HydrophobicContact CB-CD2 3.77Å; W698-L713 HydrophobicContact CB-CG 4.35Å; W698-L713 HydrophobicContact CE3-CD2 4.41Å
699	I	74.9	Confident	63.2	Low	82 Å²	82	96.8 Å²	96.8	42%	0.421	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.8	136.5	-178.3	-40.5	-164.4	0	0	0	110.3	P697 T706 L713	P697-I699 WeakPolarHBondContact O-CG1 3.09Å; P697-I699 PolarHBondContact O-N 2.79Å; I699-T706 HydrophobicContact CB-CG2 4.46Å; I699-T706 HydrophobicContact CD1-CG2 4.13Å; I699-T706 HydrophobicContact CG1-CG2 3.98Å; I699-T706 HydrophobicContact CG2-CG2 4.12Å; I699-L713 WeakPolarHBondContact O-CD2 3.27Å
700	C	82.8	Confident	65.4	Low	2 Å²	2	100 Å²	100	1%	0.014	56%	0.557	C	S	.	*			trans	-78.1	122	170.2	-149.9	0	0	0	0	110.4	D702 C703 G704 K705 F707 L713 H720	C700-D702 PolarHBondContact O-N 2.98Å; C700-D702 PolarHBondContact SG-OD2 3.29Å; C700-C703 VanDerWaalsContact CB-SG 3.6Å; C700-G704 WeakPolarHBondContact O-CA 3.48Å; C700-G704 PolarHBondContact O-N 2.66Å; C700-K705 PolarHBondContact N-O 2.79Å; C700-F707 HydrophobicContact CB-CE2 4.35Å; C700-L713 VanDerWaalsContact CA-CD1 3.45Å; C700-L713 HydrophobicContact CB-CD1 3.54Å; C700-H720 PolarHBondContact SG-CD2 3.36Å
701	S	76.8	Confident	67.6	Low	94 Å²	94	98.5 Å²	98.5	66%	0.657	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	-46.2	171.9	35.9	0	0	0	0	112.2	C703	S701-C703 PolarHBondContact O-N 2.75Å
702	D	70.6	Confident	69.3	Low	92 Å²	92	92.2 Å²	92.2	49%	0.492	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-14.4	-160.1	-22.7	-61.3	0	0	0	112.7	C700 H720	C700-D702 PolarHBondContact O-N 2.98Å; C700-D702 PolarHBondContact SG-OD2 3.29Å; D702-H720 HydrophobicContact CB-CB 4.12Å; D702-H720 IonicContact OD2-CD2 3.66Å; D702-H720 PolarHBondContact OD2-CD2 2.85Å; D702-H720 IonicContact OD2-CG 3.22Å
703	C	75.8	Confident	71.4	Confident	54 Å²	54	88.1 Å²	88.1	37%	0.365	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.4	-4.5	-175.9	77	0	0	0	0	115.5	C700 S701 K705 H716	C700-C703 VanDerWaalsContact CB-SG 3.6Å; S701-C703 PolarHBondContact O-N 2.75Å; C703-K705 PolarHBondContact O-N 2.81Å; C703-K705 VanDerWaalsContact O-N 3.17Å; C703-K705 PolarHBondContact SG-N 2.87Å; C703-H716 PolarHBondContact SG-NE2 3.22Å
704	G	73.1	Confident	73.2	Confident	47 Å²	47	81.6 Å²	81.6	49%	0.485	46%	0.459	S	S	.	.			trans	68	5.9	-180	0	0	0	0	0	116.2	C700	C700-G704 WeakPolarHBondContact O-CA 3.48Å; C700-G704 PolarHBondContact O-N 2.66Å
705	K	76.8	Confident	74.5	Confident	104 Å²	104	79.1 Å²	79.1	45%	0.452	45%	0.446	S	S	.	.			trans	-67.2	134.3	174.4	-68.3	-177.8	-178.4	-174.9	0	109.5	C700 C703 F707	C700-K705 PolarHBondContact N-O 2.79Å; C703-K705 PolarHBondContact O-N 2.81Å; C703-K705 VanDerWaalsContact O-N 3.17Å; C703-K705 PolarHBondContact SG-N 2.87Å; K705-F707 HydrophobicContact CB-CE2 3.64Å; K705-F707 HydrophobicContact CB-CZ 3.78Å; K705-F707 WeakPolarHBondContact O-CD2 3.18Å; K705-F707 VanDerWaalsContact O-CE2 3.32Å; K705-F707 WeakPolarHBondContact O-CE2 3.5Å
706	T	73.8	Confident	75.7	Confident	82 Å²	82	72.9 Å²	72.9	50%	0.503	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	133.5	-175.6	56.6	0	0	0	0	111.4	I699	I699-T706 HydrophobicContact CB-CG2 4.46Å; I699-T706 HydrophobicContact CD1-CG2 4.13Å; I699-T706 HydrophobicContact CG1-CG2 3.98Å; I699-T706 HydrophobicContact CG2-CG2 4.12Å
707	F	82.3	Confident	76.5	Confident	44 Å²	44	72.8 Å²	72.8	19%	0.193	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134	-174.8	-61.9	-86.5	0	0	0	111.4	W698 C700 K705 R709 A712 L713 H716	W698-F707 HydrophobicContact CB-CB 4.42Å; W698-F707 WeakPolarHBondContact CB-O 3.47Å; W698-F707 PolarHBondContact N-O 3.27Å; W698-F707 PolarHBondContact O-N 3.4Å; C700-F707 HydrophobicContact CB-CE2 4.35Å; K705-F707 HydrophobicContact CB-CE2 3.64Å; K705-F707 HydrophobicContact CB-CZ 3.78Å; K705-F707 WeakPolarHBondContact O-CD2 3.18Å; K705-F707 VanDerWaalsContact O-CE2 3.32Å; K705-F707 WeakPolarHBondContact O-CE2 3.5Å; F707-R709 PolarHBondContact O-N 2.91Å; F707-R709 VanDerWaalsContact O-N 3.13Å; F707-A712 HydrophobicContact CB-CB 4.08Å; F707-A712 HydrophobicContact CD1-CB 4.09Å; F707-A712 HydrophobicContact CG-CB 4.43Å; F707-L713 HydrophobicContact CB-CB 4.08Å; F707-L713 HydrophobicContact CD2-CB 4.01Å; F707-L713 HydrophobicContact CD2-CD1 3.82Å; F707-L713 HydrophobicContact CE2-CD1 4.16Å; F707-L713 HydrophobicContact CG-CB 4.23Å; F707-H716 HydrophobicContact CE1-CB 3.91Å; F707-H716 HydrophobicContact CE2-CB 3.83Å; F707-H716 AromaticContact CE2-CD2 3.38Å; F707-H716 WeakPolarHBondContact CE2-CD2 3.15Å; F707-H716 AromaticContact CE2-CG 3.75Å; F707-H716 HydrophobicContact CZ-CB 3.44Å; F707-H716 VanDerWaalsContact CZ-CB 3.44Å; F707-H716 AromaticContact CZ-CD2 3.32Å; F707-H716 WeakPolarHBondContact CZ-CD2 3.47Å; F707-H716 AromaticContact CZ-CG 3.3Å
708	G	75.3	Confident	76.7	Confident	77 Å²	77	74.3 Å²	74.3	79%	0.794	41%	0.406	S	S	*	.	S	Bend	trans	-75.3	7.5	-179	0	0	0	0	0	115.7
709	R	81.7	Confident	76.3	Confident	192 Å²	192	75.9 Å²	75.9	73%	0.725	41%	0.413	S	S	*	.	S	Bend	trans	-156.7	141.4	177.6	-63.9	-172.4	179.2	171.8	-2.4	110.1	F707 A711 A712 L713	F707-R709 PolarHBondContact O-N 2.91Å; F707-R709 VanDerWaalsContact O-N 3.13Å; R709-A711 VanDerWaalsContact C-N 3.27Å; R709-A711 PolarHBondContact O-N 3.26Å; R709-A712 HydrophobicContact CB-CB 4.32Å; R709-A712 WeakPolarHBondContact O-CB 3.44Å; R709-A712 PolarHBondContact O-N 2.72Å; R709-L713 PolarHBondContact O-N 3.01Å; R709-L713 VanDerWaalsContact O-N 3.17Å
710	R	78.3	Confident	76.1	Confident	169 Å²	169	75.9 Å²	75.9	64%	0.638	41%	0.411	S	S	*	.	H	α-helix	trans	-56.2	-40.8	175.8	-164.8	172.2	-175.7	144	-1.1	112.3	W698 A712 L713 A714	W698-R710 HydrophobicContact CD2-CB 3.62Å; W698-R710 HydrophobicContact CD2-CG 3.86Å; W698-R710 HydrophobicContact CE3-CB 3.99Å; W698-R710 HydrophobicContact CE3-CG 3.65Å; W698-R710 HydrophobicContact CG-CB 4.07Å; W698-R710 HydrophobicContact CH2-CB 4.39Å; W698-R710 HydrophobicContact CH2-CG 4.19Å; W698-R710 HydrophobicContact CZ2-CB 4.01Å; W698-R710 HydrophobicContact CZ2-CG 4.33Å; W698-R710 HydrophobicContact CZ3-CB 4.36Å; W698-R710 HydrophobicContact CZ3-CG 3.84Å; R710-A712 PolarHBondContact O-N 3.18Å; R710-L713 PolarHBondContact O-N 3.1Å; R710-A714 WeakPolarHBondContact O-CB 3.27Å; R710-A714 PolarHBondContact O-N 3.41Å
711	A	77.5	Confident	75.6	Confident	63 Å²	63	79.1 Å²	79.1	52%	0.521	44%	0.438	S	S	.	.	H	α-helix	trans	-65.3	-17.8	176.4	0	0	0	0	0	114.6	R709 K715	R709-A711 VanDerWaalsContact C-N 3.27Å; R709-A711 PolarHBondContact O-N 3.26Å; A711-K715 WeakPolarHBondContact O-CB 3.32Å; A711-K715 VanDerWaalsContact O-CD 3.3Å; A711-K715 WeakPolarHBondContact O-CD 3.22Å; A711-K715 WeakPolarHBondContact O-CG 3.45Å
712	A	76.1	Confident	75.1	Confident	39 Å²	39	77 Å²	77	32%	0.322	43%	0.431	S	S	.	.	H	α-helix	trans	-88.3	-37	172.5	0	0	0	0	0	111.5	F707 R709 R710 H716	F707-A712 HydrophobicContact CB-CB 4.08Å; F707-A712 HydrophobicContact CD1-CB 4.09Å; F707-A712 HydrophobicContact CG-CB 4.43Å; R709-A712 HydrophobicContact CB-CB 4.32Å; R709-A712 WeakPolarHBondContact O-CB 3.44Å; R709-A712 PolarHBondContact O-N 2.72Å; R710-A712 PolarHBondContact O-N 3.18Å; A712-H716 PolarHBondContact O-N 3.41Å; A712-H716 VanDerWaalsContact O-N 3.12Å
713	L	80.1	Confident	75.1	Confident	11 Å²	11	77.1 Å²	77.1	6%	0.058	43%	0.428	C	S	.	.	H	α-helix	trans	-61	-50.8	168.9	171.5	60.4	0	0	0	111.2	W698 I699 C700 F707 R709 R710 K715 H716 Q717	W698-L713 HydrophobicContact CB-CB 3.71Å; W698-L713 HydrophobicContact CB-CD2 3.77Å; W698-L713 HydrophobicContact CB-CG 4.35Å; W698-L713 HydrophobicContact CE3-CD2 4.41Å; I699-L713 WeakPolarHBondContact O-CD2 3.27Å; C700-L713 VanDerWaalsContact CA-CD1 3.45Å; C700-L713 HydrophobicContact CB-CD1 3.54Å; F707-L713 HydrophobicContact CB-CB 4.08Å; F707-L713 HydrophobicContact CD2-CB 4.01Å; F707-L713 HydrophobicContact CD2-CD1 3.82Å; F707-L713 HydrophobicContact CE2-CD1 4.16Å; F707-L713 HydrophobicContact CG-CB 4.23Å; R709-L713 PolarHBondContact O-N 3.01Å; R709-L713 VanDerWaalsContact O-N 3.17Å; R710-L713 PolarHBondContact O-N 3.1Å; L713-K715 VanDerWaalsContact C-N 3.28Å; L713-K715 PolarHBondContact O-N 3.14Å; L713-H716 CarbonylContact O-C 3.57Å; L713-H716 WeakPolarHBondContact O-CA 3.33Å; L713-H716 WeakPolarHBondContact O-CB 3.45Å; L713-H716 PolarHBondContact O-N 3.16Å; L713-Q717 HydrophobicContact CD1-CG 3.79Å; L713-Q717 HydrophobicContact CG-CG 4.16Å; L713-Q717 PolarHBondContact O-N 2.64Å
714	A	76.1	Confident	75	Confident	46 Å²	46	78.5 Å²	78.5	38%	0.38	43%	0.426	S	S	.	.	H	α-helix	trans	-58.4	-40	-179.9	0	0	0	0	0	112.1	R710 H716 Q717 R718	R710-A714 WeakPolarHBondContact O-CB 3.27Å; R710-A714 PolarHBondContact O-N 3.41Å; A714-H716 PolarHBondContact O-N 2.7Å; A714-Q717 PolarHBondContact O-N 3.11Å; A714-R718 PolarHBondContact O-N 2.91Å
715	K	74.5	Confident	75.1	Confident	111 Å²	111	79.9 Å²	79.9	48%	0.483	43%	0.427	S	S	.	.	H	α-helix	trans	-64.9	-26.1	172.7	-77.9	175.1	-172.6	179	0	113.5	A711 L713 Y737	A711-K715 WeakPolarHBondContact O-CB 3.32Å; A711-K715 VanDerWaalsContact O-CD 3.3Å; A711-K715 WeakPolarHBondContact O-CD 3.22Å; A711-K715 WeakPolarHBondContact O-CG 3.45Å; L713-K715 VanDerWaalsContact C-N 3.28Å; L713-K715 PolarHBondContact O-N 3.14Å; K715-Y737 HydrophobicContact CB-CE1 4.04Å; K715-Y737 HydrophobicContact CG-CE1 4.39Å; K715-Y737 PolarHBondContact O-OH 3.38Å
716	H	77.1	Confident	75.3	Confident	23 Å²	23	78.3 Å²	78.3	11%	0.106	42%	0.42	C	S	.	.	H	α-helix	trans	-84	-38.1	173.7	-177.9	50.4	0	0	0	113.2	C703 F707 A712 L713 A714 R718 Y719 H720	C703-H716 PolarHBondContact SG-NE2 3.22Å; F707-H716 HydrophobicContact CE1-CB 3.91Å; F707-H716 HydrophobicContact CE2-CB 3.83Å; F707-H716 AromaticContact CE2-CD2 3.38Å; F707-H716 WeakPolarHBondContact CE2-CD2 3.15Å; F707-H716 AromaticContact CE2-CG 3.75Å; F707-H716 HydrophobicContact CZ-CB 3.44Å; F707-H716 VanDerWaalsContact CZ-CB 3.44Å; F707-H716 AromaticContact CZ-CD2 3.32Å; F707-H716 WeakPolarHBondContact CZ-CD2 3.47Å; F707-H716 AromaticContact CZ-CG 3.3Å; A712-H716 PolarHBondContact O-N 3.41Å; A712-H716 VanDerWaalsContact O-N 3.12Å; L713-H716 CarbonylContact O-C 3.57Å; L713-H716 WeakPolarHBondContact O-CA 3.33Å; L713-H716 WeakPolarHBondContact O-CB 3.45Å; L713-H716 PolarHBondContact O-N 3.16Å; A714-H716 PolarHBondContact O-N 2.7Å; H716-R718 PolarHBondContact O-N 3.47Å; H716-R718 VanDerWaalsContact O-N 3.15Å; H716-Y719 WeakPolarHBondContact O-CB 3.42Å; H716-Y719 WeakPolarHBondContact O-CD2 3.34Å; H716-Y719 PolarHBondContact O-N 3.15Å; H716-H720 AromaticContact CD2-NE2 3.7Å; H716-H720 AromaticContact CE1-CE1 3.99Å; H716-H720 AromaticContact CE1-NE2 3.6Å; H716-H720 AromaticContact NE2-CE1 3.76Å; H716-H720 AromaticContact NE2-NE2 3.07Å; H716-H720 PolarHBondContact NE2-NE2 3.11Å
717	Q	74.2	Confident	75.5	Confident	70 Å²	70	82.8 Å²	82.8	33%	0.327	43%	0.428	S	S	.	.	H	α-helix	trans	-58.4	-28.8	178.2	-75.2	172.7	-58.4	0	0	112.5	L713 A714 Y719 H720 A721	L713-Q717 HydrophobicContact CD1-CG 3.79Å; L713-Q717 HydrophobicContact CG-CG 4.16Å; L713-Q717 PolarHBondContact O-N 2.64Å; A714-Q717 PolarHBondContact O-N 3.11Å; Q717-Y719 PolarHBondContact O-N 3.34Å; Q717-Y719 VanDerWaalsContact O-N 3.1Å; Q717-H720 PolarHBondContact O-N 2.97Å; Q717-A721 PolarHBondContact O-N 3.2Å
718	R	76.6	Confident	75.6	Confident	90 Å²	90	80.7 Å²	80.7	34%	0.34	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-23.1	170	-67.4	-169.9	167.2	153.7	6.9	115.3	A714 H716 G722 E723 V736	A714-R718 PolarHBondContact O-N 2.91Å; H716-R718 PolarHBondContact O-N 3.47Å; H716-R718 VanDerWaalsContact O-N 3.15Å; R718-G722 PolarHBondContact O-N 3.22Å; R718-E723 HydrophobicContact CB-CB 3.9Å; R718-E723 WeakPolarHBondContact CD-OE2 3.38Å; R718-E723 HydrophobicContact CG-CB 3.87Å; R718-E723 WeakPolarHBondContact CG-OE2 3.29Å; R718-E723 IonicContact CZ-OE2 2.66Å; R718-E723 IonicContact NE-OE2 2.61Å; R718-E723 PolarHBondContact NE-OE2 2.88Å; R718-E723 IonicContact NH2-OE2 2.94Å; R718-E723 PolarHBondContact O-N 3.09Å; R718-V736 HydrophobicContact CB-CG1 3.57Å
719	Y	67.4	Low	75.8	Confident	102 Å²	102	81.8 Å²	81.8	40%	0.4	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-30.7	173.9	-74	-101.5	0	0	0	112.5	H716 Q717 V736 Y737	H716-Y719 WeakPolarHBondContact O-CB 3.42Å; H716-Y719 WeakPolarHBondContact O-CD2 3.34Å; H716-Y719 PolarHBondContact O-N 3.15Å; Q717-Y719 PolarHBondContact O-N 3.34Å; Q717-Y719 VanDerWaalsContact O-N 3.1Å; Y719-V736 HydrophobicContact CD1-CG2 4.19Å; Y719-V736 HydrophobicContact CD2-CB 4.46Å; Y719-V736 HydrophobicContact CD2-CG1 3.87Å; Y719-V736 HydrophobicContact CD2-CG2 4.32Å; Y719-V736 HydrophobicContact CE1-CB 4.48Å; Y719-V736 HydrophobicContact CE1-CG2 4.09Å; Y719-V736 HydrophobicContact CE2-CB 3.98Å; Y719-V736 HydrophobicContact CE2-CG1 3.56Å; Y719-V736 HydrophobicContact CE2-CG2 4.21Å; Y719-V736 HydrophobicContact CG-CG2 4.31Å; Y719-Y737 HydrophobicContact CE2-CE1 4.47Å; Y719-Y737 HydrophobicContact CE2-CE2 4.02Å; Y719-Y737 AromaticContact CE2-CZ 3.81Å; Y719-Y737 WeakPolarHBondContact OH-CE2 3.21Å
720	H	72.3	Confident	75.4	Confident	82 Å²	82	77 Å²	77	38%	0.38	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-37.5	178.5	-49.8	-55.4	0	0	0	111.5	C700 D702 H716 Q717 G722	C700-H720 PolarHBondContact SG-CD2 3.36Å; D702-H720 HydrophobicContact CB-CB 4.12Å; D702-H720 IonicContact OD2-CD2 3.66Å; D702-H720 PolarHBondContact OD2-CD2 2.85Å; D702-H720 IonicContact OD2-CG 3.22Å; H716-H720 AromaticContact CD2-NE2 3.7Å; H716-H720 AromaticContact CE1-CE1 3.99Å; H716-H720 AromaticContact CE1-NE2 3.6Å; H716-H720 AromaticContact NE2-CE1 3.76Å; H716-H720 AromaticContact NE2-NE2 3.07Å; H716-H720 PolarHBondContact NE2-NE2 3.11Å; Q717-H720 PolarHBondContact O-N 2.97Å; H720-G722 PolarHBondContact O-N 3.11Å
721	A	70.4	Confident	75.3	Confident	70 Å²	70	71.3 Å²	71.3	58%	0.579	40%	0.395	S	S	*	.	S	Bend	trans	-72.5	-1.3	174.8	0	0	0	0	0	114.2	Q717 E723	Q717-A721 PolarHBondContact O-N 3.2Å; A721-E723 HydrophobicContact CB-CG 4.4Å; A721-E723 PolarHBondContact O-N 3.41Å
722	G	66.9	Low	75.2	Confident	49 Å²	49	69.6 Å²	69.6	51%	0.505	38%	0.384	S	S	.	.			trans	67.8	-1.9	-176.9	0	0	0	0	0	115.5	R718 H720 R724	R718-G722 PolarHBondContact O-N 3.22Å; H720-G722 PolarHBondContact O-N 3.11Å; G722-R724 WeakPolarHBondContact O-CG 3.5Å; G722-R724 PolarHBondContact O-N 2.71Å; G722-R724 VanDerWaalsContact O-N 3.07Å
723	E	69.9	Low	75.2	Confident	94 Å²	94	72.3 Å²	72.3	44%	0.439	39%	0.388	S	S	.	.			trans	-56.2	109.9	179.7	-82.9	-172.6	-148.6	0	0	111.8	R718 A721 P725	R718-E723 HydrophobicContact CB-CB 3.9Å; R718-E723 WeakPolarHBondContact CD-OE2 3.38Å; R718-E723 HydrophobicContact CG-CB 3.87Å; R718-E723 WeakPolarHBondContact CG-OE2 3.29Å; R718-E723 IonicContact CZ-OE2 2.66Å; R718-E723 IonicContact NE-OE2 2.61Å; R718-E723 PolarHBondContact NE-OE2 2.88Å; R718-E723 IonicContact NH2-OE2 2.94Å; R718-E723 PolarHBondContact O-N 3.09Å; A721-E723 HydrophobicContact CB-CG 4.4Å; A721-E723 PolarHBondContact O-N 3.41Å; E723-P725 WeakPolarHBondContact O-CD 3.34Å
724	R	74.5	Confident	75.1	Confident	83 Å²	83	73.4 Å²	73.4	31%	0.313	40%	0.396	S	S	.	.			trans	-125.6	69.9	178.3	-67.4	162.8	79.1	146.6	0.4	110.3	F259 G722 H726 S734 F735 V736	F259-R724 VanDerWaalsContact CE2-NH1 3.26Å; G722-R724 WeakPolarHBondContact O-CG 3.5Å; G722-R724 PolarHBondContact O-N 2.71Å; G722-R724 VanDerWaalsContact O-N 3.07Å; R724-H726 PolarHBondContact O-N 3.18Å; R724-H726 VanDerWaalsContact O-N 3.08Å; R724-S734 VanDerWaalsContact CZ-O 3.3Å; R724-S734 PolarHBondContact NE-O 2.66Å; R724-S734 PolarHBondContact NH2-O 3.36Å; R724-S734 WeakPolarHBondContact O-CB 3.27Å; R724-F735 CarbonylContact C-O 3.19Å; R724-F735 VanDerWaalsContact C-O 3.25Å; R724-F735 WeakPolarHBondContact CA-O 3.42Å; R724-V736 HydrophobicContact CG-CG2 3.88Å
725	P	76.3	Confident	75.3	Confident	77 Å²	77	73.1 Å²	73.1	50%	0.5	39%	0.387	S	S	.	.			trans	-64.4	-20	-168.2	-22.7	35.1	0	0	0	114.7	E723 R727	E723-P725 WeakPolarHBondContact O-CD 3.34Å; P725-R727 PolarHBondContact O-N 2.7Å
726	H	79.3	Confident	75.6	Confident	70 Å²	70	68.5 Å²	68.5	32%	0.324	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	83.6	-174.1	-56.9	-77.5	0	0	0	110.8	R724 F735 G738 L741	R724-H726 PolarHBondContact O-N 3.18Å; R724-H726 VanDerWaalsContact O-N 3.08Å; H726-F735 HydrophobicContact CB-CB 4.43Å; H726-F735 WeakPolarHBondContact CB-O 3.28Å; H726-F735 PolarHBondContact N-O 3.44Å; H726-F735 PolarHBondContact O-N 3.32Å; H726-G738 PolarHBondContact CD2-N 3.37Å; H726-G738 PolarHBondContact NE2-N 3.41Å; H726-L741 HydrophobicContact CB-CB 3.96Å; H726-L741 HydrophobicContact CB-CD2 3.85Å
727	R	79.2	Confident	75.7	Confident	176 Å²	176	70.8 Å²	70.8	66%	0.664	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	136.4	176	-163.5	176.2	-171	-147.8	4.3	112.1	P725 G732 L741	P725-R727 PolarHBondContact O-N 2.7Å; R727-G732 WeakPolarHBondContact CG-O 3.47Å; R727-G732 PolarHBondContact NE-O 2.99Å; R727-L741 WeakPolarHBondContact O-CD2 3.36Å
728	C	84	Confident	75.9	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	38%	0.375	C	S	.	.			trans	-81.6	119.5	169.6	-153	0	0	0	0	109.7	D730 G732 K733 L741	C728-D730 VanDerWaalsContact C-N 3.29Å; C728-D730 PolarHBondContact O-N 2.82Å; C728-D730 PolarHBondContact SG-OD2 3.11Å; C728-G732 VanDerWaalsContact O-CA 3.28Å; C728-G732 WeakPolarHBondContact O-CA 3.36Å; C728-G732 PolarHBondContact O-N 2.98Å; C728-K733 VanDerWaalsContact CB-O 3.3Å; C728-K733 WeakPolarHBondContact CB-O 3.3Å; C728-K733 PolarHBondContact N-O 3.19Å; C728-L741 HydrophobicContact CB-CD1 3.48Å; C728-L741 VanDerWaalsContact CB-CD1 3.48Å
729	A	79	Confident	76	Confident	100 Å²	100	68.3 Å²	68.3	83%	0.826	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-42.7	175.5	0	0	0	0	0	111.4	C731	A729-C731 VanDerWaalsContact C-N 3.25Å; A729-C731 PolarHBondContact O-N 2.84Å; A729-C731 VanDerWaalsContact O-N 3.17Å
730	D	73.2	Confident	76.6	Confident	92 Å²	92	66 Å²	66	49%	0.492	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-13.8	-169.8	-32.6	-76.8	0	0	0	114.7	C728 H748	C728-D730 VanDerWaalsContact C-N 3.29Å; C728-D730 PolarHBondContact O-N 2.82Å; C728-D730 PolarHBondContact SG-OD2 3.11Å; D730-H748 HydrophobicContact CB-CB 4.22Å; D730-H748 IonicContact OD2-CD2 3.91Å; D730-H748 PolarHBondContact OD2-CD2 3.32Å
731	C	76.3	Confident	77.1	Confident	50 Å²	50	63.3 Å²	63.3	34%	0.338	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.7	15.6	-177.7	77.4	0	0	0	0	115	A729 K733 H744 H748	A729-C731 VanDerWaalsContact C-N 3.25Å; A729-C731 PolarHBondContact O-N 2.84Å; A729-C731 VanDerWaalsContact O-N 3.17Å; C731-K733 PolarHBondContact O-N 2.84Å; C731-H744 PolarHBondContact SG-NE2 3.48Å; C731-H748 VanDerWaalsContact SG-CE1 3.52Å; C731-H748 PolarHBondContact SG-NE2 2.89Å
