A0A087X2I7_HUMAN Loading...

MHC class II transactivator

AlphaFold DB , UniProt , Accession A0A087X2I7, Species HUMAN (Homo sapiens, Human), Gene CIITA, Length 1,131 aa.

						>A0A087X2I7_HUMAN|A0A087X2I7|CIITA
MRCLAPRPAGSYLSEPQGSSQCATMELGPLEGGYLELLNSDADPLCLYHFYDQMDLAGEEEIELYSEPDTDTINCDQFSRLLCDMEGDEETREAYANIAELDQYVFQDSQLEGLSKDIFIEHIGPDEVIGESMEMPAEVGQKSQKRPFPEELPADLKHWKPAEPPTVVTGSLLVGPVSDCSTLPCLPLPALFNQEPASGQMRLEKTDQIPMPFSSSSLSCLNLPEGPIQFVPTISTLPHGLWQISEAGTGVSSIFIYHGEVPQASQVPPPSGFTVHGLPTSPDRPGSTSPFAPSATDLPSMPEPALTSRANMTEHKTSPTQCPAAGEVSNKLPKWPEPVEQFYRSLQDTYGAEPAGPDGILVEVDLVQARLERSSSKSLERELATPDWAERQLAQGGLAEVLLAAKEHRRPRETRVIAVLGKAGQGKSYWAGAVSRAWACGRLPQYDFVFSVPCHCLNRPGDAYGLQDLLFSLGPQPLVAADEVFSHILKRPDRVLLILDGFEELEAQDGFLHSTCGPAPAEPCSLRGLLAGLFQKKLLRGCTLLLTARPRGRLVQSLSKADALFELSGFSMEQAQAYVMRYFESSGMTEHQDRALTLLRDRPLLLSHSHSPTLCRAVCQLSEALLELGEDAKLPSTLTGLYVGLLGRAALDSPPGALAELAKLAWELGRRHQSTLQEDQFPSADVRTWAMAKGLVQHPPRAAESELAFPSFLLQCFLGALWLALSGEIKDKELPQYLALTPRKKRPYDNWLEGVPRFLAGLIFQPPARCLGALLGPSAAASVDRKQKVLARYLKRLQPGTLRARQLLELLHCAHEAEEAGIWQHVVQELPGRLSFLGTRLTPPDAHVLGKALEAAGQDFSLDLRSTGICPSGLGSLVGLSCVTRFRAALSDTVALWESLQQHGETKLLQAAEEKFTIEPFKAKSLKDVEDLGKLVQTQRTRSSSEDTAGELPAVRDLKKLEFALGPVSGPQAFPKLVRILTAFSSLQHLDLDALSENKIGDEGVSQLSATFPQLKSLETLNLSQNNITDLGAYKLAEALPSLAASLLRLSLYNNCICDVGAESLARVLPDMVSLRVMDVQYNKFTAAGAQQLAASLRRCPHVETLAMWTPTIPFSVQEHLQQQDSRISLR
					

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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	27.7	Very low	31.1	Very low	237 Å²	237	143.8 Å²	143.8	100%	1.167	83%	0.828	S	S	*	*				0	133.4	0	-64	-177.6	179.6	0	0	106.8
2	R	26.6	Very low	30.8	Very low	237 Å²	237	149 Å²	149	89%	0.894	83%	0.826	S	S	*	*				42.2	127.4	86	-75	-167.3	-179.4	-176.3	2	112.9
3	C	24.7	Very low	30.7	Very low	104 Å²	104	149.1 Å²	149.1	70%	0.703	82%	0.823	S	S	*	*			cis	-168.7	168.6	-7.3	-126.4	0	0	0	0	111
4	L	28.1	Very low	30.6	Very low	167 Å²	167	145.2 Å²	145.2	87%	0.874	81%	0.812	S	S	*	*			trans	65	127.1	152.2	-66.7	162.3	0	0	0	120.4
5	A	27	Very low	30.5	Very low	90 Å²	90	145.9 Å²	145.9	74%	0.744	81%	0.806	S	S	*	*			trans	-70.9	173.4	156.6	0	0	0	0	0	110.4
6	P	46.4	Very low	31.3	Very low	123 Å²	123	144.7 Å²	144.7	80%	0.799	81%	0.807	S	S	*	*			cis	-146.7	177.5	30.2	42.4	-20.7	0	0	0	120.5
7	R	28.6	Very low	31.1	Very low	232 Å²	232	145.4 Å²	145.4	88%	0.875	80%	0.803	S	S	*	*			trans	-28.9	156.2	157.4	-77.1	178.3	177	-176.9	-1.6	116.6
8	P	45.3	Very low	30.9	Very low	119 Å²	119	141.5 Å²	141.5	77%	0.773	80%	0.801	S	S	*	*				-129.6	151.3	52.1	22.3	1	0	0	0	115.7
9	A	30.4	Very low	30.7	Very low	95 Å²	95	139.5 Å²	139.5	79%	0.785	80%	0.797	S	S	*	*				74.6	140.9	67.6	0	0	0	0	0	115.2
10	G	28.8	Very low	30.6	Very low	74 Å²	74	137.6 Å²	137.6	76%	0.763	79%	0.792	S	S	*	*			cis	-98.3	-134.2	-9.3	0	0	0	0	0	112.4
11	S	28.1	Very low	30.6	Very low	104 Å²	104	139.5 Å²	139.5	73%	0.727	79%	0.794	S	S	*	*			cis	179.5	152.8	-17	41.9	0	0	0	0	107.2
12	Y	27.9	Very low	30.5	Very low	206 Å²	206	133.5 Å²	133.5	81%	0.808	77%	0.774	S	S	*	*			cis	-136.9	155.6	17.7	-82.5	-97.4	0	0	0	112.3
13	L	29	Very low	30.6	Very low	150 Å²	150	126.1 Å²	126.1	79%	0.785	76%	0.764	S	S	*	*			trans	30.7	143.6	143.6	-57.2	172.4	0	0	0	122.8
14	S	29.5	Very low	30.7	Very low	95 Å²	95	127.4 Å²	127.4	66%	0.664	77%	0.769	S	S	*	*			cis	-177.1	115.4	-23.1	46.2	0	0	0	0	112.9
15	E	29.9	Very low	30.6	Very low	155 Å²	155	126.7 Å²	126.7	72%	0.724	76%	0.763	S	S	*	*			trans	59.3	170.2	140.6	-108.3	176	-144.8	0	0	120.1	Q17	E15-Q17 HydrophobicContact CG-CG 4.3Å; E15-Q17 PolarHBondContact OE1-NE2 3.45Å
16	P	42.5	Very low	30.6	Very low	127 Å²	127	129.3 Å²	129.3	83%	0.825	76%	0.76	S	S	*	*			cis	-120.3	174.9	36.5	40.9	-27.3	0	0	0	117.3
17	Q	27.9	Very low	29.5	Very low	157 Å²	157	131.1 Å²	131.1	73%	0.734	76%	0.762	S	S	*	*			trans	-106.2	164.4	174	-58.6	-178.8	12	0	0	112.2	E15	E15-Q17 HydrophobicContact CG-CG 4.3Å; E15-Q17 PolarHBondContact OE1-NE2 3.45Å
18	G	27.1	Very low	29.3	Very low	75 Å²	75	123.5 Å²	123.5	77%	0.773	76%	0.756	S	S	*	*			trans	-129.5	155.1	162.1	0	0	0	0	0	111.3
19	S	27.6	Very low	29.7	Very low	103 Å²	103	124 Å²	124	72%	0.72	76%	0.759	S	S	*	*			trans	-160	136.7	-175	54.1	0	0	0	0	115.3
20	S	29.9	Very low	29.7	Very low	101 Å²	101	127.5 Å²	127.5	71%	0.706	76%	0.763	S	S	*	*			trans	64	153	138.2	70.1	0	0	0	0	120.6
21	Q	29.5	Very low	29.8	Very low	178 Å²	178	133 Å²	133	83%	0.832	77%	0.769	S	S	*	*			cis	-169.4	179.7	-10.6	-114.6	178.3	5.9	0	0	110.4
22	C	26.3	Very low	29.9	Very low	111 Å²	111	131.5 Å²	131.5	75%	0.75	77%	0.771	S	S	*	*			trans	78.2	94.3	153.9	-70.1	0	0	0	0	122.7
23	A	27.3	Very low	30.1	Very low	83 Å²	83	124.7 Å²	124.7	69%	0.686	76%	0.763	S	S	*	*				55.8	132.9	103.1	0	0	0	0	0	124.4
24	T	26.8	Very low	30.2	Very low	130 Å²	130	127.3 Å²	127.3	80%	0.798	76%	0.764	S	S	*	*			trans	67.4	145.9	143.3	49.7	0	0	0	0	121.1
25	M	26.5	Very low	30.5	Very low	152 Å²	152	129.3 Å²	129.3	75%	0.749	77%	0.767	S	S	*	*			cis	-170.1	169.6	-22.4	-156.6	168.7	93.7	0	0	110.2
26	E	26.3	Very low	30.9	Very low	145 Å²	145	130.5 Å²	130.5	68%	0.678	77%	0.772	S	S	*	*			trans	88.9	123.4	156.8	-63.9	-160.2	155.6	0	0	123.4
27	L	25.1	Very low	30.8	Very low	161 Å²	161	130.8 Å²	130.8	84%	0.843	77%	0.766	S	S	*	*			trans	61.3	132.9	130.5	-61.5	171	0	0	0	123.3
28	G	23	Very low	31.2	Very low	73 Å²	73	129.9 Å²	129.9	75%	0.753	77%	0.766	S	S	*	*			trans	136.4	121.9	144.1	0	0	0	0	0	116.1
29	P	55	Low	31.7	Very low	128 Å²	128	133.3 Å²	133.3	83%	0.831	77%	0.766	S	S	*	*			trans	-98.8	159.2	175.6	38.1	-33.5	0	0	0	113.2
30	L	30.6	Very low	32.2	Very low	169 Å²	169	132 Å²	132	89%	0.885	76%	0.757	S	S	*	*			trans	-158.1	148	157.2	-114.4	164.1	0	0	0	110.9
31	E	30.6	Very low	32.8	Very low	189 Å²	189	136 Å²	136	88%	0.883	77%	0.77	S	S	*	*			trans	-84.4	148.5	-177.6	-60.9	148.2	114.4	0	0	111.4
32	G	30	Very low	33.2	Very low	74 Å²	74	131.4 Å²	131.4	76%	0.763	76%	0.763	S	S	*	*			trans	-169.3	103.1	178.6	0	0	0	0	0	112.5
33	G	31	Very low	33.7	Very low	63 Å²	63	131.6 Å²	131.6	65%	0.649	76%	0.756	S	S	*	*			trans	-65.8	141.9	-165.2	0	0	0	0	0	116.6	L35	G33-L35 PolarHBondContact O-N 2.77Å
34	Y	30.8	Very low	34.1	Very low	205 Å²	205	133.4 Å²	133.4	80%	0.804	76%	0.761	S	S	*	*	G	3₁₀ helix	trans	-58.1	-3.5	170.5	-101.1	-102.2	0	0	0	115.5	E36	Y34-E36 PolarHBondContact O-N 3.22Å
35	L	37.3	Very low	34.6	Very low	137 Å²	137	134.4 Å²	134.4	72%	0.717	76%	0.761	S	S	*	*	G	3₁₀ helix	trans	-77.7	-14.8	-172.5	-79.8	164.7	0	0	0	114.8	G33	G33-L35 PolarHBondContact O-N 2.77Å
36	E	38.8	Very low	35	Very low	179 Å²	179	132.7 Å²	132.7	84%	0.836	76%	0.763	S	S	*	*	G	3₁₀ helix	trans	-83.2	-21	176.6	-63.4	-165.5	145.9	0	0	113.3	Y34 L38	Y34-E36 PolarHBondContact O-N 3.22Å; E36-L38 VanDerWaalsContact C-N 3.32Å; E36-L38 PolarHBondContact O-N 3.04Å
37	L	40.1	Very low	35.3	Very low	134 Å²	134	133.8 Å²	133.8	70%	0.702	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-7.7	178.1	-92.2	162.8	0	0	0	114.4
38	L	36	Very low	35.7	Very low	138 Å²	138	136.7 Å²	136.7	72%	0.723	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	5.2	-178.9	-73.8	169.4	0	0	0	114.2	E36	E36-L38 VanDerWaalsContact C-N 3.32Å; E36-L38 PolarHBondContact O-N 3.04Å
39	N	37.4	Very low	36	Very low	147 Å²	147	142 Å²	142	79%	0.786	78%	0.778	S	S	*	*	S	Bend	trans	-131.2	30.2	-176	-74.7	-64.8	0	0	0	113.8
40	S	38.2	Very low	34.6	Very low	75 Å²	75	144.7 Å²	144.7	52%	0.524	78%	0.777	S	S	.	*			trans	-120.4	115.5	175.2	61.3	0	0	0	0	112.2	A42	S40-A42 PolarHBondContact O-N 3.01Å
41	D	41.7	Very low	34.4	Very low	185 Å²	185	147 Å²	147	99%	0.989	78%	0.776	S	S	*	*			trans	-70.2	87.3	173	-66.8	-53.1	0	0	0	110.9
42	A	37.7	Very low	34.2	Very low	81 Å²	81	145.5 Å²	145.5	67%	0.669	77%	0.774	S	S	*	*			trans	-134.2	138.8	179.8	0	0	0	0	0	112.2	S40	S40-A42 PolarHBondContact O-N 3.01Å
43	D	36.7	Very low	34.1	Very low	115 Å²	115	149.5 Å²	149.5	62%	0.615	77%	0.773	S	S	*	*			trans	-74.6	126.4	-176.9	-171.3	-25.2	0	0	0	111.6	L45	D43-L45 PolarHBondContact O-N 3.05Å; D43-L45 VanDerWaalsContact O-N 3.12Å; D43-L45 PolarHBondContact OD1-N 3.26Å; D43-L45 VanDerWaalsContact OD1-N 3.1Å
44	P	37.6	Very low	33.9	Very low	121 Å²	121	152.2 Å²	152.2	79%	0.786	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-60.3	-17.9	179.9	-25.9	35.6	0	0	0	116	C46	P44-C46 PolarHBondContact O-N 3.31Å; P44-C46 VanDerWaalsContact O-N 3.09Å
45	L	36.9	Very low	33.6	Very low	152 Å²	152	149 Å²	149	80%	0.796	77%	0.767	S	S	*	*	G	3₁₀ helix	trans	-76.7	11.7	-170.8	-77.7	167	0	0	0	116.2	D43	D43-L45 PolarHBondContact O-N 3.05Å; D43-L45 VanDerWaalsContact O-N 3.12Å; D43-L45 PolarHBondContact OD1-N 3.26Å; D43-L45 VanDerWaalsContact OD1-N 3.1Å
46	C	34.8	Very low	33.4	Very low	116 Å²	116	149 Å²	149	78%	0.784	77%	0.767	S	S	*	*	G	3₁₀ helix	trans	-116.6	14.9	-177.9	-76.7	0	0	0	0	116.2	P44	P44-C46 PolarHBondContact O-N 3.31Å; P44-C46 VanDerWaalsContact O-N 3.09Å
47	L	32.4	Very low	32.8	Very low	168 Å²	168	144.8 Å²	144.8	88%	0.88	76%	0.762	S	S	*	*	S	Bend	trans	-113.7	6	176	-82	171.5	0	0	0	115.7
48	Y	32.9	Very low	32.2	Very low	222 Å²	222	141.9 Å²	141.9	87%	0.871	77%	0.765	S	S	*	*	S	Bend	trans	-111.6	35.6	-176.6	-126.2	-82.7	0	0	0	115.3
49	H	29.8	Very low	31.9	Very low	184 Å²	184	144.2 Å²	144.2	85%	0.852	77%	0.772	S	S	*	*			trans	-142.8	82.5	169.2	-86.4	-42	0	0	0	112.7
50	F	25.6	Very low	31.5	Very low	184 Å²	184	145.8 Å²	145.8	81%	0.807	78%	0.775	S	S	*	*	S	Bend	trans	-152.7	132.3	141.1	-113	-73	0	0	0	110
51	Y	25.2	Very low	31	Very low	217 Å²	217	150.6 Å²	150.6	85%	0.851	79%	0.789	S	S	*	*			trans	63.1	85.9	-177.9	-60.1	-74.2	0	0	0	116.8
52	D	27.3	Very low	30.5	Very low	158 Å²	158	149.3 Å²	149.3	85%	0.845	78%	0.78	S	S	*	*				-134.9	172.4	128.5	-158.2	-4.7	0	0	0	108.6
53	Q	27.2	Very low	29.8	Very low	159 Å²	159	154.8 Å²	154.8	74%	0.743	79%	0.792	S	S	*	*			trans	75.6	138.2	176.2	-54.7	-172.1	-11.5	0	0	116.5
54	M	27.3	Very low	29.6	Very low	119 Å²	119	156.1 Å²	156.1	59%	0.586	80%	0.799	S	S	*	*			cis	-159.7	168.3	-11.6	-119.1	154.8	52.1	0	0	107.9	L56	M54-L56 HydrophobicContact CE-CD1 3.7Å; M54-L56 HydrophobicContact CE-CG 4.25Å
55	D	25.6	Very low	29	Very low	139 Å²	139	160.6 Å²	160.6	74%	0.743	80%	0.801	S	S	*	*				177	167.2	72.6	-94.9	-42.7	0	0	0	108
56	L	31.4	Very low	28.6	Very low	136 Å²	136	158.3 Å²	158.3	71%	0.712	80%	0.798	S	S	*	*			cis	-171.5	177	-42.7	-123.1	-170.9	0	0	0	109.1	M54	M54-L56 HydrophobicContact CE-CD1 3.7Å; M54-L56 HydrophobicContact CE-CG 4.25Å
57	A	27.3	Very low	28.7	Very low	90 Å²	90	161.8 Å²	161.8	74%	0.744	80%	0.803	S	S	*	*			trans	72	147.5	170.4	0	0	0	0	0	117.3
58	G	27.1	Very low	28.8	Very low	74 Å²	74	159.5 Å²	159.5	76%	0.763	80%	0.798	S	S	*	*			cis	-106.1	176.9	6.8	0	0	0	0	0	116.7
59	E	30.4	Very low	28.5	Very low	187 Å²	187	156.4 Å²	156.4	87%	0.874	80%	0.796	S	S	*	*			trans	-88.4	175.6	-170.4	-65.2	150.1	134.6	0	0	111.2
60	E	28.6	Very low	29.1	Very low	180 Å²	180	154.6 Å²	154.6	84%	0.841	80%	0.799	S	S	*	*				-152	147.2	51.7	-74.2	174.7	151.2	0	0	115.5
61	E	28.4	Very low	29.3	Very low	176 Å²	176	153 Å²	153	82%	0.822	80%	0.798	S	S	*	*			trans	51.5	87.2	144.9	-57.3	-164.6	150.5	0	0	123.1
62	I	29.5	Very low	30.2	Very low	157 Å²	157	149.1 Å²	149.1	81%	0.805	80%	0.797	S	S	*	*				26	122.2	115.3	-47.8	173	0	0	0	118.9
63	E	24.8	Very low	30.6	Very low	196 Å²	196	146.7 Å²	146.7	92%	0.916	78%	0.784	S	S	*	*				-145.9	151.8	129.8	-135	174.4	-157	0	0	111.5
64	L	31	Very low	31.2	Very low	143 Å²	143	143.1 Å²	143.1	75%	0.749	77%	0.77	S	S	*	*			trans	-98.3	154	-175.1	-71.6	140.6	0	0	0	111.3
65	Y	25.5	Very low	31.6	Very low	216 Å²	216	141.6 Å²	141.6	85%	0.847	77%	0.77	S	S	*	*				178.3	130.6	121	-103.3	-70	0	0	0	114.4
66	S	27.7	Very low	32.2	Very low	103 Å²	103	139.6 Å²	139.6	72%	0.72	76%	0.759	S	S	*	*			trans	46.8	127.2	150.1	56.2	0	0	0	0	122.4
67	E	38.4	Very low	32.5	Very low	189 Å²	189	138.2 Å²	138.2	88%	0.883	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-60.8	149.5	151.5	-58.2	174.4	131.3	0	0	111.7
68	P	34.1	Very low	33.1	Very low	120 Å²	120	137.8 Å²	137.8	78%	0.779	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-101.9	150.8	156.1	36	-29.1	0	0	0	112.1
69	D	27.4	Very low	33.6	Very low	157 Å²	157	136.6 Å²	136.6	84%	0.84	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-62.5	163.8	-175.8	-67.9	-84	0	0	0	115.9	D71	D69-D71 PolarHBondContact O-N 3.05Å; D69-D71 VanDerWaalsContact O-N 3.14Å
70	T	41.5	Very low	34.1	Very low	147 Å²	147	135.4 Å²	135.4	90%	0.902	70%	0.697	S	S	*	*			trans	-66.1	103.6	170.5	52	0	0	0	0	112.2
71	D	30.2	Very low	34.5	Very low	150 Å²	150	131.4 Å²	131.4	80%	0.802	68%	0.682	S	S	*	*			trans	-115.9	147.2	164.8	-115.6	-31.8	0	0	0	110.7	D69 I73	D69-D71 PolarHBondContact O-N 3.05Å; D69-D71 VanDerWaalsContact O-N 3.14Å; D71-I73 PolarHBondContact O-N 3.41Å; D71-I73 VanDerWaalsContact O-N 3.16Å
72	T	43.2	Very low	35	Very low	135 Å²	135	124.9 Å²	124.9	83%	0.828	65%	0.652	S	S	*	*			trans	-68.7	112.8	-173.7	46.1	0	0	0	0	112.4	N74	T72-N74 PolarHBondContact O-N 3.45Å
73	I	36.7	Very low	35.5	Very low	108 Å²	108	121 Å²	121	55%	0.554	64%	0.638	S	S	*	*			trans	-60.1	121.8	175.8	-57.2	177.1	0	0	0	110	D71 Q77 F78	D71-I73 PolarHBondContact O-N 3.41Å; D71-I73 VanDerWaalsContact O-N 3.16Å; I73-Q77 HydrophobicContact CG2-CB 3.81Å; I73-F78 HydrophobicContact CG2-CB 4.06Å
74	N	38.4	Very low	36.2	Very low	84 Å²	84	117.9 Å²	117.9	45%	0.449	63%	0.627	S	S	.	*			trans	-72.8	151.1	174.4	-178	16.6	0	0	0	110.7	T72 D76 Q77 F78	T72-N74 PolarHBondContact O-N 3.45Å; N74-D76 PolarHBondContact ND2-OD2 2.73Å; N74-D76 PolarHBondContact O-N 3.13Å; N74-D76 VanDerWaalsContact O-N 3.12Å; N74-Q77 VanDerWaalsContact N-OE1 3.16Å; N74-Q77 WeakPolarHBondContact O-CA 3.13Å; N74-Q77 WeakPolarHBondContact O-CB 3.24Å; N74-Q77 PolarHBondContact O-N 3.18Å; N74-F78 PolarHBondContact O-N 3.06Å
75	C	37.4	Very low	36.6	Very low	87 Å²	87	116.6 Å²	116.6	59%	0.588	62%	0.619	S	S	*	*	H	α-helix	trans	-52.6	-34.8	175.9	-67.1	0	0	0	0	112.6	Q77 S79	C75-Q77 VanDerWaalsContact C-N 3.31Å; C75-Q77 PolarHBondContact O-N 3.02Å; C75-S79 VanDerWaalsContact O-CB 3.23Å; C75-S79 WeakPolarHBondContact O-CB 3.26Å; C75-S79 PolarHBondContact O-N 2.74Å; C75-S79 PolarHBondContact O-OG 3.12Å
76	D	36.8	Very low	37.4	Very low	97 Å²	97	112.4 Å²	112.4	52%	0.519	61%	0.607	S	S	.	*	H	α-helix	trans	-67.1	-25	175.3	-70.1	-37.1	0	0	0	114.5	N74 R80	N74-D76 PolarHBondContact ND2-OD2 2.73Å; N74-D76 PolarHBondContact O-N 3.13Å; N74-D76 VanDerWaalsContact O-N 3.12Å; D76-R80 WeakPolarHBondContact O-CG 3.2Å; D76-R80 PolarHBondContact O-NE 3.45Å; D76-R80 VanDerWaalsContact O-NE 3.09Å
77	Q	37.6	Very low	37.9	Very low	107 Å²	107	110.9 Å²	110.9	50%	0.5	61%	0.607	S	S	.	*	H	α-helix	trans	-86.7	-44.1	176.3	-72.5	169.5	-46.6	0	0	110.4	I73 N74 C75 S79 R80 L81	I73-Q77 HydrophobicContact CG2-CB 3.81Å; N74-Q77 VanDerWaalsContact N-OE1 3.16Å; N74-Q77 WeakPolarHBondContact O-CA 3.13Å; N74-Q77 WeakPolarHBondContact O-CB 3.24Å; N74-Q77 PolarHBondContact O-N 3.18Å; C75-Q77 VanDerWaalsContact C-N 3.31Å; C75-Q77 PolarHBondContact O-N 3.02Å; Q77-S79 VanDerWaalsContact C-N 3.27Å; Q77-S79 PolarHBondContact O-N 3.33Å; Q77-R80 PolarHBondContact O-N 3.23Å; Q77-R80 VanDerWaalsContact O-N 3.08Å; Q77-L81 PolarHBondContact O-N 3.01Å; Q77-L81 VanDerWaalsContact O-N 3.16Å
78	F	40	Very low	38.4	Very low	81 Å²	81	105.7 Å²	105.7	36%	0.355	59%	0.586	S	S	.	*	H	α-helix	trans	-61.6	-36.9	174.4	-162.5	-103.5	0	0	0	111.7	I73 N74 R80 L81 L82 T1112	I73-F78 HydrophobicContact CG2-CB 4.06Å; N74-F78 PolarHBondContact O-N 3.06Å; F78-R80 VanDerWaalsContact C-N 3.28Å; F78-R80 PolarHBondContact O-N 2.78Å; F78-L81 PolarHBondContact O-N 2.94Å; F78-L82 HydrophobicContact CD1-CD1 3.78Å; F78-L82 HydrophobicContact CD1-CG 4.2Å; F78-L82 HydrophobicContact CE1-CD1 3.69Å; F78-L82 HydrophobicContact CE1-CD2 4.45Å; F78-L82 HydrophobicContact CE1-CG 4.02Å; F78-L82 PolarHBondContact O-N 3.18Å; F78-T1112 HydrophobicContact CD1-CG2 4.19Å; F78-T1112 HydrophobicContact CE1-CG2 3.57Å; F78-T1112 HydrophobicContact CZ-CG2 4.36Å
79	S	37.8	Very low	38.6	Very low	48 Å²	48	107.4 Å²	107.4	34%	0.336	58%	0.583	S	S	.	*	H	α-helix	trans	-63.7	-28.9	174.2	-62.2	0	0	0	0	113.5	C75 Q77 C83	C75-S79 VanDerWaalsContact O-CB 3.23Å; C75-S79 WeakPolarHBondContact O-CB 3.26Å; C75-S79 PolarHBondContact O-N 2.74Å; C75-S79 PolarHBondContact O-OG 3.12Å; Q77-S79 VanDerWaalsContact C-N 3.27Å; Q77-S79 PolarHBondContact O-N 3.33Å; S79-C83 PolarHBondContact O-N 2.83Å; S79-C83 VanDerWaalsContact O-N 3.13Å; S79-C83 PolarHBondContact O-SG 3.21Å
80	R	40.3	Very low	39.3	Very low	162 Å²	162	107.5 Å²	107.5	61%	0.611	58%	0.579	S	S	*	*	H	α-helix	trans	-75.4	-46.3	175.2	-68	169.9	-153.3	-178.6	3.9	111	D76 Q77 F78 L82 C83 D84	D76-R80 WeakPolarHBondContact O-CG 3.2Å; D76-R80 PolarHBondContact O-NE 3.45Å; D76-R80 VanDerWaalsContact O-NE 3.09Å; Q77-R80 PolarHBondContact O-N 3.23Å; Q77-R80 VanDerWaalsContact O-N 3.08Å; F78-R80 VanDerWaalsContact C-N 3.28Å; F78-R80 PolarHBondContact O-N 2.78Å; R80-L82 VanDerWaalsContact C-N 3.26Å; R80-L82 PolarHBondContact O-N 3.27Å; R80-C83 PolarHBondContact O-N 2.74Å; R80-D84 PolarHBondContact O-N 3.34Å
81	L	37.1	Very low	39.5	Very low	97 Å²	97	102.6 Å²	102.6	51%	0.508	55%	0.549	S	S	.	.	H	α-helix	trans	-55.8	-39.6	173.1	-85.8	156.7	0	0	0	112.3	Q77 F78 D84 M85	Q77-L81 PolarHBondContact O-N 3.01Å; Q77-L81 VanDerWaalsContact O-N 3.16Å; F78-L81 PolarHBondContact O-N 2.94Å; L81-D84 PolarHBondContact O-N 3.49Å; L81-M85 WeakPolarHBondContact O-CG 3.34Å; L81-M85 PolarHBondContact O-N 3.43Å; L81-M85 VanDerWaalsContact O-N 3.13Å
82	L	39.7	Very low	40.3	Very low	38 Å²	38	102.4 Å²	102.4	20%	0.199	54%	0.537	C	S	.	.	H	α-helix	trans	-65.8	-44.4	172.4	-77.2	173.9	0	0	0	112.8	F78 R80 D84 M85 E86	F78-L82 HydrophobicContact CD1-CD1 3.78Å; F78-L82 HydrophobicContact CD1-CG 4.2Å; F78-L82 HydrophobicContact CE1-CD1 3.69Å; F78-L82 HydrophobicContact CE1-CD2 4.45Å; F78-L82 HydrophobicContact CE1-CG 4.02Å; F78-L82 PolarHBondContact O-N 3.18Å; R80-L82 VanDerWaalsContact C-N 3.26Å; R80-L82 PolarHBondContact O-N 3.27Å; L82-D84 PolarHBondContact O-N 2.87Å; L82-M85 CarbonylContact O-C 3.2Å; L82-M85 PolarHBondContact O-N 3.06Å; L82-E86 WeakPolarHBondContact O-CG 3.09Å; L82-E86 PolarHBondContact O-N 3.09Å
83	C	40.5	Very low	40.2	Very low	75 Å²	75	102.4 Å²	102.4	51%	0.507	53%	0.528	S	S	.	.	H	α-helix	trans	-62.1	-31.8	175.3	-70.3	0	0	0	0	113.1	S79 R80 M85	S79-C83 PolarHBondContact O-N 2.83Å; S79-C83 VanDerWaalsContact O-N 3.13Å; S79-C83 PolarHBondContact O-SG 3.21Å; R80-C83 PolarHBondContact O-N 2.74Å; C83-M85 VanDerWaalsContact C-N 3.33Å
84	D	39.5	Very low	40.4	Very low	131 Å²	131	99.7 Å²	99.7	70%	0.701	52%	0.521	S	S	*	.	H	α-helix	trans	-72.9	-26.1	174.3	-66	-33.6	0	0	0	111.9	R80 L81 L82	R80-D84 PolarHBondContact O-N 3.34Å; L81-D84 PolarHBondContact O-N 3.49Å; L82-D84 PolarHBondContact O-N 2.87Å
85	M	38.8	Very low	40.7	Very low	116 Å²	116	100.3 Å²	100.3	57%	0.571	52%	0.518	S	S	*	.	H	α-helix	trans	-84.1	-27.3	172.7	-69	177.9	69.3	0	0	113.9	L81 L82 C83 G87 D88	L81-M85 WeakPolarHBondContact O-CG 3.34Å; L81-M85 PolarHBondContact O-N 3.43Å; L81-M85 VanDerWaalsContact O-N 3.13Å; L82-M85 CarbonylContact O-C 3.2Å; L82-M85 PolarHBondContact O-N 3.06Å; C83-M85 VanDerWaalsContact C-N 3.33Å; M85-G87 PolarHBondContact O-N 2.86Å; M85-D88 PolarHBondContact O-N 3.04Å
86	E	42.3	Very low	40.8	Very low	129 Å²	129	98.5 Å²	98.5	60%	0.603	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-8.6	175.1	-77.7	175.8	-167.9	0	0	113.3	L82 K1084	L82-E86 WeakPolarHBondContact O-CG 3.09Å; L82-E86 PolarHBondContact O-N 3.09Å; E86-K1084 IonicContact OE1-NZ 2.85Å
87	G	39.2	Very low	41	Very low	70 Å²	70	98.1 Å²	98.1	72%	0.722	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-4.7	175.7	0	0	0	0	0	116.3	M85	M85-G87 PolarHBondContact O-N 2.86Å
88	D	47.3	Very low	41.4	Very low	81 Å²	81	96 Å²	96	43%	0.433	50%	0.498	S	S	.	.			trans	-97.6	123.1	-177.1	-179.7	37.2	0	0	0	113.3	M85 T91 R92	M85-D88 PolarHBondContact O-N 3.04Å; D88-T91 PolarHBondContact O-OG1 3.22Å; D88-T91 PolarHBondContact OD2-OG1 3.02Å; D88-R92 PolarHBondContact O-N 3.07Å
89	E	39.9	Very low	41.4	Very low	155 Å²	155	93.4 Å²	93.4	72%	0.724	49%	0.492	S	S	*	.	H	α-helix	trans	-71	-32.2	-175.2	-70.4	-119.6	144.4	0	0	112.6	R92 E93	E89-R92 PolarHBondContact O-N 3.31Å; E89-E93 PolarHBondContact O-N 3.37Å
90	E	41.1	Very low	41.5	Very low	159 Å²	159	97.6 Å²	97.6	74%	0.743	51%	0.507	S	S	*	.	H	α-helix	trans	-68.8	-41.8	-178.2	-67.6	-165.6	152.2	0	0	111.6	R92 E93 A94	E90-R92 VanDerWaalsContact C-N 3.34Å; E90-R92 PolarHBondContact O-N 2.86Å; E90-E93 PolarHBondContact O-N 2.85Å; E90-A94 WeakPolarHBondContact O-CB 3.44Å; E90-A94 PolarHBondContact O-N 2.74Å
91	T	46	Very low	41.3	Very low	44 Å²	44	96.1 Å²	96.1	27%	0.27	51%	0.51	S	S	.	.	H	α-helix	trans	-63.1	-38.5	169.5	27	0	0	0	0	112.8	D88 A94 Y95	D88-T91 PolarHBondContact O-OG1 3.22Å; D88-T91 PolarHBondContact OD2-OG1 3.02Å; T91-A94 PolarHBondContact O-N 3.36Å; T91-Y95 HydrophobicContact CG2-CE2 4.38Å; T91-Y95 WeakPolarHBondContact O-CD2 3.38Å; T91-Y95 PolarHBondContact O-N 3Å
92	R	46.3	Very low	41.4	Very low	147 Å²	147	93.3 Å²	93.3	56%	0.555	50%	0.496	S	S	*	.	H	α-helix	trans	-65.8	-39.2	178.7	-174.2	174.7	169.4	113.6	6.4	111.8	D88 E89 E90 A96 E997	D88-R92 PolarHBondContact O-N 3.07Å; E89-R92 PolarHBondContact O-N 3.31Å; E90-R92 VanDerWaalsContact C-N 3.34Å; E90-R92 PolarHBondContact O-N 2.86Å; R92-A96 PolarHBondContact O-N 2.99Å; R92-A96 VanDerWaalsContact O-N 3.15Å; R92-E997 IonicContact CZ-OE1 3.68Å; R92-E997 VanDerWaalsContact CZ-OE1 3.3Å; R92-E997 IonicContact NH1-OE1 3.9Å; R92-E997 PolarHBondContact NH1-OE1 3.01Å; R92-E997 IonicContact NH2-OE1 2.96Å; R92-E997 PolarHBondContact NH2-OE1 3.43Å
93	E	41.1	Very low	41.4	Very low	135 Å²	135	95.9 Å²	95.9	63%	0.631	51%	0.506	S	S	*	.	H	α-helix	trans	-69.5	-39.2	174	-171	166.5	-143.3	0	0	111.4	E89 E90 Y95 A96 N97	E89-E93 PolarHBondContact O-N 3.37Å; E90-E93 PolarHBondContact O-N 2.85Å; E93-Y95 PolarHBondContact O-N 2.94Å; E93-A96 PolarHBondContact O-N 3.49Å; E93-N97 PolarHBondContact O-N 2.86Å; E93-N97 VanDerWaalsContact O-N 3.08Å; E93-N97 PolarHBondContact O-ND2 2.58Å
94	A	40.8	Very low	41.3	Very low	50 Å²	50	100.3 Å²	100.3	41%	0.413	51%	0.514	S	S	.	.	H	α-helix	trans	-59.2	-46.6	175.1	0	0	0	0	0	112.6	E90 T91 A96 N97 I98	E90-A94 WeakPolarHBondContact O-CB 3.44Å; E90-A94 PolarHBondContact O-N 2.74Å; T91-A94 PolarHBondContact O-N 3.36Å; A94-A96 PolarHBondContact O-N 2.86Å; A94-N97 PolarHBondContact O-N 3.44Å; A94-I98 PolarHBondContact O-N 3.28Å
95	Y	44.7	Very low	41.1	Very low	97 Å²	97	98.3 Å²	98.3	38%	0.38	51%	0.506	S	S	.	.	H	α-helix	trans	-68.3	-31.5	177	-64.8	-51.2	0	0	0	113.3	T91 E93 I98 A99 Y1082	T91-Y95 HydrophobicContact CG2-CE2 4.38Å; T91-Y95 WeakPolarHBondContact O-CD2 3.38Å; T91-Y95 PolarHBondContact O-N 3Å; E93-Y95 PolarHBondContact O-N 2.94Å; Y95-I98 HydrophobicContact CD1-CD1 4.27Å; Y95-I98 PolarHBondContact O-N 3.22Å; Y95-A99 PolarHBondContact O-N 2.98Å; Y95-A99 VanDerWaalsContact O-N 3.12Å; Y95-Y1082 HydrophobicContact CD1-CD1 4.49Å; Y95-Y1082 AromaticContact CD1-CE1 3.54Å; Y95-Y1082 HydrophobicContact CD1-CE1 3.54Å; Y95-Y1082 AromaticContact CE1-CE1 3.57Å; Y95-Y1082 HydrophobicContact CE1-CE1 3.57Å; Y95-Y1082 HydrophobicContact CG-CE1 4.41Å
96	A	41.2	Very low	41.2	Very low	49 Å²	49	95.3 Å²	95.3	41%	0.405	49%	0.49	S	S	.	.	H	α-helix	trans	-64.3	-40.2	173.1	0	0	0	0	0	112.3	R92 E93 A94 I98 A99 E100	R92-A96 PolarHBondContact O-N 2.99Å; R92-A96 VanDerWaalsContact O-N 3.15Å; E93-A96 PolarHBondContact O-N 3.49Å; A94-A96 PolarHBondContact O-N 2.86Å; A96-I98 VanDerWaalsContact C-N 3.3Å; A96-I98 PolarHBondContact O-N 3.4Å; A96-A99 PolarHBondContact O-N 3.3Å; A96-E100 PolarHBondContact O-N 3.18Å; A96-E100 VanDerWaalsContact O-N 3.15Å
97	N	40.5	Very low	40.9	Very low	89 Å²	89	94.4 Å²	94.4	48%	0.476	49%	0.486	S	S	.	.	H	α-helix	trans	-67.3	-28.1	176.2	-74.9	-79.2	0	0	0	113	E93 A94	E93-N97 PolarHBondContact O-N 2.86Å; E93-N97 VanDerWaalsContact O-N 3.08Å; E93-N97 PolarHBondContact O-ND2 2.58Å; A94-N97 PolarHBondContact O-N 3.44Å
98	I	45.1	Very low	40.4	Very low	62 Å²	62	95.9 Å²	95.9	32%	0.318	48%	0.477	S	S	.	.	H	α-helix	trans	-72.2	-40.8	172.9	-65.8	167.8	0	0	0	110.5	A94 Y95 A96 E100 L101 D102	A94-I98 PolarHBondContact O-N 3.28Å; Y95-I98 HydrophobicContact CD1-CD1 4.27Å; Y95-I98 PolarHBondContact O-N 3.22Å; A96-I98 VanDerWaalsContact C-N 3.3Å; A96-I98 PolarHBondContact O-N 3.4Å; I98-E100 VanDerWaalsContact C-N 3.28Å; I98-E100 PolarHBondContact O-N 3.33Å; I98-L101 WeakPolarHBondContact O-CB 3.42Å; I98-L101 PolarHBondContact O-N 3.33Å; I98-D102 PolarHBondContact O-N 3Å