732	G	75.8	Confident	77.4	Confident	27 Å²	27	62.3 Å²	62.3	28%	0.278	36%	0.358	S	S	.	.			trans	67.8	-11.6	179.3	0	0	0	0	0	117.4	R727 C728 S734	R727-G732 WeakPolarHBondContact CG-O 3.47Å; R727-G732 PolarHBondContact NE-O 2.99Å; C728-G732 VanDerWaalsContact O-CA 3.28Å; C728-G732 WeakPolarHBondContact O-CA 3.36Å; C728-G732 PolarHBondContact O-N 2.98Å; G732-S734 PolarHBondContact O-N 3Å
733	K	76.3	Confident	78	Confident	95 Å²	95	63.8 Å²	63.8	41%	0.413	35%	0.348	S	S	.	.			trans	-68.4	124.4	-172.1	-70	-179.4	-177.1	-175.4	0	112.2	C728 C731 F735	C728-K733 VanDerWaalsContact CB-O 3.3Å; C728-K733 WeakPolarHBondContact CB-O 3.3Å; C728-K733 PolarHBondContact N-O 3.19Å; C731-K733 PolarHBondContact O-N 2.84Å; K733-F735 HydrophobicContact CB-CE2 3.94Å; K733-F735 HydrophobicContact CB-CZ 4.16Å; K733-F735 WeakPolarHBondContact O-CD2 3.2Å; K733-F735 VanDerWaalsContact O-CE2 3.25Å; K733-F735 WeakPolarHBondContact O-CE2 3.08Å
734	S	78.2	Confident	78.4	Confident	34 Å²	34	60.7 Å²	60.7	24%	0.238	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	145.5	-177.9	-56.3	0	0	0	0	113	R724 G732	R724-S734 VanDerWaalsContact CZ-O 3.3Å; R724-S734 PolarHBondContact NE-O 2.66Å; R724-S734 PolarHBondContact NH2-O 3.36Å; R724-S734 WeakPolarHBondContact O-CB 3.27Å; G732-S734 PolarHBondContact O-N 3Å
735	F	80.8	Confident	78.5	Confident	41 Å²	41	63 Å²	63	18%	0.18	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	146	-179.1	-61	-88.9	0	0	0	112.2	R724 H726 K733 Y737 H740 L741 H744	R724-F735 CarbonylContact C-O 3.19Å; R724-F735 VanDerWaalsContact C-O 3.25Å; R724-F735 WeakPolarHBondContact CA-O 3.42Å; H726-F735 HydrophobicContact CB-CB 4.43Å; H726-F735 WeakPolarHBondContact CB-O 3.28Å; H726-F735 PolarHBondContact N-O 3.44Å; H726-F735 PolarHBondContact O-N 3.32Å; K733-F735 HydrophobicContact CB-CE2 3.94Å; K733-F735 HydrophobicContact CB-CZ 4.16Å; K733-F735 WeakPolarHBondContact O-CD2 3.2Å; K733-F735 VanDerWaalsContact O-CE2 3.25Å; K733-F735 WeakPolarHBondContact O-CE2 3.08Å; F735-Y737 VanDerWaalsContact C-N 3.27Å; F735-Y737 PolarHBondContact O-N 3.48Å; F735-H740 HydrophobicContact CB-CB 4.15Å; F735-H740 HydrophobicContact CD1-CB 3.93Å; F735-H740 HydrophobicContact CG-CB 4.27Å; F735-L741 HydrophobicContact CB-CB 4.41Å; F735-L741 HydrophobicContact CD2-CB 4.04Å; F735-L741 HydrophobicContact CD2-CD1 4.04Å; F735-L741 HydrophobicContact CE2-CD1 4.27Å; F735-L741 HydrophobicContact CG-CB 4.44Å; F735-H744 HydrophobicContact CE1-CB 4.25Å; F735-H744 HydrophobicContact CE2-CB 3.91Å; F735-H744 AromaticContact CE2-CD2 3.27Å; F735-H744 WeakPolarHBondContact CE2-CD2 3.42Å; F735-H744 AromaticContact CE2-CG 3.74Å; F735-H744 HydrophobicContact CZ-CB 3.64Å; F735-H744 AromaticContact CZ-CD2 3.35Å; F735-H744 WeakPolarHBondContact CZ-CD2 3.37Å; F735-H744 AromaticContact CZ-CG 3.42Å; F735-H744 VanDerWaalsContact CZ-CG 3.42Å
736	V	79.7	Confident	78.7	Confident	14 Å²	14	63.3 Å²	63.3	9%	0.085	33%	0.333	C	S	.	.	S	Bend	trans	-66.7	-28.4	176.1	-173.4	0	0	0	0	112.1	R718 Y719 R724	R718-V736 HydrophobicContact CB-CG1 3.57Å; Y719-V736 HydrophobicContact CD1-CG2 4.19Å; Y719-V736 HydrophobicContact CD2-CB 4.46Å; Y719-V736 HydrophobicContact CD2-CG1 3.87Å; Y719-V736 HydrophobicContact CD2-CG2 4.32Å; Y719-V736 HydrophobicContact CE1-CB 4.48Å; Y719-V736 HydrophobicContact CE1-CG2 4.09Å; Y719-V736 HydrophobicContact CE2-CB 3.98Å; Y719-V736 HydrophobicContact CE2-CG1 3.56Å; Y719-V736 HydrophobicContact CE2-CG2 4.21Å; Y719-V736 HydrophobicContact CG-CG2 4.31Å; R724-V736 HydrophobicContact CG-CG2 3.88Å
737	Y	79.4	Confident	78.3	Confident	71 Å²	71	64.4 Å²	64.4	28%	0.278	35%	0.345	S	S	.	.	S	Bend	trans	-128	137.2	-179	-59.1	-38.1	0	0	0	113	K715 Y719 F735 S739 H740 L741	K715-Y737 HydrophobicContact CB-CE1 4.04Å; K715-Y737 HydrophobicContact CG-CE1 4.39Å; K715-Y737 PolarHBondContact O-OH 3.38Å; Y719-Y737 HydrophobicContact CE2-CE1 4.47Å; Y719-Y737 HydrophobicContact CE2-CE2 4.02Å; Y719-Y737 AromaticContact CE2-CZ 3.81Å; Y719-Y737 WeakPolarHBondContact OH-CE2 3.21Å; F735-Y737 VanDerWaalsContact C-N 3.27Å; F735-Y737 PolarHBondContact O-N 3.48Å; Y737-S739 PolarHBondContact O-N 2.8Å; Y737-H740 AromaticContact CD2-CE1 3.98Å; Y737-H740 WeakPolarHBondContact O-CA 3.42Å; Y737-H740 WeakPolarHBondContact O-CB 3.41Å; Y737-H740 PolarHBondContact O-N 2.81Å; Y737-L741 PolarHBondContact O-N 2.96Å; Y737-L741 VanDerWaalsContact O-N 3.13Å
738	G	77.9	Confident	78	Confident	29 Å²	29	59.7 Å²	59.7	30%	0.299	33%	0.33	S	S	.	.	H	α-helix	trans	-61	-27.9	175.5	0	0	0	0	0	113.8	H726 H740 L741 A742	H726-G738 PolarHBondContact CD2-N 3.37Å; H726-G738 PolarHBondContact NE2-N 3.41Å; G738-H740 VanDerWaalsContact C-N 3.32Å; G738-H740 PolarHBondContact O-N 2.83Å; G738-L741 PolarHBondContact O-N 3.19Å; G738-A742 WeakPolarHBondContact O-CB 3.42Å; G738-A742 PolarHBondContact O-N 3.22Å
739	S	80	Confident	77.4	Confident	78 Å²	78	63.1 Å²	63.1	55%	0.545	35%	0.351	S	S	.	.	H	α-helix	trans	-66	-32.9	171.5	58.2	0	0	0	0	112.7	Y737 R743	Y737-S739 PolarHBondContact O-N 2.8Å; S739-R743 WeakPolarHBondContact O-CB 3.36Å; S739-R743 PolarHBondContact O-N 2.89Å
740	H	79.6	Confident	76.9	Confident	55 Å²	55	60.7 Å²	60.7	26%	0.255	34%	0.336	S	S	.	.	H	α-helix	trans	-75	-38.2	175	-69.8	-166.9	0	0	0	110.8	F735 Y737 G738 R743 H744	F735-H740 HydrophobicContact CB-CB 4.15Å; F735-H740 HydrophobicContact CD1-CB 3.93Å; F735-H740 HydrophobicContact CG-CB 4.27Å; Y737-H740 AromaticContact CD2-CE1 3.98Å; Y737-H740 WeakPolarHBondContact O-CA 3.42Å; Y737-H740 WeakPolarHBondContact O-CB 3.41Å; Y737-H740 PolarHBondContact O-N 2.81Å; G738-H740 VanDerWaalsContact C-N 3.32Å; G738-H740 PolarHBondContact O-N 2.83Å; H740-R743 PolarHBondContact O-N 2.83Å; H740-H744 WeakPolarHBondContact O-CB 3.42Å; H740-H744 PolarHBondContact O-N 3.27Å
741	L	82.1	Confident	76.8	Confident	25 Å²	25	61 Å²	61	13%	0.131	33%	0.334	C	S	.	.	H	α-helix	trans	-60.8	-48.2	169.6	174.1	59.9	0	0	0	111.7	H726 R727 C728 F735 Y737 G738 R743 H744 R745	H726-L741 HydrophobicContact CB-CB 3.96Å; H726-L741 HydrophobicContact CB-CD2 3.85Å; R727-L741 WeakPolarHBondContact O-CD2 3.36Å; C728-L741 HydrophobicContact CB-CD1 3.48Å; C728-L741 VanDerWaalsContact CB-CD1 3.48Å; F735-L741 HydrophobicContact CB-CB 4.41Å; F735-L741 HydrophobicContact CD2-CB 4.04Å; F735-L741 HydrophobicContact CD2-CD1 4.04Å; F735-L741 HydrophobicContact CE2-CD1 4.27Å; F735-L741 HydrophobicContact CG-CB 4.44Å; Y737-L741 PolarHBondContact O-N 2.96Å; Y737-L741 VanDerWaalsContact O-N 3.13Å; G738-L741 PolarHBondContact O-N 3.19Å; L741-R743 VanDerWaalsContact C-N 3.31Å; L741-R743 PolarHBondContact O-N 3.13Å; L741-H744 CarbonylContact O-C 3.57Å; L741-H744 WeakPolarHBondContact O-CA 3.33Å; L741-H744 WeakPolarHBondContact O-CB 3.35Å; L741-H744 PolarHBondContact O-N 2.96Å; L741-R745 HydrophobicContact CD1-CG 3.97Å; L741-R745 HydrophobicContact CG-CG 4.38Å; L741-R745 PolarHBondContact O-N 3.15Å
742	A	77.6	Confident	76.8	Confident	49 Å²	49	64.9 Å²	64.9	41%	0.405	34%	0.342	S	S	.	.	H	α-helix	trans	-61.8	-38.4	176.8	0	0	0	0	0	112.3	G738 H744	G738-A742 WeakPolarHBondContact O-CB 3.42Å; G738-A742 PolarHBondContact O-N 3.22Å; A742-H744 PolarHBondContact O-N 2.9Å
743	R	79.2	Confident	76.9	Confident	80 Å²	80	66.2 Å²	66.2	30%	0.302	35%	0.346	S	S	.	.	H	α-helix	trans	-64.5	-27.2	171.4	-174.7	175.6	80	157.7	9.2	112.6	D256 S739 H740 L741	D256-R743 IonicContact OD2-NH2 3.77Å; S739-R743 WeakPolarHBondContact O-CB 3.36Å; S739-R743 PolarHBondContact O-N 2.89Å; H740-R743 PolarHBondContact O-N 2.83Å; L741-R743 VanDerWaalsContact C-N 3.31Å; L741-R743 PolarHBondContact O-N 3.13Å
744	H	78.2	Confident	77.1	Confident	29 Å²	29	65.1 Å²	65.1	13%	0.134	34%	0.341	C	S	.	.	H	α-helix	trans	-86.7	-39.7	178	178.5	49	0	0	0	113.3	C731 F735 H740 L741 A742 R746 T747 H748	C731-H744 PolarHBondContact SG-NE2 3.48Å; F735-H744 HydrophobicContact CE1-CB 4.25Å; F735-H744 HydrophobicContact CE2-CB 3.91Å; F735-H744 AromaticContact CE2-CD2 3.27Å; F735-H744 WeakPolarHBondContact CE2-CD2 3.42Å; F735-H744 AromaticContact CE2-CG 3.74Å; F735-H744 HydrophobicContact CZ-CB 3.64Å; F735-H744 AromaticContact CZ-CD2 3.35Å; F735-H744 WeakPolarHBondContact CZ-CD2 3.37Å; F735-H744 AromaticContact CZ-CG 3.42Å; F735-H744 VanDerWaalsContact CZ-CG 3.42Å; H740-H744 WeakPolarHBondContact O-CB 3.42Å; H740-H744 PolarHBondContact O-N 3.27Å; L741-H744 CarbonylContact O-C 3.57Å; L741-H744 WeakPolarHBondContact O-CA 3.33Å; L741-H744 WeakPolarHBondContact O-CB 3.35Å; L741-H744 PolarHBondContact O-N 2.96Å; A742-H744 PolarHBondContact O-N 2.9Å; H744-R746 PolarHBondContact O-N 3.27Å; H744-R746 VanDerWaalsContact O-N 3.08Å; H744-T747 PolarHBondContact CE1-OG1 3.19Å; H744-T747 PolarHBondContact ND1-OG1 2.75Å; H744-T747 WeakPolarHBondContact O-CB 3.27Å; H744-T747 PolarHBondContact O-N 3.22Å; H744-T747 PolarHBondContact O-OG1 3.2Å; H744-H748 AromaticContact CD2-NE2 3.84Å; H744-H748 AromaticContact CE1-CE1 3.84Å; H744-H748 AromaticContact CE1-NE2 3.61Å; H744-H748 AromaticContact NE2-CE1 3.79Å; H744-H748 AromaticContact NE2-NE2 3.22Å; H744-H748 PolarHBondContact NE2-NE2 2.81Å
745	R	77.6	Confident	77.2	Confident	130 Å²	130	66.8 Å²	66.8	49%	0.491	35%	0.351	S	S	.	.	H	α-helix	trans	-56	-30	178.2	-72.6	-178.4	70.2	-139.4	-2.3	113.1	L741 T747 H748 T749	L741-R745 HydrophobicContact CD1-CG 3.97Å; L741-R745 HydrophobicContact CG-CG 4.38Å; L741-R745 PolarHBondContact O-N 3.15Å; R745-T747 PolarHBondContact O-N 3.28Å; R745-T747 VanDerWaalsContact O-N 3.13Å; R745-H748 WeakPolarHBondContact O-CB 3.3Å; R745-H748 PolarHBondContact O-N 2.88Å; R745-T749 PolarHBondContact O-N 3.46Å
746	R	80.4	Confident	77.1	Confident	85 Å²	85	64.9 Å²	64.9	32%	0.321	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-15.6	170.2	-63.8	179.9	-173.5	158.5	6	114.9	H744 G750 E751	H744-R746 PolarHBondContact O-N 3.27Å; H744-R746 VanDerWaalsContact O-N 3.08Å; R746-G750 PolarHBondContact O-N 2.85Å; R746-E751 HydrophobicContact CB-CB 4.27Å; R746-E751 HydrophobicContact CG-CB 4.11Å; R746-E751 PolarHBondContact O-N 2.91Å
747	T	69.1	Low	76.8	Confident	93 Å²	93	69.7 Å²	69.7	57%	0.571	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-19.7	171.1	68.8	0	0	0	0	112.8	H744 R745	H744-T747 PolarHBondContact CE1-OG1 3.19Å; H744-T747 PolarHBondContact ND1-OG1 2.75Å; H744-T747 WeakPolarHBondContact O-CB 3.27Å; H744-T747 PolarHBondContact O-N 3.22Å; H744-T747 PolarHBondContact O-OG1 3.2Å; R745-T747 PolarHBondContact O-N 3.28Å; R745-T747 VanDerWaalsContact O-N 3.13Å
748	H	73.2	Confident	76.6	Confident	76 Å²	76	71.2 Å²	71.2	35%	0.352	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-46.5	175.3	-52.9	-47.3	0	0	0	111.1	D730 C731 H744 R745 G750	D730-H748 HydrophobicContact CB-CB 4.22Å; D730-H748 IonicContact OD2-CD2 3.91Å; D730-H748 PolarHBondContact OD2-CD2 3.32Å; C731-H748 VanDerWaalsContact SG-CE1 3.52Å; C731-H748 PolarHBondContact SG-NE2 2.89Å; H744-H748 AromaticContact CD2-NE2 3.84Å; H744-H748 AromaticContact CE1-CE1 3.84Å; H744-H748 AromaticContact CE1-NE2 3.61Å; H744-H748 AromaticContact NE2-CE1 3.79Å; H744-H748 AromaticContact NE2-NE2 3.22Å; H744-H748 PolarHBondContact NE2-NE2 2.81Å; R745-H748 WeakPolarHBondContact O-CB 3.3Å; R745-H748 PolarHBondContact O-N 2.88Å; H748-G750 PolarHBondContact O-N 3.28Å
749	T	71	Confident	76.3	Confident	73 Å²	73	73 Å²	73	45%	0.448	39%	0.391	S	S	.	.	S	Bend	trans	-72.8	-8.7	176	65.1	0	0	0	0	113.6	R745 E751	R745-T749 PolarHBondContact O-N 3.46Å; T749-E751 VanDerWaalsContact CB-OE1 3.26Å; T749-E751 WeakPolarHBondContact CB-OE1 3.49Å; T749-E751 PolarHBondContact O-N 3.17Å; T749-E751 VanDerWaalsContact O-N 3.1Å; T749-E751 WeakPolarHBondContact OG1-CG 3.23Å; T749-E751 PolarHBondContact OG1-OE1 3.36Å
750	G	70.2	Confident	76	Confident	49 Å²	49	71.7 Å²	71.7	51%	0.505	39%	0.39	S	S	.	.			trans	68	3.9	-177.8	0	0	0	0	0	114.6	R746 H748 R752	R746-G750 PolarHBondContact O-N 2.85Å; H748-G750 PolarHBondContact O-N 3.28Å; G750-R752 PolarHBondContact O-N 3.36Å
751	E	71.2	Confident	75.9	Confident	97 Å²	97	70.7 Å²	70.7	45%	0.453	39%	0.392	S	S	.	.			trans	-57.1	124.5	-176.3	-82.6	166.3	-118.4	0	0	112.7	R746 T749	R746-E751 HydrophobicContact CB-CB 4.27Å; R746-E751 HydrophobicContact CG-CB 4.11Å; R746-E751 PolarHBondContact O-N 2.91Å; T749-E751 VanDerWaalsContact CB-OE1 3.26Å; T749-E751 WeakPolarHBondContact CB-OE1 3.49Å; T749-E751 PolarHBondContact O-N 3.17Å; T749-E751 VanDerWaalsContact O-N 3.1Å; T749-E751 WeakPolarHBondContact OG1-CG 3.23Å; T749-E751 PolarHBondContact OG1-OE1 3.36Å
752	R	75.8	Confident	75.6	Confident	132 Å²	132	76 Å²	76	50%	0.498	41%	0.41	S	S	.	.			trans	-126.1	81.7	175.5	-67.8	164.9	78.4	157.3	1.8	108.4	G750 F754 R762 F763	G750-R752 PolarHBondContact O-N 3.36Å; R752-F754 PolarHBondContact O-N 3.23Å; R752-R762 HydrophobicContact CB-CB 3.46Å; R752-R762 VanDerWaalsContact CB-CB 3.46Å; R752-R762 PolarHBondContact NE-O 3.05Å; R752-R762 PolarHBondContact NH2-O 3.06Å; R752-R762 PolarHBondContact O-NE 3.09Å; R752-R762 PolarHBondContact O-NH2 3.09Å; R752-F763 CarbonylContact C-O 3.5Å; R752-F763 VanDerWaalsContact CA-O 3.27Å; R752-F763 WeakPolarHBondContact CA-O 3.38Å
753	P	78.2	Confident	75.7	Confident	55 Å²	55	75.4 Å²	75.4	36%	0.357	40%	0.398	S	S	.	.			trans	-69	-15.6	-172	-21.8	35.1	0	0	0	114.7	P755	P753-P755 WeakPolarHBondContact O-CD 3.27Å
754	F	80.6	Confident	75.7	Confident	73 Å²	73	73.1 Å²	73.1	32%	0.32	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	86.4	-172.6	-57	-84.2	0	0	0	110.9	R752 R762 F763 R765 L769	R752-F754 PolarHBondContact O-N 3.23Å; F754-R762 CarbonylContact O-C 3.29Å; F754-F763 HydrophobicContact CB-CB 4.28Å; F754-F763 WeakPolarHBondContact CB-O 3.35Å; F754-F763 WeakPolarHBondContact CD2-O 3.17Å; F754-F763 PolarHBondContact N-O 3.38Å; F754-F763 PolarHBondContact O-N 3.34Å; F754-R765 VanDerWaalsContact CD2-C 3.49Å; F754-L769 HydrophobicContact CB-CB 4.23Å; F754-L769 HydrophobicContact CB-CD2 3.89Å
755	P	79.4	Confident	75.7	Confident	68 Å²	68	75.7 Å²	75.7	44%	0.442	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	144.7	173.9	30.8	-35.7	0	0	0	111.7	P753 R762 L769	P753-P755 WeakPolarHBondContact O-CD 3.27Å; P755-R762 HydrophobicContact CB-CG 4.37Å; P755-L769 VanDerWaalsContact O-CD2 3.32Å; P755-L769 WeakPolarHBondContact O-CD2 3.31Å
756	C	79.8	Confident	75.7	Confident	2 Å²	2	70.9 Å²	70.9	1%	0.014	40%	0.396	C	S	.	.			trans	-83.4	124.5	165.6	-179.1	0	0	0	0	109.8	E758 G760 A761 F763 L769 H776	C756-E758 VanDerWaalsContact C-N 3.29Å; C756-E758 PolarHBondContact O-N 2.95Å; C756-G760 VanDerWaalsContact O-CA 3.31Å; C756-G760 WeakPolarHBondContact O-CA 3.49Å; C756-G760 PolarHBondContact O-N 3Å; C756-A761 HydrophobicContact CB-CB 4.44Å; C756-A761 VanDerWaalsContact CB-O 3.24Å; C756-A761 WeakPolarHBondContact CB-O 3.42Å; C756-A761 PolarHBondContact N-O 3.05Å; C756-F763 HydrophobicContact CB-CE2 4.32Å; C756-L769 HydrophobicContact CB-CD1 3.57Å; C756-H776 PolarHBondContact SG-NE2 3.23Å; C756-H776 VanDerWaalsContact SG-NE2 3.4Å
757	P	72.7	Confident	75.6	Confident	115 Å²	115	70.4 Å²	70.4	75%	0.747	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-31.1	-178.3	26	-33.6	0	0	0	112.7
758	E	74.3	Confident	76.1	Confident	103 Å²	103	70.1 Å²	70.1	48%	0.481	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-20.4	-172.7	-65.4	161.2	-87.3	0	0	114.3	C756 H776	C756-E758 VanDerWaalsContact C-N 3.29Å; C756-E758 PolarHBondContact O-N 2.95Å; E758-H776 IonicContact OE1-CD2 2.75Å; E758-H776 WeakPolarHBondContact OE2-CB 3.5Å; E758-H776 IonicContact OE2-CD2 3.4Å; E758-H776 IonicContact OE2-CG 3.57Å
759	C	72.5	Confident	76.4	Confident	66 Å²	66	67.9 Å²	67.9	45%	0.446	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144	5.1	-176.7	76.3	0	0	0	0	115.4	A761 H772 H776	C759-A761 PolarHBondContact O-N 2.95Å; C759-A761 WeakPolarHBondContact SG-CB 3.27Å; C759-H772 PolarHBondContact SG-NE2 3.2Å; C759-H776 PolarHBondContact SG-NE2 3.46Å
760	G	74.4	Confident	76.7	Confident	51 Å²	51	66.9 Å²	66.9	53%	0.526	39%	0.387	S	S	.	.			trans	68.5	-5	-178.4	0	0	0	0	0	115.6	C756 R762	C756-G760 VanDerWaalsContact O-CA 3.31Å; C756-G760 WeakPolarHBondContact O-CA 3.49Å; C756-G760 PolarHBondContact O-N 3Å; G760-R762 WeakPolarHBondContact O-CG 3.37Å; G760-R762 PolarHBondContact O-N 3.07Å; G760-R762 VanDerWaalsContact O-N 3.15Å
761	A	75.6	Confident	76.9	Confident	34 Å²	34	65.3 Å²	65.3	28%	0.281	37%	0.37	S	S	.	.			trans	-62.5	118.3	-179.7	0	0	0	0	0	110.7	C756 C759 F763	C756-A761 HydrophobicContact CB-CB 4.44Å; C756-A761 VanDerWaalsContact CB-O 3.24Å; C756-A761 WeakPolarHBondContact CB-O 3.42Å; C756-A761 PolarHBondContact N-O 3.05Å; C759-A761 PolarHBondContact O-N 2.95Å; C759-A761 WeakPolarHBondContact SG-CB 3.27Å; A761-F763 HydrophobicContact CB-CE2 3.9Å; A761-F763 HydrophobicContact CB-CZ 4.15Å; A761-F763 VanDerWaalsContact O-CD2 3.3Å; A761-F763 WeakPolarHBondContact O-CD2 3.35Å; A761-F763 WeakPolarHBondContact O-CE2 3.39Å
762	R	75.8	Confident	77.2	Confident	137 Å²	137	63 Å²	63	52%	0.517	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	150.7	-178.3	-51.8	-175.2	70	131.6	0.9	111.6	R752 F754 P755 G760	R752-R762 HydrophobicContact CB-CB 3.46Å; R752-R762 VanDerWaalsContact CB-CB 3.46Å; R752-R762 PolarHBondContact NE-O 3.05Å; R752-R762 PolarHBondContact NH2-O 3.06Å; R752-R762 PolarHBondContact O-NE 3.09Å; R752-R762 PolarHBondContact O-NH2 3.09Å; F754-R762 CarbonylContact O-C 3.29Å; P755-R762 HydrophobicContact CB-CG 4.37Å; G760-R762 WeakPolarHBondContact O-CG 3.37Å; G760-R762 PolarHBondContact O-N 3.07Å; G760-R762 VanDerWaalsContact O-N 3.15Å
763	F	80.6	Confident	77.2	Confident	35 Å²	35	58.6 Å²	58.6	15%	0.154	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	150.3	177.9	-63.3	-89.1	0	0	0	111.6	R752 F754 C756 A761 R765 H768 L769 H772	R752-F763 CarbonylContact C-O 3.5Å; R752-F763 VanDerWaalsContact CA-O 3.27Å; R752-F763 WeakPolarHBondContact CA-O 3.38Å; F754-F763 HydrophobicContact CB-CB 4.28Å; F754-F763 WeakPolarHBondContact CB-O 3.35Å; F754-F763 WeakPolarHBondContact CD2-O 3.17Å; F754-F763 PolarHBondContact N-O 3.38Å; F754-F763 PolarHBondContact O-N 3.34Å; C756-F763 HydrophobicContact CB-CE2 4.32Å; A761-F763 HydrophobicContact CB-CE2 3.9Å; A761-F763 HydrophobicContact CB-CZ 4.15Å; A761-F763 VanDerWaalsContact O-CD2 3.3Å; A761-F763 WeakPolarHBondContact O-CD2 3.35Å; A761-F763 WeakPolarHBondContact O-CE2 3.39Å; F763-R765 VanDerWaalsContact C-N 3.33Å; F763-H768 HydrophobicContact CB-CB 4.39Å; F763-H768 HydrophobicContact CD1-CB 3.95Å; F763-H768 HydrophobicContact CG-CB 4.44Å; F763-L769 HydrophobicContact CB-CB 4.23Å; F763-L769 HydrophobicContact CD2-CB 3.94Å; F763-L769 HydrophobicContact CD2-CD1 3.88Å; F763-L769 HydrophobicContact CE2-CD1 4.14Å; F763-L769 HydrophobicContact CG-CB 4.21Å; F763-H772 HydrophobicContact CE1-CB 4.15Å; F763-H772 HydrophobicContact CE2-CB 4.06Å; F763-H772 AromaticContact CE2-CD2 3.22Å; F763-H772 WeakPolarHBondContact CE2-CD2 3.49Å; F763-H772 AromaticContact CE2-CG 3.7Å; F763-H772 AromaticContact CE2-NE2 3.84Å; F763-H772 HydrophobicContact CZ-CB 3.64Å; F763-H772 AromaticContact CZ-CD2 3.33Å; F763-H772 WeakPolarHBondContact CZ-CD2 3.48Å; F763-H772 AromaticContact CZ-CG 3.32Å; F763-H772 AromaticContact CZ-ND1 3.87Å; F763-H772 AromaticContact CZ-NE2 3.84Å