99	A	40.6	Very low	39.8	Very low	28 Å²	28	95.4 Å²	95.4	23%	0.231	48%	0.48	C	S	.	.	H	α-helix	trans	-64.3	-28.3	175.4	0	0	0	0	0	113.6	Y95 A96 L101 Q103	Y95-A99 PolarHBondContact O-N 2.98Å; Y95-A99 VanDerWaalsContact O-N 3.12Å; A96-A99 PolarHBondContact O-N 3.3Å; A99-L101 VanDerWaalsContact C-N 3.27Å; A99-L101 PolarHBondContact O-N 2.96Å; A99-Q103 PolarHBondContact O-N 2.93Å
100	E	39.4	Very low	39.5	Very low	136 Å²	136	96.2 Å²	96.2	64%	0.636	48%	0.484	S	S	*	.	H	α-helix	trans	-67.8	-24.2	170.4	-70.6	-159.1	161	0	0	113.2	A96 I98	A96-E100 PolarHBondContact O-N 3.18Å; A96-E100 VanDerWaalsContact O-N 3.15Å; I98-E100 VanDerWaalsContact C-N 3.28Å; I98-E100 PolarHBondContact O-N 3.33Å
101	L	36.9	Very low	39.2	Very low	130 Å²	130	95.4 Å²	95.4	68%	0.681	48%	0.484	S	S	*	.	H	α-helix	trans	-81.9	-40.4	175.7	-73.8	162.9	0	0	0	112.4	I98 A99 Q103 Y104	I98-L101 WeakPolarHBondContact O-CB 3.42Å; I98-L101 PolarHBondContact O-N 3.33Å; A99-L101 VanDerWaalsContact C-N 3.27Å; A99-L101 PolarHBondContact O-N 2.96Å; L101-Q103 VanDerWaalsContact C-N 3.26Å; L101-Q103 PolarHBondContact O-N 2.97Å; L101-Y104 WeakPolarHBondContact O-CB 3.5Å; L101-Y104 PolarHBondContact O-N 3.26Å; L101-Y104 VanDerWaalsContact O-N 3.13Å
102	D	39	Very low	38.3	Very low	39 Å²	39	101 Å²	101	21%	0.209	51%	0.507	C	S	.	.	H	α-helix	trans	-71.3	-21.7	-179.3	-166.1	51.5	0	0	0	113.1	I98 Y104 V105 F106	I98-D102 PolarHBondContact O-N 3Å; D102-Y104 PolarHBondContact O-N 3.39Å; D102-V105 WeakPolarHBondContact O-CB 3.41Å; D102-V105 PolarHBondContact O-N 2.94Å; D102-F106 PolarHBondContact O-N 3Å; D102-F106 WeakPolarHBondContact OD2-CE2 3.3Å
103	Q	38.8	Very low	37.5	Very low	91 Å²	91	97.4 Å²	97.4	43%	0.425	52%	0.516	S	S	.	.	H	α-helix	trans	-55.2	-23.7	167.8	-85.9	-166.1	23.6	0	0	114	A99 L101 Q107	A99-Q103 PolarHBondContact O-N 2.93Å; L101-Q103 VanDerWaalsContact C-N 3.26Å; L101-Q103 PolarHBondContact O-N 2.97Å; Q103-Q107 VanDerWaalsContact O-CB 3.29Å; Q103-Q107 WeakPolarHBondContact O-CB 3.49Å; Q103-Q107 WeakPolarHBondContact O-CG 3.33Å; Q103-Q107 PolarHBondContact O-N 3.17Å; Q103-Q107 PolarHBondContact O-NE2 3.3Å
104	Y	38	Very low	36.9	Very low	168 Å²	168	99.2 Å²	99.2	66%	0.659	53%	0.528	S	S	*	.	H	α-helix	trans	-66.6	-45.5	172.7	-121.3	-88.8	0	0	0	111.5	L101 D102 F106 Q107 D108	L101-Y104 WeakPolarHBondContact O-CB 3.5Å; L101-Y104 PolarHBondContact O-N 3.26Å; L101-Y104 VanDerWaalsContact O-N 3.13Å; D102-Y104 PolarHBondContact O-N 3.39Å; Y104-F106 VanDerWaalsContact C-N 3.28Å; Y104-F106 PolarHBondContact O-N 2.75Å; Y104-Q107 PolarHBondContact O-N 3.42Å; Y104-D108 PolarHBondContact O-N 3.22Å
105	V	37.4	Very low	36.4	Very low	90 Å²	90	101.1 Å²	101.1	55%	0.545	54%	0.539	S	S	.	.	H	α-helix	trans	-62.1	-36.7	-177.6	-175.3	0	0	0	0	111.3	D102	D102-V105 WeakPolarHBondContact O-CB 3.41Å; D102-V105 PolarHBondContact O-N 2.94Å
106	F	39.7	Very low	35.6	Very low	52 Å²	52	104.9 Å²	104.9	23%	0.228	56%	0.557	C	S	.	*	H	α-helix	trans	-82.9	-13.1	176.1	-78.2	-86.7	0	0	0	114.8	D102 Y104 V1077 D1079	D102-F106 PolarHBondContact O-N 3Å; D102-F106 WeakPolarHBondContact OD2-CE2 3.3Å; Y104-F106 VanDerWaalsContact C-N 3.28Å; Y104-F106 PolarHBondContact O-N 2.75Å; F106-V1077 HydrophobicContact CE1-CG1 4.29Å; F106-V1077 HydrophobicContact CZ-CG1 4.11Å; F106-D1079 HydrophobicContact CZ-CB 4.27Å
107	Q	35.2	Very low	35	Very low	110 Å²	110	110.5 Å²	110.5	51%	0.514	58%	0.58	S	S	.	*	H	α-helix	trans	-97.9	-24.6	-178	-77.3	177.8	49.3	0	0	115.1	Q103 Y104 S109 Q110	Q103-Q107 VanDerWaalsContact O-CB 3.29Å; Q103-Q107 WeakPolarHBondContact O-CB 3.49Å; Q103-Q107 WeakPolarHBondContact O-CG 3.33Å; Q103-Q107 PolarHBondContact O-N 3.17Å; Q103-Q107 PolarHBondContact O-NE2 3.3Å; Y104-Q107 PolarHBondContact O-N 3.42Å; Q107-S109 PolarHBondContact O-N 3.23Å; Q107-Q110 PolarHBondContact O-N 2.74Å; Q107-Q110 VanDerWaalsContact O-N 3.12Å
108	D	29.2	Very low	34.5	Very low	102 Å²	102	113.3 Å²	113.3	55%	0.545	59%	0.594	S	S	.	*	G	3₁₀ helix	trans	-61.8	-9.1	-167.4	-96.3	-22.8	0	0	0	116.4	Y104 Q110	Y104-D108 PolarHBondContact O-N 3.22Å; D108-Q110 VanDerWaalsContact C-N 3.33Å; D108-Q110 PolarHBondContact O-N 3.49Å
109	S	34.6	Very low	33.6	Very low	70 Å²	70	119.7 Å²	119.7	49%	0.49	62%	0.62	S	S	.	*	G	3₁₀ helix	trans	-80.1	0.3	172.4	56.1	0	0	0	0	115.6	Q107 L111 R1049	Q107-S109 PolarHBondContact O-N 3.23Å; S109-L111 VanDerWaalsContact C-N 3.35Å; S109-L111 PolarHBondContact O-N 2.97Å; S109-R1049 PolarHBondContact OG-NH2 2.98Å
110	Q	34.9	Very low	32.8	Very low	173 Å²	173	126.3 Å²	126.3	81%	0.808	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-77.8	-10.7	179.4	-68.1	-132.8	-6.8	0	0	115.2	Q107 D108	Q107-Q110 PolarHBondContact O-N 2.74Å; Q107-Q110 VanDerWaalsContact O-N 3.12Å; D108-Q110 VanDerWaalsContact C-N 3.33Å; D108-Q110 PolarHBondContact O-N 3.49Å
111	L	32.9	Very low	32.1	Very low	142 Å²	142	127.7 Å²	127.7	74%	0.743	66%	0.656	S	S	*	*	S	Bend	trans	-99.9	-20.2	-172.2	-83.2	165.7	0	0	0	116.1	S109 G113	S109-L111 VanDerWaalsContact C-N 3.35Å; S109-L111 PolarHBondContact O-N 2.97Å; L111-G113 PolarHBondContact O-N 3.1Å
112	E	28.6	Very low	31.6	Very low	162 Å²	162	129.6 Å²	129.6	76%	0.757	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-9.3	-176.1	-67.2	-149.6	109.9	0	0	114.9
113	G	29.3	Very low	31	Very low	71 Å²	71	135.7 Å²	135.7	73%	0.732	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-5	-174.7	0	0	0	0	0	116.8	L111	L111-G113 PolarHBondContact O-N 3.1Å
114	L	29.3	Very low	30.3	Very low	172 Å²	172	134.3 Å²	134.3	90%	0.901	70%	0.702	S	S	*	*	S	Bend	trans	-137.1	6.3	-166.6	-86.3	169.3	0	0	0	116.1
115	S	29.2	Very low	30.1	Very low	90 Å²	90	131.8 Å²	131.8	63%	0.629	71%	0.706	S	S	*	*	S	Bend	trans	-110.3	19	-171.1	58.1	0	0	0	0	115.5
116	K	27.8	Very low	29.6	Very low	177 Å²	177	134.5 Å²	134.5	77%	0.77	72%	0.718	S	S	*	*	S	Bend	trans	-133.3	77.5	178.7	-68.9	174.6	-176.2	159.8	0	111.7
117	D	28.3	Very low	28.9	Very low	167 Å²	167	140.7 Å²	140.7	89%	0.893	75%	0.747	S	S	*	*	S	Bend	trans	-175.3	20.8	152.6	-102	-10.4	0	0	0	115.1
118	I	30.7	Very low	28.5	Very low	147 Å²	147	141.7 Å²	141.7	75%	0.754	76%	0.761	S	S	*	*	S	Bend	trans	-138.4	144.1	168.3	-46	179.5	0	0	0	109
119	F	25.9	Very low	28.3	Very low	197 Å²	197	145 Å²	145	86%	0.864	78%	0.777	S	S	*	*			trans	79	71.5	178.5	-64.9	-79.4	0	0	0	118.6
120	I	24.6	Very low	27.8	Very low	166 Å²	166	144.9 Å²	144.9	85%	0.851	79%	0.786	S	S	*	*			trans	-130.7	158.1	132.6	-66.3	-171.2	0	0	0	107.5
121	E	24.3	Very low	27.4	Very low	165 Å²	165	145.7 Å²	145.7	77%	0.771	79%	0.79	S	S	*	*			trans	72.6	116.3	-169.1	-51.9	-166.9	166	0	0	113.8
122	H	25.5	Very low	27	Very low	171 Å²	171	145.2 Å²	145.2	79%	0.792	80%	0.799	S	S	*	*			cis	-129.8	170.2	10.2	-56.4	48.9	0	0	0	108.4
123	I	26.7	Very low	26.7	Very low	166 Å²	166	145.7 Å²	145.7	85%	0.851	80%	0.803	S	S	*	*			cis	-145	161.9	28.9	-64.3	172.4	0	0	0	109.4
124	G	23.5	Very low	26.4	Very low	63 Å²	63	150.9 Å²	150.9	65%	0.649	81%	0.808	S	S	*	*			trans	-76.6	-172.1	176.6	0	0	0	0	0	117.3
125	P	34.9	Very low	26	Very low	114 Å²	114	150.9 Å²	150.9	74%	0.74	81%	0.806	S	S	*	*			trans	-123.9	175.4	-144.7	44.9	-35.8	0	0	0	118.6
126	D	26.8	Very low	26.6	Very low	147 Å²	147	152 Å²	152	79%	0.786	81%	0.811	S	S	*	*			trans	77.5	159.3	146.5	-68.4	-34.5	0	0	0	124.4
127	E	25.3	Very low	26.4	Very low	182 Å²	182	148.4 Å²	148.4	85%	0.85	81%	0.814	S	S	*	*			trans	67.7	117.3	175.2	-53.2	-163.4	152.5	0	0	117.8
128	V	26.7	Very low	26.2	Very low	131 Å²	131	149.2 Å²	149.2	79%	0.794	81%	0.812	S	S	*	*			cis	100.5	135.9	17.2	-171.7	0	0	0	0	114.6
129	I	25.6	Very low	26	Very low	173 Å²	173	149.1 Å²	149.1	89%	0.887	82%	0.818	S	S	*	*			trans	70.6	135.5	-175.5	-37.9	-171.6	0	0	0	114.6
130	G	23.9	Very low	25.9	Very low	67 Å²	67	142.8 Å²	142.8	69%	0.691	81%	0.809	S	S	*	*			cis	179.1	-176	-4.4	0	0	0	0	0	114.2
131	E	26.4	Very low	26	Very low	190 Å²	190	143.9 Å²	143.9	89%	0.888	81%	0.81	S	S	*	*			trans	-44.6	150.6	-168.5	-56.7	172.7	145.9	0	0	119.8
132	S	23	Very low	26.1	Very low	132 Å²	132	145.4 Å²	145.4	92%	0.923	81%	0.814	S	S	*	*			trans	-159.8	148.2	137.9	-81.3	0	0	0	0	111
133	M	24.3	Very low	26.2	Very low	172 Å²	172	141.9 Å²	141.9	85%	0.847	81%	0.809	S	S	*	*			trans	-145.6	137.7	-165	161.7	177.9	145.4	0	0	110.5
134	E	22.9	Very low	26.2	Very low	179 Å²	179	141.6 Å²	141.6	84%	0.836	80%	0.804	S	S	*	*			trans	179.2	173.9	131.9	-100.6	-171.5	164.8	0	0	113.4
135	M	20.6	Very low	26.2	Very low	173 Å²	173	146.6 Å²	146.6	85%	0.852	81%	0.808	S	S	*	*			trans	-122.7	-152.7	-168.2	-66.9	-98.9	-70.4	0	0	109.3
136	P	41	Very low	25.5	Very low	113 Å²	113	152.4 Å²	152.4	73%	0.734	82%	0.815	S	S	*	*			cis	-129.3	171.4	-27.8	21.7	1.2	0	0	0	114.6
137	A	23	Very low	26	Very low	101 Å²	101	151.1 Å²	151.1	84%	0.835	82%	0.815	S	S	*	*			trans	-160.2	150.3	141.1	0	0	0	0	0	111.2
138	E	25.7	Very low	26	Very low	185 Å²	185	151.6 Å²	151.6	86%	0.864	82%	0.815	S	S	*	*			trans	-86.6	169.7	-174.1	-56.2	178.1	121.4	0	0	112.1
139	V	24.8	Very low	26.4	Very low	144 Å²	144	151 Å²	151	87%	0.873	81%	0.814	S	S	*	*			cis	-151.7	154.5	35.2	173.7	0	0	0	0	108.3
140	G	24.6	Very low	26.3	Very low	65 Å²	65	151.3 Å²	151.3	67%	0.67	81%	0.811	S	S	*	*			cis	178.5	-132.4	7.2	0	0	0	0	0	112.5
141	Q	26.1	Very low	26.3	Very low	189 Å²	189	157.5 Å²	157.5	88%	0.883	82%	0.822	S	S	*	*			trans	-132.3	151.6	-168.7	-59.9	176.5	-6.9	0	0	112.2
142	K	26.2	Very low	26.3	Very low	196 Å²	196	156 Å²	156	85%	0.852	82%	0.819	S	S	*	*			cis	67.6	131.2	48.2	-93.4	-177.4	-179.4	177.1	0	112.8
143	S	27.6	Very low	26.8	Very low	98 Å²	98	155.2 Å²	155.2	69%	0.685	81%	0.811	S	S	*	*			cis	-160.6	178.7	8.6	-54.5	0	0	0	0	114.2
144	Q	26.5	Very low	26.8	Very low	160 Å²	160	150.8 Å²	150.8	75%	0.748	80%	0.802	S	S	*	*				107.6	139.3	128.8	-107.3	-174.5	44.9	0	0	124.5
145	K	23.6	Very low	26.9	Very low	167 Å²	167	149.3 Å²	149.3	73%	0.726	80%	0.8	S	S	*	*			trans	98.1	106.3	146.1	-75	165.8	175	165.2	0	123.6
146	R	21.3	Very low	27.1	Very low	236 Å²	236	148 Å²	148	89%	0.891	80%	0.795	S	S	*	*			trans	61.3	167	132.3	-68.5	-173.6	179.7	-174.4	0.1	120.5
147	P	36.1	Very low	26.3	Very low	120 Å²	120	150.1 Å²	150.1	78%	0.779	79%	0.793	S	S	*	*			cis	-134.1	-167.3	-38.9	38.8	-20	0	0	0	114.4
148	F	26.2	Very low	26.4	Very low	193 Å²	193	152.9 Å²	152.9	85%	0.846	79%	0.788	S	S	*	*			trans	-66.2	171.9	173.4	-82	-82.9	0	0	0	114.8
149	P	35.1	Very low	26.2	Very low	119 Å²	119	155.9 Å²	155.9	77%	0.773	79%	0.792	S	S	*	*			cis	-142.6	-146.8	31.5	45.7	-23.8	0	0	0	117.7
150	E	23.6	Very low	26	Very low	178 Å²	178	158 Å²	158	83%	0.832	79%	0.79	S	S	*	*			trans	-89.8	158.6	-162.7	-57.1	155.3	105.1	0	0	116.3
151	E	23.9	Very low	26.5	Very low	197 Å²	197	160.7 Å²	160.7	92%	0.921	80%	0.795	S	S	*	*				178.5	166.2	120.6	-99.5	-172.7	166.8	0	0	113.1
152	L	27.4	Very low	26.3	Very low	158 Å²	158	156.5 Å²	156.5	83%	0.827	79%	0.793	S	S	*	*			trans	-112.9	155.3	176	-96.5	169.4	0	0	0	108.9
153	P	32.9	Very low	26.2	Very low	117 Å²	117	156 Å²	156	76%	0.76	79%	0.794	S	S	*	*				-163.1	174.8	73.4	44.1	-22.4	0	0	0	120.2
154	A	23.8	Very low	27	Very low	79 Å²	79	156.8 Å²	156.8	65%	0.653	80%	0.796	S	S	*	*			trans	58.4	126.4	139.7	0	0	0	0	0	124.6
155	D	24.3	Very low	27.4	Very low	147 Å²	147	154.6 Å²	154.6	79%	0.786	80%	0.795	S	S	*	*			trans	50.9	127.8	135.1	-54.7	-29.7	0	0	0	123.4
156	L	24.9	Very low	27.4	Very low	145 Å²	145	152.4 Å²	152.4	76%	0.759	80%	0.797	S	S	*	*				173.3	126	102.7	-89	159.8	0	0	0	114.7
157	K	24.5	Very low	27.6	Very low	158 Å²	158	146.9 Å²	146.9	69%	0.687	79%	0.788	S	S	*	*			trans	66.2	129.4	141.4	-73.9	175.5	-177.9	168.6	0	124
158	H	26	Very low	27.1	Very low	160 Å²	160	147.5 Å²	147.5	74%	0.741	79%	0.79	S	S	*	*			trans	59.3	133.1	144.3	-48.2	-40	0	0	0	118.3
159	W	22	Very low	27.1	Very low	248 Å²	248	144.9 Å²	144.9	94%	0.939	79%	0.79	S	S	*	*			cis	-154.8	165.5	46.2	-111.7	-30.6	0	0	0	114.3
160	K	20.5	Very low	26.6	Very low	189 Å²	189	142.5 Å²	142.5	82%	0.822	79%	0.787	S	S	*	*			trans	-126.2	168	152.7	-100.3	-170.8	178.7	-175.4	0	106.2
161	P	34.8	Very low	26.8	Very low	121 Å²	121	139.1 Å²	139.1	79%	0.786	78%	0.783	S	S	*	*			cis	-128.8	-177.6	-16	40.5	-25.4	0	0	0	112.8
162	A	21.8	Very low	26.9	Very low	101 Å²	101	137.2 Å²	137.2	84%	0.835	78%	0.779	S	S	*	*			trans	-173	140.3	144.8	0	0	0	0	0	113.5