764	A	78.3	Confident	77.3	Confident	32 Å²	32	59.3 Å²	59.3	26%	0.264	34%	0.342	S	S	.	.	S	Bend	trans	-82.3	-10.3	177	0	0	0	0	0	113.5
765	R	79.6	Confident	76.7	Confident	83 Å²	83	58.6 Å²	58.6	31%	0.313	36%	0.355	S	S	.	.	S	Bend	trans	-142.5	134.8	-177.9	-56.1	179.1	-169.1	167.8	-6.4	110.3	F754 F763 S767 H768 L769	F754-R765 VanDerWaalsContact CD2-C 3.49Å; F763-R765 VanDerWaalsContact C-N 3.33Å; R765-S767 VanDerWaalsContact C-N 3.3Å; R765-S767 PolarHBondContact O-N 2.91Å; R765-H768 HydrophobicContact CB-CB 4.44Å; R765-H768 PolarHBondContact NH1-NE2 3.17Å; R765-H768 WeakPolarHBondContact O-CB 3.34Å; R765-H768 PolarHBondContact O-N 2.79Å; R765-H768 VanDerWaalsContact O-N 3.14Å; R765-L769 PolarHBondContact O-N 2.98Å
766	G	77.3	Confident	76.2	Confident	29 Å²	29	59 Å²	59	30%	0.299	35%	0.351	S	S	.	.	H	α-helix	trans	-61.7	-33.2	177.8	0	0	0	0	0	114	H768 L769 A770	G766-H768 VanDerWaalsContact C-N 3.3Å; G766-H768 PolarHBondContact O-N 3.28Å; G766-L769 WeakPolarHBondContact O-CB 3.39Å; G766-L769 PolarHBondContact O-N 2.76Å; G766-A770 WeakPolarHBondContact O-CB 3.4Å; G766-A770 PolarHBondContact O-N 3.33Å
767	S	78.3	Confident	75.6	Confident	75 Å²	75	62.2 Å²	62.2	52%	0.524	37%	0.37	S	S	.	.	H	α-helix	trans	-62.5	-35.4	174.2	55.1	0	0	0	0	112.9	R765 A771	R765-S767 VanDerWaalsContact C-N 3.3Å; R765-S767 PolarHBondContact O-N 2.91Å; S767-A771 VanDerWaalsContact O-CB 3.25Å; S767-A771 WeakPolarHBondContact O-CB 3.37Å; S767-A771 PolarHBondContact O-N 2.62Å
768	H	78.4	Confident	75.4	Confident	87 Å²	87	58.8 Å²	58.8	40%	0.403	36%	0.356	S	S	.	.	H	α-helix	trans	-71.3	-38	176.3	-67.1	-158	0	0	0	111	F763 R765 G766 A771 H772	F763-H768 HydrophobicContact CB-CB 4.39Å; F763-H768 HydrophobicContact CD1-CB 3.95Å; F763-H768 HydrophobicContact CG-CB 4.44Å; R765-H768 HydrophobicContact CB-CB 4.44Å; R765-H768 PolarHBondContact NH1-NE2 3.17Å; R765-H768 WeakPolarHBondContact O-CB 3.34Å; R765-H768 PolarHBondContact O-N 2.79Å; R765-H768 VanDerWaalsContact O-N 3.14Å; G766-H768 VanDerWaalsContact C-N 3.3Å; G766-H768 PolarHBondContact O-N 3.28Å; H768-A771 CarbonylContact O-C 3.49Å; H768-A771 PolarHBondContact O-N 3.31Å; H768-H772 WeakPolarHBondContact O-CB 3.5Å; H768-H772 PolarHBondContact O-N 3.38Å; H768-H772 VanDerWaalsContact O-N 3.11Å
769	L	81.4	Confident	75	Confident	29 Å²	29	59 Å²	59	15%	0.152	36%	0.357	C	S	.	.	H	α-helix	trans	-62.4	-49.8	171.7	171	60.7	0	0	0	111.2	F754 P755 C756 F763 R765 G766 A771 H772 V773	F754-L769 HydrophobicContact CB-CB 4.23Å; F754-L769 HydrophobicContact CB-CD2 3.89Å; P755-L769 VanDerWaalsContact O-CD2 3.32Å; P755-L769 WeakPolarHBondContact O-CD2 3.31Å; C756-L769 HydrophobicContact CB-CD1 3.57Å; F763-L769 HydrophobicContact CB-CB 4.23Å; F763-L769 HydrophobicContact CD2-CB 3.94Å; F763-L769 HydrophobicContact CD2-CD1 3.88Å; F763-L769 HydrophobicContact CE2-CD1 4.14Å; F763-L769 HydrophobicContact CG-CB 4.21Å; R765-L769 PolarHBondContact O-N 2.98Å; G766-L769 WeakPolarHBondContact O-CB 3.39Å; G766-L769 PolarHBondContact O-N 2.76Å; L769-A771 PolarHBondContact O-N 3.43Å; L769-H772 CarbonylContact O-C 3.35Å; L769-H772 WeakPolarHBondContact O-CA 3.45Å; L769-H772 WeakPolarHBondContact O-CB 3.31Å; L769-H772 PolarHBondContact O-N 2.94Å; L769-V773 HydrophobicContact CD1-CG2 3.74Å; L769-V773 HydrophobicContact CG-CG2 4.31Å; L769-V773 PolarHBondContact O-N 2.78Å
770	A	76.7	Confident	75	Confident	52 Å²	52	61.8 Å²	61.8	43%	0.43	36%	0.362	S	S	.	.	H	α-helix	trans	-63.7	-24	177.2	0	0	0	0	0	113.1	G766 R774	G766-A770 WeakPolarHBondContact O-CB 3.4Å; G766-A770 PolarHBondContact O-N 3.33Å; A770-R774 PolarHBondContact O-NE 3.24Å; A770-R774 PolarHBondContact O-NH2 3.29Å
771	A	74.1	Confident	75.1	Confident	17 Å²	17	63.3 Å²	63.3	14%	0.14	36%	0.362	C	S	.	.	H	α-helix	trans	-90	3.5	172.2	0	0	0	0	0	114.1	S767 H768 L769 R793	S767-A771 VanDerWaalsContact O-CB 3.25Å; S767-A771 WeakPolarHBondContact O-CB 3.37Å; S767-A771 PolarHBondContact O-N 2.62Å; H768-A771 CarbonylContact O-C 3.49Å; H768-A771 PolarHBondContact O-N 3.31Å; L769-A771 PolarHBondContact O-N 3.43Å; A771-R793 PolarHBondContact O-NH2 2.68Å; A771-R793 VanDerWaalsContact O-NH2 3.08Å
772	H	77.1	Confident	75.3	Confident	48 Å²	48	64 Å²	64	22%	0.222	36%	0.359	C	S	.	.	H	α-helix	trans	-112.2	-40.2	175.1	166	66.7	0	0	0	112	C759 F763 H768 L769 R774 G775 H776	C759-H772 PolarHBondContact SG-NE2 3.2Å; F763-H772 HydrophobicContact CE1-CB 4.15Å; F763-H772 HydrophobicContact CE2-CB 4.06Å; F763-H772 AromaticContact CE2-CD2 3.22Å; F763-H772 WeakPolarHBondContact CE2-CD2 3.49Å; F763-H772 AromaticContact CE2-CG 3.7Å; F763-H772 AromaticContact CE2-NE2 3.84Å; F763-H772 HydrophobicContact CZ-CB 3.64Å; F763-H772 AromaticContact CZ-CD2 3.33Å; F763-H772 WeakPolarHBondContact CZ-CD2 3.48Å; F763-H772 AromaticContact CZ-CG 3.32Å; F763-H772 AromaticContact CZ-ND1 3.87Å; F763-H772 AromaticContact CZ-NE2 3.84Å; H768-H772 WeakPolarHBondContact O-CB 3.5Å; H768-H772 PolarHBondContact O-N 3.38Å; H768-H772 VanDerWaalsContact O-N 3.11Å; L769-H772 CarbonylContact O-C 3.35Å; L769-H772 WeakPolarHBondContact O-CA 3.45Å; L769-H772 WeakPolarHBondContact O-CB 3.31Å; L769-H772 PolarHBondContact O-N 2.94Å; H772-R774 VanDerWaalsContact C-N 3.29Å; H772-R774 PolarHBondContact O-N 3.43Å; H772-G775 VanDerWaalsContact O-CA 3.3Å; H772-G775 WeakPolarHBondContact O-CA 3.49Å; H772-G775 PolarHBondContact O-N 2.96Å; H772-H776 AromaticContact CD2-NE2 3.91Å; H772-H776 AromaticContact CE1-CE1 3.74Å; H772-H776 AromaticContact CE1-NE2 3.49Å; H772-H776 PolarHBondContact CE1-NE2 3.3Å; H772-H776 AromaticContact NE2-CE1 3.83Å; H772-H776 AromaticContact NE2-NE2 3.16Å; H772-H776 PolarHBondContact NE2-NE2 3.37Å; H772-H776 VanDerWaalsContact NE2-NE2 3.16Å
773	V	75.9	Confident	75.4	Confident	39 Å²	39	61.7 Å²	61.7	24%	0.236	36%	0.36	C	S	.	.	H	α-helix	trans	-58.3	-39	173.6	166.3	0	0	0	0	111.6	L769 G775 H776 T777	L769-V773 HydrophobicContact CD1-CG2 3.74Å; L769-V773 HydrophobicContact CG-CG2 4.31Å; L769-V773 PolarHBondContact O-N 2.78Å; V773-G775 PolarHBondContact O-N 3.19Å; V773-H776 PolarHBondContact O-N 2.95Å; V773-T777 HydrophobicContact CG1-CG2 4.15Å; V773-T777 PolarHBondContact O-N 3.33Å; V773-T777 VanDerWaalsContact O-N 3.08Å; V773-T777 PolarHBondContact O-OG1 2.8Å
774	R	79.8	Confident	75.5	Confident	70 Å²	70	60.3 Å²	60.3	26%	0.264	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-9.4	167.2	-82.2	178	-78.1	166.5	-17.5	115.1	A770 H772 T777 E779 S792	A770-R774 PolarHBondContact O-NE 3.24Å; A770-R774 PolarHBondContact O-NH2 3.29Å; H772-R774 VanDerWaalsContact C-N 3.29Å; H772-R774 PolarHBondContact O-N 3.43Å; R774-T777 WeakPolarHBondContact CA-OG1 3.45Å; R774-E779 HydrophobicContact CG-CB 4.41Å; R774-S792 PolarHBondContact NH1-O 3.3Å
775	G	68.1	Low	75.3	Confident	58 Å²	58	63 Å²	63	60%	0.598	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-20.6	171.7	0	0	0	0	0	113.9	H772 V773	H772-G775 VanDerWaalsContact O-CA 3.3Å; H772-G775 WeakPolarHBondContact O-CA 3.49Å; H772-G775 PolarHBondContact O-N 2.96Å; V773-G775 PolarHBondContact O-N 3.19Å
776	H	69.7	Low	75	Confident	77 Å²	77	64.2 Å²	64.2	36%	0.356	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-46.3	174.5	-57.5	-51.1	0	0	0	111.3	C756 E758 C759 H772 V773 G778	C756-H776 PolarHBondContact SG-NE2 3.23Å; C756-H776 VanDerWaalsContact SG-NE2 3.4Å; E758-H776 IonicContact OE1-CD2 2.75Å; E758-H776 WeakPolarHBondContact OE2-CB 3.5Å; E758-H776 IonicContact OE2-CD2 3.4Å; E758-H776 IonicContact OE2-CG 3.57Å; C759-H776 PolarHBondContact SG-NE2 3.46Å; H772-H776 AromaticContact CD2-NE2 3.91Å; H772-H776 AromaticContact CE1-CE1 3.74Å; H772-H776 AromaticContact CE1-NE2 3.49Å; H772-H776 PolarHBondContact CE1-NE2 3.3Å; H772-H776 AromaticContact NE2-CE1 3.83Å; H772-H776 AromaticContact NE2-NE2 3.16Å; H772-H776 PolarHBondContact NE2-NE2 3.37Å; H772-H776 VanDerWaalsContact NE2-NE2 3.16Å; V773-H776 PolarHBondContact O-N 2.95Å; H776-G778 PolarHBondContact O-N 3.42Å
777	T	67.3	Low	74.7	Confident	69 Å²	69	66 Å²	66	42%	0.423	41%	0.409	S	S	.	.	S	Bend	trans	-63.7	-8.5	176.6	62.9	0	0	0	0	113.6	V773 R774 E779	V773-T777 HydrophobicContact CG1-CG2 4.15Å; V773-T777 PolarHBondContact O-N 3.33Å; V773-T777 VanDerWaalsContact O-N 3.08Å; V773-T777 PolarHBondContact O-OG1 2.8Å; R774-T777 WeakPolarHBondContact CA-OG1 3.45Å; T777-E779 PolarHBondContact O-N 2.89Å; T777-E779 WeakPolarHBondContact OG1-CB 3.32Å; T777-E779 VanDerWaalsContact OG1-CG 3.3Å; T777-E779 WeakPolarHBondContact OG1-CG 3.39Å; T777-E779 PolarHBondContact OG1-OE2 2.84Å
778	G	68.1	Low	74.4	Confident	44 Å²	44	65 Å²	65	45%	0.454	41%	0.411	S	S	.	.			trans	69.1	-2.5	-176.3	0	0	0	0	0	114.3	H776 K780	H776-G778 PolarHBondContact O-N 3.42Å; G778-K780 WeakPolarHBondContact O-CG 3.25Å; G778-K780 PolarHBondContact O-N 3.08Å
779	E	66.3	Low	74.3	Confident	106 Å²	106	62.5 Å²	62.5	50%	0.495	41%	0.405	S	S	.	.			trans	-60.3	126.1	-172.8	-73.8	174.7	142.4	0	0	112.2	R774 T777 P781	R774-E779 HydrophobicContact CG-CB 4.41Å; T777-E779 PolarHBondContact O-N 2.89Å; T777-E779 WeakPolarHBondContact OG1-CB 3.32Å; T777-E779 VanDerWaalsContact OG1-CG 3.3Å; T777-E779 WeakPolarHBondContact OG1-CG 3.39Å; T777-E779 PolarHBondContact OG1-OE2 2.84Å; E779-P781 VanDerWaalsContact C-CD 3.5Å; E779-P781 WeakPolarHBondContact O-CD 3.4Å
780	K	73.3	Confident	73.9	Confident	125 Å²	125	62.1 Å²	62.1	54%	0.543	41%	0.408	S	S	.	.			trans	-125.1	69.2	-179.3	-74.4	158.1	173.6	172.1	0	110.6	G778 F782 G790 F791	G778-K780 WeakPolarHBondContact O-CG 3.25Å; G778-K780 PolarHBondContact O-N 3.08Å; K780-F782 PolarHBondContact O-N 2.91Å; K780-G790 VanDerWaalsContact CD-O 3.3Å; K780-G790 WeakPolarHBondContact CD-O 3.47Å; K780-G790 WeakPolarHBondContact CG-O 3.48Å; K780-F791 CarbonylContact C-O 3.53Å; K780-F791 VanDerWaalsContact C-O 3.29Å; K780-F791 VanDerWaalsContact CA-O 3.32Å; K780-F791 WeakPolarHBondContact CA-O 3.23Å
781	P	75.8	Confident	74.1	Confident	83 Å²	83	61.8 Å²	61.8	54%	0.539	40%	0.397	S	S	.	.			trans	-63.6	-12.7	-174.7	-21.1	34.2	0	0	0	114.3	E779	E779-P781 VanDerWaalsContact C-CD 3.5Å; E779-P781 WeakPolarHBondContact O-CD 3.4Å
782	F	79.4	Confident	74.1	Confident	50 Å²	50	62.5 Å²	62.5	22%	0.219	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	84.3	-176.7	-52.9	-75	0	0	0	109.5	K780 F791 R794 L797	K780-F782 PolarHBondContact O-N 2.91Å; F782-F791 HydrophobicContact CB-CB 4.38Å; F782-F791 WeakPolarHBondContact CB-O 3.35Å; F782-F791 PolarHBondContact N-O 2.96Å; F782-F791 VanDerWaalsContact N-O 3.11Å; F782-F791 WeakPolarHBondContact O-CD2 3.41Å; F782-F791 PolarHBondContact O-N 3.33Å; F782-R794 HydrophobicContact CD1-CB 3.78Å; F782-R794 HydrophobicContact CD1-CG 4.35Å; F782-R794 HydrophobicContact CE1-CB 3.73Å; F782-R794 HydrophobicContact CE1-CG 4.47Å; F782-R794 HydrophobicContact CG-CB 4.22Å; F782-R794 HydrophobicContact CZ-CB 4.13Å; F782-L797 HydrophobicContact CB-CB 3.9Å; F782-L797 HydrophobicContact CB-CD2 3.75Å; F782-L797 HydrophobicContact CB-CG 4.44Å
783	V	78.4	Confident	74.1	Confident	87 Å²	87	65.2 Å²	65.2	53%	0.527	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	137.3	179.5	-177.2	0	0	0	0	111.3	G785	V783-G785 PolarHBondContact O-N 3.4Å
784	C	82.4	Confident	74.1	Confident	7 Å²	7	70.9 Å²	70.9	5%	0.047	43%	0.426	C	S	.	.			trans	-80.5	112.4	173.7	-172.9	0	0	0	0	111.4	V786 C787 G788 A789 F791 L797	C784-V786 PolarHBondContact O-N 3.26Å; C784-C787 PolarHBondContact O-N 3.23Å; C784-G788 WeakPolarHBondContact O-CA 3.49Å; C784-G788 PolarHBondContact O-N 3.45Å; C784-A789 HydrophobicContact CB-CB 4.44Å; C784-A789 WeakPolarHBondContact CB-O 3.4Å; C784-A789 PolarHBondContact N-O 3.43Å; C784-F791 HydrophobicContact CB-CE2 4.35Å; C784-L797 HydrophobicContact CB-CD1 3.59Å
785	G	74.4	Confident	73.9	Confident	87 Å²	87	69.9 Å²	69.9	90%	0.897	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-1.2	178.6	0	0	0	0	0	116.2	V783	V783-G785 PolarHBondContact O-N 3.4Å
786	V	72.5	Confident	74.3	Confident	109 Å²	109	71.2 Å²	71.2	66%	0.661	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-33.6	176.7	-175.1	0	0	0	0	112.3	C784 H804	C784-V786 PolarHBondContact O-N 3.26Å; V786-H804 HydrophobicContact CB-CB 4.36Å; V786-H804 HydrophobicContact CG1-CB 4.09Å; V786-H804 HydrophobicContact CG2-CB 4.32Å
787	C	72.3	Confident	74.9	Confident	66 Å²	66	69.2 Å²	69.2	45%	0.446	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136	3.3	-172.9	66.9	0	0	0	0	115	C784 A789 H800 H804	C784-C787 PolarHBondContact O-N 3.23Å; C787-A789 PolarHBondContact O-N 2.87Å; C787-A789 VanDerWaalsContact O-N 3.16Å; C787-A789 WeakPolarHBondContact SG-CB 3.46Å; C787-H800 PolarHBondContact SG-NE2 2.94Å; C787-H804 VanDerWaalsContact SG-CE1 3.53Å; C787-H804 PolarHBondContact SG-NE2 3.18Å; C787-H804 VanDerWaalsContact SG-NE2 3.36Å
788	G	71.7	Confident	75.4	Confident	55 Å²	55	69.2 Å²	69.2	57%	0.567	42%	0.415	S	S	*	.			trans	71.7	-1.6	-177.4	0	0	0	0	0	115.4	C784 G790	C784-G788 WeakPolarHBondContact O-CA 3.49Å; C784-G788 PolarHBondContact O-N 3.45Å; G788-G790 PolarHBondContact O-N 2.95Å
789	A	74.9	Confident	75.8	Confident	34 Å²	34	68.2 Å²	68.2	28%	0.281	40%	0.403	S	S	.	.			trans	-63.8	119.1	-179	0	0	0	0	0	111.4	C784 C787 F791	C784-A789 HydrophobicContact CB-CB 4.44Å; C784-A789 WeakPolarHBondContact CB-O 3.4Å; C784-A789 PolarHBondContact N-O 3.43Å; C787-A789 PolarHBondContact O-N 2.87Å; C787-A789 VanDerWaalsContact O-N 3.16Å; C787-A789 WeakPolarHBondContact SG-CB 3.46Å; A789-F791 HydrophobicContact CB-CE2 3.75Å; A789-F791 HydrophobicContact CB-CZ 3.92Å; A789-F791 WeakPolarHBondContact O-CD2 3.25Å; A789-F791 WeakPolarHBondContact O-CE2 3.27Å
790	G	74.5	Confident	76.4	Confident	21 Å²	21	65 Å²	65	22%	0.216	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	135.5	178.9	0	0	0	0	0	113.5	K780 G788	K780-G790 VanDerWaalsContact CD-O 3.3Å; K780-G790 WeakPolarHBondContact CD-O 3.47Å; K780-G790 WeakPolarHBondContact CG-O 3.48Å; G788-G790 PolarHBondContact O-N 2.95Å
791	F	79.8	Confident	76.5	Confident	45 Å²	45	60.1 Å²	60.1	20%	0.197	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	146	178.2	-58.3	-87.7	0	0	0	111.8	K780 F782 C784 A789 R793 H796 L797 H800	K780-F791 CarbonylContact C-O 3.53Å; K780-F791 VanDerWaalsContact C-O 3.29Å; K780-F791 VanDerWaalsContact CA-O 3.32Å; K780-F791 WeakPolarHBondContact CA-O 3.23Å; F782-F791 HydrophobicContact CB-CB 4.38Å; F782-F791 WeakPolarHBondContact CB-O 3.35Å; F782-F791 PolarHBondContact N-O 2.96Å; F782-F791 VanDerWaalsContact N-O 3.11Å; F782-F791 WeakPolarHBondContact O-CD2 3.41Å; F782-F791 PolarHBondContact O-N 3.33Å; C784-F791 HydrophobicContact CB-CE2 4.35Å; A789-F791 HydrophobicContact CB-CE2 3.75Å; A789-F791 HydrophobicContact CB-CZ 3.92Å; A789-F791 WeakPolarHBondContact O-CD2 3.25Å; A789-F791 WeakPolarHBondContact O-CE2 3.27Å; F791-R793 VanDerWaalsContact C-N 3.32Å; F791-H796 HydrophobicContact CB-CB 4.31Å; F791-H796 HydrophobicContact CD1-CB 4.04Å; F791-H796 HydrophobicContact CG-CB 4.41Å; F791-L797 HydrophobicContact CB-CB 4.3Å; F791-L797 HydrophobicContact CD2-CB 3.99Å; F791-L797 HydrophobicContact CD2-CD1 3.91Å; F791-L797 HydrophobicContact CE2-CD1 4.19Å; F791-L797 HydrophobicContact CG-CB 4.33Å; F791-H800 HydrophobicContact CE1-CB 4.11Å; F791-H800 HydrophobicContact CE2-CB 3.92Å; F791-H800 AromaticContact CE2-CD2 3.35Å; F791-H800 WeakPolarHBondContact CE2-CD2 3.45Å; F791-H800 AromaticContact CE2-CG 3.63Å; F791-H800 AromaticContact CE2-NE2 3.94Å; F791-H800 HydrophobicContact CZ-CB 3.59Å; F791-H800 AromaticContact CZ-CD2 3.43Å; F791-H800 VanDerWaalsContact CZ-CD2 3.43Å; F791-H800 WeakPolarHBondContact CZ-CD2 3.36Å; F791-H800 AromaticContact CZ-CE1 3.93Å; F791-H800 AromaticContact CZ-CG 3.26Å; F791-H800 AromaticContact CZ-ND1 3.61Å; F791-H800 AromaticContact CZ-NE2 3.84Å
792	S	74.9	Confident	76.7	Confident	32 Å²	32	59.1 Å²	59.1	22%	0.224	36%	0.358	C	S	.	.	S	Bend	trans	-81.1	-8	177.7	56.2	0	0	0	0	114.1	R774	R774-S792 PolarHBondContact NH1-O 3.3Å
793	R	75.9	Confident	76.4	Confident	105 Å²	105	60.4 Å²	60.4	40%	0.396	38%	0.379	S	S	.	.	S	Bend	trans	-140	138.9	-179.6	-58.4	-179.6	-170	160.9	-1.2	112	A771 F791 A795 H796 L797	A771-R793 PolarHBondContact O-NH2 2.68Å; A771-R793 VanDerWaalsContact O-NH2 3.08Å; F791-R793 VanDerWaalsContact C-N 3.32Å; R793-A795 PolarHBondContact O-N 3.18Å; R793-H796 HydrophobicContact CB-CB 4.47Å; R793-H796 PolarHBondContact O-N 3.43Å; R793-L797 PolarHBondContact O-N 3.39Å
794	R	75.6	Confident	76	Confident	158 Å²	158	59.8 Å²	59.8	60%	0.596	37%	0.37	S	S	*	.	H	α-helix	trans	-59.6	-45	178.6	-177.3	167.6	-85.7	-165.2	-6.7	112.7	F782 H796 L797 T798	F782-R794 HydrophobicContact CD1-CB 3.78Å; F782-R794 HydrophobicContact CD1-CG 4.35Å; F782-R794 HydrophobicContact CE1-CB 3.73Å; F782-R794 HydrophobicContact CE1-CG 4.47Å; F782-R794 HydrophobicContact CG-CB 4.22Å; F782-R794 HydrophobicContact CZ-CB 4.13Å; R794-H796 PolarHBondContact O-N 2.9Å; R794-L797 CarbonylContact O-C 3.5Å; R794-L797 WeakPolarHBondContact O-CA 3.44Å; R794-L797 WeakPolarHBondContact O-CB 3.3Å; R794-L797 PolarHBondContact O-N 3.14Å; R794-T798 PolarHBondContact O-N 2.82Å; R794-T798 PolarHBondContact O-OG1 2.8Å
795	A	77.3	Confident	75.3	Confident	49 Å²	49	61.9 Å²	61.9	41%	0.405	38%	0.382	S	S	.	.	H	α-helix	trans	-56.3	-36.9	177.7	0	0	0	0	0	113.1	R793 T798 A799	R793-A795 PolarHBondContact O-N 3.18Å; A795-T798 PolarHBondContact O-N 2.8Å; A795-A799 WeakPolarHBondContact O-CB 3.28Å; A795-A799 PolarHBondContact O-N 3.19Å
796	H	76.3	Confident	75.2	Confident	86 Å²	86	60.2 Å²	60.2	40%	0.398	37%	0.365	S	S	.	.	H	α-helix	trans	-69.7	-39.5	176	-66.6	-158.1	0	0	0	111.4	F791 R793 R794 A799 H800	F791-H796 HydrophobicContact CB-CB 4.31Å; F791-H796 HydrophobicContact CD1-CB 4.04Å; F791-H796 HydrophobicContact CG-CB 4.41Å; R793-H796 HydrophobicContact CB-CB 4.47Å; R793-H796 PolarHBondContact O-N 3.43Å; R794-H796 PolarHBondContact O-N 2.9Å; H796-A799 PolarHBondContact O-N 3.24Å; H796-H800 VanDerWaalsContact O-CB 3.28Å; H796-H800 WeakPolarHBondContact O-CB 3.39Å; H796-H800 PolarHBondContact O-N 3.36Å
797	L	81.3	Confident	75.1	Confident	36 Å²	36	58.9 Å²	58.9	19%	0.188	35%	0.352	C	S	.	.	H	α-helix	trans	-62.6	-44.4	171.5	171.4	62.7	0	0	0	111.4	F782 C784 F791 R793 R794 A799 H800 G801	F782-L797 HydrophobicContact CB-CB 3.9Å; F782-L797 HydrophobicContact CB-CD2 3.75Å; F782-L797 HydrophobicContact CB-CG 4.44Å; C784-L797 HydrophobicContact CB-CD1 3.59Å; F791-L797 HydrophobicContact CB-CB 4.3Å; F791-L797 HydrophobicContact CD2-CB 3.99Å; F791-L797 HydrophobicContact CD2-CD1 3.91Å; F791-L797 HydrophobicContact CE2-CD1 4.19Å; F791-L797 HydrophobicContact CG-CB 4.33Å; R793-L797 PolarHBondContact O-N 3.39Å; R794-L797 CarbonylContact O-C 3.5Å; R794-L797 WeakPolarHBondContact O-CA 3.44Å; R794-L797 WeakPolarHBondContact O-CB 3.3Å; R794-L797 PolarHBondContact O-N 3.14Å; L797-A799 PolarHBondContact O-N 3.1Å; L797-H800 CarbonylContact O-C 3.58Å; L797-H800 PolarHBondContact O-N 3.29Å; L797-G801 PolarHBondContact O-N 3.32Å