163	E	22.8	Very low	26.8	Very low	186 Å²	186	136.6 Å²	136.6	87%	0.869	78%	0.775	S	S	*	*			trans	-112.7	-179.4	155.8	-62.1	-177.2	132.1	0	0	108
164	P	44.9	Very low	26.5	Very low	114 Å²	114	137 Å²	137	74%	0.74	78%	0.776	S	S	*	*			cis	-112.6	-150.2	-38.8	30.1	-9.3	0	0	0	108.9
165	P	34.5	Very low	26.5	Very low	113 Å²	113	136.5 Å²	136.5	73%	0.734	78%	0.777	S	S	*	*				-151.7	168	73	39	-17.1	0	0	0	118.6
166	T	23.6	Very low	27.3	Very low	122 Å²	122	135 Å²	135	75%	0.748	78%	0.776	S	S	*	*			trans	-34.4	166.7	155.6	54.4	0	0	0	0	118.2
167	V	25.9	Very low	27.3	Very low	119 Å²	119	134.3 Å²	134.3	72%	0.721	78%	0.777	S	S	*	*			cis	-173.9	-175.7	-0.6	132.8	0	0	0	0	109.6
168	V	25.3	Very low	27.4	Very low	134 Å²	134	132.1 Å²	132.1	81%	0.812	78%	0.782	S	S	*	*			trans	64.2	147.7	173.1	-102.6	0	0	0	0	117.1
169	T	26.8	Very low	27.2	Very low	137 Å²	137	131.6 Å²	131.6	84%	0.84	79%	0.785	S	S	*	*			cis	-138	170.6	9.8	43.2	0	0	0	0	110.3
170	G	24.7	Very low	27.2	Very low	70 Å²	70	125.8 Å²	125.8	72%	0.722	78%	0.78	S	S	*	*			cis	163.2	126.1	-11.1	0	0	0	0	0	115.1
171	S	26.6	Very low	27.4	Very low	107 Å²	107	121.8 Å²	121.8	75%	0.748	78%	0.776	S	S	*	*			trans	54	129.3	151.6	-156	0	0	0	0	123.8
172	L	26.3	Very low	26.9	Very low	157 Å²	157	122.4 Å²	122.4	82%	0.822	78%	0.778	S	S	*	*			trans	176.4	104.3	137.9	-92.6	155.1	0	0	0	106.9
173	L	26.5	Very low	27.2	Very low	144 Å²	144	125 Å²	125	75%	0.754	78%	0.777	S	S	*	*				59.8	125.5	83.7	-65.7	177.9	0	0	0	113.1
174	V	26.4	Very low	27.5	Very low	127 Å²	127	122.1 Å²	122.1	77%	0.77	78%	0.775	S	S	*	*			cis	-152.8	142.9	1.6	151.1	0	0	0	0	105.3
175	G	24.5	Very low	26.4	Very low	67 Å²	67	121.5 Å²	121.5	69%	0.691	77%	0.772	S	S	*	*				87.2	159.9	57.9	0	0	0	0	0	111.9
176	P	39.3	Very low	26	Very low	117 Å²	117	124.1 Å²	124.1	76%	0.76	78%	0.779	S	S	*	*			cis	-137.5	-157.2	-9.4	34.6	-10	0	0	0	114.1
177	V	25.6	Very low	26.3	Very low	129 Å²	129	123.8 Å²	123.8	78%	0.782	78%	0.779	S	S	*	*			trans	64.6	142.9	167.6	-96.1	0	0	0	0	119.3
178	S	25.8	Very low	26.3	Very low	113 Å²	113	125.8 Å²	125.8	79%	0.79	79%	0.785	S	S	*	*			cis	-139.3	172	7.5	-67.9	0	0	0	0	113.5
179	D	22.6	Very low	26.4	Very low	148 Å²	148	125 Å²	125	79%	0.791	78%	0.783	S	S	*	*			trans	-88	159.2	-165.1	-56.1	-89.9	0	0	0	119.2
180	C	21.4	Very low	26.4	Very low	126 Å²	126	123 Å²	123	85%	0.851	78%	0.779	S	S	*	*			trans	20.3	135.3	142.9	-62.9	0	0	0	0	123.1
181	S	25.9	Very low	26.4	Very low	105 Å²	105	127.6 Å²	127.6	73%	0.734	79%	0.787	S	S	*	*				-171.5	126.6	111.5	61.1	0	0	0	0	115.9
182	T	24.5	Very low	26.4	Very low	135 Å²	135	131.2 Å²	131.2	83%	0.828	79%	0.789	S	S	*	*			trans	31.8	135	144.5	53.7	0	0	0	0	124.7
183	L	27.1	Very low	26.4	Very low	154 Å²	154	131 Å²	131	81%	0.806	79%	0.789	S	S	*	*			trans	-43.3	153.7	159.1	-71.1	157	0	0	0	115.5
184	P	29.9	Very low	26.4	Very low	127 Å²	127	133.6 Å²	133.6	83%	0.825	80%	0.797	S	S	*	*				-133.2	-174.2	87.8	39.3	-28.2	0	0	0	115
185	C	21.7	Very low	26.5	Very low	101 Å²	101	136.3 Å²	136.3	68%	0.682	80%	0.801	S	S	*	*			trans	-103.2	149.9	-160.5	-52.2	0	0	0	0	116.4
186	L	26.1	Very low	26.7	Very low	167 Å²	167	139.4 Å²	139.4	87%	0.874	81%	0.809	S	S	*	*			trans	67.1	158.5	157.7	-66	166.2	0	0	0	118
187	P	29.5	Very low	26	Very low	115 Å²	115	138 Å²	138	75%	0.747	81%	0.808	S	S	*	*			cis	-117.9	-167.5	-1.4	42.1	-29.4	0	0	0	114.2
188	L	25.5	Very low	26.1	Very low	162 Å²	162	137.1 Å²	137.1	85%	0.848	81%	0.807	S	S	*	*			trans	-59.5	158.2	172.1	-76.4	134.7	0	0	0	113.6
189	P	28.6	Very low	26	Very low	118 Å²	118	135.8 Å²	135.8	77%	0.766	81%	0.811	S	S	*	*				-131.4	151.9	120	37.5	-30.8	0	0	0	113.6
190	A	25.4	Very low	26.1	Very low	94 Å²	94	137.1 Å²	137.1	78%	0.777	81%	0.813	S	S	*	*			trans	-82.7	148.6	164.1	0	0	0	0	0	110.5
191	L	24.4	Very low	26.2	Very low	167 Å²	167	139.1 Å²	139.1	87%	0.874	81%	0.811	S	S	*	*			trans	-164.5	104.1	161.2	-112.2	167.9	0	0	0	110.5
192	F	26.3	Very low	26	Very low	183 Å²	183	144 Å²	144	80%	0.803	81%	0.814	S	S	*	*			trans	-91.9	125.4	157	-91.9	-81.1	0	0	0	108.1
193	N	27.8	Very low	26	Very low	152 Å²	152	144.4 Å²	144.4	81%	0.813	81%	0.81	S	S	*	*			trans	151.6	113.7	144.9	-79.1	-21	0	0	0	110.9
194	Q	25.7	Very low	25.8	Very low	199 Å²	199	144.3 Å²	144.3	93%	0.93	81%	0.806	S	S	*	*			trans	-142.5	112.2	152.4	-75.7	-163.5	-14.2	0	0	109.2
195	E	27.8	Very low	25.6	Very low	183 Å²	183	144.7 Å²	144.7	86%	0.855	79%	0.794	S	S	*	*			trans	-82.1	142.6	158	-61.3	-178.6	132.8	0	0	109
196	P	30.2	Very low	25.7	Very low	132 Å²	132	146.9 Å²	146.9	86%	0.857	81%	0.805	S	S	*	*			trans	-84.6	109.2	166.1	31.9	-29.5	0	0	0	110
197	A	24.8	Very low	25.6	Very low	88 Å²	88	144 Å²	144	73%	0.727	79%	0.79	S	S	*	*			trans	-93.7	141.6	-176.3	0	0	0	0	0	114.4
198	S	27.1	Very low	25.3	Very low	111 Å²	111	147.6 Å²	147.6	78%	0.776	80%	0.797	S	S	*	*			trans	73.2	127.5	154.7	76.3	0	0	0	0	120.9
199	G	23.7	Very low	25.4	Very low	84 Å²	84	147.3 Å²	147.3	87%	0.866	80%	0.795	S	S	*	*			trans	-133.9	114.7	148	0	0	0	0	0	107.5
200	Q	25.6	Very low	25.4	Very low	176 Å²	176	147.7 Å²	147.7	82%	0.822	80%	0.797	S	S	*	*			trans	-91.9	148.3	-164.1	-62.2	177	-18	0	0	114.2
201	M	21.8	Very low	25.2	Very low	168 Å²	168	151.2 Å²	151.2	83%	0.828	80%	0.8	S	S	*	*				-158.6	126.3	128.5	-117.6	-174.8	179.2	0	0	113.8
202	R	22.7	Very low	26.3	Very low	207 Å²	207	147.1 Å²	147.1	78%	0.781	78%	0.783	S	S	*	*			trans	26.8	148.8	135.4	-73.7	-179.1	171.4	172.4	-2.8	120.9
203	L	23.8	Very low	26.1	Very low	144 Å²	144	147.5 Å²	147.5	75%	0.754	79%	0.785	S	S	*	*			cis	178.8	163.9	-15.9	-137.6	67.6	0	0	0	105.5
204	E	23.8	Very low	25.8	Very low	152 Å²	152	145.7 Å²	145.7	71%	0.71	78%	0.784	S	S	*	*			cis	-120.8	163.9	-1.5	-95.9	-160.9	106	0	0	109.1
205	K	25.2	Very low	25.8	Very low	136 Å²	136	141 Å²	141	59%	0.591	77%	0.773	S	S	*	*			cis	89.8	98.8	37.5	-156	-159.6	-177.6	-156.6	0	115.6	D207	K205-D207 WeakPolarHBondContact CE-OD2 3.31Å; K205-D207 IonicContact NZ-OD2 3.42Å
206	T	24	Very low	25.6	Very low	147 Å²	147	137 Å²	137	90%	0.902	77%	0.765	S	S	*	*			trans	-144.9	127	142.2	37.1	0	0	0	0	108.7
207	D	23.8	Very low	25.2	Very low	105 Å²	105	135.9 Å²	135.9	56%	0.561	76%	0.761	S	S	*	*			trans	-96.4	140.3	-172.6	-38.4	-88.2	0	0	0	112.1	K205	K205-D207 WeakPolarHBondContact CE-OD2 3.31Å; K205-D207 IonicContact NZ-OD2 3.42Å
208	Q	24.4	Very low	25.2	Very low	191 Å²	191	139.6 Å²	139.6	89%	0.893	77%	0.767	S	S	*	*				-177.8	148	110.5	-98.7	151.5	96.5	0	0	115.4
209	I	25.8	Very low	25	Very low	156 Å²	156	139.7 Å²	139.7	80%	0.8	77%	0.768	S	S	*	*			trans	-127.7	139.1	-177	-85.5	169.8	0	0	0	105
210	P	29.2	Very low	25	Very low	127 Å²	127	141.2 Å²	141.2	83%	0.825	76%	0.764	S	S	*	*				-147.3	139.2	95.3	35.9	-16.3	0	0	0	118
211	M	22.2	Very low	25	Very low	168 Å²	168	140.3 Å²	140.3	83%	0.828	76%	0.764	S	S	*	*			trans	-78.1	-166	151.6	-67.7	-104.3	-73.5	0	0	109.6
212	P	46.3	Very low	25.1	Very low	80 Å²	80	140.2 Å²	140.2	52%	0.519	77%	0.767	S	S	.	*			cis	-130.6	-156.3	-13.4	18.7	8.5	0	0	0	112.9
213	F	21.6	Very low	25.4	Very low	191 Å²	191	137.7 Å²	137.7	84%	0.838	77%	0.768	S	S	*	*			trans	86	146.5	162.4	-52	-55.2	0	0	0	116.8
214	S	23.1	Very low	25.6	Very low	114 Å²	114	136 Å²	136	80%	0.797	77%	0.766	S	S	*	*			cis	-160.4	-170.6	-11.3	45.2	0	0	0	0	110.9
215	S	24	Very low	25.7	Very low	101 Å²	101	138.1 Å²	138.1	71%	0.706	78%	0.776	S	S	*	*			trans	-82.1	175.5	-170.2	56.2	0	0	0	0	117.3
216	S	24.3	Very low	25.7	Very low	99 Å²	99	135.2 Å²	135.2	69%	0.692	79%	0.785	S	S	*	*			trans	77.5	110.2	148.8	46	0	0	0	0	122.4
217	S	22.5	Very low	26.2	Very low	108 Å²	108	133.8 Å²	133.8	76%	0.755	78%	0.778	S	S	*	*				69.8	115.3	120	-50.7	0	0	0	0	123.6
218	L	25.2	Very low	26.4	Very low	166 Å²	166	136.3 Å²	136.3	87%	0.869	79%	0.789	S	S	*	*			trans	57.3	117.2	139.7	-63.8	168.6	0	0	0	121.2
219	S	22.7	Very low	26.3	Very low	113 Å²	113	134.8 Å²	134.8	79%	0.79	78%	0.782	S	S	*	*				167.7	151.1	104.7	51.3	0	0	0	0	116.5
220	C	23	Very low	26.2	Very low	116 Å²	116	135.5 Å²	135.5	78%	0.784	78%	0.78	S	S	*	*			trans	50.7	104.1	149.6	-63.3	0	0	0	0	124
221	L	26	Very low	25.9	Very low	158 Å²	158	134.6 Å²	134.6	83%	0.827	77%	0.772	S	S	*	*				33.5	135.3	120.6	-68	168.9	0	0	0	122
222	N	23.8	Very low	26.5	Very low	166 Å²	166	131.8 Å²	131.8	89%	0.888	77%	0.766	S	S	*	*				-160.9	157.2	129.5	-104.6	-51.5	0	0	0	112.6
223	L	28.3	Very low	25.5	Very low	153 Å²	153	134.8 Å²	134.8	80%	0.801	78%	0.783	S	S	*	*			trans	-149.6	142.9	-176.8	-110.1	172.7	0	0	0	111.2
224	P	28.4	Very low	25.8	Very low	108 Å²	108	131.9 Å²	131.9	70%	0.701	78%	0.775	S	S	*	*			trans	-118.9	125.9	153.7	23.7	-6.1	0	0	0	110.9
225	E	25.4	Very low	25.9	Very low	198 Å²	198	130.7 Å²	130.7	93%	0.925	77%	0.766	S	S	*	*				78.9	119.8	73.5	-76	-164.4	156.6	0	0	115.2
226	G	26.5	Very low	26	Very low	75 Å²	75	131.1 Å²	131.1	77%	0.773	77%	0.765	S	S	*	*			trans	136.5	144	163.5	0	0	0	0	0	115.6
227	P	32.8	Very low	26	Very low	117 Å²	117	133.4 Å²	133.4	76%	0.76	77%	0.769	S	S	*	*			trans	-130.9	136.8	-133.8	35.6	-17.8	0	0	0	119.7
228	I	27.9	Very low	26.7	Very low	157 Å²	157	132 Å²	132	81%	0.805	76%	0.757	S	S	*	*			trans	49.5	128.9	130.3	-40.9	172.6	0	0	0	121.2
229	Q	23.8	Very low	26.6	Very low	159 Å²	159	132.8 Å²	132.8	74%	0.743	76%	0.756	S	S	*	*			trans	138.9	138.8	140.6	-76	-172.4	19.6	0	0	111.7
230	F	22.5	Very low	26.7	Very low	172 Å²	172	130.5 Å²	130.5	75%	0.754	75%	0.75	S	S	*	*			cis	-151.5	145.1	-8.8	-115.2	-58.2	0	0	0	111.1
231	V	24.1	Very low	26.8	Very low	108 Å²	108	132.6 Å²	132.6	66%	0.655	75%	0.753	S	S	*	*			trans	-19.9	158	152.7	178.1	0	0	0	0	117.5
232	P	33.7	Very low	26.5	Very low	108 Å²	108	136.2 Å²	136.2	70%	0.701	76%	0.755	S	S	*	*			cis	-116.6	170.1	-3.6	18	6.5	0	0	0	113.2
233	T	26.5	Very low	26.7	Very low	143 Å²	143	136.8 Å²	136.8	88%	0.877	75%	0.753	S	S	*	*			cis	-130.1	134.7	45.9	10.5	0	0	0	0	115.1
234	I	27.5	Very low	26.4	Very low	131 Å²	131	137.3 Å²	137.3	67%	0.672	76%	0.755	S	S	*	*			trans	-86.6	133.7	177.5	-80.6	162.3	0	0	0	107.7	T236	I234-T236 HydrophobicContact CG2-CG2 4.47Å
235	S	25.1	Very low	26.1	Very low	88 Å²	88	136.3 Å²	136.3	62%	0.615	75%	0.75	S	S	*	*				71.6	158.5	53.8	-150.3	0	0	0	0	110.4
236	T	25.6	Very low	25.9	Very low	111 Å²	111	135.2 Å²	135.2	68%	0.681	75%	0.745	S	S	*	*			cis	-135.6	170.9	18.8	62.4	0	0	0	0	110.3	I234	I234-T236 HydrophobicContact CG2-CG2 4.47Å
237	L	25.5	Very low	25.8	Very low	146 Å²	146	136.6 Å²	136.6	76%	0.764	75%	0.75	S	S	*	*			cis	65.2	171.5	27.6	-69.5	171.1	0	0	0	113.2
238	P	35.7	Very low	25.3	Very low	78 Å²	78	134.3 Å²	134.3	51%	0.506	75%	0.747	S	S	.	*				-141.5	-175.5	-50.9	41.1	-26.9	0	0	0	114
239	H	24.7	Very low	25.2	Very low	183 Å²	183	133.8 Å²	133.8	85%	0.847	75%	0.751	S	S	*	*			trans	60.7	166.8	153.6	-54.3	-40.6	0	0	0	117.7
240	G	24.6	Very low	25.1	Very low	65 Å²	65	129.6 Å²	129.6	67%	0.67	75%	0.751	S	S	*	*			cis	136.8	135.5	-14.9	0	0	0	0	0	115.1
241	L	24.1	Very low	25.3	Very low	160 Å²	160	128.6 Å²	128.6	84%	0.838	76%	0.759	S	S	*	*			trans	83.9	130.1	153.9	-64.9	173.4	0	0	0	122
242	W	20.3	Very low	25.3	Very low	234 Å²	234	128.6 Å²	128.6	89%	0.886	76%	0.763	S	S	*	*			trans	102.1	149.9	144.7	-77.6	31.8	0	0	0	121.6
243	Q	27.4	Very low	24.8	Very low	179 Å²	179	128.8 Å²	128.8	84%	0.836	77%	0.767	S	S	*	*			trans	-107.8	168.1	-169.7	-55.5	164	-68.3	0	0	110.9
244	I	21.9	Very low	24.7	Very low	163 Å²	163	128.4 Å²	128.4	84%	0.836	76%	0.759	S	S	*	*				-178.5	141.6	125.3	-96.5	160.1	0	0	0	112.4
245	S	22.6	Very low	24.5	Very low	87 Å²	87	132.1 Å²	132.1	61%	0.608	77%	0.77	S	S	*	*			trans	32.1	138.4	161.2	-123.6	0	0	0	0	125.8
246	E	21.4	Very low	24.5	Very low	175 Å²	175	134.3 Å²	134.3	82%	0.818	77%	0.774	S	S	*	*			trans	73	128.1	132.9	-83.9	164	130.3	0	0	124.9
247	A	23.5	Very low	24.3	Very low	105 Å²	105	139.6 Å²	139.6	87%	0.868	78%	0.783	S	S	*	*			trans	60.3	126.1	135.2	0	0	0	0	0	121.5
248	G	22.6	Very low	24.2	Very low	68 Å²	68	140.8 Å²	140.8	70%	0.701	78%	0.784	S	S	*	*			trans	120.8	105.3	145.8	0	0	0	0	0	117.1
249	T	25.2	Very low	23.5	Very low	146 Å²	146	140.2 Å²	140.2	90%	0.896	79%	0.792	S	S	*	*			trans	30.7	101.9	138.5	56.1	0	0	0	0	120
250	G	23.5	Very low	23.4	Very low	72 Å²	72	141 Å²	141	74%	0.742	80%	0.796	S	S	*	*				87.7	154.4	111.6	0	0	0	0	0	120.9
251	V	25.4	Very low	23.7	Very low	151 Å²	151	144.1 Å²	144.1	92%	0.915	80%	0.802	S	S	*	*			trans	74.5	127.7	169.9	-164	0	0	0	0	116.5
252	S	24.3	Very low	23.9	Very low	107 Å²	107	142.6 Å²	142.6	75%	0.748	80%	0.802	S	S	*	*			trans	-79.3	154.3	-178.8	48	0	0	0	0	113.6
253	S	23.7	Very low	24.2	Very low	112 Å²	112	140.6 Å²	140.6	78%	0.783	80%	0.802	S	S	*	*			trans	-137.4	142.5	153.4	52.7	0	0	0	0	109.9
254	I	24.4	Very low	24.2	Very low	136 Å²	136	136.5 Å²	136.5	70%	0.697	80%	0.799	S	S	*	*			trans	-110.2	135.7	-174.8	-64.9	168.8	0	0	0	108.4	I256	I254-I256 HydrophobicContact CG2-CG1 4.09Å
255	F	22.3	Very low	24.5	Very low	209 Å²	209	133.2 Å²	133.2	92%	0.917	79%	0.79	S	S	*	*			trans	-130.8	142.2	155.4	-81.4	-78.7	0	0	0	110.7
256	I	25.9	Very low	24.7	Very low	134 Å²	134	137.3 Å²	137.3	69%	0.687	80%	0.8	S	S	*	*			trans	-112	145	-173.5	-62	160	0	0	0	107.5	I254	I254-I256 HydrophobicContact CG2-CG1 4.09Å
257	Y	21.5	Very low	25	Very low	222 Å²	222	135.2 Å²	135.2	87%	0.871	80%	0.799	S	S	*	*			trans	-150	151.5	150.2	-117.4	-76.9	0	0	0	114.5
258	H	22.5	Very low	26	Very low	171 Å²	171	135.6 Å²	135.6	79%	0.792	79%	0.792	S	S	*	*			trans	-69.6	166.8	163.3	-59.9	-104.1	0	0	0	110.1
259	G	21.4	Very low	27.4	Very low	66 Å²	66	137.4 Å²	137.4	68%	0.68	79%	0.792	S	S	*	*			cis	153.4	-165.3	0.1	0	0	0	0	0	111.2
260	E	23.8	Very low	28.4	Very low	199 Å²	199	135.4 Å²	135.4	93%	0.93	78%	0.781	S	S	*	*			trans	70.6	139.1	169.4	-55.3	-163.9	151.5	0	0	120.2
261	V	29.8	Very low	28.6	Very low	131 Å²	131	137.4 Å²	137.4	79%	0.794	78%	0.784	S	S	*	*			trans	-127.6	131.6	163.7	175.1	0	0	0	0	106.7
262	P	28.2	Very low	28.6	Very low	128 Å²	128	133.9 Å²	133.9	83%	0.831	78%	0.779	S	S	*	*			trans	-72.4	151.1	-178.4	-17.3	31.4	0	0	0	114
263	Q	27.7	Very low	28.7	Very low	191 Å²	191	138.2 Å²	138.2	89%	0.893	78%	0.784	S	S	*	*			trans	-100.6	156.7	178.6	-56.5	173.1	-7.2	0	0	112.6
264	A	27.4	Very low	28.7	Very low	94 Å²	94	138.4 Å²	138.4	78%	0.777	78%	0.781	S	S	*	*			trans	-173.9	153.1	131.1	0	0	0	0	0	109
265	S	26.4	Very low	28.8	Very low	93 Å²	93	137.5 Å²	137.5	65%	0.65	78%	0.782	S	S	*	*			cis	-149.1	134.8	11.5	-71.9	0	0	0	0	113.2
266	Q	27.9	Very low	29	Very low	173 Å²	173	136.5 Å²	136.5	81%	0.808	78%	0.779	S	S	*	*			trans	62.9	134.1	134.9	-56.8	169.4	23.1	0	0	121.8
267	V	28.6	Very low	28.9	Very low	131 Å²	131	133.7 Å²	133.7	79%	0.794	78%	0.784	S	S	*	*			cis	100.3	137.9	20.2	164.6	0	0	0	0	113.4
268	P	44.2	Very low	29.4	Very low	113 Å²	113	131 Å²	131	73%	0.734	78%	0.784	S	S	*	*			cis	-134.3	-125.5	-17.4	33.3	-7.6	0	0	0	115.9
269	P	51.5	Low	30.2	Very low	107 Å²	107	128 Å²	128	70%	0.695	78%	0.779	S	S	*	*				-129.3	-144.4	-99.9	45	-23.3	0	0	0	112.9
270	P	45.4	Very low	30.4	Very low	103 Å²	103	131.3 Å²	131.3	67%	0.669	79%	0.786	S	S	*	*			cis	-139.2	163	-14.1	39.4	-20	0	0	0	119.4
271	S	28.7	Very low	30.7	Very low	114 Å²	114	126.7 Å²	126.7	80%	0.797	78%	0.776	S	S	*	*			trans	58.3	136.8	139.3	65.9	0	0	0	0	124.1
272	G	24.8	Very low	31.4	Very low	78 Å²	78	125.8 Å²	125.8	80%	0.804	77%	0.773	S	S	*	*			trans	-176.4	107.6	163.4	0	0	0	0	0	115.3
273	F	25.6	Very low	31.5	Very low	197 Å²	197	126.4 Å²	126.4	86%	0.864	77%	0.769	S	S	*	*			trans	-74.4	135.3	-171.5	-87.6	-94.6	0	0	0	117.3
274	T	24.5	Very low	31.8	Very low	116 Å²	116	128.5 Å²	128.5	71%	0.712	77%	0.769	S	S	*	*			trans	31.8	141.9	136.7	57.6	0	0	0	0	125.1
275	V	27	Very low	32.6	Very low	118 Å²	118	130 Å²	130	72%	0.715	77%	0.77	S	S	*	*				102.2	143.2	129.4	148.2	0	0	0	0	122
276	H	26	Very low	32.6	Very low	187 Å²	187	128.9 Å²	128.9	87%	0.866	77%	0.774	S	S	*	*			trans	72	133.3	167.9	-73.7	-46.8	0	0	0	122
277	G	23.8	Very low	32.8	Very low	76 Å²	76	126.2 Å²	126.2	78%	0.784	78%	0.775	S	S	*	*				118.6	93.5	123.2	0	0	0	0	0	120
278	L	31.4	Very low	32.8	Very low	166 Å²	166	126.2 Å²	126.2	87%	0.869	78%	0.775	S	S	*	*			trans	-69.6	154.9	150.8	-100.1	160	0	0	0	109.6
279	P	39.8	Very low	32.1	Very low	106 Å²	106	125.9 Å²	125.9	69%	0.688	78%	0.776	S	S	*	*				-159.2	179.2	71.3	41.3	-19.4	0	0	0	120
280	T	25.3	Very low	31.6	Very low	136 Å²	136	125.3 Å²	125.3	83%	0.834	77%	0.772	S	S	*	*			trans	77.1	145.6	150.1	36.4	0	0	0	0	122.9
281	S	31.3	Very low	30.8	Very low	103 Å²	103	130 Å²	130	72%	0.72	78%	0.782	S	S	*	*			trans	-111.6	179.7	177.2	55.6	0	0	0	0	111.7
282	P	44.6	Very low	30.9	Very low	112 Å²	112	128.7 Å²	128.7	73%	0.727	78%	0.778	S	S	*	*				-152.3	156.6	91.7	38.5	-19.2	0	0	0	119
283	D	30.1	Very low	31.4	Very low	141 Å²	141	131.4 Å²	131.4	75%	0.754	78%	0.782	S	S	*	*			trans	38.1	116	142.8	-58.4	-48.6	0	0	0	126.5
284	R	32.8	Very low	31.6	Very low	234 Å²	234	128 Å²	128	88%	0.883	78%	0.782	S	S	*	*				49.7	160.3	103.9	-90.2	-176.6	174.6	-173.9	-0.7	121.9
285	P	44.6	Very low	31.7	Very low	125 Å²	125	127.1 Å²	127.1	81%	0.812	79%	0.787	S	S	*	*			cis	-148.7	176.4	36.9	43.4	-22.7	0	0	0	121.2
286	G	26	Very low	31.8	Very low	71 Å²	71	127.7 Å²	127.7	73%	0.732	79%	0.791	S	S	*	*			trans	98.6	148.8	162.9	0	0	0	0	0	116.5
287	S	32.2	Very low	31.9	Very low	117 Å²	117	126.4 Å²	126.4	82%	0.818	79%	0.79	S	S	*	*			cis	-177.4	157.8	-15.9	-130.8	0	0	0	0	109.1
288	T	29.7	Very low	32.2	Very low	131 Å²	131	130.3 Å²	130.3	80%	0.804	79%	0.792	S	S	*	*			cis	-144	-104.8	-3.8	-42.5	0	0	0	0	113
289	S	27.9	Very low	32.4	Very low	106 Å²	106	127.6 Å²	127.6	74%	0.741	79%	0.785	S	S	*	*			trans	-177.3	-174.5	-176	-150.8	0	0	0	0	107.4
290	P	41.7	Very low	31.7	Very low	95 Å²	95	127.7 Å²	127.7	62%	0.617	79%	0.788	S	S	*	*			cis	-125.1	-166.3	-6.2	20.6	8.5	0	0	0	112
291	F	28.5	Very low	31.8	Very low	200 Å²	200	129.3 Å²	129.3	88%	0.877	79%	0.788	S	S	*	*			cis	-153.7	165.1	29.9	-103.9	-74.6	0	0	0	113.2
292	A	31.4	Very low	32.3	Very low	87 Å²	87	130.1 Å²	130.1	72%	0.719	79%	0.791	S	S	*	*			trans	-149.5	154.3	161.5	0	0	0	0	0	110.7
293	P	35.5	Very low	31.5	Very low	135 Å²	135	132.6 Å²	132.6	88%	0.877	79%	0.793	S	S	*	*			trans	-92.9	156.2	170.7	35.4	-31.9	0	0	0	113
294	S	29.1	Very low	31.8	Very low	126 Å²	126	131.6 Å²	131.6	88%	0.881	79%	0.794	S	S	*	*			trans	-110	172	-172.4	55.4	0	0	0	0	114.1
295	A	27.3	Very low	31.6	Very low	98 Å²	98	124.6 Å²	124.6	81%	0.81	79%	0.786	S	S	*	*			trans	-106	144.4	-173.1	0	0	0	0	0	115.5
296	T	28	Very low	30.8	Very low	129 Å²	129	126.8 Å²	126.8	79%	0.791	79%	0.79	S	S	*	*			trans	-159.2	145.8	156.4	31.7	0	0	0	0	105.3
297	D	27.8	Very low	30.9	Very low	160 Å²	160	130.3 Å²	130.3	86%	0.856	80%	0.797	S	S	*	*			cis	-133.5	177.3	24.8	-84.4	-55.3	0	0	0	114.6
298	L	30.5	Very low	30.6	Very low	158 Å²	158	130.1 Å²	130.1	83%	0.827	80%	0.796	S	S	*	*			trans	-114.7	158.6	-178.5	-107.1	168.8	0	0	0	110.7
299	P	36.6	Very low	30.5	Very low	109 Å²	109	135.6 Å²	135.6	71%	0.708	80%	0.802	S	S	*	*				-153	166.1	89.6	39.3	-20.5	0	0	0	118.6
300	S	25.8	Very low	30.4	Very low	108 Å²	108	134.6 Å²	134.6	76%	0.755	80%	0.8	S	S	*	*			trans	64.3	105	153	51.9	0	0	0	0	120.9
301	M	26.6	Very low	29.7	Very low	171 Å²	171	137.6 Å²	137.6	84%	0.842	81%	0.811	S	S	*	*			trans	-93.7	171	147.9	-90.6	-82	146	0	0	109.9
302	P	42.5	Very low	29.6	Very low	119 Å²	119	136.8 Å²	136.8	77%	0.773	81%	0.812	S	S	*	*				-145.5	126.7	97.1	34.8	-17.6	0	0	0	116.4
303	E	26.2	Very low	29.2	Very low	165 Å²	165	139.2 Å²	139.2	77%	0.771	82%	0.818	S	S	*	*			trans	65.3	154.7	137.3	-101.3	-172.7	-123.9	0	0	120.9
304	P	37.9	Very low	28.9	Very low	120 Å²	120	140.6 Å²	140.6	78%	0.779	81%	0.813	S	S	*	*				-137.4	154.1	53.3	39.3	-21.4	0	0	0	119.4
305	A	26.8	Very low	28.7	Very low	86 Å²	86	142.1 Å²	142.1	71%	0.711	81%	0.806	S	S	*	*			trans	38.5	124.3	142.5	0	0	0	0	0	122.3
306	L	27.9	Very low	28.5	Very low	171 Å²	171	146.7 Å²	146.7	90%	0.895	81%	0.807	S	S	*	*			trans	-96.6	145.3	165.5	-74.2	166.7	0	0	0	112.8
307	T	28.3	Very low	28.3	Very low	145 Å²	145	146.7 Å²	146.7	89%	0.89	81%	0.808	S	S	*	*			trans	-178.3	145.8	142.4	20.2	0	0	0	0	108.3
308	S	26.6	Very low	28	Very low	114 Å²	114	144.3 Å²	144.3	80%	0.797	80%	0.804	S	S	*	*			cis	-151.1	170.6	-5	58.3	0	0	0	0	110.8
309	R	27.6	Very low	28.3	Very low	246 Å²	246	142.3 Å²	142.3	93%	0.928	80%	0.8	S	S	*	*			trans	-74.3	150.3	179.7	-72.8	168.4	155.6	171.4	-8.8	112.9
310	A	27	Very low	27.6	Very low	85 Å²	85	142.8 Å²	142.8	70%	0.702	80%	0.801	S	S	*	*				-169.7	136.2	117.1	0	0	0	0	0	114.3
311	N	26.6	Very low	27.5	Very low	157 Å²	157	146 Å²	146	84%	0.84	80%	0.804	S	S	*	*			trans	45.4	104.5	148.1	-57.1	1.6	0	0	0	120.9
312	M	25.5	Very low	27.3	Very low	184 Å²	184	143.6 Å²	143.6	91%	0.906	80%	0.803	S	S	*	*			trans	-79.6	150.8	145.3	-81.5	-72.6	169.5	0	0	110.5
313	T	24.1	Very low	26.4	Very low	138 Å²	138	144 Å²	144	85%	0.847	81%	0.805	S	S	*	*			trans	-138.8	128.1	158.6	39.9	0	0	0	0	108.6
314	E	28.3	Very low	26.3	Very low	163 Å²	163	140.6 Å²	140.6	76%	0.762	81%	0.806	S	S	*	*			trans	-85.7	142.7	175.6	-57.4	-178.3	143.4	0	0	110.1
315	H	24.2	Very low	26.1	Very low	158 Å²	158	140.1 Å²	140.1	73%	0.731	81%	0.811	S	S	*	*				172	151	109.9	-95	-36.2	0	0	0	115.2
316	K	24.4	Very low	25.9	Very low	194 Å²	194	138.9 Å²	138.9	84%	0.843	81%	0.807	S	S	*	*			trans	71.9	151.4	152.9	-71	165.6	-175.9	179.4	0	117.9
317	T	23.8	Very low	26	Very low	130 Å²	130	140 Å²	140	80%	0.798	81%	0.808	S	S	*	*			trans	-132.2	168.1	-164.6	40.9	0	0	0	0	110.9
318	S	20.9	Very low	25.9	Very low	110 Å²	110	138.9 Å²	138.9	77%	0.769	80%	0.8	S	S	*	*			trans	74.4	153.6	179.7	83	0	0	0	0	115.9
319	P	37.4	Very low	26	Very low	116 Å²	116	137.8 Å²	137.8	75%	0.753	79%	0.793	S	S	*	*				-135.2	126	-55.1	33.6	-18.9	0	0	0	112.2
320	T	20.8	Very low	26.3	Very low	118 Å²	118	133.4 Å²	133.4	72%	0.724	79%	0.788	S	S	*	*			trans	-146.9	126.9	179.4	0	0	0	0	0	113.8
321	Q	23.2	Very low	26.9	Very low	175 Å²	175	137.9 Å²	137.9	82%	0.818	79%	0.791	S	S	*	*			trans	55	123.7	148	-69.6	162	-2.7	0	0	119.3
322	C	23.8	Very low	28.2	Very low	122 Å²	122	133.8 Å²	133.8	82%	0.824	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-54.7	129.7	160.2	-54.7	0	0	0	0	109.7	A324	C322-A324 PolarHBondContact O-N 2.96Å
323	P	23.7	Very low	29.9	Very low	127 Å²	127	128.1 Å²	128.1	83%	0.825	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-65.3	122.7	171.4	26.9	-32.4	0	0	0	109.1
324	A	22.8	Very low	31.7	Very low	94 Å²	94	132.1 Å²	132.1	78%	0.777	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-58.2	157.2	167.7	0	0	0	0	0	110.2	C322 G326	C322-A324 PolarHBondContact O-N 2.96Å; A324-G326 PolarHBondContact O-N 3.44Å
325	A	34.6	Very low	34.1	Very low	109 Å²	109	125.8 Å²	125.8	90%	0.901	72%	0.721	S	S	*	*			trans	-52.9	95.4	-169.1	0	0	0	0	0	113.6
326	G	23.4	Very low	36.7	Very low	60 Å²	60	121 Å²	121	62%	0.619	70%	0.704	S	S	*	*			trans	-73.5	132.9	165.7	0	0	0	0	0	109.2	A324 V328	A324-G326 PolarHBondContact O-N 3.44Å; G326-V328 PolarHBondContact O-N 3Å
327	E	28.3	Very low	39.1	Very low	196 Å²	196	118.3 Å²	118.3	92%	0.916	69%	0.694	S	S	*	*			trans	-60.4	102.5	174	-65.3	-176.5	129.9	0	0	109.7	S329	E327-S329 PolarHBondContact O-N 3.22Å
328	V	26.1	Very low	41.7	Very low	120 Å²	120	113.5 Å²	113.5	73%	0.727	67%	0.665	S	S	*	*			trans	-65	111	172.7	176.8	0	0	0	0	107	G326 N330	G326-V328 PolarHBondContact O-N 3Å; V328-N330 PolarHBondContact O-N 3.15Å
329	S	29.5	Very low	44.5	Very low	91 Å²	91	108.3 Å²	108.3	64%	0.636	63%	0.629	S	S	*	*			trans	-62.9	106.2	179.2	-166.2	0	0	0	0	108.9	E327 K331	E327-S329 PolarHBondContact O-N 3.22Å; S329-K331 PolarHBondContact O-N 3.45Å
330	N	34.4	Very low	46.5	Very low	154 Å²	154	105 Å²	105	82%	0.824	60%	0.603	S	S	*	*			trans	-70.5	52.7	-178.3	-77.2	-23.2	0	0	0	112.7	V328 L332	V328-N330 PolarHBondContact O-N 3.15Å; N330-L332 PolarHBondContact O-N 3.37Å
331	K	39.3	Very low	49.4	Very low	179 Å²	179	103.8 Å²	103.8	78%	0.778	59%	0.59	S	S	*	*			trans	-87.5	95.9	164.3	-71.3	-177	178.4	176.1	0	107.5	S329	S329-K331 PolarHBondContact O-N 3.45Å
332	L	54	Low	52.1	Low	71 Å²	71	95.7 Å²	95.7	37%	0.372	55%	0.552	S	S	.	*			trans	-43.1	140.7	163.1	-80.3	152.8	0	0	0	109.6	N330 W335 E340 Y343	N330-L332 PolarHBondContact O-N 3.37Å; L332-W335 HydrophobicContact CD2-CE3 4.12Å; L332-W335 HydrophobicContact CD2-CH2 4.09Å; L332-W335 HydrophobicContact CD2-CZ3 3.56Å; L332-E340 WeakPolarHBondContact CD1-OE1 3.44Å; L332-Y343 HydrophobicContact CD2-CD1 4.25Å; L332-Y343 HydrophobicContact CD2-CE1 3.85Å
333	P	59.8	Low	54.9	Low	66 Å²	66	91.3 Å²	91.3	43%	0.429	52%	0.518	S	S	.	.			trans	-56.7	154.3	173.7	-19.5	31.4	0	0	0	110	W335	P333-W335 VanDerWaalsContact C-N 3.26Å; P333-W335 HydrophobicContact CG-CZ2 4.07Å; P333-W335 PolarHBondContact O-N 2.92Å