798	T	78.6	Confident	75.3	Confident	69 Å²	69	61 Å²	61	42%	0.423	35%	0.35	S	S	.	.	H	α-helix	trans	-60	-46.8	177.1	-54.8	0	0	0	0	111	R794 A795 H800 G801 R802	R794-T798 PolarHBondContact O-N 2.82Å; R794-T798 PolarHBondContact O-OG1 2.8Å; A795-T798 PolarHBondContact O-N 2.8Å; T798-H800 VanDerWaalsContact C-N 3.3Å; T798-H800 PolarHBondContact O-N 3.49Å; T798-G801 PolarHBondContact O-N 3.33Å; T798-R802 PolarHBondContact O-N 2.83Å
799	A	76.6	Confident	75.6	Confident	23 Å²	23	61.7 Å²	61.7	19%	0.19	35%	0.345	C	S	.	.	H	α-helix	trans	-66.8	-29.5	177.6	0	0	0	0	0	113.2	A795 H796 L797 Q821	A795-A799 WeakPolarHBondContact O-CB 3.28Å; A795-A799 PolarHBondContact O-N 3.19Å; H796-A799 PolarHBondContact O-N 3.24Å; L797-A799 PolarHBondContact O-N 3.1Å; A799-Q821 HydrophobicContact CB-CG 4.23Å
800	H	79.2	Confident	76	Confident	38 Å²	38	63.7 Å²	63.7	18%	0.176	35%	0.346	C	S	.	.	H	α-helix	trans	-76.7	-35.6	171.9	176.8	76.6	0	0	0	112.7	C787 F791 H796 L797 T798 R802 A803 H804	C787-H800 PolarHBondContact SG-NE2 2.94Å; F791-H800 HydrophobicContact CE1-CB 4.11Å; F791-H800 HydrophobicContact CE2-CB 3.92Å; F791-H800 AromaticContact CE2-CD2 3.35Å; F791-H800 WeakPolarHBondContact CE2-CD2 3.45Å; F791-H800 AromaticContact CE2-CG 3.63Å; F791-H800 AromaticContact CE2-NE2 3.94Å; F791-H800 HydrophobicContact CZ-CB 3.59Å; F791-H800 AromaticContact CZ-CD2 3.43Å; F791-H800 VanDerWaalsContact CZ-CD2 3.43Å; F791-H800 WeakPolarHBondContact CZ-CD2 3.36Å; F791-H800 AromaticContact CZ-CE1 3.93Å; F791-H800 AromaticContact CZ-CG 3.26Å; F791-H800 AromaticContact CZ-ND1 3.61Å; F791-H800 AromaticContact CZ-NE2 3.84Å; H796-H800 VanDerWaalsContact O-CB 3.28Å; H796-H800 WeakPolarHBondContact O-CB 3.39Å; H796-H800 PolarHBondContact O-N 3.36Å; L797-H800 CarbonylContact O-C 3.58Å; L797-H800 PolarHBondContact O-N 3.29Å; T798-H800 VanDerWaalsContact C-N 3.3Å; T798-H800 PolarHBondContact O-N 3.49Å; H800-R802 PolarHBondContact O-N 2.83Å; H800-A803 VanDerWaalsContact O-CB 3.25Å; H800-A803 WeakPolarHBondContact O-CB 3.39Å; H800-A803 PolarHBondContact O-N 2.9Å; H800-H804 AromaticContact CD2-CD2 3.97Å; H800-H804 AromaticContact CD2-NE2 3.54Å; H800-H804 AromaticContact CE1-NE2 3.54Å; H800-H804 AromaticContact NE2-CD2 3.82Å; H800-H804 AromaticContact NE2-CE1 3.92Å; H800-H804 AromaticContact NE2-NE2 2.93Å; H800-H804 PolarHBondContact NE2-NE2 2.86Å
801	G	74	Confident	76.3	Confident	23 Å²	23	65.3 Å²	65.3	24%	0.237	36%	0.357	C	S	.	.	H	α-helix	trans	-55.9	-38.4	175.2	0	0	0	0	0	112.4	L797 T798 A803 H804 T805	L797-G801 PolarHBondContact O-N 3.32Å; T798-G801 PolarHBondContact O-N 3.33Å; G801-A803 PolarHBondContact O-N 2.95Å; G801-H804 PolarHBondContact O-N 2.93Å; G801-T805 PolarHBondContact O-N 2.9Å; G801-T805 VanDerWaalsContact O-N 3.11Å; G801-T805 PolarHBondContact O-OG1 3.43Å
802	R	80.4	Confident	76.6	Confident	61 Å²	61	63.3 Å²	63.3	23%	0.23	35%	0.348	C	S	.	.	H	α-helix	trans	-57.9	-26.2	173.6	-67.5	173.8	-171.2	167.4	1.7	113.8	T798 H800 T805 G806 E807 G820	T798-R802 PolarHBondContact O-N 2.83Å; H800-R802 PolarHBondContact O-N 2.83Å; R802-T805 WeakPolarHBondContact CA-OG1 3.21Å; R802-T805 PolarHBondContact O-OG1 2.91Å; R802-G806 CarbonylContact O-C 3.29Å; R802-G806 WeakPolarHBondContact O-CA 3.15Å; R802-G806 PolarHBondContact O-N 3.2Å; R802-G806 VanDerWaalsContact O-N 3.08Å; R802-E807 PolarHBondContact O-N 3.37Å; R802-G820 WeakPolarHBondContact CD-O 3.36Å; R802-G820 PolarHBondContact NH1-O 3.14Å
803	A	72.9	Confident	76.8	Confident	78 Å²	78	65.4 Å²	65.4	65%	0.645	38%	0.375	S	S	*	.	H	α-helix	trans	-73.5	-26.8	174.6	0	0	0	0	0	112.9	H800 G801	H800-A803 VanDerWaalsContact O-CB 3.25Å; H800-A803 WeakPolarHBondContact O-CB 3.39Å; H800-A803 PolarHBondContact O-N 2.9Å; G801-A803 PolarHBondContact O-N 2.95Å
804	H	70.4	Confident	76.9	Confident	73 Å²	73	66.1 Å²	66.1	34%	0.338	38%	0.383	S	S	.	.	H	α-helix	trans	-85.8	-36.3	176.1	-62.1	-71.7	0	0	0	112.7	V786 C787 H800 G801 G806	V786-H804 HydrophobicContact CB-CB 4.36Å; V786-H804 HydrophobicContact CG1-CB 4.09Å; V786-H804 HydrophobicContact CG2-CB 4.32Å; C787-H804 VanDerWaalsContact SG-CE1 3.53Å; C787-H804 PolarHBondContact SG-NE2 3.18Å; C787-H804 VanDerWaalsContact SG-NE2 3.36Å; H800-H804 AromaticContact CD2-CD2 3.97Å; H800-H804 AromaticContact CD2-NE2 3.54Å; H800-H804 AromaticContact CE1-NE2 3.54Å; H800-H804 AromaticContact NE2-CD2 3.82Å; H800-H804 AromaticContact NE2-CE1 3.92Å; H800-H804 AromaticContact NE2-NE2 2.93Å; H800-H804 PolarHBondContact NE2-NE2 2.86Å; G801-H804 PolarHBondContact O-N 2.93Å; H804-G806 VanDerWaalsContact C-N 3.29Å
805	T	68.1	Low	77	Confident	51 Å²	51	61.1 Å²	61.1	31%	0.313	37%	0.371	S	S	.	.	H	α-helix	trans	-76.2	-20.3	175.8	57.2	0	0	0	0	112.7	G801 R802 E807	G801-T805 PolarHBondContact O-N 2.9Å; G801-T805 VanDerWaalsContact O-N 3.11Å; G801-T805 PolarHBondContact O-OG1 3.43Å; R802-T805 WeakPolarHBondContact CA-OG1 3.21Å; R802-T805 PolarHBondContact O-OG1 2.91Å; T805-E807 VanDerWaalsContact CB-CD 3.49Å; T805-E807 VanDerWaalsContact CB-OE2 3.3Å; T805-E807 WeakPolarHBondContact CB-OE2 3.37Å; T805-E807 PolarHBondContact O-N 2.78Å; T805-E807 WeakPolarHBondContact OG1-CB 3.49Å; T805-E807 VanDerWaalsContact OG1-CG 3.27Å; T805-E807 WeakPolarHBondContact OG1-CG 3.43Å; T805-E807 PolarHBondContact OG1-N 3.16Å; T805-E807 PolarHBondContact OG1-OE2 2.96Å
806	G	72	Confident	76.9	Confident	52 Å²	52	61.2 Å²	61.2	54%	0.536	38%	0.378	S	S	.	.			trans	75.6	6.2	-170.9	0	0	0	0	0	113.1	R802 H804 R808	R802-G806 CarbonylContact O-C 3.29Å; R802-G806 WeakPolarHBondContact O-CA 3.15Å; R802-G806 PolarHBondContact O-N 3.2Å; R802-G806 VanDerWaalsContact O-N 3.08Å; H804-G806 VanDerWaalsContact C-N 3.29Å; G806-R808 PolarHBondContact O-N 3.23Å
807	E	69.9	Low	77	Confident	81 Å²	81	64.5 Å²	64.5	38%	0.379	39%	0.386	S	S	.	.			trans	-68.4	114.5	-176.6	-71.9	161.7	159.3	0	0	110.3	R802 T805 P809	R802-E807 PolarHBondContact O-N 3.37Å; T805-E807 VanDerWaalsContact CB-CD 3.49Å; T805-E807 VanDerWaalsContact CB-OE2 3.3Å; T805-E807 WeakPolarHBondContact CB-OE2 3.37Å; T805-E807 PolarHBondContact O-N 2.78Å; T805-E807 WeakPolarHBondContact OG1-CB 3.49Å; T805-E807 VanDerWaalsContact OG1-CG 3.27Å; T805-E807 WeakPolarHBondContact OG1-CG 3.43Å; T805-E807 PolarHBondContact OG1-N 3.16Å; T805-E807 PolarHBondContact OG1-OE2 2.96Å; E807-P809 WeakPolarHBondContact O-CD 3.44Å
808	R	77.9	Confident	76.9	Confident	112 Å²	112	69.2 Å²	69.2	42%	0.423	40%	0.402	S	S	.	.			trans	-117.6	81.7	173.8	-64.5	167.1	77.9	148.4	5.1	107.5	G806 Y810 R818 F819	G806-R808 PolarHBondContact O-N 3.23Å; R808-Y810 VanDerWaalsContact C-N 3.35Å; R808-Y810 PolarHBondContact O-N 2.91Å; R808-R818 HydrophobicContact CB-CB 3.44Å; R808-R818 VanDerWaalsContact CB-CB 3.44Å; R808-R818 HydrophobicContact CG-CB 4.46Å; R808-R818 PolarHBondContact NE-O 3.37Å; R808-R818 PolarHBondContact NH2-O 3.41Å; R808-R818 PolarHBondContact O-NE 3.47Å; R808-R818 PolarHBondContact O-NH2 3.17Å; R808-R818 VanDerWaalsContact O-NH2 3.15Å; R808-F819 CarbonylContact C-O 3.25Å; R808-F819 WeakPolarHBondContact CA-O 3.46Å
809	P	77.8	Confident	76.9	Confident	69 Å²	69	67.8 Å²	67.8	45%	0.448	39%	0.39	S	S	.	.			trans	-67.5	-35.1	-171.5	-20.7	34	0	0	0	112.9	E807 A811 F819	E807-P809 WeakPolarHBondContact O-CD 3.44Å; P809-A811 PolarHBondContact O-N 2.84Å; P809-F819 WeakPolarHBondContact CD-O 3.4Å
810	Y	82	Confident	76.9	Confident	76 Å²	76	67.7 Å²	67.7	30%	0.298	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	99.9	-170.5	-50.6	-84.9	0	0	0	109.8	R808 R818 F819	R808-Y810 VanDerWaalsContact C-N 3.35Å; R808-Y810 PolarHBondContact O-N 2.91Å; Y810-R818 CarbonylContact O-C 3.43Å; Y810-R818 WeakPolarHBondContact O-CA 3.48Å; Y810-F819 WeakPolarHBondContact CD2-O 3.48Å; Y810-F819 PolarHBondContact N-O 2.93Å; Y810-F819 PolarHBondContact O-N 3.26Å
811	A	82.1	Confident	76.8	Confident	55 Å²	55	70.5 Å²	70.5	46%	0.455	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	140	177.4	0	0	0	0	0	111.7	P809 R818 L825	P809-A811 PolarHBondContact O-N 2.84Å; A811-R818 HydrophobicContact CB-CG 4.2Å; A811-L825 WeakPolarHBondContact O-CD2 3.35Å
812	C	85.5	Confident	77	Confident	2 Å²	2	72 Å²	72	1%	0.014	41%	0.411	C	S	.	.			trans	-82.9	124.6	170.8	-151.8	0	0	0	0	109.5	E814 G816 R817 L825 H828 H832	C812-E814 PolarHBondContact SG-OE2 3.48Å; C812-G816 WeakPolarHBondContact O-CA 3.42Å; C812-G816 PolarHBondContact O-N 3.28Å; C812-R817 WeakPolarHBondContact CB-O 3.33Å; C812-R817 PolarHBondContact N-O 3.03Å; C812-L825 HydrophobicContact CB-CD1 3.51Å; C812-H828 VanDerWaalsContact SG-CD2 3.56Å; C812-H832 VanDerWaalsContact SG-CD2 3.53Å; C812-H832 PolarHBondContact SG-NE2 3.3Å; C812-H832 VanDerWaalsContact SG-NE2 3.36Å
813	G	79.3	Confident	76.9	Confident	76 Å²	76	71.8 Å²	71.8	78%	0.784	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-47.7	179.5	0	0	0	0	0	112.5	C815	G813-C815 VanDerWaalsContact C-N 3.28Å; G813-C815 PolarHBondContact O-N 2.88Å
814	E	76.6	Confident	77.1	Confident	120 Å²	120	68.7 Å²	68.7	56%	0.561	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-14.3	-169.9	-50.7	112	126.8	0	0	114.8	C812 H832	C812-E814 PolarHBondContact SG-OE2 3.48Å; E814-H832 IonicContact OE1-CD2 3.47Å; E814-H832 IonicContact OE2-CD2 3.41Å; E814-H832 PolarHBondContact OE2-CD2 3.04Å
815	C	79.8	Confident	77.6	Confident	53 Å²	53	66.2 Å²	66.2	36%	0.358	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149	8.6	-174	70	0	0	0	0	115.7	G813 R817 H828 H832	G813-C815 VanDerWaalsContact C-N 3.28Å; G813-C815 PolarHBondContact O-N 2.88Å; C815-R817 PolarHBondContact O-N 2.86Å; C815-H828 PolarHBondContact SG-NE2 2.89Å; C815-H832 PolarHBondContact SG-CE1 3.31Å; C815-H832 PolarHBondContact SG-NE2 3.04Å
816	G	75.1	Confident	78.1	Confident	52 Å²	52	67.1 Å²	67.1	54%	0.536	39%	0.392	S	S	.	.			trans	64.3	-3.4	-179.9	0	0	0	0	0	116.3	C812 R818	C812-G816 WeakPolarHBondContact O-CA 3.42Å; C812-G816 PolarHBondContact O-N 3.28Å; G816-R818 WeakPolarHBondContact O-CG 3.16Å; G816-R818 PolarHBondContact O-N 3.3Å
817	R	77.6	Confident	78.2	Confident	154 Å²	154	73.3 Å²	73.3	58%	0.581	40%	0.399	S	S	*	.			trans	-64.5	124.4	-178	-70.8	-179.1	-179.1	-145.3	4.5	110.4	C812 C815 F819 H828	C812-R817 WeakPolarHBondContact CB-O 3.33Å; C812-R817 PolarHBondContact N-O 3.03Å; C815-R817 PolarHBondContact O-N 2.86Å; R817-F819 HydrophobicContact CB-CE2 3.81Å; R817-F819 HydrophobicContact CB-CZ 4.06Å; R817-F819 WeakPolarHBondContact O-CD2 3.36Å; R817-F819 VanDerWaalsContact O-CE2 3.27Å; R817-F819 WeakPolarHBondContact O-CE2 3.42Å; R817-H828 WeakPolarHBondContact CD-NE2 3.47Å
818	R	78.4	Confident	78.7	Confident	136 Å²	136	70.7 Å²	70.7	51%	0.513	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	151	-177.9	-51.1	-177.2	65.9	144.7	4.1	111.3	R808 Y810 A811 G816	R808-R818 HydrophobicContact CB-CB 3.44Å; R808-R818 VanDerWaalsContact CB-CB 3.44Å; R808-R818 HydrophobicContact CG-CB 4.46Å; R808-R818 PolarHBondContact NE-O 3.37Å; R808-R818 PolarHBondContact NH2-O 3.41Å; R808-R818 PolarHBondContact O-NE 3.47Å; R808-R818 PolarHBondContact O-NH2 3.17Å; R808-R818 VanDerWaalsContact O-NH2 3.15Å; Y810-R818 CarbonylContact O-C 3.43Å; Y810-R818 WeakPolarHBondContact O-CA 3.48Å; A811-R818 HydrophobicContact CB-CG 4.2Å; G816-R818 WeakPolarHBondContact O-CG 3.16Å; G816-R818 PolarHBondContact O-N 3.3Å
819	F	80.4	Confident	78.7	Confident	38 Å²	38	69 Å²	69	17%	0.167	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	151	179.9	-62.6	-88.9	0	0	0	111.4	R808 P809 Y810 R817 Q821 A824 L825 H828	R808-F819 CarbonylContact C-O 3.25Å; R808-F819 WeakPolarHBondContact CA-O 3.46Å; P809-F819 WeakPolarHBondContact CD-O 3.4Å; Y810-F819 WeakPolarHBondContact CD2-O 3.48Å; Y810-F819 PolarHBondContact N-O 2.93Å; Y810-F819 PolarHBondContact O-N 3.26Å; R817-F819 HydrophobicContact CB-CE2 3.81Å; R817-F819 HydrophobicContact CB-CZ 4.06Å; R817-F819 WeakPolarHBondContact O-CD2 3.36Å; R817-F819 VanDerWaalsContact O-CE2 3.27Å; R817-F819 WeakPolarHBondContact O-CE2 3.42Å; F819-Q821 VanDerWaalsContact C-N 3.34Å; F819-A824 HydrophobicContact CB-CB 4.23Å; F819-A824 HydrophobicContact CD1-CB 4.05Å; F819-A824 HydrophobicContact CG-CB 4.42Å; F819-L825 HydrophobicContact CB-CB 4.23Å; F819-L825 HydrophobicContact CD2-CB 3.91Å; F819-L825 HydrophobicContact CD2-CD1 3.91Å; F819-L825 HydrophobicContact CE2-CD1 4.15Å; F819-L825 HydrophobicContact CG-CB 4.24Å; F819-H828 HydrophobicContact CE1-CB 4.09Å; F819-H828 HydrophobicContact CE2-CB 3.91Å; F819-H828 AromaticContact CE2-CD2 3.23Å; F819-H828 WeakPolarHBondContact CE2-CD2 3.44Å; F819-H828 AromaticContact CE2-CG 3.7Å; F819-H828 HydrophobicContact CZ-CB 3.56Å; F819-H828 AromaticContact CZ-CD2 3.29Å; F819-H828 WeakPolarHBondContact CZ-CD2 3.44Å; F819-H828 AromaticContact CZ-CG 3.33Å; F819-H828 AromaticContact CZ-NE2 3.99Å
820	G	74.8	Confident	78.8	Confident	22 Å²	22	70.6 Å²	70.6	23%	0.227	38%	0.38	C	S	.	.	S	Bend	trans	-83.3	-5.8	176.8	0	0	0	0	0	114.5	R802	R802-G820 WeakPolarHBondContact CD-O 3.36Å; R802-G820 PolarHBondContact NH1-O 3.14Å
821	Q	78.5	Confident	78.2	Confident	96 Å²	96	69.7 Å²	69.7	45%	0.449	39%	0.389	S	S	.	.	S	Bend	trans	-143.3	140.8	-176.7	-62.6	171.5	8	0	0	109.2	A799 F819 A824 L825	A799-Q821 HydrophobicContact CB-CG 4.23Å; F819-Q821 VanDerWaalsContact C-N 3.34Å; Q821-A824 HydrophobicContact CB-CB 4.05Å; Q821-A824 WeakPolarHBondContact O-CB 3.48Å; Q821-A824 PolarHBondContact O-N 3.43Å; Q821-L825 PolarHBondContact O-N 3.04Å
822	S	77.6	Confident	77.8	Confident	55 Å²	55	69.9 Å²	69.9	39%	0.385	38%	0.38	S	S	.	.	H	α-helix	trans	-56.8	-55.6	176.5	43.7	0	0	0	0	111.2	A824 L825 T826	S822-A824 PolarHBondContact O-N 3.38Å; S822-L825 CarbonylContact O-C 3.18Å; S822-L825 WeakPolarHBondContact O-CA 3.4Å; S822-L825 WeakPolarHBondContact O-CB 3.48Å; S822-L825 PolarHBondContact O-N 3.1Å; S822-T826 PolarHBondContact O-N 3.07Å; S822-T826 PolarHBondContact O-OG1 3.15Å; S822-T826 VanDerWaalsContact O-OG1 3.13Å
823	A	77.4	Confident	77.1	Confident	57 Å²	57	71.3 Å²	71.3	47%	0.471	39%	0.392	S	S	.	.	H	α-helix	trans	-57.5	-20.8	178.1	0	0	0	0	0	114.4	R827	A823-R827 WeakPolarHBondContact O-CB 3.41Å; A823-R827 PolarHBondContact O-N 3.42Å; A823-R827 VanDerWaalsContact O-N 3.11Å
824	A	77.9	Confident	76.3	Confident	12 Å²	12	76 Å²	76	10%	0.099	39%	0.394	C	S	.	.	H	α-helix	trans	-80.9	-31.7	172.7	0	0	0	0	0	112.8	F819 Q821 S822 H828	F819-A824 HydrophobicContact CB-CB 4.23Å; F819-A824 HydrophobicContact CD1-CB 4.05Å; F819-A824 HydrophobicContact CG-CB 4.42Å; Q821-A824 HydrophobicContact CB-CB 4.05Å; Q821-A824 WeakPolarHBondContact O-CB 3.48Å; Q821-A824 PolarHBondContact O-N 3.43Å; S822-A824 PolarHBondContact O-N 3.38Å; A824-H828 WeakPolarHBondContact O-CB 3.42Å; A824-H828 PolarHBondContact O-N 3.34Å
825	L	81.3	Confident	75.5	Confident	21 Å²	21	76.2 Å²	76.2	11%	0.11	40%	0.395	C	S	.	.	H	α-helix	trans	-69.4	-49.5	167.1	170.5	61.2	0	0	0	110.8	A811 C812 F819 Q821 S822 R827 H828 Q829	A811-L825 WeakPolarHBondContact O-CD2 3.35Å; C812-L825 HydrophobicContact CB-CD1 3.51Å; F819-L825 HydrophobicContact CB-CB 4.23Å; F819-L825 HydrophobicContact CD2-CB 3.91Å; F819-L825 HydrophobicContact CD2-CD1 3.91Å; F819-L825 HydrophobicContact CE2-CD1 4.15Å; F819-L825 HydrophobicContact CG-CB 4.24Å; Q821-L825 PolarHBondContact O-N 3.04Å; S822-L825 CarbonylContact O-C 3.18Å; S822-L825 WeakPolarHBondContact O-CA 3.4Å; S822-L825 WeakPolarHBondContact O-CB 3.48Å; S822-L825 PolarHBondContact O-N 3.1Å; L825-R827 VanDerWaalsContact C-N 3.29Å; L825-R827 PolarHBondContact O-N 2.9Å; L825-H828 CarbonylContact O-C 3.57Å; L825-H828 VanDerWaalsContact O-CA 3.3Å; L825-H828 WeakPolarHBondContact O-CA 3.38Å; L825-H828 VanDerWaalsContact O-CB 3.31Å; L825-H828 WeakPolarHBondContact O-CB 3.42Å; L825-H828 PolarHBondContact O-N 3.23Å; L825-Q829 HydrophobicContact CD1-CG 4.08Å; L825-Q829 HydrophobicContact CG-CG 4.45Å; L825-Q829 PolarHBondContact O-N 3.05Å
826	T	77.8	Confident	75.4	Confident	71 Å²	71	76.4 Å²	76.4	44%	0.436	39%	0.389	S	S	.	.	H	α-helix	trans	-57.7	-43.1	178.8	-40.9	0	0	0	0	111.4	S822 H828 Q829	S822-T826 PolarHBondContact O-N 3.07Å; S822-T826 PolarHBondContact O-OG1 3.15Å; S822-T826 VanDerWaalsContact O-OG1 3.13Å; T826-H828 PolarHBondContact O-N 3.08Å; T826-Q829 PolarHBondContact O-N 3.13Å
827	R	75.3	Confident	75.5	Confident	182 Å²	182	77.4 Å²	77.4	69%	0.687	39%	0.387	S	S	*	.	H	α-helix	trans	-62.5	-27.3	172.3	-175.2	178.3	63	-150.2	-6.1	113.3	A823 L825	A823-R827 WeakPolarHBondContact O-CB 3.41Å; A823-R827 PolarHBondContact O-N 3.42Å; A823-R827 VanDerWaalsContact O-N 3.11Å; L825-R827 VanDerWaalsContact C-N 3.29Å; L825-R827 PolarHBondContact O-N 2.9Å
828	H	78.9	Confident	75.5	Confident	25 Å²	25	73 Å²	73	12%	0.116	37%	0.372	C	S	.	.	H	α-helix	trans	-83.8	-31.6	178.6	175	50.9	0	0	0	113.2	C812 C815 R817 F819 A824 L825 T826 W830 A831 H832	C812-H828 VanDerWaalsContact SG-CD2 3.56Å; C815-H828 PolarHBondContact SG-NE2 2.89Å; R817-H828 WeakPolarHBondContact CD-NE2 3.47Å; F819-H828 HydrophobicContact CE1-CB 4.09Å; F819-H828 HydrophobicContact CE2-CB 3.91Å; F819-H828 AromaticContact CE2-CD2 3.23Å; F819-H828 WeakPolarHBondContact CE2-CD2 3.44Å; F819-H828 AromaticContact CE2-CG 3.7Å; F819-H828 HydrophobicContact CZ-CB 3.56Å; F819-H828 AromaticContact CZ-CD2 3.29Å; F819-H828 WeakPolarHBondContact CZ-CD2 3.44Å; F819-H828 AromaticContact CZ-CG 3.33Å; F819-H828 AromaticContact CZ-NE2 3.99Å; A824-H828 WeakPolarHBondContact O-CB 3.42Å; A824-H828 PolarHBondContact O-N 3.34Å; L825-H828 CarbonylContact O-C 3.57Å; L825-H828 VanDerWaalsContact O-CA 3.3Å; L825-H828 WeakPolarHBondContact O-CA 3.38Å; L825-H828 VanDerWaalsContact O-CB 3.31Å; L825-H828 WeakPolarHBondContact O-CB 3.42Å; L825-H828 PolarHBondContact O-N 3.23Å; T826-H828 PolarHBondContact O-N 3.08Å; H828-W830 PolarHBondContact O-N 3.07Å; H828-A831 WeakPolarHBondContact O-CA 3.19Å; H828-A831 WeakPolarHBondContact O-CB 3.35Å; H828-A831 PolarHBondContact O-N 3.37Å; H828-H832 AromaticContact CD2-NE2 3.72Å; H828-H832 AromaticContact CE1-CE1 3.51Å; H828-H832 AromaticContact CE1-NE2 3.37Å; H828-H832 PolarHBondContact CE1-NE2 2.84Å; H828-H832 AromaticContact NE2-CE1 3.54Å; H828-H832 AromaticContact NE2-NE2 3.05Å; H828-H832 PolarHBondContact NE2-NE2 3.41Å
829	Q	78.7	Confident	75.6	Confident	76 Å²	76	72.6 Å²	72.6	36%	0.355	37%	0.371	S	S	.	.	H	α-helix	trans	-59.5	-33.6	175.9	-71.4	167.9	-75.1	0	0	111.6	L825 T826 A831 H832 A833	L825-Q829 HydrophobicContact CD1-CG 4.08Å; L825-Q829 HydrophobicContact CG-CG 4.45Å; L825-Q829 PolarHBondContact O-N 3.05Å; T826-Q829 PolarHBondContact O-N 3.13Å; Q829-A831 PolarHBondContact O-N 3.17Å; Q829-H832 PolarHBondContact O-N 3.45Å; Q829-A833 PolarHBondContact O-N 2.83Å
830	W	78.9	Confident	75.7	Confident	103 Å²	103	70.8 Å²	70.8	39%	0.39	36%	0.363	S	S	.	.	H	α-helix	trans	-63.1	-1.6	168.7	-58.2	115.3	0	0	0	115.7	H828 A833 K836 P837	H828-W830 PolarHBondContact O-N 3.07Å; W830-A833 HydrophobicContact CE3-CB 3.95Å; W830-A833 HydrophobicContact CZ3-CB 4.46Å; W830-K836 WeakPolarHBondContact O-CE 3.45Å; W830-P837 HydrophobicContact CE3-CG 3.97Å; W830-P837 HydrophobicContact CH2-CG 3.65Å; W830-P837 HydrophobicContact CZ2-CG 4.36Å; W830-P837 VanDerWaalsContact CZ3-CD 3.48Å; W830-P837 HydrophobicContact CZ3-CG 3.43Å; W830-P837 VanDerWaalsContact CZ3-CG 3.43Å
831	A	71.4	Confident	75.8	Confident	58 Å²	58	74.7 Å²	74.7	48%	0.479	38%	0.384	S	S	.	.	H	α-helix	trans	-84.7	-33.8	167.8	0	0	0	0	0	112.1	H828 Q829	H828-A831 WeakPolarHBondContact O-CA 3.19Å; H828-A831 WeakPolarHBondContact O-CB 3.35Å; H828-A831 PolarHBondContact O-N 3.37Å; Q829-A831 PolarHBondContact O-N 3.17Å
832	H	71.9	Confident	75.7	Confident	59 Å²	59	74.6 Å²	74.6	27%	0.273	39%	0.387	S	S	.	.	H	α-helix	trans	-86.8	-34.7	177.9	-47.2	-50	0	0	0	111.5	C812 E814 C815 H828 Q829 E834	C812-H832 VanDerWaalsContact SG-CD2 3.53Å; C812-H832 PolarHBondContact SG-NE2 3.3Å; C812-H832 VanDerWaalsContact SG-NE2 3.36Å; E814-H832 IonicContact OE1-CD2 3.47Å; E814-H832 IonicContact OE2-CD2 3.41Å; E814-H832 PolarHBondContact OE2-CD2 3.04Å; C815-H832 PolarHBondContact SG-CE1 3.31Å; C815-H832 PolarHBondContact SG-NE2 3.04Å; H828-H832 AromaticContact CD2-NE2 3.72Å; H828-H832 AromaticContact CE1-CE1 3.51Å; H828-H832 AromaticContact CE1-NE2 3.37Å; H828-H832 PolarHBondContact CE1-NE2 2.84Å; H828-H832 AromaticContact NE2-CE1 3.54Å; H828-H832 AromaticContact NE2-NE2 3.05Å; H828-H832 PolarHBondContact NE2-NE2 3.41Å; Q829-H832 PolarHBondContact O-N 3.45Å; H832-E834 PolarHBondContact O-N 3.16Å
833	A	70.9	Confident	75.9	Confident	31 Å²	31	74.3 Å²	74.3	26%	0.256	39%	0.385	S	S	.	.			trans	-56.3	114.6	170.3	0	0	0	0	0	110.7	Q829 W830 K836	Q829-A833 PolarHBondContact O-N 2.83Å; W830-A833 HydrophobicContact CE3-CB 3.95Å; W830-A833 HydrophobicContact CZ3-CB 4.46Å; A833-K836 PolarHBondContact O-NZ 3.39Å
834	E	62.9	Low	75.8	Confident	175 Å²	175	74.2 Å²	74.2	82%	0.818	39%	0.389	S	S	*	.	S	Bend	trans	-69.2	-43.2	177.2	-55.3	-166.6	146.7	0	0	110.1	H832 K836	H832-E834 PolarHBondContact O-N 3.16Å; E834-K836 PolarHBondContact O-N 2.9Å
835	E	60.8	Low	75.7	Confident	125 Å²	125	79.5 Å²	79.5	58%	0.584	41%	0.41	S	S	*	.	S	Bend	trans	-69.8	106.9	164.5	-73.6	-59.7	111.3	0	0	110.8	R839	E835-R839 VanDerWaalsContact CD-NH1 3.25Å; E835-R839 IonicContact OE1-CZ 3.94Å; E835-R839 IonicContact OE1-NH1 3.84Å; E835-R839 PolarHBondContact OE1-NH1 3.16Å; E835-R839 IonicContact OE1-NH2 3.98Å; E835-R839 PolarHBondContact OE1-NH2 3.39Å; E835-R839 IonicContact OE2-CZ 2.78Å; E835-R839 IonicContact OE2-NH1 3.6Å; E835-R839 PolarHBondContact OE2-NH1 3.02Å; E835-R839 IonicContact OE2-NH2 2.78Å
836	K	77.9	Confident	75.4	Confident	56 Å²	56	79.9 Å²	79.9	24%	0.243	42%	0.419	C	S	.	.			trans	-106.1	114	177.1	-72.1	173.7	175.3	61.1	0	109.2	W830 A833 E834 H838	W830-K836 WeakPolarHBondContact O-CE 3.45Å; A833-K836 PolarHBondContact O-NZ 3.39Å; E834-K836 PolarHBondContact O-N 2.9Å; K836-H838 PolarHBondContact O-N 3.22Å
837	P	75.4	Confident	75.4	Confident	74 Å²	74	78.9 Å²	78.9	48%	0.481	41%	0.408	S	S	.	.	S	Bend	trans	-55.5	-10	-165.5	-32	35.4	0	0	0	118.6	W830	W830-P837 HydrophobicContact CE3-CG 3.97Å; W830-P837 HydrophobicContact CH2-CG 3.65Å; W830-P837 HydrophobicContact CZ2-CG 4.36Å; W830-P837 VanDerWaalsContact CZ3-CD 3.48Å; W830-P837 HydrophobicContact CZ3-CG 3.43Å; W830-P837 VanDerWaalsContact CZ3-CG 3.43Å
838	H	77.6	Confident	75.3	Confident	60 Å²	60	71.5 Å²	71.5	28%	0.278	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	83.6	175.1	-49.9	-55.7	0	0	0	111.1	K836 F847 S850 F853	K836-H838 PolarHBondContact O-N 3.22Å; H838-F847 WeakPolarHBondContact CB-O 3.38Å; H838-F847 PolarHBondContact N-O 3.48Å; H838-F847 VanDerWaalsContact N-O 3.17Å; H838-F847 PolarHBondContact O-N 2.92Å; H838-S850 VanDerWaalsContact CD2-CA 3.46Å; H838-S850 WeakPolarHBondContact CD2-CA 3.3Å; H838-S850 PolarHBondContact CD2-N 3.36Å; H838-S850 PolarHBondContact NE2-N 3.38Å; H838-S850 VanDerWaalsContact NE2-N 3.19Å; H838-F853 HydrophobicContact CB-CB 3.63Å; H838-F853 HydrophobicContact CB-CD1 3.88Å; H838-F853 HydrophobicContact CB-CG 3.94Å
839	R	80.8	Confident	75.1	Confident	128 Å²	128	75 Å²	75	48%	0.483	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	140.1	166.7	-73.4	-179.7	168.2	123.8	2.4	110.7	E835	E835-R839 VanDerWaalsContact CD-NH1 3.25Å; E835-R839 IonicContact OE1-CZ 3.94Å; E835-R839 IonicContact OE1-NH1 3.84Å; E835-R839 PolarHBondContact OE1-NH1 3.16Å; E835-R839 IonicContact OE1-NH2 3.98Å; E835-R839 PolarHBondContact OE1-NH2 3.39Å; E835-R839 IonicContact OE2-CZ 2.78Å; E835-R839 IonicContact OE2-NH1 3.6Å; E835-R839 PolarHBondContact OE2-NH1 3.02Å; E835-R839 IonicContact OE2-NH2 2.78Å
840	C	82.2	Confident	75	Confident	1 Å²	1	73.1 Å²	73.1	1%	0.007	40%	0.4	C	S	.	.			trans	-88.6	121.9	175.9	-162.3	0	0	0	0	109.8	D842 C843 G844 K845 F853 H856 H860	C840-D842 VanDerWaalsContact C-N 3.32Å; C840-D842 PolarHBondContact O-N 3.21Å; C840-D842 PolarHBondContact SG-OD2 3.21Å; C840-D842 VanDerWaalsContact SG-OD2 3.33Å; C840-C843 PolarHBondContact O-N 2.88Å; C840-G844 WeakPolarHBondContact O-CA 3.41Å; C840-G844 PolarHBondContact O-N 3.16Å; C840-K845 WeakPolarHBondContact CB-O 3.43Å; C840-K845 PolarHBondContact N-O 3.44Å; C840-F853 HydrophobicContact CB-CD2 4.15Å; C840-F853 HydrophobicContact CB-CE2 3.96Å; C840-H856 VanDerWaalsContact SG-CD2 3.5Å; C840-H860 VanDerWaalsContact SG-CD2 3.51Å
841	P	77	Confident	75	Confident	104 Å²	104	71 Å²	71	68%	0.675	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-41.9	-177.4	24.4	-33	0	0	0	111.6	C843	P841-C843 PolarHBondContact O-N 3.44Å; P841-C843 VanDerWaalsContact O-N 3.11Å
842	D	76.8	Confident	75.4	Confident	94 Å²	94	70.6 Å²	70.6	50%	0.503	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-14	-172	-29.2	-82.7	0	0	0	114.5	C840 H860	C840-D842 VanDerWaalsContact C-N 3.32Å; C840-D842 PolarHBondContact O-N 3.21Å; C840-D842 PolarHBondContact SG-OD2 3.21Å; C840-D842 VanDerWaalsContact SG-OD2 3.33Å; D842-H860 HydrophobicContact CB-CB 4.15Å; D842-H860 IonicContact OD2-CD2 3.5Å; D842-H860 PolarHBondContact OD2-CD2 3.43Å; D842-H860 IonicContact OD2-CG 2.72Å
843	C	81.5	Confident	75.8	Confident	49 Å²	49	69.3 Å²	69.3	33%	0.331	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.4	21.5	178.7	81	0	0	0	0	115.9	C840 P841 K845 H856 H860	C840-C843 PolarHBondContact O-N 2.88Å; P841-C843 PolarHBondContact O-N 3.44Å; P841-C843 VanDerWaalsContact O-N 3.11Å; C843-K845 PolarHBondContact O-N 2.9Å; C843-H856 PolarHBondContact SG-NE2 2.96Å; C843-H860 VanDerWaalsContact SG-CE1 3.57Å; C843-H860 PolarHBondContact SG-NE2 3.09Å; C843-H860 VanDerWaalsContact SG-NE2 3.38Å
844	G	75.2	Confident	76.2	Confident	54 Å²	54	73.2 Å²	73.2	56%	0.557	40%	0.395	S	S	*	.			trans	66.2	-7.2	175.7	0	0	0	0	0	117.8	C840 G846	C840-G844 WeakPolarHBondContact O-CA 3.41Å; C840-G844 PolarHBondContact O-N 3.16Å; G844-G846 PolarHBondContact O-N 3.3Å
845	K	76.3	Confident	77.1	Confident	124 Å²	124	70.3 Å²	70.3	54%	0.539	38%	0.377	S	S	.	.			trans	-70.4	120.9	-170.5	-73.1	175	-171.6	167.1	0	111.9	C840 C843 F847	C840-K845 WeakPolarHBondContact CB-O 3.43Å; C840-K845 PolarHBondContact N-O 3.44Å; C843-K845 PolarHBondContact O-N 2.9Å; K845-F847 HydrophobicContact CB-CE2 3.71Å; K845-F847 HydrophobicContact CB-CZ 4.12Å; K845-F847 VanDerWaalsContact O-CD2 3.27Å; K845-F847 WeakPolarHBondContact O-CD2 3.48Å; K845-F847 VanDerWaalsContact O-CE2 3.22Å; K845-F847 WeakPolarHBondContact O-CE2 3.37Å
846	G	74.4	Confident	78.1	Confident	29 Å²	29	65.7 Å²	65.7	30%	0.299	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	138.2	175	0	0	0	0	0	113.6	G844	G844-G846 PolarHBondContact O-N 3.3Å
847	F	77.9	Confident	78.2	Confident	49 Å²	49	67.5 Å²	67.5	22%	0.215	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.4	175.8	-62.3	-94.5	0	0	0	110.4	H838 K845 H849 D852 F853 H856	H838-F847 WeakPolarHBondContact CB-O 3.38Å; H838-F847 PolarHBondContact N-O 3.48Å; H838-F847 VanDerWaalsContact N-O 3.17Å; H838-F847 PolarHBondContact O-N 2.92Å; K845-F847 HydrophobicContact CB-CE2 3.71Å; K845-F847 HydrophobicContact CB-CZ 4.12Å; K845-F847 VanDerWaalsContact O-CD2 3.27Å; K845-F847 WeakPolarHBondContact O-CD2 3.48Å; K845-F847 VanDerWaalsContact O-CE2 3.22Å; K845-F847 WeakPolarHBondContact O-CE2 3.37Å; F847-H849 PolarHBondContact O-N 3.13Å; F847-D852 HydrophobicContact CB-CB 4.45Å; F847-D852 HydrophobicContact CD1-CB 3.94Å; F847-F853 HydrophobicContact CB-CB 4.25Å; F847-F853 HydrophobicContact CD2-CB 4.31Å; F847-F853 HydrophobicContact CG-CB 4.43Å; F847-H856 HydrophobicContact CE1-CB 4.05Å; F847-H856 HydrophobicContact CE2-CB 3.95Å; F847-H856 AromaticContact CE2-CD2 3.14Å; F847-H856 WeakPolarHBondContact CE2-CD2 3.35Å; F847-H856 AromaticContact CE2-CG 3.7Å; F847-H856 AromaticContact CE2-NE2 3.95Å; F847-H856 HydrophobicContact CZ-CB 3.58Å; F847-H856 AromaticContact CZ-CD2 3.3Å; F847-H856 WeakPolarHBondContact CZ-CD2 3.25Å; F847-H856 AromaticContact CZ-CG 3.4Å
848	G	73.6	Confident	78.6	Confident	27 Å²	27	67.5 Å²	67.5	28%	0.278	35%	0.351	S	S	.	.	S	Bend	trans	-74.2	3.1	177.3	0	0	0	0	0	115.5
849	H	75.6	Confident	78.6	Confident	100 Å²	100	69 Å²	69	46%	0.463	37%	0.365	S	S	.	.	S	Bend	trans	-154.2	140.6	175.5	-172.2	-115.9	0	0	0	114.1	F847 S851 D852 F853	F847-H849 PolarHBondContact O-N 3.13Å; H849-S851 PolarHBondContact CE1-OG 3.37Å; H849-S851 WeakPolarHBondContact ND1-CB 3.48Å; H849-S851 PolarHBondContact ND1-N 3.35Å; H849-S851 PolarHBondContact ND1-OG 2.88Å; H849-S851 PolarHBondContact O-N 2.93Å; H849-S851 VanDerWaalsContact O-N 3.17Å; H849-D852 PolarHBondContact O-N 2.87Å; H849-F853 PolarHBondContact O-N 2.95Å
850	S	76.4	Confident	78.5	Confident	35 Å²	35	66.4 Å²	66.4	25%	0.245	36%	0.358	C	S	.	.	H	α-helix	trans	-62.9	-27.1	-171.6	78.6	0	0	0	0	113.7	H838 D852 K854	H838-S850 VanDerWaalsContact CD2-CA 3.46Å; H838-S850 WeakPolarHBondContact CD2-CA 3.3Å; H838-S850 PolarHBondContact CD2-N 3.36Å; H838-S850 PolarHBondContact NE2-N 3.38Å; H838-S850 VanDerWaalsContact NE2-N 3.19Å; S850-D852 VanDerWaalsContact C-N 3.29Å; S850-D852 PolarHBondContact O-N 3.16Å; S850-K854 VanDerWaalsContact O-CB 3.26Å; S850-K854 WeakPolarHBondContact O-CB 3.34Å; S850-K854 WeakPolarHBondContact O-CD 3.39Å; S850-K854 WeakPolarHBondContact O-CG 3.2Å; S850-K854 PolarHBondContact O-N 2.93Å
851	S	78.8	Confident	78.2	Confident	58 Å²	58	69.9 Å²	69.9	41%	0.406	38%	0.379	S	S	.	.	H	α-helix	trans	-66.3	-33.2	174.9	68.6	0	0	0	0	112.3	H849 R855	H849-S851 PolarHBondContact CE1-OG 3.37Å; H849-S851 WeakPolarHBondContact ND1-CB 3.48Å; H849-S851 PolarHBondContact ND1-N 3.35Å; H849-S851 PolarHBondContact ND1-OG 2.88Å; H849-S851 PolarHBondContact O-N 2.93Å; H849-S851 VanDerWaalsContact O-N 3.17Å; S851-R855 WeakPolarHBondContact O-CB 3.42Å; S851-R855 PolarHBondContact O-N 3.23Å
852	D	79	Confident	78.3	Confident	51 Å²	51	66.5 Å²	66.5	27%	0.273	36%	0.363	S	S	.	.	H	α-helix	trans	-83.1	-36.9	-177.5	-71.8	-40.1	0	0	0	111.8	F847 H849 S850 R855 H856	F847-D852 HydrophobicContact CB-CB 4.45Å; F847-D852 HydrophobicContact CD1-CB 3.94Å; H849-D852 PolarHBondContact O-N 2.87Å; S850-D852 VanDerWaalsContact C-N 3.29Å; S850-D852 PolarHBondContact O-N 3.16Å; D852-R855 PolarHBondContact O-N 3.16Å; D852-R855 IonicContact OD1-CZ 3.4Å; D852-R855 IonicContact OD1-NE 3.15Å; D852-R855 PolarHBondContact OD1-NE 2.98Å; D852-R855 IonicContact OD1-NH2 3.21Å; D852-R855 PolarHBondContact OD1-NH2 3.07Å; D852-H856 VanDerWaalsContact O-CB 3.26Å; D852-H856 WeakPolarHBondContact O-CB 3.32Å; D852-H856 PolarHBondContact O-N 3.1Å
853	F	80.5	Confident	78.3	Confident	32 Å²	32	66 Å²	66	14%	0.14	36%	0.358	C	S	.	.	H	α-helix	trans	-59.1	-50.3	164.2	170	-136.6	0	0	0	111.7	H838 C840 F847 H849 R855 H856 R857	H838-F853 HydrophobicContact CB-CB 3.63Å; H838-F853 HydrophobicContact CB-CD1 3.88Å; H838-F853 HydrophobicContact CB-CG 3.94Å; C840-F853 HydrophobicContact CB-CD2 4.15Å; C840-F853 HydrophobicContact CB-CE2 3.96Å; F847-F853 HydrophobicContact CB-CB 4.25Å; F847-F853 HydrophobicContact CD2-CB 4.31Å; F847-F853 HydrophobicContact CG-CB 4.43Å; H849-F853 PolarHBondContact O-N 2.95Å; F853-R855 VanDerWaalsContact C-N 3.26Å; F853-R855 PolarHBondContact O-N 3.33Å; F853-H856 PolarHBondContact O-N 2.9Å; F853-H856 VanDerWaalsContact O-N 3.09Å; F853-R857 HydrophobicContact CE2-CB 4.22Å; F853-R857 PolarHBondContact O-N 3.07Å
854	K	79.9	Confident	78.3	Confident	112 Å²	112	69.5 Å²	69.5	49%	0.487	37%	0.368	S	S	.	.	H	α-helix	trans	-59.7	-34.9	176.4	-73.1	164.3	-175.4	164.7	0	112.4	S850	S850-K854 VanDerWaalsContact O-CB 3.26Å; S850-K854 WeakPolarHBondContact O-CB 3.34Å; S850-K854 WeakPolarHBondContact O-CD 3.39Å; S850-K854 WeakPolarHBondContact O-CG 3.2Å; S850-K854 PolarHBondContact O-N 2.93Å
855	R	81	Confident	78.5	Confident	115 Å²	115	70.5 Å²	70.5	43%	0.434	36%	0.364	S	S	.	.	H	α-helix	trans	-73.4	-33.1	175.7	178.7	165.9	70.4	130.2	-5	112.7	S851 D852 F853 Q877	S851-R855 WeakPolarHBondContact O-CB 3.42Å; S851-R855 PolarHBondContact O-N 3.23Å; D852-R855 PolarHBondContact O-N 3.16Å; D852-R855 IonicContact OD1-CZ 3.4Å; D852-R855 IonicContact OD1-NE 3.15Å; D852-R855 PolarHBondContact OD1-NE 2.98Å; D852-R855 IonicContact OD1-NH2 3.21Å; D852-R855 PolarHBondContact OD1-NH2 3.07Å; F853-R855 VanDerWaalsContact C-N 3.26Å; F853-R855 PolarHBondContact O-N 3.33Å; R855-Q877 HydrophobicContact CG-CG 4.27Å
856	H	81.8	Confident	78.7	Confident	27 Å²	27	67.8 Å²	67.8	13%	0.125	35%	0.352	C	S	.	.	H	α-helix	trans	-76	-43.2	175.6	173.5	42.9	0	0	0	112.3	C840 C843 F847 D852 F853 R858 T859 H860	C840-H856 VanDerWaalsContact SG-CD2 3.5Å; C843-H856 PolarHBondContact SG-NE2 2.96Å; F847-H856 HydrophobicContact CE1-CB 4.05Å; F847-H856 HydrophobicContact CE2-CB 3.95Å; F847-H856 AromaticContact CE2-CD2 3.14Å; F847-H856 WeakPolarHBondContact CE2-CD2 3.35Å; F847-H856 AromaticContact CE2-CG 3.7Å; F847-H856 AromaticContact CE2-NE2 3.95Å; F847-H856 HydrophobicContact CZ-CB 3.58Å; F847-H856 AromaticContact CZ-CD2 3.3Å; F847-H856 WeakPolarHBondContact CZ-CD2 3.25Å; F847-H856 AromaticContact CZ-CG 3.4Å; D852-H856 VanDerWaalsContact O-CB 3.26Å; D852-H856 WeakPolarHBondContact O-CB 3.32Å; D852-H856 PolarHBondContact O-N 3.1Å; F853-H856 PolarHBondContact O-N 2.9Å; F853-H856 VanDerWaalsContact O-N 3.09Å; H856-R858 PolarHBondContact O-N 3.4Å; H856-T859 PolarHBondContact ND1-OG1 3.03Å; H856-T859 WeakPolarHBondContact O-CB 3.47Å; H856-T859 PolarHBondContact O-N 3.27Å; H856-T859 PolarHBondContact O-OG1 2.93Å; H856-H860 AromaticContact CE1-CE1 3.58Å; H856-H860 AromaticContact CE1-NE2 3.23Å; H856-H860 PolarHBondContact CE1-NE2 2.96Å; H856-H860 AromaticContact NE2-CE1 3.88Å; H856-H860 AromaticContact NE2-NE2 3.14Å; H856-H860 PolarHBondContact NE2-NE2 3.25Å; H856-H860 VanDerWaalsContact NE2-NE2 3.14Å
857	R	80.3	Confident	79.1	Confident	95 Å²	95	75.7 Å²	75.7	36%	0.358	37%	0.373	S	S	.	.	H	α-helix	trans	-56.6	-29.8	-178.5	-165.3	170.1	69	-140.5	14.2	113	F853 T859 H860 T861	F853-R857 HydrophobicContact CE2-CB 4.22Å; F853-R857 PolarHBondContact O-N 3.07Å; R857-T859 PolarHBondContact O-N 2.91Å; R857-T859 VanDerWaalsContact O-N 3.17Å; R857-H860 PolarHBondContact O-N 2.95Å; R857-T861 HydrophobicContact CG-CG2 4.25Å; R857-T861 PolarHBondContact O-N 3.17Å; R857-T861 PolarHBondContact O-OG1 2.76Å
858	R	83.8	Confident	79.5	Confident	73 Å²	73	73.5 Å²	73.5	28%	0.275	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-14.5	170.2	-62.6	-171	-175.8	140.2	9.5	115.6	H856 H860 T861 G862 E863 A876	H856-R858 PolarHBondContact O-N 3.4Å; R858-H860 VanDerWaalsContact C-N 3.34Å; R858-T861 WeakPolarHBondContact CA-OG1 3.43Å; R858-G862 PolarHBondContact O-N 3.18Å; R858-E863 HydrophobicContact CB-CB 4.13Å; R858-E863 HydrophobicContact CG-CB 3.88Å; R858-E863 IonicContact NE-OE2 2.78Å; R858-A876 HydrophobicContact CB-CB 4.15Å; R858-A876 PolarHBondContact NH1-O 3.31Å
859	T	77.3	Confident	79.9	Confident	93 Å²	93	76.8 Å²	76.8	57%	0.571	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-22.7	170.4	66.9	0	0	0	0	112.2	H856 R857	H856-T859 PolarHBondContact ND1-OG1 3.03Å; H856-T859 WeakPolarHBondContact O-CB 3.47Å; H856-T859 PolarHBondContact O-N 3.27Å; H856-T859 PolarHBondContact O-OG1 2.93Å; R857-T859 PolarHBondContact O-N 2.91Å; R857-T859 VanDerWaalsContact O-N 3.17Å
860	H	78.2	Confident	80	Confident	72 Å²	72	75.7 Å²	75.7	33%	0.333	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-50.2	176.7	-51.4	-47	0	0	0	110.9	C840 D842 C843 H856 R857 R858 G862	C840-H860 VanDerWaalsContact SG-CD2 3.51Å; D842-H860 HydrophobicContact CB-CB 4.15Å; D842-H860 IonicContact OD2-CD2 3.5Å; D842-H860 PolarHBondContact OD2-CD2 3.43Å; D842-H860 IonicContact OD2-CG 2.72Å; C843-H860 VanDerWaalsContact SG-CE1 3.57Å; C843-H860 PolarHBondContact SG-NE2 3.09Å; C843-H860 VanDerWaalsContact SG-NE2 3.38Å; H856-H860 AromaticContact CE1-CE1 3.58Å; H856-H860 AromaticContact CE1-NE2 3.23Å; H856-H860 PolarHBondContact CE1-NE2 2.96Å; H856-H860 AromaticContact NE2-CE1 3.88Å; H856-H860 AromaticContact NE2-NE2 3.14Å; H856-H860 PolarHBondContact NE2-NE2 3.25Å; H856-H860 VanDerWaalsContact NE2-NE2 3.14Å; R857-H860 PolarHBondContact O-N 2.95Å; R858-H860 VanDerWaalsContact C-N 3.34Å; H860-G862 PolarHBondContact O-N 3.21Å; H860-G862 VanDerWaalsContact O-N 3.12Å
861	T	77.1	Confident	80.3	Confident	74 Å²	74	77 Å²	77	45%	0.454	40%	0.395	S	S	.	.	S	Bend	trans	-70	-6.5	176	65.1	0	0	0	0	113.6	R857 R858 E863	R857-T861 HydrophobicContact CG-CG2 4.25Å; R857-T861 PolarHBondContact O-N 3.17Å; R857-T861 PolarHBondContact O-OG1 2.76Å; R858-T861 WeakPolarHBondContact CA-OG1 3.43Å; T861-E863 WeakPolarHBondContact CB-OE1 3.42Å; T861-E863 PolarHBondContact O-N 3.02Å; T861-E863 VanDerWaalsContact OG1-CD 3.29Å; T861-E863 WeakPolarHBondContact OG1-CG 3.45Å; T861-E863 PolarHBondContact OG1-OE1 3.18Å
862	G	78.7	Confident	80.3	Confident	33 Å²	33	76.5 Å²	76.5	34%	0.34	40%	0.399	S	S	.	.			trans	66.7	1	179	0	0	0	0	0	115.4	R858 H860 K864	R858-G862 PolarHBondContact O-N 3.18Å; H860-G862 PolarHBondContact O-N 3.21Å; H860-G862 VanDerWaalsContact O-N 3.12Å; G862-K864 WeakPolarHBondContact O-CD 3.5Å; G862-K864 WeakPolarHBondContact O-CE 3.35Å; G862-K864 WeakPolarHBondContact O-CG 3.25Å; G862-K864 PolarHBondContact O-N 3.3Å
863	E	77.5	Confident	80.5	Confident	83 Å²	83	82.1 Å²	82.1	39%	0.388	42%	0.416	S	S	.	.			trans	-50.6	126.5	-175.6	-84.7	169.3	-117.4	0	0	113	R858 T861 A876	R858-E863 HydrophobicContact CB-CB 4.13Å; R858-E863 HydrophobicContact CG-CB 3.88Å; R858-E863 IonicContact NE-OE2 2.78Å; T861-E863 WeakPolarHBondContact CB-OE1 3.42Å; T861-E863 PolarHBondContact O-N 3.02Å; T861-E863 VanDerWaalsContact OG1-CD 3.29Å; T861-E863 WeakPolarHBondContact OG1-CG 3.45Å; T861-E863 PolarHBondContact OG1-OE1 3.18Å; E863-A876 WeakPolarHBondContact O-CA 3.45Å; E863-A876 WeakPolarHBondContact O-CB 3.47Å