334	K	63.2	Low	57.6	Low	222 Å²	222	91.5 Å²	91.5	97%	0.965	50%	0.502	S	S	*	.			trans	-66.1	87.7	171.8	-71.2	-171.2	176.5	-174.1	0	110
335	W	77.8	Confident	60.4	Low	30 Å²	30	88.7 Å²	88.7	11%	0.114	48%	0.477	C	S	.	.			trans	-91.7	158.6	174.7	-70.5	-25.8	0	0	0	110.8	L332 P333 V339 Y343 D447 H487	L332-W335 HydrophobicContact CD2-CE3 4.12Å; L332-W335 HydrophobicContact CD2-CH2 4.09Å; L332-W335 HydrophobicContact CD2-CZ3 3.56Å; P333-W335 VanDerWaalsContact C-N 3.26Å; P333-W335 HydrophobicContact CG-CZ2 4.07Å; P333-W335 PolarHBondContact O-N 2.92Å; W335-V339 HydrophobicContact CB-CB 4.4Å; W335-V339 HydrophobicContact CB-CG1 4.39Å; W335-V339 HydrophobicContact CG-CG1 4.42Å; W335-Y343 AromaticContact CH2-CD2 3.79Å; W335-Y343 HydrophobicContact CH2-CD2 3.79Å; W335-Y343 AromaticContact CH2-CE2 3.92Å; W335-Y343 HydrophobicContact CH2-CE2 3.92Å; W335-Y343 HydrophobicContact CH2-CG 4.23Å; W335-Y343 AromaticContact CZ3-CD1 3.98Å; W335-Y343 HydrophobicContact CZ3-CD1 3.98Å; W335-Y343 AromaticContact CZ3-CD2 3.66Å; W335-Y343 HydrophobicContact CZ3-CD2 3.66Å; W335-Y343 HydrophobicContact CZ3-CE1 4.37Å; W335-Y343 HydrophobicContact CZ3-CE2 4.09Å; W335-Y343 AromaticContact CZ3-CG 3.61Å; W335-Y343 HydrophobicContact CZ3-CG 3.61Å; W335-D447 HydrophobicContact CH2-CB 4.47Å; W335-D447 HydrophobicContact CZ2-CB 4.09Å; W335-H487 AromaticContact CD1-CE1 3.56Å; W335-H487 AromaticContact CD1-NE2 3.99Å; W335-H487 AromaticContact NE1-CE1 3.85Å; W335-H487 AromaticContact NE1-NE2 3.79Å
336	P	79.2	Confident	62.6	Low	58 Å²	58	83.5 Å²	83.5	38%	0.377	43%	0.434	S	S	.	.			trans	-61.5	145.8	165.2	-18	31.2	0	0	0	110.6	V339 E340	P336-V339 HydrophobicContact CB-CG2 4.04Å; P336-V339 HydrophobicContact CG-CG2 3.99Å; P336-V339 WeakPolarHBondContact O-CA 3.29Å; P336-V339 WeakPolarHBondContact O-CB 3.48Å; P336-V339 PolarHBondContact O-N 3.22Å; P336-E340 PolarHBondContact O-N 3.29Å; P336-E340 VanDerWaalsContact O-N 3.13Å
337	E	76	Confident	65.4	Low	136 Å²	136	83.1 Å²	83.1	64%	0.636	42%	0.416	S	S	*	.	H	α-helix	trans	-55.9	-42	-176.1	-163.6	-177	158.6	0	0	114	V339 E340 Q341	E337-V339 PolarHBondContact O-N 3.04Å; E337-E340 PolarHBondContact O-N 2.71Å; E337-Q341 HydrophobicContact CG-CG 4.4Å; E337-Q341 WeakPolarHBondContact O-CG 3.44Å; E337-Q341 PolarHBondContact O-N 2.65Å; E337-Q341 PolarHBondContact OE1-NE2 3.38Å
338	P	77.9	Confident	67.9	Low	29 Å²	29	79.3 Å²	79.3	19%	0.188	40%	0.402	C	S	.	.	H	α-helix	trans	-61.5	-31.9	175.6	-23.4	34.8	0	0	0	113.5	F342 A480	P338-F342 VanDerWaalsContact O-CB 3.26Å; P338-F342 WeakPolarHBondContact O-CB 3.48Å; P338-F342 PolarHBondContact O-N 3.12Å; P338-A480 HydrophobicContact CB-CB 4.12Å; P338-A480 HydrophobicContact CG-CB 4.18Å
339	V	79.1	Confident	70.5	Confident	1 Å²	1	76.1 Å²	76.1	1%	0.006	38%	0.383	C	S	.	.	H	α-helix	trans	-73.3	-38.5	179.2	-177.3	0	0	0	0	110.6	W335 P336 E337 Y343 F448 V484 H487	W335-V339 HydrophobicContact CB-CB 4.4Å; W335-V339 HydrophobicContact CB-CG1 4.39Å; W335-V339 HydrophobicContact CG-CG1 4.42Å; P336-V339 HydrophobicContact CB-CG2 4.04Å; P336-V339 HydrophobicContact CG-CG2 3.99Å; P336-V339 WeakPolarHBondContact O-CA 3.29Å; P336-V339 WeakPolarHBondContact O-CB 3.48Å; P336-V339 PolarHBondContact O-N 3.22Å; E337-V339 PolarHBondContact O-N 3.04Å; V339-Y343 WeakPolarHBondContact O-CB 3.34Å; V339-Y343 PolarHBondContact O-N 3.02Å; V339-F448 HydrophobicContact CG1-CE2 4.43Å; V339-F448 HydrophobicContact CG1-CZ 3.7Å; V339-V484 HydrophobicContact CG2-CG2 4.33Å; V339-H487 HydrophobicContact CG1-CB 4.46Å; V339-H487 HydrophobicContact CG2-CB 4.2Å
340	E	80.4	Confident	73	Confident	46 Å²	46	71.9 Å²	71.9	22%	0.215	35%	0.353	C	S	.	.	H	α-helix	trans	-72	-40.3	175.1	-168.1	178.2	176.2	0	0	112.2	L332 P336 E337 F342 Y343 R344	L332-E340 WeakPolarHBondContact CD1-OE1 3.44Å; P336-E340 PolarHBondContact O-N 3.29Å; P336-E340 VanDerWaalsContact O-N 3.13Å; E337-E340 PolarHBondContact O-N 2.71Å; E340-F342 VanDerWaalsContact C-N 3.34Å; E340-F342 PolarHBondContact O-N 2.81Å; E340-Y343 PolarHBondContact O-N 3.04Å; E340-R344 WeakPolarHBondContact O-CG 3.22Å; E340-R344 PolarHBondContact O-N 3.34Å; E340-R344 IonicContact OE1-CZ 2.77Å; E340-R344 IonicContact OE1-NE 3.57Å; E340-R344 IonicContact OE1-NH2 3.87Å; E340-R344 PolarHBondContact OE1-NH2 2.97Å
341	Q	79.9	Confident	75	Confident	93 Å²	93	66.6 Å²	66.6	44%	0.435	34%	0.335	S	S	.	.	H	α-helix	trans	-60.2	-43.7	172.8	-70.3	178.9	12.4	0	0	111.3	E337 R344 S345	E337-Q341 HydrophobicContact CG-CG 4.4Å; E337-Q341 WeakPolarHBondContact O-CG 3.44Å; E337-Q341 PolarHBondContact O-N 2.65Å; E337-Q341 PolarHBondContact OE1-NE2 3.38Å; Q341-R344 PolarHBondContact O-N 3.22Å; Q341-S345 WeakPolarHBondContact O-CB 3.41Å; Q341-S345 PolarHBondContact O-N 2.91Å
342	F	80.4	Confident	76.7	Confident	5 Å²	5	62.1 Å²	62.1	2%	0.022	33%	0.331	C	S	.	.	H	α-helix	trans	-65.2	-43.2	176.3	-176.9	-115.1	0	0	0	113	P338 E340 R344 S345 L346 F448 F450 F471 P475 P477 V484	P338-F342 VanDerWaalsContact O-CB 3.26Å; P338-F342 WeakPolarHBondContact O-CB 3.48Å; P338-F342 PolarHBondContact O-N 3.12Å; E340-F342 VanDerWaalsContact C-N 3.34Å; E340-F342 PolarHBondContact O-N 2.81Å; F342-R344 PolarHBondContact O-N 3.47Å; F342-S345 PolarHBondContact O-N 2.86Å; F342-L346 HydrophobicContact CD1-CD1 3.96Å; F342-L346 HydrophobicContact CE1-CD1 3.5Å; F342-L346 VanDerWaalsContact CE1-CD1 3.5Å; F342-L346 HydrophobicContact CE1-CG 4.21Å; F342-L346 HydrophobicContact CE2-CD1 4.47Å; F342-L346 HydrophobicContact CE2-CG 4.33Å; F342-L346 HydrophobicContact CZ-CD1 3.8Å; F342-L346 HydrophobicContact CZ-CD2 4.25Å; F342-L346 HydrophobicContact CZ-CG 4.08Å; F342-L346 PolarHBondContact O-N 3.07Å; F342-F448 HydrophobicContact CD1-CD1 4.32Å; F342-F448 AromaticContact CD1-CE1 3.88Å; F342-F448 HydrophobicContact CD1-CE1 3.88Å; F342-F448 HydrophobicContact CE1-CD1 4.3Å; F342-F448 HydrophobicContact CE1-CE1 4.31Å; F342-F450 HydrophobicContact CE1-CE1 4.16Å; F342-F450 HydrophobicContact CE1-CZ 4.12Å; F342-F450 HydrophobicContact CZ-CE1 4.06Å; F342-F450 HydrophobicContact CZ-CZ 4.48Å; F342-F471 HydrophobicContact CE1-CE1 4.01Å; F342-F471 AromaticContact CZ-CD1 3.98Å; F342-F471 HydrophobicContact CZ-CD1 3.98Å; F342-F471 AromaticContact CZ-CE1 3.74Å; F342-F471 HydrophobicContact CZ-CE1 3.74Å; F342-P475 WeakPolarHBondContact CE2-O 3.48Å; F342-P477 HydrophobicContact CD2-CB 3.69Å; F342-P477 HydrophobicContact CE2-CB 4.02Å; F342-P477 HydrophobicContact CE2-CG 4.4Å; F342-P477 HydrophobicContact CG-CB 4.31Å; F342-V484 HydrophobicContact CB-CG2 4.27Å; F342-V484 HydrophobicContact CD1-CG1 3.39Å; F342-V484 HydrophobicContact CE1-CG1 3.7Å; F342-V484 HydrophobicContact CG-CG1 4.03Å; F342-V484 HydrophobicContact CG-CG2 4.48Å
343	Y	82.1	Confident	77.5	Confident	30 Å²	30	60.4 Å²	60.4	12%	0.118	32%	0.321	C	S	.	.	H	α-helix	trans	-57.3	-47.1	175.4	175.4	-93.3	0	0	0	111.9	L332 W335 V339 E340 L346 Q347 W438 D447 F448	L332-Y343 HydrophobicContact CD2-CD1 4.25Å; L332-Y343 HydrophobicContact CD2-CE1 3.85Å; W335-Y343 AromaticContact CH2-CD2 3.79Å; W335-Y343 HydrophobicContact CH2-CD2 3.79Å; W335-Y343 AromaticContact CH2-CE2 3.92Å; W335-Y343 HydrophobicContact CH2-CE2 3.92Å; W335-Y343 HydrophobicContact CH2-CG 4.23Å; W335-Y343 AromaticContact CZ3-CD1 3.98Å; W335-Y343 HydrophobicContact CZ3-CD1 3.98Å; W335-Y343 AromaticContact CZ3-CD2 3.66Å; W335-Y343 HydrophobicContact CZ3-CD2 3.66Å; W335-Y343 HydrophobicContact CZ3-CE1 4.37Å; W335-Y343 HydrophobicContact CZ3-CE2 4.09Å; W335-Y343 AromaticContact CZ3-CG 3.61Å; W335-Y343 HydrophobicContact CZ3-CG 3.61Å; V339-Y343 WeakPolarHBondContact O-CB 3.34Å; V339-Y343 PolarHBondContact O-N 3.02Å; E340-Y343 PolarHBondContact O-N 3.04Å; Y343-L346 PolarHBondContact O-N 3.38Å; Y343-Q347 HydrophobicContact CD1-CG 4.35Å; Y343-Q347 HydrophobicContact CE1-CG 4Å; Y343-Q347 WeakPolarHBondContact O-CG 3.21Å; Y343-Q347 PolarHBondContact O-N 3.38Å; Y343-W438 HydrophobicContact CD2-CH2 4.14Å; Y343-W438 AromaticContact CD2-CZ2 3.76Å; Y343-W438 HydrophobicContact CD2-CZ2 3.76Å; Y343-W438 HydrophobicContact CE2-CH2 4.12Å; Y343-W438 AromaticContact CE2-CZ2 3.46Å; Y343-W438 HydrophobicContact CE2-CZ2 3.46Å; Y343-W438 VanDerWaalsContact CE2-CZ2 3.46Å; Y343-D447 VanDerWaalsContact CD2-O 3.31Å; Y343-D447 WeakPolarHBondContact CD2-O 3.48Å; Y343-D447 WeakPolarHBondContact CE2-O 3.34Å; Y343-F448 HydrophobicContact CD2-CE1 4.37Å
344	R	81.3	Confident	77.9	Confident	131 Å²	131	61.7 Å²	61.7	49%	0.494	33%	0.33	S	S	.	.	H	α-helix	trans	-63.2	-44.3	176.9	-66.7	176.8	-169.7	-173.4	5.1	112	E340 Q341 F342 L346 Q347 D348	E340-R344 WeakPolarHBondContact O-CG 3.22Å; E340-R344 PolarHBondContact O-N 3.34Å; E340-R344 IonicContact OE1-CZ 2.77Å; E340-R344 IonicContact OE1-NE 3.57Å; E340-R344 IonicContact OE1-NH2 3.87Å; E340-R344 PolarHBondContact OE1-NH2 2.97Å; Q341-R344 PolarHBondContact O-N 3.22Å; F342-R344 PolarHBondContact O-N 3.47Å; R344-L346 VanDerWaalsContact C-N 3.29Å; R344-L346 PolarHBondContact O-N 3.47Å; R344-Q347 WeakPolarHBondContact O-CA 3.41Å; R344-Q347 WeakPolarHBondContact O-CB 3.15Å; R344-Q347 PolarHBondContact O-N 2.77Å; R344-D348 PolarHBondContact O-N 2.87Å
345	S	82.2	Confident	77.8	Confident	35 Å²	35	52.6 Å²	52.6	25%	0.245	30%	0.296	C	S	.	.	H	α-helix	trans	-56.6	-40.4	175.4	-177.7	0	0	0	0	112.9	Q341 F342 T349	Q341-S345 WeakPolarHBondContact O-CB 3.41Å; Q341-S345 PolarHBondContact O-N 2.91Å; F342-S345 PolarHBondContact O-N 2.86Å; S345-T349 WeakPolarHBondContact O-CB 3.28Å; S345-T349 PolarHBondContact O-N 2.77Å; S345-T349 PolarHBondContact O-OG1 3.38Å
346	L	79.3	Confident	77.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66.3	-41.4	172.6	-72.7	172	0	0	0	112.6	F342 Y343 R344 T349 Y350 W438 F448 P475	F342-L346 HydrophobicContact CD1-CD1 3.96Å; F342-L346 HydrophobicContact CE1-CD1 3.5Å; F342-L346 VanDerWaalsContact CE1-CD1 3.5Å; F342-L346 HydrophobicContact CE1-CG 4.21Å; F342-L346 HydrophobicContact CE2-CD1 4.47Å; F342-L346 HydrophobicContact CE2-CG 4.33Å; F342-L346 HydrophobicContact CZ-CD1 3.8Å; F342-L346 HydrophobicContact CZ-CD2 4.25Å; F342-L346 HydrophobicContact CZ-CG 4.08Å; F342-L346 PolarHBondContact O-N 3.07Å; Y343-L346 PolarHBondContact O-N 3.38Å; R344-L346 VanDerWaalsContact C-N 3.29Å; R344-L346 PolarHBondContact O-N 3.47Å; L346-T349 PolarHBondContact O-N 2.8Å; L346-Y350 HydrophobicContact CB-CE2 4.4Å; L346-Y350 HydrophobicContact CD2-CE2 4.18Å; L346-Y350 WeakPolarHBondContact O-CD2 3.22Å; L346-Y350 PolarHBondContact O-N 3.11Å; L346-Y350 VanDerWaalsContact O-N 3.09Å; L346-W438 HydrophobicContact CB-CH2 3.68Å; L346-W438 HydrophobicContact CB-CZ3 3.79Å; L346-W438 HydrophobicContact CD1-CH2 4.26Å; L346-F448 HydrophobicContact CD1-CD1 3.86Å; L346-F448 HydrophobicContact CD1-CE1 4.46Å; L346-P475 HydrophobicContact CD2-CB 4.11Å; L346-P475 HydrophobicContact CD2-CG 3.86Å
347	Q	82.4	Confident	76.2	Confident	52 Å²	52	49.6 Å²	49.6	24%	0.243	28%	0.281	C	S	.	.	H	α-helix	trans	-62.5	-47.1	175.9	-69.8	-170.4	-74	0	0	111.7	Y343 R344 T349 G351 W438 A439	Y343-Q347 HydrophobicContact CD1-CG 4.35Å; Y343-Q347 HydrophobicContact CE1-CG 4Å; Y343-Q347 WeakPolarHBondContact O-CG 3.21Å; Y343-Q347 PolarHBondContact O-N 3.38Å; R344-Q347 WeakPolarHBondContact O-CA 3.41Å; R344-Q347 WeakPolarHBondContact O-CB 3.15Å; R344-Q347 PolarHBondContact O-N 2.77Å; Q347-T349 VanDerWaalsContact C-N 3.34Å; Q347-T349 PolarHBondContact O-N 3.28Å; Q347-G351 WeakPolarHBondContact O-CA 3.28Å; Q347-G351 PolarHBondContact O-N 3.02Å; Q347-W438 HydrophobicContact CG-CH2 4.16Å; Q347-W438 HydrophobicContact CG-CZ3 4.12Å; Q347-A439 HydrophobicContact CB-CB 4.46Å; Q347-A439 PolarHBondContact NE2-O 2.87Å
348	D	82.1	Confident	75.5	Confident	117 Å²	117	46.8 Å²	46.8	63%	0.626	27%	0.27	S	S	*	.	H	α-helix	trans	-61.9	-43.2	178.8	-66.9	-32	0	0	0	110.7	R344 G351 A352	R344-D348 PolarHBondContact O-N 2.87Å; D348-G351 PolarHBondContact O-N 2.95Å; D348-A352 WeakPolarHBondContact O-CB 3.3Å; D348-A352 PolarHBondContact O-N 2.83Å