864	K	81.1	Confident	80.5	Confident	124 Å²	124	81.6 Å²	81.6	54%	0.539	42%	0.42	S	S	.	.			trans	-127.4	70.3	179.6	-73.7	148.4	-170.4	151.3	0	111.5	G862 F866 F875	G862-K864 WeakPolarHBondContact O-CD 3.5Å; G862-K864 WeakPolarHBondContact O-CE 3.35Å; G862-K864 WeakPolarHBondContact O-CG 3.25Å; G862-K864 PolarHBondContact O-N 3.3Å; K864-F866 PolarHBondContact O-N 3.19Å; K864-F866 VanDerWaalsContact O-N 3.17Å; K864-F875 CarbonylContact C-O 3.56Å; K864-F875 WeakPolarHBondContact CA-O 3.48Å
865	P	78.8	Confident	80.5	Confident	75 Å²	75	78 Å²	78	49%	0.487	41%	0.405	S	S	.	.			trans	-64.2	-21.3	-175.3	-21.5	34.4	0	0	0	114.1
866	F	81.8	Confident	80.5	Confident	66 Å²	66	73.8 Å²	73.8	29%	0.289	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	88.8	-175.6	-52.7	-76.8	0	0	0	109.9	K864 F875 Q877 R878 L881	K864-F866 PolarHBondContact O-N 3.19Å; K864-F866 VanDerWaalsContact O-N 3.17Å; F866-F875 WeakPolarHBondContact CB-O 3.33Å; F866-F875 PolarHBondContact N-O 3.21Å; F866-F875 VanDerWaalsContact N-O 3.1Å; F866-F875 PolarHBondContact O-N 2.99Å; F866-Q877 VanDerWaalsContact CD2-C 3.47Å; F866-R878 HydrophobicContact CD1-CB 3.8Å; F866-R878 HydrophobicContact CD1-CG 4.2Å; F866-R878 HydrophobicContact CD2-CB 4.41Å; F866-R878 VanDerWaalsContact CD2-N 3.29Å; F866-R878 HydrophobicContact CE1-CB 3.83Å; F866-R878 HydrophobicContact CE1-CG 4.39Å; F866-R878 HydrophobicContact CE2-CB 4.43Å; F866-R878 HydrophobicContact CG-CB 4.1Å; F866-R878 HydrophobicContact CZ-CB 4.15Å; F866-L881 HydrophobicContact CB-CB 4.27Å; F866-L881 HydrophobicContact CB-CD2 3.91Å
867	R	83.1	Confident	80.5	Confident	195 Å²	195	74.8 Å²	74.8	74%	0.736	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	146	173.9	-65.5	-177.4	-176.9	172.6	-0.1	111.4	L881	R867-L881 WeakPolarHBondContact O-CD2 3.18Å
868	C	85.2	Confident	80.5	Confident	3 Å²	3	79.4 Å²	79.4	2%	0.02	42%	0.416	C	S	.	.			trans	-81.6	124.8	170.8	-162.9	0	0	0	0	109.8	D870 C871 G872 R873 F875 L881	C868-D870 VanDerWaalsContact C-N 3.26Å; C868-D870 PolarHBondContact O-N 2.92Å; C868-D870 PolarHBondContact SG-OD2 3.27Å; C868-C871 VanDerWaalsContact CB-SG 3.6Å; C868-G872 WeakPolarHBondContact O-CA 3.36Å; C868-G872 PolarHBondContact O-N 2.83Å; C868-R873 WeakPolarHBondContact CB-O 3.49Å; C868-R873 PolarHBondContact N-O 3.07Å; C868-F875 HydrophobicContact CB-CE2 4.48Å; C868-L881 HydrophobicContact CB-CD1 3.57Å
869	A	81.2	Confident	80.3	Confident	97 Å²	97	78.9 Å²	78.9	80%	0.802	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-37.7	173.7	0	0	0	0	0	111.1	C871	A869-C871 VanDerWaalsContact C-N 3.29Å; A869-C871 PolarHBondContact O-N 3.13Å
870	D	77.9	Confident	80.6	Confident	76 Å²	76	77.5 Å²	77.5	41%	0.406	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-10.9	-170.1	-27.9	-87	0	0	0	113.4	C868 R885 H888	C868-D870 VanDerWaalsContact C-N 3.26Å; C868-D870 PolarHBondContact O-N 2.92Å; C868-D870 PolarHBondContact SG-OD2 3.27Å; D870-R885 IonicContact OD1-CZ 2.64Å; D870-R885 IonicContact OD1-NE 2.71Å; D870-R885 IonicContact OD1-NH2 3.59Å; D870-R885 PolarHBondContact OD1-NH2 3.22Å; D870-R885 IonicContact OD2-CZ 3.75Å; D870-R885 IonicContact OD2-NE 3.72Å; D870-R885 PolarHBondContact OD2-NE 3.15Å; D870-R885 IonicContact OD2-NH2 2.88Å; D870-R885 PolarHBondContact OD2-NH2 3.44Å; D870-H888 HydrophobicContact CB-CB 4.38Å; D870-H888 IonicContact OD2-CD2 3.46Å
871	C	83.7	Confident	80.8	Confident	63 Å²	63	75.1 Å²	75.1	43%	0.426	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.2	10.9	-179.8	72.4	0	0	0	0	115.9	C868 A869 R873 H884 H888	C868-C871 VanDerWaalsContact CB-SG 3.6Å; A869-C871 VanDerWaalsContact C-N 3.29Å; A869-C871 PolarHBondContact O-N 3.13Å; C871-R873 PolarHBondContact O-N 3.17Å; C871-R873 VanDerWaalsContact SG-CB 3.58Å; C871-H884 PolarHBondContact SG-NE2 3.03Å; C871-H888 PolarHBondContact SG-NE2 3.39Å
872	G	79.3	Confident	80.9	Confident	48 Å²	48	73.9 Å²	73.9	50%	0.495	40%	0.399	S	S	.	.			trans	68.8	-19.6	-176.6	0	0	0	0	0	116.7	C868 G874	C868-G872 WeakPolarHBondContact O-CA 3.36Å; C868-G872 PolarHBondContact O-N 2.83Å; G872-G874 PolarHBondContact O-N 3.12Å
873	R	81.9	Confident	81	Confident	169 Å²	169	76.9 Å²	76.9	64%	0.638	40%	0.403	S	S	*	.			trans	-59.8	125.2	-169	-164.9	170.3	-171.8	160.8	4.4	112.5	C868 C871 F875	C868-R873 WeakPolarHBondContact CB-O 3.49Å; C868-R873 PolarHBondContact N-O 3.07Å; C871-R873 PolarHBondContact O-N 3.17Å; C871-R873 VanDerWaalsContact SG-CB 3.58Å; R873-F875 HydrophobicContact CB-CE2 4.09Å; R873-F875 HydrophobicContact CB-CZ 4.39Å; R873-F875 HydrophobicContact CG-CE2 4.09Å; R873-F875 HydrophobicContact CG-CZ 4.01Å; R873-F875 WeakPolarHBondContact O-CD2 3.5Å; R873-F875 VanDerWaalsContact O-CE2 3.22Å; R873-F875 WeakPolarHBondContact O-CE2 3.44Å
874	G	80.2	Confident	81.2	Confident	21 Å²	21	75.2 Å²	75.2	22%	0.216	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	141.2	-178.7	0	0	0	0	0	114.5	G872	G872-G874 PolarHBondContact O-N 3.12Å
875	F	81.7	Confident	81.1	Confident	37 Å²	37	74.2 Å²	74.2	16%	0.162	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	142.8	176.4	-60	-91.3	0	0	0	111.7	K864 F866 C868 R873 Q877 N880 L881 H884	K864-F875 CarbonylContact C-O 3.56Å; K864-F875 WeakPolarHBondContact CA-O 3.48Å; F866-F875 WeakPolarHBondContact CB-O 3.33Å; F866-F875 PolarHBondContact N-O 3.21Å; F866-F875 VanDerWaalsContact N-O 3.1Å; F866-F875 PolarHBondContact O-N 2.99Å; C868-F875 HydrophobicContact CB-CE2 4.48Å; R873-F875 HydrophobicContact CB-CE2 4.09Å; R873-F875 HydrophobicContact CB-CZ 4.39Å; R873-F875 HydrophobicContact CG-CE2 4.09Å; R873-F875 HydrophobicContact CG-CZ 4.01Å; R873-F875 WeakPolarHBondContact O-CD2 3.5Å; R873-F875 VanDerWaalsContact O-CE2 3.22Å; R873-F875 WeakPolarHBondContact O-CE2 3.44Å; F875-Q877 PolarHBondContact O-N 3.06Å; F875-N880 HydrophobicContact CB-CB 4.43Å; F875-N880 HydrophobicContact CD1-CB 4Å; F875-L881 HydrophobicContact CB-CB 4.35Å; F875-L881 HydrophobicContact CD2-CB 4.01Å; F875-L881 HydrophobicContact CD2-CD1 3.93Å; F875-L881 HydrophobicContact CE2-CD1 4.11Å; F875-L881 HydrophobicContact CG-CB 4.31Å; F875-H884 HydrophobicContact CE1-CB 4.1Å; F875-H884 HydrophobicContact CE2-CB 4.01Å; F875-H884 AromaticContact CE2-CD2 3.3Å; F875-H884 WeakPolarHBondContact CE2-CD2 3.15Å; F875-H884 AromaticContact CE2-CG 3.78Å; F875-H884 HydrophobicContact CZ-CB 3.57Å; F875-H884 AromaticContact CZ-CD2 3.31Å; F875-H884 WeakPolarHBondContact CZ-CD2 3.24Å; F875-H884 AromaticContact CZ-CG 3.35Å; F875-H884 AromaticContact CZ-NE2 3.95Å
876	A	80.6	Confident	81.3	Confident	25 Å²	25	73.8 Å²	73.8	21%	0.207	38%	0.377	C	S	.	.	S	Bend	trans	-72.5	-13	176.5	0	0	0	0	0	114.2	R858 E863	R858-A876 HydrophobicContact CB-CB 4.15Å; R858-A876 PolarHBondContact NH1-O 3.31Å; E863-A876 WeakPolarHBondContact O-CA 3.45Å; E863-A876 WeakPolarHBondContact O-CB 3.47Å
877	Q	81.1	Confident	80.9	Confident	48 Å²	48	73.5 Å²	73.5	22%	0.224	39%	0.392	C	S	.	.	S	Bend	trans	-140.7	133.2	-176.5	-56.5	-177.1	32.3	0	0	111.6	R855 F866 F875 S879 N880 L881	R855-Q877 HydrophobicContact CG-CG 4.27Å; F866-Q877 VanDerWaalsContact CD2-C 3.47Å; F875-Q877 PolarHBondContact O-N 3.06Å; Q877-S879 PolarHBondContact O-N 2.85Å; Q877-N880 PolarHBondContact O-N 3.48Å; Q877-L881 PolarHBondContact O-N 3.19Å
878	R	80.3	Confident	80.6	Confident	193 Å²	193	68.1 Å²	68.1	73%	0.728	38%	0.375	S	S	*	.	H	α-helix	trans	-57.6	-32.9	177.7	-169.3	177.9	-179.8	-177.9	0.6	113.1	F866 N880 L881 A882	F866-R878 HydrophobicContact CD1-CB 3.8Å; F866-R878 HydrophobicContact CD1-CG 4.2Å; F866-R878 HydrophobicContact CD2-CB 4.41Å; F866-R878 VanDerWaalsContact CD2-N 3.29Å; F866-R878 HydrophobicContact CE1-CB 3.83Å; F866-R878 HydrophobicContact CE1-CG 4.39Å; F866-R878 HydrophobicContact CE2-CB 4.43Å; F866-R878 HydrophobicContact CG-CB 4.1Å; F866-R878 HydrophobicContact CZ-CB 4.15Å; R878-N880 PolarHBondContact O-N 3.28Å; R878-L881 PolarHBondContact O-N 3.12Å; R878-A882 WeakPolarHBondContact O-CB 3.47Å; R878-A882 PolarHBondContact O-N 2.85Å
879	S	79.9	Confident	79.9	Confident	61 Å²	61	71.1 Å²	71.1	43%	0.427	39%	0.394	S	S	.	.	H	α-helix	trans	-62	-38.4	175	50.9	0	0	0	0	113	Q877 A882 K883	Q877-S879 PolarHBondContact O-N 2.85Å; S879-A882 PolarHBondContact O-N 3.36Å; S879-K883 WeakPolarHBondContact O-CG 3.48Å; S879-K883 PolarHBondContact O-N 3.12Å
880	N	83.3	Confident	79.6	Confident	65 Å²	65	68.9 Å²	68.9	35%	0.348	38%	0.38	S	S	.	.	H	α-helix	trans	-75.2	-36.7	177.9	-69.7	-16.2	0	0	0	111.2	F875 Q877 R878 K883 H884	F875-N880 HydrophobicContact CB-CB 4.43Å; F875-N880 HydrophobicContact CD1-CB 4Å; Q877-N880 PolarHBondContact O-N 3.48Å; R878-N880 PolarHBondContact O-N 3.28Å; N880-K883 PolarHBondContact O-N 3.07Å; N880-H884 WeakPolarHBondContact O-CB 3.39Å; N880-H884 PolarHBondContact O-N 3.48Å
881	L	83.1	Confident	79.3	Confident	22 Å²	22	70 Å²	70	12%	0.115	38%	0.382	C	S	.	.	H	α-helix	trans	-59.3	-44.7	168.1	175.1	59.7	0	0	0	111.4	F866 R867 C868 F875 Q877 R878 K883 H884 R885	F866-L881 HydrophobicContact CB-CB 4.27Å; F866-L881 HydrophobicContact CB-CD2 3.91Å; R867-L881 WeakPolarHBondContact O-CD2 3.18Å; C868-L881 HydrophobicContact CB-CD1 3.57Å; F875-L881 HydrophobicContact CB-CB 4.35Å; F875-L881 HydrophobicContact CD2-CB 4.01Å; F875-L881 HydrophobicContact CD2-CD1 3.93Å; F875-L881 HydrophobicContact CE2-CD1 4.11Å; F875-L881 HydrophobicContact CG-CB 4.31Å; Q877-L881 PolarHBondContact O-N 3.19Å; R878-L881 PolarHBondContact O-N 3.12Å; L881-K883 VanDerWaalsContact C-N 3.29Å; L881-K883 PolarHBondContact O-N 2.94Å; L881-H884 WeakPolarHBondContact O-CB 3.33Å; L881-H884 PolarHBondContact O-N 3.17Å; L881-R885 HydrophobicContact CD1-CG 3.88Å; L881-R885 HydrophobicContact CG-CG 4.35Å; L881-R885 WeakPolarHBondContact O-CG 3.35Å; L881-R885 PolarHBondContact O-N 2.87Å
882	A	79.7	Confident	79	Confident	47 Å²	47	73.3 Å²	73.3	39%	0.388	39%	0.386	S	S	.	.	H	α-helix	trans	-69	-21	178	0	0	0	0	0	114.5	R878 S879 R886	R878-A882 WeakPolarHBondContact O-CB 3.47Å; R878-A882 PolarHBondContact O-N 2.85Å; S879-A882 PolarHBondContact O-N 3.36Å; A882-R886 PolarHBondContact O-NE 2.81Å
883	K	80.2	Confident	78.8	Confident	96 Å²	96	73.9 Å²	73.9	42%	0.417	38%	0.381	S	S	.	.	H	α-helix	trans	-78.1	-36.2	166.6	-72.2	173.2	-178.1	-179.7	0	111.7	S879 N880 L881	S879-K883 WeakPolarHBondContact O-CG 3.48Å; S879-K883 PolarHBondContact O-N 3.12Å; N880-K883 PolarHBondContact O-N 3.07Å; L881-K883 VanDerWaalsContact C-N 3.29Å; L881-K883 PolarHBondContact O-N 2.94Å
884	H	82.2	Confident	78.8	Confident	48 Å²	48	68.5 Å²	68.5	22%	0.222	36%	0.362	C	S	.	.	H	α-helix	trans	-71.8	-42.7	179.7	177.1	53.7	0	0	0	113	C871 F875 N880 L881 R886 G887 H888	C871-H884 PolarHBondContact SG-NE2 3.03Å; F875-H884 HydrophobicContact CE1-CB 4.1Å; F875-H884 HydrophobicContact CE2-CB 4.01Å; F875-H884 AromaticContact CE2-CD2 3.3Å; F875-H884 WeakPolarHBondContact CE2-CD2 3.15Å; F875-H884 AromaticContact CE2-CG 3.78Å; F875-H884 HydrophobicContact CZ-CB 3.57Å; F875-H884 AromaticContact CZ-CD2 3.31Å; F875-H884 WeakPolarHBondContact CZ-CD2 3.24Å; F875-H884 AromaticContact CZ-CG 3.35Å; F875-H884 AromaticContact CZ-NE2 3.95Å; N880-H884 WeakPolarHBondContact O-CB 3.39Å; N880-H884 PolarHBondContact O-N 3.48Å; L881-H884 WeakPolarHBondContact O-CB 3.33Å; L881-H884 PolarHBondContact O-N 3.17Å; H884-R886 VanDerWaalsContact C-N 3.26Å; H884-R886 PolarHBondContact O-N 3.14Å; H884-G887 WeakPolarHBondContact O-CA 3.48Å; H884-G887 PolarHBondContact O-N 3.39Å; H884-H888 AromaticContact CD2-NE2 3.9Å; H884-H888 AromaticContact CE1-CE1 3.95Å; H884-H888 AromaticContact CE1-NE2 3.57Å; H884-H888 AromaticContact NE2-CE1 3.95Å; H884-H888 AromaticContact NE2-NE2 3.2Å; H884-H888 PolarHBondContact NE2-NE2 3.15Å; H884-H888 VanDerWaalsContact NE2-NE2 3.2Å
885	R	78.7	Confident	79	Confident	104 Å²	104	70.7 Å²	70.7	39%	0.392	37%	0.372	S	S	.	.	H	α-helix	trans	-61.2	-31.4	178.5	-69.1	-163.8	75.3	-118.4	-2	113.5	D870 L881 G887 H888 T889	D870-R885 IonicContact OD1-CZ 2.64Å; D870-R885 IonicContact OD1-NE 2.71Å; D870-R885 IonicContact OD1-NH2 3.59Å; D870-R885 PolarHBondContact OD1-NH2 3.22Å; D870-R885 IonicContact OD2-CZ 3.75Å; D870-R885 IonicContact OD2-NE 3.72Å; D870-R885 PolarHBondContact OD2-NE 3.15Å; D870-R885 IonicContact OD2-NH2 2.88Å; D870-R885 PolarHBondContact OD2-NH2 3.44Å; L881-R885 HydrophobicContact CD1-CG 3.88Å; L881-R885 HydrophobicContact CG-CG 4.35Å; L881-R885 WeakPolarHBondContact O-CG 3.35Å; L881-R885 PolarHBondContact O-N 2.87Å; R885-G887 PolarHBondContact O-N 2.81Å; R885-H888 WeakPolarHBondContact O-CB 3.32Å; R885-H888 PolarHBondContact O-N 3.46Å; R885-T889 PolarHBondContact O-N 2.91Å; R885-T889 PolarHBondContact O-OG1 3.47Å
886	R	81.7	Confident	79.2	Confident	66 Å²	66	69 Å²	69	25%	0.249	37%	0.365	C	S	.	.	H	α-helix	trans	-63.4	-14.1	169.7	-77.3	-178.7	-88.4	-176.7	-26.7	114.3	A882 H884 E891 S904	A882-R886 PolarHBondContact O-NE 2.81Å; H884-R886 VanDerWaalsContact C-N 3.26Å; H884-R886 PolarHBondContact O-N 3.14Å; R886-E891 HydrophobicContact CB-CB 4.27Å; R886-E891 HydrophobicContact CG-CB 3.93Å; R886-E891 PolarHBondContact O-N 3.27Å; R886-S904 PolarHBondContact NH1-O 3.45Å
887	G	75	Confident	79.1	Confident	60 Å²	60	72.8 Å²	72.8	62%	0.619	39%	0.388	S	S	*	.	H	α-helix	trans	-76.5	-37.4	166.7	0	0	0	0	0	112.7	H884 R885	H884-G887 WeakPolarHBondContact O-CA 3.48Å; H884-G887 PolarHBondContact O-N 3.39Å; R885-G887 PolarHBondContact O-N 2.81Å
888	H	75.9	Confident	79	Confident	82 Å²	82	75.4 Å²	75.4	38%	0.38	40%	0.4	S	S	.	.	H	α-helix	trans	-76.2	-43.1	178.1	-62.8	-48.5	0	0	0	112.4	D870 C871 H884 R885 G890	D870-H888 HydrophobicContact CB-CB 4.38Å; D870-H888 IonicContact OD2-CD2 3.46Å; C871-H888 PolarHBondContact SG-NE2 3.39Å; H884-H888 AromaticContact CD2-NE2 3.9Å; H884-H888 AromaticContact CE1-CE1 3.95Å; H884-H888 AromaticContact CE1-NE2 3.57Å; H884-H888 AromaticContact NE2-CE1 3.95Å; H884-H888 AromaticContact NE2-NE2 3.2Å; H884-H888 PolarHBondContact NE2-NE2 3.15Å; H884-H888 VanDerWaalsContact NE2-NE2 3.2Å; R885-H888 WeakPolarHBondContact O-CB 3.32Å; R885-H888 PolarHBondContact O-N 3.46Å; H888-G890 PolarHBondContact O-N 3.1Å
889	T	70.8	Confident	79.1	Confident	66 Å²	66	68.4 Å²	68.4	41%	0.405	38%	0.38	S	S	.	.	S	Bend	trans	-78	-3	178.8	59	0	0	0	0	113.6	R885 E891	R885-T889 PolarHBondContact O-N 2.91Å; R885-T889 PolarHBondContact O-OG1 3.47Å; T889-E891 VanDerWaalsContact CB-OE1 3.25Å; T889-E891 WeakPolarHBondContact CB-OE1 3.33Å; T889-E891 PolarHBondContact O-N 2.93Å; T889-E891 WeakPolarHBondContact OG1-CG 3.38Å; T889-E891 PolarHBondContact OG1-OE1 3.27Å
890	G	74.4	Confident	79.1	Confident	49 Å²	49	68 Å²	68	51%	0.505	39%	0.385	S	S	.	.			trans	65.3	3	-175.9	0	0	0	0	0	114.8	H888 R892	H888-G890 PolarHBondContact O-N 3.1Å; G890-R892 WeakPolarHBondContact O-CG 3.37Å; G890-R892 PolarHBondContact O-N 3.46Å
891	E	70.8	Confident	79	Confident	99 Å²	99	70.4 Å²	70.4	46%	0.463	39%	0.393	S	S	.	.			trans	-57.7	117.7	-175.5	-83.6	168.7	-117.1	0	0	112.2	R886 T889 P893 S904	R886-E891 HydrophobicContact CB-CB 4.27Å; R886-E891 HydrophobicContact CG-CB 3.93Å; R886-E891 PolarHBondContact O-N 3.27Å; T889-E891 VanDerWaalsContact CB-OE1 3.25Å; T889-E891 WeakPolarHBondContact CB-OE1 3.33Å; T889-E891 PolarHBondContact O-N 2.93Å; T889-E891 WeakPolarHBondContact OG1-CG 3.38Å; T889-E891 PolarHBondContact OG1-OE1 3.27Å; E891-P893 WeakPolarHBondContact O-CD 3.32Å; E891-S904 WeakPolarHBondContact O-CB 3.33Å
892	R	77.4	Confident	78.9	Confident	134 Å²	134	75.6 Å²	75.6	51%	0.506	41%	0.411	S	S	.	.			trans	-121.9	79.3	174	-66.3	163.3	78.9	161.9	3.5	108.8	G890 F894 R902 F903	G890-R892 WeakPolarHBondContact O-CG 3.37Å; G890-R892 PolarHBondContact O-N 3.46Å; R892-F894 PolarHBondContact O-N 3.02Å; R892-R902 HydrophobicContact CB-CB 3.53Å; R892-R902 PolarHBondContact NE-O 3.22Å; R892-R902 PolarHBondContact NH2-O 3.24Å; R892-R902 PolarHBondContact O-NE 3.08Å; R892-R902 PolarHBondContact O-NH2 3Å; R892-R902 VanDerWaalsContact O-NH2 3.14Å; R892-F903 CarbonylContact C-O 3.23Å; R892-F903 VanDerWaalsContact C-O 3.23Å; R892-F903 VanDerWaalsContact CA-O 3.25Å; R892-F903 WeakPolarHBondContact CA-O 3.33Å
893	P	76.8	Confident	79	Confident	60 Å²	60	74.9 Å²	74.9	39%	0.39	40%	0.399	S	S	.	.			trans	-69.8	-17.7	-172.9	-19.8	34.2	0	0	0	114.1	E891 P895 F903	E891-P893 WeakPolarHBondContact O-CD 3.32Å; P893-P895 WeakPolarHBondContact O-CD 3.26Å; P893-F903 WeakPolarHBondContact CD-O 3.28Å
894	F	80.8	Confident	78.9	Confident	56 Å²	56	72.1 Å²	72.1	25%	0.246	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	89.2	-170.3	-55.4	-75.5	0	0	0	111	R892 R902 F903 R906 L909	R892-F894 PolarHBondContact O-N 3.02Å; F894-R902 CarbonylContact O-C 3.49Å; F894-R902 WeakPolarHBondContact O-CA 3.25Å; F894-F903 HydrophobicContact CB-CB 4.46Å; F894-F903 WeakPolarHBondContact CD2-O 3.35Å; F894-F903 PolarHBondContact N-O 3.16Å; F894-F903 VanDerWaalsContact N-O 3.09Å; F894-F903 PolarHBondContact O-N 3.2Å; F894-R906 HydrophobicContact CD1-CB 4.11Å; F894-R906 HydrophobicContact CE1-CB 3.96Å; F894-R906 HydrophobicContact CE2-CB 4.47Å; F894-R906 HydrophobicContact CG-CB 4.44Å; F894-R906 HydrophobicContact CZ-CB 4.15Å; F894-L909 HydrophobicContact CB-CB 4.2Å; F894-L909 HydrophobicContact CB-CD2 3.81Å
895	P	83.9	Confident	78.9	Confident	66 Å²	66	72.8 Å²	72.8	43%	0.429	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	144.1	172.2	31.3	-35.5	0	0	0	111.5	P893 R902 L909	P893-P895 WeakPolarHBondContact O-CD 3.26Å; P895-R902 HydrophobicContact CB-CG 4.35Å; P895-L909 WeakPolarHBondContact O-CD2 3.2Å
896	C	85.9	Confident	78.9	Confident	2 Å²	2	72.3 Å²	72.3	1%	0.014	39%	0.393	C	S	.	.			trans	-81.7	124.4	165.4	-177.8	0	0	0	0	109.9	E898 G900 K901 F903 L909	C896-E898 VanDerWaalsContact C-N 3.28Å; C896-E898 PolarHBondContact O-N 2.98Å; C896-G900 WeakPolarHBondContact O-CA 3.13Å; C896-G900 PolarHBondContact O-N 3.26Å; C896-K901 VanDerWaalsContact CB-O 3.31Å; C896-K901 WeakPolarHBondContact CB-O 3.18Å; C896-K901 PolarHBondContact N-O 2.89Å; C896-F903 HydrophobicContact CB-CE2 4.31Å; C896-L909 HydrophobicContact CB-CD1 3.57Å
897	P	78.6	Confident	78.8	Confident	105 Å²	105	72.5 Å²	72.5	68%	0.682	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-30	-177.8	26.2	-33.9	0	0	0	112.8
898	E	80.6	Confident	79.2	Confident	102 Å²	102	72.6 Å²	72.6	48%	0.477	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-18.5	-172.7	-65.7	157.1	-89.9	0	0	113.9	C896 H916	C896-E898 VanDerWaalsContact C-N 3.28Å; C896-E898 PolarHBondContact O-N 2.98Å; E898-H916 IonicContact OE1-CD2 3.18Å; E898-H916 WeakPolarHBondContact OE2-CB 3.34Å; E898-H916 IonicContact OE2-CD2 2.7Å; E898-H916 IonicContact OE2-CG 3.37Å
899	C	82.1	Confident	79.6	Confident	46 Å²	46	69.5 Å²	69.5	31%	0.311	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.3	7.3	-176.9	75.5	0	0	0	0	115.8	K901 H912 H916	C899-K901 PolarHBondContact O-N 3.25Å; C899-K901 VanDerWaalsContact SG-CG 3.59Å; C899-H912 PolarHBondContact SG-NE2 3.05Å; C899-H916 VanDerWaalsContact CB-NE2 3.25Å; C899-H916 WeakPolarHBondContact CB-NE2 3.29Å; C899-H916 PolarHBondContact SG-NE2 2.81Å