349	T	80.6	Confident	75	Confident	52 Å²	52	47.3 Å²	47.3	32%	0.319	28%	0.281	S	S	.	.	H	α-helix	trans	-61.3	-54.4	179	-56.7	0	0	0	0	112.1	S345 L346 Q347 G351 A352 P475	S345-T349 WeakPolarHBondContact O-CB 3.28Å; S345-T349 PolarHBondContact O-N 2.77Å; S345-T349 PolarHBondContact O-OG1 3.38Å; L346-T349 PolarHBondContact O-N 2.8Å; Q347-T349 VanDerWaalsContact C-N 3.34Å; Q347-T349 PolarHBondContact O-N 3.28Å; T349-G351 VanDerWaalsContact C-N 3.33Å; T349-A352 PolarHBondContact O-N 3.17Å; T349-P475 HydrophobicContact CG2-CG 3.81Å
350	Y	81	Confident	74.8	Confident	3 Å²	3	47.9 Å²	47.9	1%	0.012	28%	0.284	C	S	.	.	H	α-helix	trans	-75.3	-23.1	-179	-58	-50	0	0	0	112.9	L346 E353 W438 V449 S451	L346-Y350 HydrophobicContact CB-CE2 4.4Å; L346-Y350 HydrophobicContact CD2-CE2 4.18Å; L346-Y350 WeakPolarHBondContact O-CD2 3.22Å; L346-Y350 PolarHBondContact O-N 3.11Å; L346-Y350 VanDerWaalsContact O-N 3.09Å; Y350-E353 PolarHBondContact O-N 3Å; Y350-W438 AromaticContact CD2-CE3 3.85Å; Y350-W438 HydrophobicContact CD2-CE3 3.85Å; Y350-W438 AromaticContact CD2-CZ3 3.75Å; Y350-W438 HydrophobicContact CD2-CZ3 3.75Å; Y350-W438 HydrophobicContact CE2-CE3 4.22Å; Y350-W438 AromaticContact CE2-CZ3 4Å; Y350-W438 HydrophobicContact CE2-CZ3 4Å; Y350-V449 HydrophobicContact CE2-CB 4.43Å; Y350-V449 VanDerWaalsContact CE2-O 3.29Å; Y350-V449 WeakPolarHBondContact CE2-O 3.4Å; Y350-V449 PolarHBondContact OH-O 3.45Å; Y350-S451 PolarHBondContact OH-N 3.44Å
351	G	76.9	Confident	74.5	Confident	43 Å²	43	49.1 Å²	49.1	44%	0.443	29%	0.291	S	S	.	.	H	α-helix	trans	-69	-32.6	173.9	0	0	0	0	0	112.8	Q347 D348 T349 E353	Q347-G351 WeakPolarHBondContact O-CA 3.28Å; Q347-G351 PolarHBondContact O-N 3.02Å; D348-G351 PolarHBondContact O-N 2.95Å; T349-G351 VanDerWaalsContact C-N 3.33Å; G351-E353 VanDerWaalsContact C-N 3.31Å; G351-E353 PolarHBondContact O-N 3.43Å
352	A	75	Confident	74.4	Confident	85 Å²	85	45.6 Å²	45.6	70%	0.702	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-11.3	176.6	0	0	0	0	0	114.5	D348 T349	D348-A352 WeakPolarHBondContact O-CB 3.3Å; D348-A352 PolarHBondContact O-N 2.83Å; T349-A352 PolarHBondContact O-N 3.17Å
353	E	70.8	Confident	74.2	Confident	35 Å²	35	52.1 Å²	52.1	16%	0.164	31%	0.307	C	S	.	.	S	Bend	trans	-73.9	132.6	-175.8	-65	-168.6	132.8	0	0	112.5	Y350 G351 R436 R701	Y350-E353 PolarHBondContact O-N 3Å; G351-E353 VanDerWaalsContact C-N 3.31Å; G351-E353 PolarHBondContact O-N 3.43Å; E353-R436 VanDerWaalsContact O-CZ 3.27Å; E353-R436 PolarHBondContact O-NE 2.64Å; E353-R436 PolarHBondContact O-NH2 3.21Å; E353-R701 IonicContact OE1-CZ 3.65Å; E353-R701 VanDerWaalsContact OE1-CZ 3.22Å; E353-R701 IonicContact OE1-NE 2.99Å; E353-R701 PolarHBondContact OE1-NE 2.89Å; E353-R701 IonicContact OE1-NH2 2.8Å; E353-R701 PolarHBondContact OE1-NH2 2.91Å; E353-R701 IonicContact OE2-CZ 2.75Å; E353-R701 IonicContact OE2-NE 2.69Å; E353-R701 IonicContact OE2-NH2 2.74Å; E353-R701 PolarHBondContact OE2-NH2 2.72Å
354	P	68	Low	74	Confident	93 Å²	93	51.8 Å²	51.8	60%	0.604	31%	0.308	S	S	*	.			trans	-62.9	139.7	-175.4	26.6	-35.6	0	0	0	112.3	G356 R436	P354-G356 PolarHBondContact O-N 3.04Å; P354-R436 VanDerWaalsContact C-NH2 3.31Å; P354-R436 PolarHBondContact O-NH2 3.27Å
355	A	62.1	Low	73.9	Confident	31 Å²	31	48 Å²	48	26%	0.256	30%	0.298	S	S	.	.	S	Bend	trans	-56.1	-37.7	-161.6	0	0	0	0	0	114.1	G359 L361 R436	A355-G359 VanDerWaalsContact CB-O 3.31Å; A355-G359 WeakPolarHBondContact CB-O 3.14Å; A355-L361 HydrophobicContact CB-CB 3.9Å; A355-R436 PolarHBondContact O-NH1 2.92Å; A355-R436 VanDerWaalsContact O-NH1 3.07Å
356	G	62.3	Low	73.8	Confident	3 Å²	3	46.5 Å²	46.5	3%	0.031	29%	0.287	C	S	.	.	S	Bend	trans	-156.2	-157.2	167.1	0	0	0	0	0	109.1	P354 D358 G359 I360	P354-G356 PolarHBondContact O-N 3.04Å; G356-D358 PolarHBondContact O-N 3.27Å; G356-G359 PolarHBondContact O-N 3.28Å; G356-I360 WeakPolarHBondContact CA-O 3.45Å
357	P	59.6	Low	73.8	Confident	21 Å²	21	47 Å²	47	14%	0.136	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-56.6	135.4	168.1	26.4	-32.7	0	0	0	109.7	G359 I360 Y429 Y578	P357-G359 PolarHBondContact O-N 3.27Å; P357-I360 PolarHBondContact O-N 3.28Å; P357-Y429 HydrophobicContact CB-CE1 4.44Å; P357-Y429 HydrophobicContact CG-CE2 4.34Å; P357-Y578 HydrophobicContact CG-CE2 4.45Å
358	D	63	Low	73.5	Confident	77 Å²	77	48.4 Å²	48.4	41%	0.412	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	56.9	21.3	-179.3	-45.9	-50.9	0	0	0	114.2	G356 I360 R616	G356-D358 PolarHBondContact O-N 3.27Å; D358-I360 VanDerWaalsContact C-N 3.26Å; D358-I360 HydrophobicContact CB-CD1 4.29Å; D358-I360 PolarHBondContact O-N 3.47Å; D358-R616 VanDerWaalsContact CG-NH2 3.26Å; D358-R616 IonicContact OD1-CZ 2.74Å; D358-R616 IonicContact OD1-NE 3.88Å; D358-R616 IonicContact OD1-NH2 3.59Å; D358-R616 PolarHBondContact OD1-NH2 3.39Å; D358-R616 IonicContact OD2-CZ 2.81Å; D358-R616 VanDerWaalsContact OD2-CZ 3.27Å; D358-R616 IonicContact OD2-NE 3.36Å; D358-R616 PolarHBondContact OD2-NE 2.69Å; D358-R616 IonicContact OD2-NH2 3.73Å; D358-R616 PolarHBondContact OD2-NH2 3.49Å
359	G	66	Low	73.1	Confident	40 Å²	40	43.2 Å²	43.2	41%	0.412	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	77.9	5	-176.6	0	0	0	0	0	114.5	A355 G356 P357	A355-G359 VanDerWaalsContact CB-O 3.31Å; A355-G359 WeakPolarHBondContact CB-O 3.14Å; G356-G359 PolarHBondContact O-N 3.28Å; P357-G359 PolarHBondContact O-N 3.27Å
360	I	75.5	Confident	72.7	Confident	14 Å²	14	47.2 Å²	47.2	7%	0.072	28%	0.279	C	S	.	.			trans	-91.2	115.6	-176.8	-53	164	0	0	0	109.8	G356 P357 D358 V362 Y578 R581 Y582	G356-I360 WeakPolarHBondContact CA-O 3.45Å; P357-I360 PolarHBondContact O-N 3.28Å; D358-I360 VanDerWaalsContact C-N 3.26Å; D358-I360 HydrophobicContact CB-CD1 4.29Å; D358-I360 PolarHBondContact O-N 3.47Å; I360-V362 HydrophobicContact CG2-CG2 4.38Å; I360-Y578 HydrophobicContact CB-CE2 3.97Å; I360-Y578 HydrophobicContact CD1-CE2 4.11Å; I360-Y578 HydrophobicContact CG2-CD2 3.79Å; I360-Y578 HydrophobicContact CG2-CE2 3.76Å; I360-R581 HydrophobicContact CG2-CB 3.84Å; I360-Y582 HydrophobicContact CD1-CD2 4.09Å; I360-Y582 HydrophobicContact CD1-CG 4.47Å
361	L	75	Confident	72	Confident	71 Å²	71	48.9 Å²	48.9	37%	0.372	29%	0.288	S	S	.	.			trans	-98.4	124.2	166.6	-177	61.6	0	0	0	110.2	A355 R581	A355-L361 HydrophobicContact CB-CB 3.9Å; L361-R581 PolarHBondContact O-NH1 2.72Å
362	V	76.3	Confident	71.3	Confident	20 Å²	20	51.6 Å²	51.6	12%	0.121	29%	0.289	C	S	.	.			trans	-121.1	123.3	160.1	174.3	0	0	0	0	105.1	I360 F570 Q574 Y578	I360-V362 HydrophobicContact CG2-CG2 4.38Å; V362-F570 HydrophobicContact CB-CE1 3.67Å; V362-F570 HydrophobicContact CB-CZ 3.93Å; V362-F570 HydrophobicContact CG1-CD1 4.01Å; V362-F570 HydrophobicContact CG1-CE1 3.52Å; V362-F570 HydrophobicContact CG1-CZ 4.15Å; V362-Q574 HydrophobicContact CG1-CB 4.02Å; V362-Q574 HydrophobicContact CG1-CG 4.22Å; V362-Y578 HydrophobicContact CG2-CD2 4.05Å
363	E	76.4	Confident	70.2	Confident	142 Å²	142	59.4 Å²	59.4	66%	0.664	30%	0.3	S	S	*	.			trans	-69.5	138.4	177.7	-62.6	-170.9	154.2	0	0	109.1
364	V	78.9	Confident	68.9	Low	23 Å²	23	59.5 Å²	59.5	14%	0.139	31%	0.305	C	S	.	.			trans	-119.7	130	-179.1	-173.4	0	0	0	0	107.9	L567 F570	V364-L567 HydrophobicContact CB-CD2 4.14Å; V364-L567 HydrophobicContact CG1-CD2 3.57Å; V364-L567 HydrophobicContact CG1-CG 4.15Å; V364-F570 HydrophobicContact CG2-CD1 3.75Å; V364-F570 HydrophobicContact CG2-CE1 3.59Å
365	D	78.2	Confident	67.4	Low	52 Å²	52	61.3 Å²	61.3	28%	0.278	32%	0.32	S	S	.	.			trans	-65.2	145.6	-174.9	-44	-17.9	0	0	0	111.6	Q395 S568 Q574	D365-Q395 HydrophobicContact CB-CG 4.18Å; D365-Q395 PolarHBondContact OD2-NE2 3.1Å; D365-S568 PolarHBondContact O-N 3.24Å; D365-S568 PolarHBondContact O-OG 3.2Å; D365-S568 VanDerWaalsContact O-OG 3.08Å; D365-Q574 PolarHBondContact OD1-NE2 3.26Å
366	L	81.1	Confident	66.3	Low	2 Å²	2	63 Å²	63	1%	0.01	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.5	167.9	-68.8	95	0	0	0	108.7	Q395 G396 V401 V419 W430 F565 L567	L366-Q395 WeakPolarHBondContact O-CA 3.22Å; L366-G396 PolarHBondContact O-N 2.91Å; L366-V401 HydrophobicContact CB-CG2 4.1Å; L366-V401 HydrophobicContact CD1-CG2 4.44Å; L366-V401 HydrophobicContact CD2-CG2 4.15Å; L366-V401 HydrophobicContact CG-CG2 4.46Å; L366-V419 HydrophobicContact CD2-CB 4.37Å; L366-V419 HydrophobicContact CD2-CG1 3.61Å; L366-V419 HydrophobicContact CD2-CG2 3.8Å; L366-W430 HydrophobicContact CD1-CD2 4.45Å; L366-W430 HydrophobicContact CD1-CZ2 4Å; L366-W430 HydrophobicContact CD2-CD2 4.39Å; L366-W430 HydrophobicContact CD2-CH2 4.23Å; L366-W430 HydrophobicContact CD2-CZ2 3.88Å; L366-F565 HydrophobicContact CB-CB 4.41Å; L366-F565 HydrophobicContact CB-CD1 4.31Å; L366-F565 HydrophobicContact CD2-CB 4.22Å; L366-L567 HydrophobicContact CG-CG 4.46Å
367	V	77.7	Confident	65	Low	11 Å²	11	73 Å²	73	7%	0.067	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	126.4	178.4	168.7	0	0	0	0	107.6	A369 P386 R391 A394 F565 E566	V367-A369 PolarHBondContact O-N 3.28Å; V367-P386 HydrophobicContact CG1-CG 4.07Å; V367-R391 HydrophobicContact CG1-CB 3.81Å; V367-R391 HydrophobicContact CG1-CG 3.68Å; V367-R391 HydrophobicContact CG2-CB 3.91Å; V367-R391 HydrophobicContact CG2-CG 4.38Å; V367-A394 WeakPolarHBondContact CA-O 3.18Å; V367-F565 CarbonylContact O-C 3.47Å; V367-F565 VanDerWaalsContact O-CA 3.25Å; V367-F565 WeakPolarHBondContact O-CA 3.36Å; V367-E566 PolarHBondContact N-O 3.26Å; V367-E566 PolarHBondContact O-N 3.06Å
368	Q	77.8	Confident	64	Low	81 Å²	81	74.8 Å²	74.8	38%	0.379	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	125.1	171.4	-165.3	-173.7	50.5	0	0	110.2	A394 F565	Q368-A394 HydrophobicContact CB-CB 3.71Å; Q368-A394 PolarHBondContact N-O 2.78Å; Q368-F565 HydrophobicContact CB-CD1 4.3Å; Q368-F565 HydrophobicContact CB-CE1 4.22Å; Q368-F565 HydrophobicContact CG-CE1 4.43Å
369	A	73.8	Confident	62.8	Low	9 Å²	9	78.1 Å²	78.1	7%	0.074	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	155.4	178.3	0	0	0	0	0	110.4	V367 L564 E566	V367-A369 PolarHBondContact O-N 3.28Å; A369-L564 HydrophobicContact CB-CB 4.05Å; A369-L564 PolarHBondContact N-O 2.84Å; A369-E566 HydrophobicContact CB-CB 4.42Å
370	R	71.3	Confident	61.7	Low	135 Å²	135	81.2 Å²	81.2	51%	0.509	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	156.6	172	-63.9	179.4	-175.8	145.4	2.5	109.3	A384 E390	R370-A384 HydrophobicContact CB-CB 4.06Å; R370-A384 WeakPolarHBondContact O-CB 3.47Å; R370-A384 PolarHBondContact O-N 2.92Å; R370-E390 IonicContact CZ-OE1 2.91Å; R370-E390 IonicContact NH1-OE1 3.79Å; R370-E390 PolarHBondContact NH1-OE1 2.91Å; R370-E390 IonicContact NH1-OE2 3.3Å; R370-E390 IonicContact NH2-OE1 3.67Å
371	L	67.6	Low	60.5	Low	39 Å²	39	85.7 Å²	85.7	20%	0.204	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	130.8	174.1	-178.7	61.2	0	0	0	109.2	R373 R381 E382 V555 L564	L371-R373 PolarHBondContact O-N 3.37Å; L371-R381 HydrophobicContact CD1-CB 4.17Å; L371-E382 WeakPolarHBondContact CD1-O 3.17Å; L371-V555 HydrophobicContact CD1-CG1 3.31Å; L371-V555 HydrophobicContact CD2-CG1 4.18Å; L371-V555 HydrophobicContact CG-CG1 4.4Å; L371-L564 HydrophobicContact CB-CD1 4.27Å
372	E	60.5	Low	59.7	Low	100 Å²	100	87 Å²	87	47%	0.467	43%	0.426	S	S	.	.			trans	-69.1	130.7	177.4	-64.4	-161.5	164.9	0	0	111.6	S374 A384	E372-S374 VanDerWaalsContact C-N 3.28Å; E372-S374 PolarHBondContact O-N 2.78Å; E372-S374 VanDerWaalsContact O-N 3.15Å; E372-A384 HydrophobicContact CG-CB 3.62Å
373	R	52.1	Low	58.8	Low	248 Å²	248	87.2 Å²	87.2	94%	0.936	43%	0.427	S	S	*	.			trans	-85.1	70.9	169.9	-67.9	-175.5	177.5	-173.7	-0.4	109.3	L371 S375	L371-R373 PolarHBondContact O-N 3.37Å; R373-S375 PolarHBondContact O-N 3.24Å
374	S	44.3	Very low	58.2	Low	38 Å²	38	81.5 Å²	81.5	27%	0.266	40%	0.404	S	S	.	.			trans	-64.6	127.1	173.8	64.5	0	0	0	0	110.8	E372 S376	E372-S374 VanDerWaalsContact C-N 3.28Å; E372-S374 PolarHBondContact O-N 2.78Å; E372-S374 VanDerWaalsContact O-N 3.15Å; S374-S376 VanDerWaalsContact C-N 3.25Å
375	S	37.2	Very low	57.6	Low	130 Å²	130	81.2 Å²	81.2	91%	0.909	40%	0.402	S	S	*	.	S	Bend	trans	-68.6	-25.5	170.2	51.3	0	0	0	0	112.3	R373	R373-S375 PolarHBondContact O-N 3.24Å
376	S	37.2	Very low	56.9	Low	68 Å²	68	79.4 Å²	79.4	48%	0.476	39%	0.393	S	S	.	.	S	Bend	trans	-66.7	132.9	175.4	55.9	0	0	0	0	112.3	S374 S378	S374-S376 VanDerWaalsContact C-N 3.25Å; S376-S378 PolarHBondContact O-N 2.94Å; S376-S378 PolarHBondContact O-OG 3.19Å; S376-S378 PolarHBondContact OG-OG 3.07Å