900	G	79.3	Confident	80.2	Confident	52 Å²	52	68.9 Å²	68.9	54%	0.536	38%	0.376	S	S	.	.			trans	68.7	-11.3	178.8	0	0	0	0	0	116.1	C896 R902	C896-G900 WeakPolarHBondContact O-CA 3.13Å; C896-G900 PolarHBondContact O-N 3.26Å; G900-R902 WeakPolarHBondContact O-CG 3.43Å; G900-R902 PolarHBondContact O-N 2.71Å
901	K	81.4	Confident	80.5	Confident	116 Å²	116	68.3 Å²	68.3	50%	0.504	36%	0.362	S	S	.	.			trans	-60	121.7	-179.1	-68.4	175.3	-173.4	169.4	0	110.1	C896 C899 F903	C896-K901 VanDerWaalsContact CB-O 3.31Å; C896-K901 WeakPolarHBondContact CB-O 3.18Å; C896-K901 PolarHBondContact N-O 2.89Å; C899-K901 PolarHBondContact O-N 3.25Å; C899-K901 VanDerWaalsContact SG-CG 3.59Å; K901-F903 HydrophobicContact CB-CE2 3.86Å; K901-F903 HydrophobicContact CB-CZ 3.97Å; K901-F903 WeakPolarHBondContact O-CD2 3.32Å; K901-F903 WeakPolarHBondContact O-CE2 3.47Å
902	R	79.9	Confident	81.2	Confident	132 Å²	132	64.8 Å²	64.8	50%	0.498	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	150	-178.6	-51	-176.4	67.1	126.5	1.8	111.4	R892 F894 P895 G900	R892-R902 HydrophobicContact CB-CB 3.53Å; R892-R902 PolarHBondContact NE-O 3.22Å; R892-R902 PolarHBondContact NH2-O 3.24Å; R892-R902 PolarHBondContact O-NE 3.08Å; R892-R902 PolarHBondContact O-NH2 3Å; R892-R902 VanDerWaalsContact O-NH2 3.14Å; F894-R902 CarbonylContact O-C 3.49Å; F894-R902 WeakPolarHBondContact O-CA 3.25Å; P895-R902 HydrophobicContact CB-CG 4.35Å; G900-R902 WeakPolarHBondContact O-CG 3.43Å; G900-R902 PolarHBondContact O-N 2.71Å
903	F	81.8	Confident	81.4	Confident	31 Å²	31	61.1 Å²	61.1	14%	0.136	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	149.9	178.5	-61	-85.2	0	0	0	111.7	R892 P893 F894 C896 K901 V908 L909 H912	R892-F903 CarbonylContact C-O 3.23Å; R892-F903 VanDerWaalsContact C-O 3.23Å; R892-F903 VanDerWaalsContact CA-O 3.25Å; R892-F903 WeakPolarHBondContact CA-O 3.33Å; P893-F903 WeakPolarHBondContact CD-O 3.28Å; F894-F903 HydrophobicContact CB-CB 4.46Å; F894-F903 WeakPolarHBondContact CD2-O 3.35Å; F894-F903 PolarHBondContact N-O 3.16Å; F894-F903 VanDerWaalsContact N-O 3.09Å; F894-F903 PolarHBondContact O-N 3.2Å; C896-F903 HydrophobicContact CB-CE2 4.31Å; K901-F903 HydrophobicContact CB-CE2 3.86Å; K901-F903 HydrophobicContact CB-CZ 3.97Å; K901-F903 WeakPolarHBondContact O-CD2 3.32Å; K901-F903 WeakPolarHBondContact O-CE2 3.47Å; F903-V908 HydrophobicContact CB-CB 4.49Å; F903-V908 HydrophobicContact CD1-CB 4.13Å; F903-V908 HydrophobicContact CD1-CG1 3.51Å; F903-V908 HydrophobicContact CE1-CG1 3.98Å; F903-V908 HydrophobicContact CG-CG1 4.35Å; F903-L909 HydrophobicContact CB-CB 4.29Å; F903-L909 HydrophobicContact CD2-CB 3.99Å; F903-L909 HydrophobicContact CD2-CD1 3.98Å; F903-L909 HydrophobicContact CE2-CD1 4.25Å; F903-L909 HydrophobicContact CG-CB 4.34Å; F903-H912 HydrophobicContact CE1-CB 4.36Å; F903-H912 HydrophobicContact CE2-CB 4.12Å; F903-H912 AromaticContact CE2-CD2 3.27Å; F903-H912 WeakPolarHBondContact CE2-CD2 3.39Å; F903-H912 AromaticContact CE2-CG 3.88Å; F903-H912 HydrophobicContact CZ-CB 3.81Å; F903-H912 AromaticContact CZ-CD2 3.25Å; F903-H912 WeakPolarHBondContact CZ-CD2 3.36Å; F903-H912 AromaticContact CZ-CG 3.5Å; F903-H912 VanDerWaalsContact CZ-CG 3.5Å; F903-H912 AromaticContact CZ-NE2 3.9Å
904	S	79.9	Confident	81.8	Confident	39 Å²	39	60.7 Å²	60.7	27%	0.273	33%	0.325	S	S	.	.	S	Bend	trans	-81.8	-14.2	177.8	53.5	0	0	0	0	113.4	R886 E891	R886-S904 PolarHBondContact NH1-O 3.45Å; E891-S904 WeakPolarHBondContact O-CB 3.33Å
905	Q	80.9	Confident	81.7	Confident	62 Å²	62	61.9 Å²	61.9	29%	0.29	34%	0.337	S	S	.	.	S	Bend	trans	-139.3	133.2	-179.6	-58.3	-175.4	56.2	0	0	111.5	S907 V908 L909	Q905-S907 VanDerWaalsContact C-N 3.29Å; Q905-S907 PolarHBondContact O-N 3.17Å; Q905-V908 HydrophobicContact CB-CG2 4.17Å; Q905-V908 PolarHBondContact O-N 2.97Å; Q905-L909 PolarHBondContact O-N 2.94Å
906	R	79.5	Confident	81.5	Confident	93 Å²	93	62.7 Å²	62.7	35%	0.351	34%	0.335	S	S	.	.	H	α-helix	trans	-54.4	-38.5	177.7	178.8	176.1	169.9	137.3	-5.5	113.4	D291 D293 F894 V908 L909 V910	D291-R906 IonicContact OD1-CZ 3.78Å; D291-R906 IonicContact OD1-NE 3.18Å; D291-R906 IonicContact OD1-NH2 3.81Å; D291-R906 PolarHBondContact OD1-NH2 2.82Å; D293-R906 IonicContact OD1-CZ 3.9Å; D293-R906 IonicContact OD1-NH1 3.96Å; D293-R906 PolarHBondContact OD1-NH1 3.35Å; D293-R906 WeakPolarHBondContact OD2-CD 3.35Å; D293-R906 IonicContact OD2-CZ 3.65Å; D293-R906 IonicContact OD2-NE 3.72Å; D293-R906 PolarHBondContact OD2-NE 3.22Å; D293-R906 IonicContact OD2-NH1 3.79Å; D293-R906 PolarHBondContact OD2-NH1 3.31Å; F894-R906 HydrophobicContact CD1-CB 4.11Å; F894-R906 HydrophobicContact CE1-CB 3.96Å; F894-R906 HydrophobicContact CE2-CB 4.47Å; F894-R906 HydrophobicContact CG-CB 4.44Å; F894-R906 HydrophobicContact CZ-CB 4.15Å; R906-V908 VanDerWaalsContact C-N 3.27Å; R906-V908 PolarHBondContact O-N 2.85Å; R906-L909 WeakPolarHBondContact O-CB 3.33Å; R906-L909 PolarHBondContact O-N 3.49Å; R906-L909 VanDerWaalsContact O-N 3.15Å; R906-V910 HydrophobicContact CG-CG2 4.3Å; R906-V910 WeakPolarHBondContact O-CG2 3.35Å; R906-V910 PolarHBondContact O-N 2.84Å
907	S	79.4	Confident	81.2	Confident	71 Å²	71	66.2 Å²	66.2	50%	0.497	36%	0.356	S	S	.	.	H	α-helix	trans	-61	-33.1	176.8	51.5	0	0	0	0	113.5	Q905 T911	Q905-S907 VanDerWaalsContact C-N 3.29Å; Q905-S907 PolarHBondContact O-N 3.17Å; S907-T911 WeakPolarHBondContact O-CB 3.5Å; S907-T911 WeakPolarHBondContact O-CG2 3.41Å; S907-T911 PolarHBondContact O-N 2.9Å; S907-T911 VanDerWaalsContact O-N 3.08Å; S907-T911 PolarHBondContact O-OG1 3.28Å
908	V	82.4	Confident	81.2	Confident	61 Å²	61	63.5 Å²	63.5	37%	0.37	35%	0.348	S	S	.	.	H	α-helix	trans	-77.9	-35.1	176.8	-171.7	0	0	0	0	110.3	F903 Q905 R906 T911 H912	F903-V908 HydrophobicContact CB-CB 4.49Å; F903-V908 HydrophobicContact CD1-CB 4.13Å; F903-V908 HydrophobicContact CD1-CG1 3.51Å; F903-V908 HydrophobicContact CE1-CG1 3.98Å; F903-V908 HydrophobicContact CG-CG1 4.35Å; Q905-V908 HydrophobicContact CB-CG2 4.17Å; Q905-V908 PolarHBondContact O-N 2.97Å; R906-V908 VanDerWaalsContact C-N 3.27Å; R906-V908 PolarHBondContact O-N 2.85Å; V908-T911 WeakPolarHBondContact CA-OG1 3.11Å; V908-T911 PolarHBondContact O-OG1 3.05Å; V908-H912 WeakPolarHBondContact O-CB 3.34Å; V908-H912 PolarHBondContact O-N 3.23Å
909	L	85.1	Confident	81.1	Confident	17 Å²	17	63.4 Å²	63.4	9%	0.089	35%	0.347	C	S	.	.	H	α-helix	trans	-61.2	-50.8	169.1	171.1	59.3	0	0	0	111.4	F894 P895 C896 F903 Q905 R906 T911 H912 Q913	F894-L909 HydrophobicContact CB-CB 4.2Å; F894-L909 HydrophobicContact CB-CD2 3.81Å; P895-L909 WeakPolarHBondContact O-CD2 3.2Å; C896-L909 HydrophobicContact CB-CD1 3.57Å; F903-L909 HydrophobicContact CB-CB 4.29Å; F903-L909 HydrophobicContact CD2-CB 3.99Å; F903-L909 HydrophobicContact CD2-CD1 3.98Å; F903-L909 HydrophobicContact CE2-CD1 4.25Å; F903-L909 HydrophobicContact CG-CB 4.34Å; Q905-L909 PolarHBondContact O-N 2.94Å; R906-L909 WeakPolarHBondContact O-CB 3.33Å; R906-L909 PolarHBondContact O-N 3.49Å; R906-L909 VanDerWaalsContact O-N 3.15Å; L909-T911 PolarHBondContact O-N 2.98Å; L909-H912 CarbonylContact O-C 3.52Å; L909-H912 WeakPolarHBondContact O-CA 3.32Å; L909-H912 WeakPolarHBondContact O-CB 3.36Å; L909-H912 PolarHBondContact O-N 3.07Å; L909-Q913 HydrophobicContact CD1-CG 3.87Å; L909-Q913 HydrophobicContact CG-CG 4.37Å; L909-Q913 WeakPolarHBondContact O-CG 3.34Å; L909-Q913 PolarHBondContact O-N 3.38Å
910	V	82.4	Confident	81	Confident	54 Å²	54	67.7 Å²	67.7	33%	0.327	36%	0.357	S	S	.	.	H	α-helix	trans	-62.8	-41.8	-178.1	172.5	0	0	0	0	111.9	R906 H912 Q913 R914	R906-V910 HydrophobicContact CG-CG2 4.3Å; R906-V910 WeakPolarHBondContact O-CG2 3.35Å; R906-V910 PolarHBondContact O-N 2.84Å; V910-H912 PolarHBondContact O-N 3.18Å; V910-Q913 PolarHBondContact O-N 2.74Å; V910-R914 PolarHBondContact O-N 3.32Å
911	T	82.6	Confident	81.1	Confident	37 Å²	37	68 Å²	68	23%	0.227	35%	0.349	C	S	.	.	H	α-helix	trans	-71	-18.2	174.2	50	0	0	0	0	113.4	S907 V908 L909 Q933	S907-T911 WeakPolarHBondContact O-CB 3.5Å; S907-T911 WeakPolarHBondContact O-CG2 3.41Å; S907-T911 PolarHBondContact O-N 2.9Å; S907-T911 VanDerWaalsContact O-N 3.08Å; S907-T911 PolarHBondContact O-OG1 3.28Å; V908-T911 WeakPolarHBondContact CA-OG1 3.11Å; V908-T911 PolarHBondContact O-OG1 3.05Å; L909-T911 PolarHBondContact O-N 2.98Å; T911-Q933 HydrophobicContact CG2-CG 4.2Å
912	H	84.2	Confident	81.2	Confident	25 Å²	25	65.7 Å²	65.7	12%	0.116	34%	0.338	C	S	.	.	H	α-helix	trans	-83.7	-37	169.7	177.4	49.7	0	0	0	113.4	C899 F903 V908 L909 V910 R914 T915 H916	C899-H912 PolarHBondContact SG-NE2 3.05Å; F903-H912 HydrophobicContact CE1-CB 4.36Å; F903-H912 HydrophobicContact CE2-CB 4.12Å; F903-H912 AromaticContact CE2-CD2 3.27Å; F903-H912 WeakPolarHBondContact CE2-CD2 3.39Å; F903-H912 AromaticContact CE2-CG 3.88Å; F903-H912 HydrophobicContact CZ-CB 3.81Å; F903-H912 AromaticContact CZ-CD2 3.25Å; F903-H912 WeakPolarHBondContact CZ-CD2 3.36Å; F903-H912 AromaticContact CZ-CG 3.5Å; F903-H912 VanDerWaalsContact CZ-CG 3.5Å; F903-H912 AromaticContact CZ-NE2 3.9Å; V908-H912 WeakPolarHBondContact O-CB 3.34Å; V908-H912 PolarHBondContact O-N 3.23Å; L909-H912 CarbonylContact O-C 3.52Å; L909-H912 WeakPolarHBondContact O-CA 3.32Å; L909-H912 WeakPolarHBondContact O-CB 3.36Å; L909-H912 PolarHBondContact O-N 3.07Å; V910-H912 PolarHBondContact O-N 3.18Å; H912-R914 PolarHBondContact O-N 2.88Å; H912-T915 PolarHBondContact CE1-OG1 3.37Å; H912-T915 PolarHBondContact ND1-OG1 2.83Å; H912-T915 WeakPolarHBondContact O-CA 3.29Å; H912-T915 VanDerWaalsContact O-CB 3.31Å; H912-T915 WeakPolarHBondContact O-CB 3.46Å; H912-T915 PolarHBondContact O-N 2.88Å; H912-T915 PolarHBondContact O-OG1 2.76Å; H912-H916 AromaticContact CE1-NE2 3.57Å; H912-H916 AromaticContact NE2-NE2 3.69Å
913	Q	82.1	Confident	81.4	Confident	56 Å²	56	61.8 Å²	61.8	26%	0.262	33%	0.334	S	S	.	.	H	α-helix	trans	-58.3	-36.3	175.7	-73.8	170.9	-68.7	0	0	111.5	L909 V910 T915 H916 T917	L909-Q913 HydrophobicContact CD1-CG 3.87Å; L909-Q913 HydrophobicContact CG-CG 4.37Å; L909-Q913 WeakPolarHBondContact O-CG 3.34Å; L909-Q913 PolarHBondContact O-N 3.38Å; V910-Q913 PolarHBondContact O-N 2.74Å; Q913-T915 PolarHBondContact O-N 2.75Å; Q913-H916 PolarHBondContact O-N 3.12Å; Q913-T917 PolarHBondContact O-N 3.09Å; Q913-T917 VanDerWaalsContact O-N 3.09Å
914	R	84.4	Confident	81.7	Confident	52 Å²	52	60.4 Å²	60.4	20%	0.196	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-12.8	169.5	-65.4	-178.6	-178.3	167.1	3.3	115.2	V910 H912 G918 E919 Y922 S932	V910-R914 PolarHBondContact O-N 3.32Å; H912-R914 PolarHBondContact O-N 2.88Å; R914-G918 CarbonylContact O-C 3.51Å; R914-G918 PolarHBondContact O-N 2.89Å; R914-E919 HydrophobicContact CB-CB 4.22Å; R914-E919 HydrophobicContact CG-CB 4.02Å; R914-E919 PolarHBondContact O-N 2.88Å; R914-Y922 PolarHBondContact NH1-OH 2.83Å; R914-S932 PolarHBondContact NH1-O 3.08Å
915	T	79.6	Confident	81.8	Confident	80 Å²	80	63.1 Å²	63.1	49%	0.491	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-15	172.8	71	0	0	0	0	113.4	H912 Q913	H912-T915 PolarHBondContact CE1-OG1 3.37Å; H912-T915 PolarHBondContact ND1-OG1 2.83Å; H912-T915 WeakPolarHBondContact O-CA 3.29Å; H912-T915 VanDerWaalsContact O-CB 3.31Å; H912-T915 WeakPolarHBondContact O-CB 3.46Å; H912-T915 PolarHBondContact O-N 2.88Å; H912-T915 PolarHBondContact O-OG1 2.76Å; Q913-T915 PolarHBondContact O-N 2.75Å
916	H	80	Confident	81.8	Confident	83 Å²	83	65.3 Å²	65.3	38%	0.384	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-48.1	170.7	-54.1	-51.7	0	0	0	111.1	E898 C899 H912 Q913 G918	E898-H916 IonicContact OE1-CD2 3.18Å; E898-H916 WeakPolarHBondContact OE2-CB 3.34Å; E898-H916 IonicContact OE2-CD2 2.7Å; E898-H916 IonicContact OE2-CG 3.37Å; C899-H916 VanDerWaalsContact CB-NE2 3.25Å; C899-H916 WeakPolarHBondContact CB-NE2 3.29Å; C899-H916 PolarHBondContact SG-NE2 2.81Å; H912-H916 AromaticContact CE1-NE2 3.57Å; H912-H916 AromaticContact NE2-NE2 3.69Å; Q913-H916 PolarHBondContact O-N 3.12Å; H916-G918 PolarHBondContact O-N 3.33Å
917	T	78.4	Confident	82.1	Confident	76 Å²	76	63.4 Å²	63.4	47%	0.466	37%	0.367	S	S	.	.	S	Bend	trans	-70.8	-10	176.8	68.3	0	0	0	0	113.6	Q913 E919	Q913-T917 PolarHBondContact O-N 3.09Å; Q913-T917 VanDerWaalsContact O-N 3.09Å; T917-E919 PolarHBondContact O-N 3.2Å; T917-E919 VanDerWaalsContact O-N 3.16Å; T917-E919 WeakPolarHBondContact OG1-CG 3.34Å; T917-E919 PolarHBondContact OG1-OE1 3.27Å
918	G	78.4	Confident	82.1	Confident	49 Å²	49	62.5 Å²	62.5	51%	0.505	37%	0.369	S	S	.	.			trans	69.8	4.2	-178.3	0	0	0	0	0	114.5	R914 H916 R920	R914-G918 CarbonylContact O-C 3.51Å; R914-G918 PolarHBondContact O-N 2.89Å; H916-G918 PolarHBondContact O-N 3.33Å; G918-R920 PolarHBondContact O-N 3.44Å
919	E	78.4	Confident	82.1	Confident	99 Å²	99	66.9 Å²	66.9	46%	0.463	38%	0.379	S	S	.	.			trans	-58.7	122.3	-175.4	-84.2	174.4	-141.5	0	0	113	R914 T917	R914-E919 HydrophobicContact CB-CB 4.22Å; R914-E919 HydrophobicContact CG-CB 4.02Å; R914-E919 PolarHBondContact O-N 2.88Å; T917-E919 PolarHBondContact O-N 3.2Å; T917-E919 VanDerWaalsContact O-N 3.16Å; T917-E919 WeakPolarHBondContact OG1-CG 3.34Å; T917-E919 PolarHBondContact OG1-OE1 3.27Å
920	R	81.6	Confident	82	Confident	136 Å²	136	72.5 Å²	72.5	51%	0.513	40%	0.399	S	S	.	.			trans	-125.1	78.3	175	-65.8	161.8	75.5	166.9	3.8	109	G918 Y922 R930 F931	G918-R920 PolarHBondContact O-N 3.44Å; R920-Y922 VanDerWaalsContact C-N 3.33Å; R920-Y922 PolarHBondContact O-N 3.24Å; R920-R930 HydrophobicContact CB-CB 3.55Å; R920-R930 PolarHBondContact NE-O 2.89Å; R920-R930 PolarHBondContact NH2-O 3.21Å; R920-R930 PolarHBondContact O-NE 3.4Å; R920-R930 PolarHBondContact O-NH2 2.9Å; R920-R930 VanDerWaalsContact O-NH2 3.11Å; R920-F931 CarbonylContact C-O 3.48Å; R920-F931 VanDerWaalsContact C-O 3.29Å; R920-F931 VanDerWaalsContact CA-O 3.29Å; R920-F931 WeakPolarHBondContact CA-O 3.47Å
921	P	81.6	Confident	82	Confident	58 Å²	58	71.8 Å²	71.8	38%	0.377	39%	0.392	S	S	.	.			trans	-65.2	-35.2	-175.3	-22.1	34.7	0	0	0	112.9	A923	P921-A923 PolarHBondContact O-N 3.34Å
922	Y	83.3	Confident	82	Confident	68 Å²	68	71.4 Å²	71.4	27%	0.267	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	92.8	-169.5	-51.2	-72.1	0	0	0	110.9	R914 R920 R930 F931 S932	R914-Y922 PolarHBondContact NH1-OH 2.83Å; R920-Y922 VanDerWaalsContact C-N 3.33Å; R920-Y922 PolarHBondContact O-N 3.24Å; Y922-R930 CarbonylContact O-C 3.56Å; Y922-R930 WeakPolarHBondContact O-CA 3.5Å; Y922-F931 WeakPolarHBondContact CD2-O 3.41Å; Y922-F931 PolarHBondContact N-O 3.24Å; Y922-F931 VanDerWaalsContact N-O 3.13Å; Y922-F931 PolarHBondContact O-N 3.01Å; Y922-S932 WeakPolarHBondContact CE2-O 3.37Å
923	A	83.2	Confident	82	Confident	51 Å²	51	73.2 Å²	73.2	42%	0.421	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	140.2	174.1	0	0	0	0	0	111.8	P921 R930	P921-A923 PolarHBondContact O-N 3.34Å; A923-R930 HydrophobicContact CB-CG 4.19Å
924	C	88.9	Confident	81.9	Confident	1 Å²	1	73.8 Å²	73.8	1%	0.007	41%	0.409	C	S	.	.			trans	-85.8	114.1	170.7	-173.3	0	0	0	0	110.3	N926 C927 G928 R929 F931 L937 H944	C924-N926 VanDerWaalsContact C-N 3.29Å; C924-N926 PolarHBondContact O-N 2.92Å; C924-C927 PolarHBondContact O-N 3.18Å; C924-G928 WeakPolarHBondContact O-CA 3.23Å; C924-G928 PolarHBondContact O-N 2.88Å; C924-R929 WeakPolarHBondContact CB-O 3.32Å; C924-R929 PolarHBondContact N-O 3Å; C924-F931 HydrophobicContact CB-CE2 4.42Å; C924-L937 HydrophobicContact CB-CD1 3.51Å; C924-H944 VanDerWaalsContact SG-CD2 3.6Å; C924-H944 PolarHBondContact SG-NE2 3.43Å; C924-H944 VanDerWaalsContact SG-NE2 3.39Å
925	A	81.9	Confident	81.9	Confident	97 Å²	97	73.8 Å²	73.8	80%	0.802	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-47	178.9	0	0	0	0	0	112.4	C927	A925-C927 PolarHBondContact O-N 3.1Å; A925-C927 VanDerWaalsContact O-N 3.08Å
926	N	79.6	Confident	82.1	Confident	108 Å²	108	74.2 Å²	74.2	58%	0.578	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-13.3	-175.2	-55.7	62.3	0	0	0	115.8	C924	C924-N926 VanDerWaalsContact C-N 3.29Å; C924-N926 PolarHBondContact O-N 2.92Å
927	C	86.3	Confident	82.4	Confident	53 Å²	53	71.4 Å²	71.4	36%	0.358	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160.2	12.2	-175.8	70.1	0	0	0	0	116.2	C924 A925 R929 H940 H944	C924-C927 PolarHBondContact O-N 3.18Å; A925-C927 PolarHBondContact O-N 3.1Å; A925-C927 VanDerWaalsContact O-N 3.08Å; C927-R929 PolarHBondContact O-N 2.65Å; C927-R929 VanDerWaalsContact SG-CG 3.56Å; C927-H940 PolarHBondContact SG-NE2 3.37Å; C927-H944 PolarHBondContact SG-CE1 3.01Å; C927-H944 PolarHBondContact SG-NE2 3.12Å
928	G	80.3	Confident	82.6	Confident	52 Å²	52	73.1 Å²	73.1	54%	0.536	41%	0.407	S	S	.	.			trans	67.3	-10.3	179.5	0	0	0	0	0	116.7	C924 R930	C924-G928 WeakPolarHBondContact O-CA 3.23Å; C924-G928 PolarHBondContact O-N 2.88Å; G928-R930 WeakPolarHBondContact O-CG 3.17Å; G928-R930 PolarHBondContact O-N 2.82Å
929	R	82.8	Confident	82.9	Confident	153 Å²	153	74.9 Å²	74.9	58%	0.577	41%	0.408	S	S	*	.			trans	-59.4	122.8	-178	-67	-175.7	-158.4	-169.9	6.1	110.6	C924 C927 F931	C924-R929 WeakPolarHBondContact CB-O 3.32Å; C924-R929 PolarHBondContact N-O 3Å; C927-R929 PolarHBondContact O-N 2.65Å; C927-R929 VanDerWaalsContact SG-CG 3.56Å; R929-F931 HydrophobicContact CB-CE2 3.83Å; R929-F931 HydrophobicContact CB-CZ 4.02Å; R929-F931 WeakPolarHBondContact O-CD2 3.34Å; R929-F931 VanDerWaalsContact O-CE2 3.24Å; R929-F931 WeakPolarHBondContact O-CE2 3.48Å
930	R	82.1	Confident	83.2	Confident	134 Å²	134	71 Å²	71	51%	0.506	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	146.7	-178.3	-50	-174	66.8	129	3.2	111.8	R920 Y922 A923 G928	R920-R930 HydrophobicContact CB-CB 3.55Å; R920-R930 PolarHBondContact NE-O 2.89Å; R920-R930 PolarHBondContact NH2-O 3.21Å; R920-R930 PolarHBondContact O-NE 3.4Å; R920-R930 PolarHBondContact O-NH2 2.9Å; R920-R930 VanDerWaalsContact O-NH2 3.11Å; Y922-R930 CarbonylContact O-C 3.56Å; Y922-R930 WeakPolarHBondContact O-CA 3.5Å; A923-R930 HydrophobicContact CB-CG 4.19Å; G928-R930 WeakPolarHBondContact O-CG 3.17Å; G928-R930 PolarHBondContact O-N 2.82Å
931	F	83.1	Confident	83.2	Confident	40 Å²	40	68.3 Å²	68.3	18%	0.175	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	148.5	-179.6	-59	-91.1	0	0	0	111.3	R920 Y922 C924 R929 H936 L937 H940	R920-F931 CarbonylContact C-O 3.48Å; R920-F931 VanDerWaalsContact C-O 3.29Å; R920-F931 VanDerWaalsContact CA-O 3.29Å; R920-F931 WeakPolarHBondContact CA-O 3.47Å; Y922-F931 WeakPolarHBondContact CD2-O 3.41Å; Y922-F931 PolarHBondContact N-O 3.24Å; Y922-F931 VanDerWaalsContact N-O 3.13Å; Y922-F931 PolarHBondContact O-N 3.01Å; C924-F931 HydrophobicContact CB-CE2 4.42Å; R929-F931 HydrophobicContact CB-CE2 3.83Å; R929-F931 HydrophobicContact CB-CZ 4.02Å; R929-F931 WeakPolarHBondContact O-CD2 3.34Å; R929-F931 VanDerWaalsContact O-CE2 3.24Å; R929-F931 WeakPolarHBondContact O-CE2 3.48Å; F931-H936 HydrophobicContact CB-CB 4.27Å; F931-H936 HydrophobicContact CD1-CB 3.77Å; F931-H936 HydrophobicContact CG-CB 4.27Å; F931-L937 HydrophobicContact CB-CB 4.36Å; F931-L937 HydrophobicContact CD2-CB 3.95Å; F931-L937 HydrophobicContact CD2-CD1 3.95Å; F931-L937 HydrophobicContact CE2-CD1 4.11Å; F931-L937 HydrophobicContact CG-CB 4.31Å; F931-H940 HydrophobicContact CE1-CB 4.21Å; F931-H940 HydrophobicContact CE2-CB 4.01Å; F931-H940 AromaticContact CE2-CD2 3.39Å; F931-H940 WeakPolarHBondContact CE2-CD2 3.43Å; F931-H940 AromaticContact CE2-CG 3.87Å; F931-H940 HydrophobicContact CZ-CB 3.6Å; F931-H940 AromaticContact CZ-CD2 3.41Å; F931-H940 VanDerWaalsContact CZ-CD2 3.41Å; F931-H940 WeakPolarHBondContact CZ-CD2 3.37Å; F931-H940 AromaticContact CZ-CG 3.47Å; F931-H940 VanDerWaalsContact CZ-CG 3.47Å
932	S	81.6	Confident	83.3	Confident	28 Å²	28	72.5 Å²	72.5	20%	0.196	40%	0.396	C	S	.	.	S	Bend	trans	-80.6	-17.7	176.8	51.4	0	0	0	0	113.5	R914 Y922	R914-S932 PolarHBondContact NH1-O 3.08Å; Y922-S932 WeakPolarHBondContact CE2-O 3.37Å
933	Q	83.7	Confident	83.2	Confident	63 Å²	63	73.2 Å²	73.2	29%	0.294	41%	0.408	S	S	.	.	S	Bend	trans	-130.7	142.8	177.8	-55.8	-174.8	15.2	0	0	111.1	T911 S935 H936 L937	T911-Q933 HydrophobicContact CG2-CG 4.2Å; Q933-S935 VanDerWaalsContact C-N 3.33Å; Q933-S935 WeakPolarHBondContact CB-OG 3.45Å; Q933-S935 PolarHBondContact OE1-OG 2.7Å; Q933-H936 PolarHBondContact O-N 3.12Å; Q933-L937 PolarHBondContact O-N 3.27Å
934	S	81.8	Confident	82.9	Confident	68 Å²	68	73 Å²	73	48%	0.476	40%	0.398	S	S	.	.	H	α-helix	trans	-69.7	-29	178.5	51.5	0	0	0	0	113	H936 L937 L938	S934-H936 VanDerWaalsContact C-N 3.35Å; S934-H936 PolarHBondContact O-N 2.95Å; S934-L937 PolarHBondContact O-N 3.18Å; S934-L938 WeakPolarHBondContact O-CB 3.16Å; S934-L938 PolarHBondContact O-N 3.43Å
935	S	83.1	Confident	82	Confident	53 Å²	53	83.9 Å²	83.9	37%	0.371	44%	0.439	S	S	.	.	H	α-helix	trans	-53.3	-50	169.9	48	0	0	0	0	111.8	Q933 L938 T939	Q933-S935 VanDerWaalsContact C-N 3.33Å; Q933-S935 WeakPolarHBondContact CB-OG 3.45Å; Q933-S935 PolarHBondContact OE1-OG 2.7Å; S935-L938 PolarHBondContact O-N 3.05Å; S935-T939 PolarHBondContact O-N 3.47Å; S935-T939 PolarHBondContact O-OG1 3.29Å
936	H	85.1	Confident	80.7	Confident	88 Å²	88	82.3 Å²	82.3	41%	0.407	43%	0.432	S	S	.	.	H	α-helix	trans	-67.9	-37.4	-179.5	-61.3	162.1	0	0	0	112.2	F931 Q933 S934 T939 H940	F931-H936 HydrophobicContact CB-CB 4.27Å; F931-H936 HydrophobicContact CD1-CB 3.77Å; F931-H936 HydrophobicContact CG-CB 4.27Å; Q933-H936 PolarHBondContact O-N 3.12Å; S934-H936 VanDerWaalsContact C-N 3.35Å; S934-H936 PolarHBondContact O-N 2.95Å; H936-T939 WeakPolarHBondContact CA-OG1 3.12Å; H936-T939 PolarHBondContact O-OG1 3.14Å; H936-H940 VanDerWaalsContact O-CB 3.29Å; H936-H940 WeakPolarHBondContact O-CB 3.4Å; H936-H940 PolarHBondContact O-N 2.98Å
937	L	85.3	Confident	79.3	Confident	25 Å²	25	80.6 Å²	80.6	13%	0.131	43%	0.433	C	S	.	.	H	α-helix	trans	-61.3	-47.2	169.8	173.9	60.1	0	0	0	110.9	C924 F931 Q933 S934 T939 H940 M941	C924-L937 HydrophobicContact CB-CD1 3.51Å; F931-L937 HydrophobicContact CB-CB 4.36Å; F931-L937 HydrophobicContact CD2-CB 3.95Å; F931-L937 HydrophobicContact CD2-CD1 3.95Å; F931-L937 HydrophobicContact CE2-CD1 4.11Å; F931-L937 HydrophobicContact CG-CB 4.31Å; Q933-L937 PolarHBondContact O-N 3.27Å; S934-L937 PolarHBondContact O-N 3.18Å; L937-T939 PolarHBondContact O-N 3.05Å; L937-H940 CarbonylContact O-C 3.38Å; L937-H940 WeakPolarHBondContact O-CA 3.07Å; L937-H940 WeakPolarHBondContact O-CB 3.24Å; L937-H940 PolarHBondContact O-N 3.15Å; L937-M941 HydrophobicContact CD1-CG 3.88Å; L937-M941 HydrophobicContact CD1-SD 4.22Å; L937-M941 HydrophobicContact CG-CG 4.28Å; L937-M941 HydrophobicContact CG-SD 4.24Å; L937-M941 WeakPolarHBondContact O-CG 3.47Å; L937-M941 PolarHBondContact O-N 2.86Å
938	L	83.3	Confident	77.4	Confident	112 Å²	112	82.7 Å²	82.7	59%	0.586	45%	0.454	S	S	*	.	H	α-helix	trans	-65.2	-39.1	-177.6	-173.1	63.6	0	0	0	112.4	S934 S935 H940 M941 K942	S934-L938 WeakPolarHBondContact O-CB 3.16Å; S934-L938 PolarHBondContact O-N 3.43Å; S935-L938 PolarHBondContact O-N 3.05Å; L938-H940 VanDerWaalsContact C-N 3.3Å; L938-H940 PolarHBondContact O-N 3.32Å; L938-M941 PolarHBondContact O-N 3.03Å; L938-K942 PolarHBondContact O-N 3.12Å
939	T	83.9	Confident	75.6	Confident	85 Å²	85	84.7 Å²	84.7	52%	0.521	47%	0.465	S	S	.	.	H	α-helix	trans	-64.7	-34.7	170.3	48.1	0	0	0	0	112.2	S935 H936 L937 K942	S935-T939 PolarHBondContact O-N 3.47Å; S935-T939 PolarHBondContact O-OG1 3.29Å; H936-T939 WeakPolarHBondContact CA-OG1 3.12Å; H936-T939 PolarHBondContact O-OG1 3.14Å; L937-T939 PolarHBondContact O-N 3.05Å; T939-K942 PolarHBondContact O-N 3.11Å
940	H	85.6	Confident	73.2	Confident	17 Å²	17	81.4 Å²	81.4	8%	0.079	47%	0.471	C	S	.	.	H	α-helix	trans	-72.7	-36.5	176.3	177	49.7	0	0	0	113	C927 F931 H936 L937 L938 K942 T943 H944	C927-H940 PolarHBondContact SG-NE2 3.37Å; F931-H940 HydrophobicContact CE1-CB 4.21Å; F931-H940 HydrophobicContact CE2-CB 4.01Å; F931-H940 AromaticContact CE2-CD2 3.39Å; F931-H940 WeakPolarHBondContact CE2-CD2 3.43Å; F931-H940 AromaticContact CE2-CG 3.87Å; F931-H940 HydrophobicContact CZ-CB 3.6Å; F931-H940 AromaticContact CZ-CD2 3.41Å; F931-H940 VanDerWaalsContact CZ-CD2 3.41Å; F931-H940 WeakPolarHBondContact CZ-CD2 3.37Å; F931-H940 AromaticContact CZ-CG 3.47Å; F931-H940 VanDerWaalsContact CZ-CG 3.47Å; H936-H940 VanDerWaalsContact O-CB 3.29Å; H936-H940 WeakPolarHBondContact O-CB 3.4Å; H936-H940 PolarHBondContact O-N 2.98Å; L937-H940 CarbonylContact O-C 3.38Å; L937-H940 WeakPolarHBondContact O-CA 3.07Å; L937-H940 WeakPolarHBondContact O-CB 3.24Å; L937-H940 PolarHBondContact O-N 3.15Å; L938-H940 VanDerWaalsContact C-N 3.3Å; L938-H940 PolarHBondContact O-N 3.32Å; H940-K942 PolarHBondContact O-N 2.96Å; H940-T943 PolarHBondContact ND1-OG1 3.07Å; H940-T943 VanDerWaalsContact ND1-OG1 3.08Å; H940-T943 WeakPolarHBondContact O-CA 3.41Å; H940-T943 WeakPolarHBondContact O-CB 3.34Å; H940-T943 PolarHBondContact O-N 2.74Å; H940-T943 PolarHBondContact O-OG1 2.87Å; H940-H944 AromaticContact CD2-NE2 3.82Å; H940-H944 AromaticContact CE1-CE1 3.89Å; H940-H944 AromaticContact CE1-NE2 3.26Å; H940-H944 PolarHBondContact CE1-NE2 3.17Å; H940-H944 VanDerWaalsContact CE1-NE2 3.26Å; H940-H944 AromaticContact NE2-CD2 3.87Å; H940-H944 AromaticContact NE2-CE1 3.88Å; H940-H944 AromaticContact NE2-NE2 3Å; H940-H944 PolarHBondContact NE2-NE2 3.03Å
941	M	81.1	Confident	71.3	Confident	80 Å²	80	81.4 Å²	81.4	39%	0.394	49%	0.488	S	S	.	.	H	α-helix	trans	-62.8	-30.2	175.5	-70	-170.2	78.2	0	0	112.1	L937 L938 T943 H944 R945	L937-M941 HydrophobicContact CD1-CG 3.88Å; L937-M941 HydrophobicContact CD1-SD 4.22Å; L937-M941 HydrophobicContact CG-CG 4.28Å; L937-M941 HydrophobicContact CG-SD 4.24Å; L937-M941 WeakPolarHBondContact O-CG 3.47Å; L937-M941 PolarHBondContact O-N 2.86Å; L938-M941 PolarHBondContact O-N 3.03Å; M941-T943 VanDerWaalsContact C-N 3.26Å; M941-T943 PolarHBondContact O-N 2.71Å; M941-H944 PolarHBondContact O-N 3.09Å; M941-R945 PolarHBondContact O-N 3.36Å
942	K	84.1	Confident	69.1	Low	146 Å²	146	85.4 Å²	85.4	64%	0.635	52%	0.522	S	S	*	.	H	α-helix	trans	-62.1	-30	169.3	-65.1	178.3	-179.6	-171.8	0	113.2	L938 T939 H940 R945 G946	L938-K942 PolarHBondContact O-N 3.12Å; T939-K942 PolarHBondContact O-N 3.11Å; H940-K942 PolarHBondContact O-N 2.96Å; K942-R945 PolarHBondContact O-N 3.4Å; K942-G946 PolarHBondContact O-N 3.38Å; K942-G946 VanDerWaalsContact O-N 3.15Å
943	T	81.4	Confident	66.9	Low	83 Å²	83	89.9 Å²	89.9	51%	0.509	55%	0.553	S	S	.	*	H	α-helix	trans	-70.6	-31.2	177.3	67.2	0	0	0	0	112.9	H940 M941 G946 A947	H940-T943 PolarHBondContact ND1-OG1 3.07Å; H940-T943 VanDerWaalsContact ND1-OG1 3.08Å; H940-T943 WeakPolarHBondContact O-CA 3.41Å; H940-T943 WeakPolarHBondContact O-CB 3.34Å; H940-T943 PolarHBondContact O-N 2.74Å; H940-T943 PolarHBondContact O-OG1 2.87Å; M941-T943 VanDerWaalsContact C-N 3.26Å; M941-T943 PolarHBondContact O-N 2.71Å; T943-G946 PolarHBondContact O-N 3.48Å; T943-A947 PolarHBondContact O-N 3.02Å
944	H	76.9	Confident	64.4	Low	48 Å²	48	90.9 Å²	90.9	22%	0.222	58%	0.58	C	S	.	*	H	α-helix	trans	-68.5	-41.8	171.6	-66	-65.1	0	0	0	111.6	C924 C927 H940 M941 G946 A947	C924-H944 VanDerWaalsContact SG-CD2 3.6Å; C924-H944 PolarHBondContact SG-NE2 3.43Å; C924-H944 VanDerWaalsContact SG-NE2 3.39Å; C927-H944 PolarHBondContact SG-CE1 3.01Å; C927-H944 PolarHBondContact SG-NE2 3.12Å; H940-H944 AromaticContact CD2-NE2 3.82Å; H940-H944 AromaticContact CE1-CE1 3.89Å; H940-H944 AromaticContact CE1-NE2 3.26Å; H940-H944 PolarHBondContact CE1-NE2 3.17Å; H940-H944 VanDerWaalsContact CE1-NE2 3.26Å; H940-H944 AromaticContact NE2-CD2 3.87Å; H940-H944 AromaticContact NE2-CE1 3.88Å; H940-H944 AromaticContact NE2-NE2 3Å; H940-H944 PolarHBondContact NE2-NE2 3.03Å; M941-H944 PolarHBondContact O-N 3.09Å; H944-G946 PolarHBondContact O-N 3.33Å; H944-A947 PolarHBondContact O-N 2.79Å; H944-A947 VanDerWaalsContact O-N 3.1Å
945	R	69	Low	62.1	Low	228 Å²	228	93.3 Å²	93.3	86%	0.86	60%	0.597	S	S	*	*	H	α-helix	trans	-64	-22.6	175.9	-168.1	169.7	178.9	165.8	-1	113.2	M941 K942	M941-R945 PolarHBondContact O-N 3.36Å; K942-R945 PolarHBondContact O-N 3.4Å
946	G	55.6	Low	59.5	Low	64 Å²	64	95.1 Å²	95.1	66%	0.66	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-8.8	174	0	0	0	0	0	115.6	K942 T943 H944	K942-G946 PolarHBondContact O-N 3.38Å; K942-G946 VanDerWaalsContact O-N 3.15Å; T943-G946 PolarHBondContact O-N 3.48Å; H944-G946 PolarHBondContact O-N 3.33Å
947	A	50.3	Low	57.5	Low	73 Å²	73	96.9 Å²	96.9	60%	0.603	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-10.1	-174.8	0	0	0	0	0	114.3	T943 H944 A949	T943-A947 PolarHBondContact O-N 3.02Å; H944-A947 PolarHBondContact O-N 2.79Å; H944-A947 VanDerWaalsContact O-N 3.1Å; A947-A949 PolarHBondContact O-N 3.5Å
948	A	45.4	Very low	55.1	Low	96 Å²	96	100.2 Å²	100.2	79%	0.793	67%	0.666	S	S	*	*	S	Bend	trans	-79.7	22.9	-173.1	0	0	0	0	0	114.9
949	A	42	Very low	52.7	Low	94 Å²	94	101 Å²	101	78%	0.777	68%	0.677	S	S	*	*	S	Bend	trans	-133.2	40.3	-168.1	0	0	0	0	0	114	A947	A947-A949 PolarHBondContact O-N 3.5Å
950	A	33.8	Very low	50.2	Low	84 Å²	84	101.5 Å²	101.5	69%	0.694	69%	0.69	S	S	*	*	S	Bend	trans	-150.6	133.4	164.2	0	0	0	0	0	110.2
951	P	41.8	Very low	48.5	Very low	134 Å²	134	106 Å²	106	87%	0.87	72%	0.72	S	S	*	*			trans	-77	153.7	-178.7	31.2	-34.9	0	0	0	112.9
952	S	36.2	Very low	46	Very low	125 Å²	125	111.4 Å²	111.4	87%	0.874	74%	0.742	S	S	*	*			trans	-81.9	145.7	-173.9	54.7	0	0	0	0	114.7
953	S	35.3	Very low	44.1	Very low	122 Å²	122	109.2 Å²	109.2	85%	0.853	74%	0.743	S	S	*	*			trans	-147.3	143	161.2	63.6	0	0	0	0	111.9
954	G	32.3	Very low	41.6	Very low	83 Å²	83	113.9 Å²	113.9	86%	0.856	76%	0.759	S	S	*	*			trans	99.6	118.7	166.1	0	0	0	0	0	116.7
955	S	32.1	Very low	39.2	Very low	120 Å²	120	115.7 Å²	115.7	84%	0.839	78%	0.782	S	S	*	*			trans	-76.3	147.1	178	-48.8	0	0	0	0	114
956	A	29.7	Very low	37.2	Very low	91 Å²	91	109.7 Å²	109.7	75%	0.752	78%	0.781	S	S	*	*				41.4	163.4	129.6	0	0	0	0	0	122.6
957	P	41.8	Very low	36	Very low	125 Å²	125	111 Å²	111	81%	0.812	79%	0.786	S	S	*	*			cis	-122.6	-171.7	-23.5	35.8	-18.3	0	0	0	112.1
958	A	35.4	Very low	35	Very low	95 Å²	95	117.7 Å²	117.7	79%	0.785	80%	0.801	S	S	*	*			trans	-87.4	156.1	174.9	0	0	0	0	0	113.7
959	P	32.5	Very low	34.1	Very low	129 Å²	129	116.4 Å²	116.4	84%	0.838	80%	0.797	S	S	*	*			trans	-119.9	165.6	143.5	36.9	-29.3	0	0	0	112.5
960	A	31.4	Very low	34.2	Very low	95 Å²	95	118 Å²	118	79%	0.785	80%	0.799	S	S	*	*			trans	-109.7	-158.5	-176.1	0	0	0	0	0	111.9
961	P	49.7	Very low	34	Very low	110 Å²	110	118.7 Å²	118.7	71%	0.714	80%	0.8	S	S	*	*				-129	-177	-110.5	39.2	-20.6	0	0	0	116.2
962	K	28.5	Very low	33.4	Very low	194 Å²	194	117.1 Å²	117.1	84%	0.843	79%	0.792	S	S	*	*			trans	76.2	160.6	164.9	-69.9	179.2	178.4	-179.9	0	117.1
963	P	45.9	Very low	32.9	Very low	101 Å²	101	117.7 Å²	117.7	66%	0.656	79%	0.79	S	S	*	*			cis	-139	-173.7	-21.7	32.9	-11.4	0	0	0	116.1
964	E	27.8	Very low	32.4	Very low	181 Å²	181	115 Å²	115	85%	0.846	78%	0.782	S	S	*	*			trans	95.5	137.7	136.5	-96.4	176.3	134.8	0	0	126.2
965	A	27.1	Very low	33	Very low	86 Å²	86	117.9 Å²	117.9	71%	0.711	79%	0.785	S	S	*	*			trans	62.9	82.7	137.8	0	0	0	0	0	124.3
966	A	26.7	Very low	32.7	Very low	101 Å²	101	115.5 Å²	115.5	84%	0.835	78%	0.78	S	S	*	*				21.8	130.1	121.6	0	0	0	0	0	124.2
967	A	30.7	Very low	32.7	Very low	93 Å²	93	119.3 Å²	119.3	77%	0.769	78%	0.782	S	S	*	*				114.7	146.7	121	0	0	0	0	0	122.6
968	K	29.1	Very low	32.3	Very low	212 Å²	212	123.9 Å²	123.9	92%	0.922	78%	0.783	S	S	*	*			trans	85	138.4	162.3	-64.3	177.4	178.7	175.1	0	120.4
969	G	26.8	Very low	32	Very low	69 Å²	69	123.3 Å²	123.3	71%	0.711	79%	0.786	S	S	*	*			trans	-93.3	-151.6	165.3	0	0	0	0	0	112
970	P	43.4	Very low	32	Very low	127 Å²	127	123.1 Å²	123.1	83%	0.825	79%	0.788	S	S	*	*				-156.9	-169.8	57	41.7	-19.4	0	0	0	118.2
971	S	29.6	Very low	32	Very low	100 Å²	100	123.7 Å²	123.7	70%	0.699	79%	0.792	S	S	*	*			trans	66.3	122	147.1	-103.2	0	0	0	0	121.7
972	S	28.5	Very low	31	Very low	101 Å²	101	126.5 Å²	126.5	71%	0.706	80%	0.801	S	S	*	*				85.4	143.9	75.6	77.3	0	0	0	0	114
973	V	27.7	Very low	31.1	Very low	137 Å²	137	124.5 Å²	124.5	83%	0.83	80%	0.799	S	S	*	*			cis	-149.7	165.1	30.6	-176.4	0	0	0	0	110.7
974	G	24.6	Very low	30.4	Very low	66 Å²	66	127.7 Å²	127.7	68%	0.68	81%	0.805	S	S	*	*			trans	-89.8	-146.5	169.7	0	0	0	0	0	114.2
975	P	43.9	Very low	30.3	Very low	142 Å²	142	129.5 Å²	129.5	92%	0.922	81%	0.81	S	S	*	*			cis	-134.4	-176.7	-0.6	43.7	-27.5	0	0	0	115.2
976	G	26.2	Very low	30.5	Very low	71 Å²	71	129.9 Å²	129.9	73%	0.732	81%	0.814	S	S	*	*			trans	152.1	110.6	154.8	0	0	0	0	0	120.1
977	E	29.3	Very low	30.5	Very low	171 Å²	171	129.2 Å²	129.2	80%	0.799	82%	0.816	S	S	*	*			trans	67.4	157	156.7	-53.9	-150	133.9	0	0	123.5
978	R	34.8	Very low	30.4	Very low	221 Å²	221	128.3 Å²	128.3	83%	0.834	82%	0.816	S	S	*	*			trans	73.4	69	163	-53.3	-166.9	-177.6	-126	-9.5	119.7
979	G	28.7	Very low	30.3	Very low	83 Å²	83	124.6 Å²	124.6	86%	0.856	81%	0.811	S	S	*	*				51.3	99	127.2	0	0	0	0	0	120.1
980	S	32.9	Very low	30.7	Very low	124 Å²	124	126.6 Å²	126.6	87%	0.867	81%	0.814	S	S	*	*			trans	-124	136.9	157.9	-70.6	0	0	0	0	109.9
981	A	31.1	Very low	29.9	Very low	107 Å²	107	130.2 Å²	130.2	88%	0.884	82%	0.817	S	S	*	*			trans	-78.2	154.1	173.9	0	0	0	0	0	111.5
982	L	27.6	Very low	29.9	Very low	169 Å²	169	128.5 Å²	128.5	89%	0.885	82%	0.815	S	S	*	*			trans	-105.4	116.2	176.7	179.3	154.1	0	0	0	108.7
983	L	31	Very low	30.3	Very low	153 Å²	153	128.9 Å²	128.9	80%	0.801	82%	0.818	S	S	*	*			trans	-162	157.6	164.4	-111.3	167.4	0	0	0	111.5
984	E	30.8	Very low	30.4	Very low	168 Å²	168	131.3 Å²	131.3	79%	0.785	82%	0.82	S	S	*	*			trans	-64.3	149	-160.1	-60.8	156.1	132.4	0	0	116.3	A986	E984-A986 PolarHBondContact O-N 3.41Å; E984-A986 VanDerWaalsContact O-N 3.16Å
985	F	26.9	Very low	30.9	Very low	218 Å²	218	136.4 Å²	136.4	96%	0.956	83%	0.826	S	S	*	*			trans	-83.6	82.2	166.5	-127	-82.2	0	0	0	110.3
986	A	30.9	Very low	30.3	Very low	95 Å²	95	138.1 Å²	138.1	79%	0.785	82%	0.822	S	S	*	*			trans	-71.3	133.9	170.8	0	0	0	0	0	110.8	E984	E984-A986 PolarHBondContact O-N 3.41Å; E984-A986 VanDerWaalsContact O-N 3.16Å
987	G	25.7	Very low	30.3	Very low	87 Å²	87	139.6 Å²	139.6	90%	0.897	83%	0.827	S	S	*	*			trans	-124.6	77.1	-179.2	0	0	0	0	0	112.3
988	G	28.3	Very low	30.2	Very low	73 Å²	73	135.5 Å²	135.5	75%	0.753	82%	0.822	S	S	*	*			trans	-167.7	108.4	179.2	0	0	0	0	0	115.7
989	T	27.9	Very low	29.8	Very low	135 Å²	135	135.2 Å²	135.2	83%	0.828	83%	0.827	S	S	*	*			trans	-149.4	132.4	156.5	42	0	0	0	0	105.6
990	S	35.4	Very low	29.8	Very low	110 Å²	110	135.5 Å²	135.5	77%	0.769	82%	0.822	S	S	*	*				65.8	106.7	56.7	-168.1	0	0	0	0	112.7
991	F	26.4	Very low	29.5	Very low	204 Å²	204	133.1 Å²	133.1	90%	0.895	82%	0.817	S	S	*	*			trans	-160.2	130.1	156.5	-128	-84	0	0	0	112.4
992	G	29.6	Very low	30.5	Very low	64 Å²	64	133.9 Å²	133.9	66%	0.66	81%	0.813	S	S	*	*			trans	-132	171.6	144.2	0	0	0	0	0	106.2
993	S	37.8	Very low	30.6	Very low	109 Å²	109	131.8 Å²	131.8	76%	0.762	81%	0.812	S	S	*	*			cis	-124.2	-150.8	10	44.5	0	0	0	0	110
994	E	29.7	Very low	30.4	Very low	187 Å²	187	128 Å²	128	87%	0.874	81%	0.81	S	S	*	*				-157.3	-162.5	52.8	-78	-173.9	113.2	0	0	112
995	H	34.4	Very low	30.3	Very low	173 Å²	173	124.8 Å²	124.8	80%	0.801	81%	0.812	S	S	*	*			trans	-131.4	154.8	-161.1	-110.9	-78.3	0	0	0	115.3
996	Q	30.6	Very low	30.3	Very low	179 Å²	179	125.5 Å²	125.5	84%	0.836	81%	0.81	S	S	*	*			trans	81	153.6	148	-73.9	-179.2	18.8	0	0	123.2
997	A	26.3	Very low	30.2	Very low	101 Å²	101	129.9 Å²	129.9	84%	0.835	81%	0.806	S	S	*	*			trans	84.1	139	167.1	0	0	0	0	0	119.4
998	A	27.9	Very low	30.5	Very low	85 Å²	85	133.1 Å²	133.1	70%	0.702	80%	0.798	S	S	*	*			cis	-169.6	150.9	-22.8	0	0	0	0	0	110.6
999	F	25.5	Very low	30.6	Very low	215 Å²	215	132.9 Å²	132.9	94%	0.943	80%	0.796	S	S	*	*			trans	63.7	154.9	169.6	-87.5	-108.2	0	0	0	116.2
1000	A	28.4	Very low	30.8	Very low	90 Å²	90	133 Å²	133	74%	0.744	80%	0.796	S	S	*	*			cis	-155.6	167.7	-4.1	0	0	0	0	0	111.7
1001	G	28.3	Very low	31	Very low	74 Å²	74	139.5 Å²	139.5	76%	0.763	82%	0.821	S	S	*	*			trans	91.8	131.2	143.3	0	0	0	0	0	119.4
1002	P	51.6	Low	31.2	Very low	123 Å²	123	136.3 Å²	136.3	80%	0.799	82%	0.817	S	S	*	*			trans	-109.1	-173.3	174.3	41.2	-34.4	0	0	0	114.5
1003	S	28.3	Very low	31.3	Very low	124 Å²	124	140.1 Å²	140.1	87%	0.867	83%	0.825	S	S	*	*			trans	89.3	152.7	168.2	80.6	0	0	0	0	119
1004	G	27.9	Very low	31	Very low	73 Å²	73	141.8 Å²	141.8	75%	0.753	83%	0.829	S	S	*	*			trans	78.9	91	179.8	0	0	0	0	0	114.2
1005	A	27.9	Very low	31.1	Very low	101 Å²	101	139.1 Å²	139.1	84%	0.835	83%	0.826	S	S	*	*			cis	65.2	93.5	48.6	0	0	0	0	0	115
1006	Y	27.7	Very low	30.8	Very low	233 Å²	233	137 Å²	137	91%	0.914	83%	0.828	S	S	*	*				-163.4	169.6	127.8	67.2	-96	0	0	0	114
1007	R	29.1	Very low	30.9	Very low	187 Å²	187	134.2 Å²	134.2	71%	0.706	83%	0.827	S	S	*	*			trans	-53.1	163.9	-175.1	-77	161.6	164.3	-104.3	4.2	118.9
1008	E	31.9	Very low	31.2	Very low	156 Å²	156	136.6 Å²	136.6	73%	0.729	83%	0.827	S	S	*	*			trans	38.4	142.1	133.8	-56.4	157	141.7	0	0	120.3
1009	G	30.1	Very low	31.4	Very low	68 Å²	68	140.5 Å²	140.5	70%	0.701	84%	0.836	S	S	*	*			cis	160.8	-174.8	1.2	0	0	0	0	0	112.1
1010	V	32.8	Very low	31.9	Very low	138 Å²	138	134.3 Å²	134.3	84%	0.836	83%	0.827	S	S	*	*			trans	42.9	100.2	157.2	-164.4	0	0	0	0	118.4
1011	L	39.1	Very low	32.3	Very low	245 Å²	245	138.4 Å²	138.4	100%	1.283	84%	0.835	S	S	*	*				-174.8	0	113.6	-94.5	179.8	0	0	0	111.5

Retrieved 1,011 of 1,011 residues in 298.9 ms (Link to these results)

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