377	K	35.8	Very low	56.2	Low	213 Å²	213	81 Å²	81	93%	0.926	40%	0.402	S	S	*	.			trans	-72.2	27.4	174.6	-64.2	173	-179.3	168.6	0	113.2
378	S	38.1	Very low	55.6	Low	57 Å²	57	83.9 Å²	83.9	40%	0.399	41%	0.411	S	S	.	.			trans	-76.1	129.1	178.3	43	0	0	0	0	111.1	S376 E380	S376-S378 PolarHBondContact O-N 2.94Å; S376-S378 PolarHBondContact O-OG 3.19Å; S376-S378 PolarHBondContact OG-OG 3.07Å; S378-E380 PolarHBondContact O-N 3.03Å
379	L	37.9	Very low	54.8	Low	147 Å²	147	80.9 Å²	80.9	77%	0.77	40%	0.401	S	S	*	.	S	Bend	trans	-64.8	-23.9	-176.1	-104.2	74.3	0	0	0	114.5	R381	L379-R381 PolarHBondContact O-N 3.16Å
380	E	43	Very low	54.4	Low	106 Å²	106	83.8 Å²	83.8	50%	0.495	41%	0.413	S	S	.	.			trans	-86.8	82.8	175.5	-65.9	177.1	140.8	0	0	109.2	S378 R746	S378-E380 PolarHBondContact O-N 3.03Å; E380-R746 IonicContact OE1-CZ 2.64Å; E380-R746 IonicContact OE1-NH1 3.36Å; E380-R746 PolarHBondContact OE1-NH1 3.2Å; E380-R746 IonicContact OE1-NH2 3.7Å; E380-R746 PolarHBondContact OE1-NH2 2.94Å; E380-R746 IonicContact OE2-NH2 3.61Å
381	R	49.7	Very low	54.3	Low	107 Å²	107	78.4 Å²	78.4	40%	0.404	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-73.9	125.3	153.8	-72.6	-177.6	178.6	161.5	-1.7	106.8	L371 L379 V555	L371-R381 HydrophobicContact CD1-CB 4.17Å; L379-R381 PolarHBondContact O-N 3.16Å; R381-V555 HydrophobicContact CB-CG1 3.77Å; R381-V555 WeakPolarHBondContact O-CG1 3.34Å
382	E	58.3	Low	53.9	Low	99 Å²	99	80.4 Å²	80.4	46%	0.463	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-98.9	167.7	170.4	-60.8	-154.3	127.3	0	0	110.3	L371 R805	L371-E382 WeakPolarHBondContact CD1-O 3.17Å; E382-R805 IonicContact OE1-NH1 3.45Å; E382-R805 PolarHBondContact OE1-NH1 2.97Å
383	L	59	Low	53.7	Low	24 Å²	24	83 Å²	83	13%	0.126	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	139.1	170.5	-69.7	177.8	0	0	0	108.8	T385 L420 P550	L383-T385 PolarHBondContact O-N 2.87Å; L383-L420 HydrophobicContact CD1-CB 4.33Å; L383-L420 HydrophobicContact CD1-CD1 3.82Å; L383-L420 HydrophobicContact CD2-CD1 3.8Å; L383-L420 HydrophobicContact CG-CD1 4.37Å; L383-P550 HydrophobicContact CD1-CB 3.7Å; L383-P550 HydrophobicContact CD1-CG 3.94Å; L383-P550 HydrophobicContact CG-CB 4.07Å
384	A	62	Low	54	Low	22 Å²	22	72 Å²	72	18%	0.182	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	131.7	164.9	0	0	0	0	0	107.4	R370 E372 P386	R370-A384 HydrophobicContact CB-CB 4.06Å; R370-A384 WeakPolarHBondContact O-CB 3.47Å; R370-A384 PolarHBondContact O-N 2.92Å; E372-A384 HydrophobicContact CG-CB 3.62Å; A384-P386 WeakPolarHBondContact O-CD 3.42Å
385	T	66.9	Low	54.9	Low	17 Å²	17	73.6 Å²	73.6	10%	0.104	38%	0.383	C	S	.	.			trans	-94.1	94.7	176.7	-65.4	0	0	0	0	107.7	L383 R840 S866 T867	L383-T385 PolarHBondContact O-N 2.87Å; T385-R840 HydrophobicContact CG2-CB 4.14Å; T385-R840 HydrophobicContact CG2-CG 4.06Å; T385-S866 WeakPolarHBondContact CB-O 3.38Å; T385-S866 WeakPolarHBondContact CG2-O 3.45Å; T385-T867 WeakPolarHBondContact CG2-O 3.18Å
386	P	63.6	Low	56	Low	15 Å²	15	67.9 Å²	67.9	10%	0.097	34%	0.344	C	S	.	.			trans	-62.5	142.2	-178.4	25.3	-35.3	0	0	0	110.6	V367 A384 E390 R391	V367-P386 HydrophobicContact CG1-CG 4.07Å; A384-P386 WeakPolarHBondContact O-CD 3.42Å; P386-E390 HydrophobicContact CB-CB 4.08Å; P386-R391 HydrophobicContact CB-CG 4.21Å; P386-R391 HydrophobicContact CG-CG 3.97Å; P386-R391 VanDerWaalsContact O-CZ 3.31Å; P386-R391 PolarHBondContact O-NE 3.49Å; P386-R391 PolarHBondContact O-NH2 3.26Å; P386-R391 VanDerWaalsContact O-NH2 3.08Å
387	D	66.7	Low	57.5	Low	34 Å²	34	66.7 Å²	66.7	18%	0.182	34%	0.342	C	S	.	.			trans	-62.2	147.4	173.5	-67.9	-16.5	0	0	0	110	A389 E390 R391 A889 D892	D387-A389 PolarHBondContact O-N 2.75Å; D387-A389 VanDerWaalsContact O-N 3.1Å; D387-E390 WeakPolarHBondContact O-CA 3.27Å; D387-E390 WeakPolarHBondContact O-CB 3.37Å; D387-E390 PolarHBondContact O-N 2.71Å; D387-R391 WeakPolarHBondContact O-CG 3.28Å; D387-R391 PolarHBondContact O-N 3.12Å; D387-R391 VanDerWaalsContact O-N 3.07Å; D387-A889 HydrophobicContact CB-CB 3.93Å; D387-A889 WeakPolarHBondContact OD1-CB 3.47Å; D387-A889 WeakPolarHBondContact OD2-CB 3.44Å; D387-D892 WeakPolarHBondContact CB-OD1 3.48Å
388	W	64.6	Low	59.2	Low	72 Å²	72	58.4 Å²	58.4	27%	0.273	31%	0.308	S	S	.	.	H	α-helix	trans	-46.3	-45.7	-175.7	172.4	-99.2	0	0	0	113	E390 R391 Q392 C870 P871 D892	W388-E390 VanDerWaalsContact C-N 3.32Å; W388-E390 PolarHBondContact O-N 3.37Å; W388-R391 WeakPolarHBondContact O-CA 3.32Å; W388-R391 VanDerWaalsContact O-CB 3.29Å; W388-R391 WeakPolarHBondContact O-CB 3.48Å; W388-R391 PolarHBondContact O-N 3.28Å; W388-Q392 HydrophobicContact CZ2-CG 4.4Å; W388-Q392 PolarHBondContact O-N 2.84Å; W388-Q392 VanDerWaalsContact O-N 3.1Å; W388-C870 HydrophobicContact CZ3-CB 4.27Å; W388-P871 VanDerWaalsContact CD2-CD 3.46Å; W388-P871 HydrophobicContact CD2-CG 3.83Å; W388-P871 HydrophobicContact CE3-CG 4.47Å; W388-P871 HydrophobicContact CG-CG 3.98Å; W388-P871 HydrophobicContact CZ2-CG 4.16Å; W388-D892 WeakPolarHBondContact CA-OD1 3.3Å; W388-D892 HydrophobicContact CB-CB 4.38Å; W388-D892 VanDerWaalsContact CB-OD1 3.27Å; W388-D892 WeakPolarHBondContact CB-OD1 3.34Å; W388-D892 VanDerWaalsContact N-CG 3.33Å; W388-D892 PolarHBondContact N-OD1 3.33Å; W388-D892 PolarHBondContact N-OD2 2.89Å
389	A	61.4	Low	60.5	Low	19 Å²	19	58 Å²	58	16%	0.157	31%	0.308	C	S	.	.	H	α-helix	trans	-78.6	-11	-177.7	0	0	0	0	0	113.8	D387 K927	D387-A389 PolarHBondContact O-N 2.75Å; D387-A389 VanDerWaalsContact O-N 3.1Å; A389-K927 PolarHBondContact O-NZ 3.18Å
390	E	66	Low	62.1	Low	69 Å²	69	56.2 Å²	56.2	32%	0.322	30%	0.296	S	S	.	.	H	α-helix	trans	-76.8	-38.9	159.2	-72.6	-156.6	120	0	0	110.5	R370 P386 D387 W388 Q392 L393 A394	R370-E390 IonicContact CZ-OE1 2.91Å; R370-E390 IonicContact NH1-OE1 3.79Å; R370-E390 PolarHBondContact NH1-OE1 2.91Å; R370-E390 IonicContact NH1-OE2 3.3Å; R370-E390 IonicContact NH2-OE1 3.67Å; P386-E390 HydrophobicContact CB-CB 4.08Å; D387-E390 WeakPolarHBondContact O-CA 3.27Å; D387-E390 WeakPolarHBondContact O-CB 3.37Å; D387-E390 PolarHBondContact O-N 2.71Å; W388-E390 VanDerWaalsContact C-N 3.32Å; W388-E390 PolarHBondContact O-N 3.37Å; E390-Q392 VanDerWaalsContact C-N 3.32Å; E390-Q392 PolarHBondContact O-N 3.44Å; E390-L393 PolarHBondContact O-N 3.25Å; E390-A394 WeakPolarHBondContact O-CB 3.42Å; E390-A394 PolarHBondContact O-N 3.11Å
391	R	67.9	Low	63.5	Low	23 Å²	23	51.2 Å²	51.2	9%	0.087	27%	0.272	C	S	.	.	H	α-helix	trans	-60.2	-40.4	-179.4	-54.4	-170.4	-177.1	165.9	-0.9	112.9	V367 P386 D387 W388 L393 A394 Q395 G868	V367-R391 HydrophobicContact CG1-CB 3.81Å; V367-R391 HydrophobicContact CG1-CG 3.68Å; V367-R391 HydrophobicContact CG2-CB 3.91Å; V367-R391 HydrophobicContact CG2-CG 4.38Å; P386-R391 HydrophobicContact CB-CG 4.21Å; P386-R391 HydrophobicContact CG-CG 3.97Å; P386-R391 VanDerWaalsContact O-CZ 3.31Å; P386-R391 PolarHBondContact O-NE 3.49Å; P386-R391 PolarHBondContact O-NH2 3.26Å; P386-R391 VanDerWaalsContact O-NH2 3.08Å; D387-R391 WeakPolarHBondContact O-CG 3.28Å; D387-R391 PolarHBondContact O-N 3.12Å; D387-R391 VanDerWaalsContact O-N 3.07Å; W388-R391 WeakPolarHBondContact O-CA 3.32Å; W388-R391 VanDerWaalsContact O-CB 3.29Å; W388-R391 WeakPolarHBondContact O-CB 3.48Å; W388-R391 PolarHBondContact O-N 3.28Å; R391-L393 PolarHBondContact O-N 2.89Å; R391-A394 CarbonylContact O-C 3.59Å; R391-A394 VanDerWaalsContact O-C 3.29Å; R391-A394 WeakPolarHBondContact O-CA 3.43Å; R391-A394 PolarHBondContact O-N 3.44Å; R391-Q395 PolarHBondContact O-N 3.36Å; R391-G868 PolarHBondContact NH1-O 2.87Å; R391-G868 VanDerWaalsContact NH2-CA 3.28Å; R391-G868 PolarHBondContact NH2-O 2.82Å
392	Q	60.8	Low	64.6	Low	81 Å²	81	46.3 Å²	46.3	38%	0.379	25%	0.254	S	S	.	.	H	α-helix	trans	-60.9	-42	177.4	-65.7	-63.9	-78.8	0	0	112.2	W388 E390 A394 Q395	W388-Q392 HydrophobicContact CZ2-CG 4.4Å; W388-Q392 PolarHBondContact O-N 2.84Å; W388-Q392 VanDerWaalsContact O-N 3.1Å; E390-Q392 VanDerWaalsContact C-N 3.32Å; E390-Q392 PolarHBondContact O-N 3.44Å; Q392-A394 PolarHBondContact O-N 2.59Å; Q392-Q395 PolarHBondContact O-N 2.78Å
393	L	56	Low	65	Low	153 Å²	153	44.8 Å²	44.8	80%	0.801	25%	0.249	S	C	*	.	H	α-helix	trans	-70.2	-11.7	174.3	-64.7	173.5	0	0	0	113.3	E390 R391	E390-L393 PolarHBondContact O-N 3.25Å; R391-L393 PolarHBondContact O-N 2.89Å
394	A	57.7	Low	65.1	Low	18 Å²	18	45.9 Å²	45.9	15%	0.149	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115	5.3	-175.4	0	0	0	0	0	113.2	V367 Q368 E390 R391 Q392 G396	V367-A394 WeakPolarHBondContact CA-O 3.18Å; Q368-A394 HydrophobicContact CB-CB 3.71Å; Q368-A394 PolarHBondContact N-O 2.78Å; E390-A394 WeakPolarHBondContact O-CB 3.42Å; E390-A394 PolarHBondContact O-N 3.11Å; R391-A394 CarbonylContact O-C 3.59Å; R391-A394 VanDerWaalsContact O-C 3.29Å; R391-A394 WeakPolarHBondContact O-CA 3.43Å; R391-A394 PolarHBondContact O-N 3.44Å; Q392-A394 PolarHBondContact O-N 2.59Å; A394-G396 PolarHBondContact O-N 3.24Å
395	Q	62.3	Low	64.7	Low	72 Å²	72	46.4 Å²	46.4	34%	0.336	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	104.7	172	-84.6	175.4	-46.7	0	0	108.8	D365 L366 R391 Q392	D365-Q395 HydrophobicContact CB-CG 4.18Å; D365-Q395 PolarHBondContact OD2-NE2 3.1Å; L366-Q395 WeakPolarHBondContact O-CA 3.22Å; R391-Q395 PolarHBondContact O-N 3.36Å; Q392-Q395 PolarHBondContact O-N 2.78Å
396	G	60.9	Low	64	Low	10 Å²	10	51.7 Å²	51.7	10%	0.103	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	130.1	-178.7	0	0	0	0	0	113	L366 A394 E400	L366-G396 PolarHBondContact O-N 2.91Å; A394-G396 PolarHBondContact O-N 3.24Å; G396-E400 WeakPolarHBondContact CA-OE2 3.32Å
397	G	68.8	Low	63.5	Low	42 Å²	42	59 Å²	59	43%	0.433	32%	0.32	S	S	.	.			trans	-65	169.5	171.1	0	0	0	0	0	112.9	A399 E400 V401	G397-A399 PolarHBondContact O-N 3.36Å; G397-A399 VanDerWaalsContact O-N 3.13Å; G397-E400 WeakPolarHBondContact O-CA 3.27Å; G397-E400 WeakPolarHBondContact O-CB 3.46Å; G397-E400 PolarHBondContact O-N 3.48Å; G397-V401 PolarHBondContact O-N 3.38Å
398	L	71.6	Confident	62.8	Low	39 Å²	39	65.4 Å²	65.4	20%	0.204	35%	0.348	C	S	.	.	H	α-helix	trans	-54.8	-36.4	-177.6	-168.6	153.4	0	0	0	113.2	L402 W430 A433 V434 A437 L443	L398-L402 HydrophobicContact CD2-CD1 4.17Å; L398-W430 HydrophobicContact CG-CZ2 4.28Å; L398-A433 HydrophobicContact CD1-CB 4.32Å; L398-V434 HydrophobicContact CD1-CB 4.48Å; L398-V434 HydrophobicContact CD1-CG2 3.88Å; L398-V434 HydrophobicContact CD2-CG1 4.47Å; L398-V434 HydrophobicContact CD2-CG2 4.24Å; L398-V434 HydrophobicContact CG-CG2 3.99Å; L398-A437 HydrophobicContact CD1-CB 4.37Å; L398-A437 HydrophobicContact CD2-CB 3.98Å; L398-L443 HydrophobicContact CD2-CD1 4.04Å; L398-L443 HydrophobicContact CD2-CD2 4.11Å; L398-L443 HydrophobicContact CD2-CG 4.49Å
399	A	65.9	Low	62.2	Low	49 Å²	49	68.9 Å²	68.9	41%	0.405	36%	0.361	S	S	.	.	H	α-helix	trans	-66.9	-41.4	172.8	0	0	0	0	0	112.2	G397 L402 L403	G397-A399 PolarHBondContact O-N 3.36Å; G397-A399 VanDerWaalsContact O-N 3.13Å; A399-L402 CarbonylContact O-C 3.26Å; A399-L402 PolarHBondContact O-N 3.32Å; A399-L402 VanDerWaalsContact O-N 3.16Å; A399-L403 HydrophobicContact CB-CD1 4.38Å; A399-L403 WeakPolarHBondContact O-CB 3.28Å; A399-L403 WeakPolarHBondContact O-CG 3.15Å; A399-L403 PolarHBondContact O-N 2.9Å
400	E	71.1	Confident	62	Low	110 Å²	110	76.8 Å²	76.8	51%	0.514	39%	0.387	S	S	.	.	H	α-helix	trans	-70.3	-39	-176.7	-69.6	174.7	-160.6	0	0	112.6	G396 G397 L402 L403 A404	G396-E400 WeakPolarHBondContact CA-OE2 3.32Å; G397-E400 WeakPolarHBondContact O-CA 3.27Å; G397-E400 WeakPolarHBondContact O-CB 3.46Å; G397-E400 PolarHBondContact O-N 3.48Å; E400-L402 PolarHBondContact O-N 2.95Å; E400-L403 CarbonylContact O-C 3.6Å; E400-L403 PolarHBondContact O-N 3.35Å; E400-A404 WeakPolarHBondContact O-CB 3.5Å; E400-A404 PolarHBondContact O-N 3.12Å
401	V	72.3	Confident	61.6	Low	0 Å²	0	79.2 Å²	79.2	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-53.4	-38.4	170.1	176	0	0	0	0	110.9	L366 G397 R415 I417 W430 F565	L366-V401 HydrophobicContact CB-CG2 4.1Å; L366-V401 HydrophobicContact CD1-CG2 4.44Å; L366-V401 HydrophobicContact CD2-CG2 4.15Å; L366-V401 HydrophobicContact CG-CG2 4.46Å; G397-V401 PolarHBondContact O-N 3.38Å; V401-R415 PolarHBondContact O-NH2 3.49Å; V401-I417 HydrophobicContact CG1-CG2 4.27Å; V401-W430 HydrophobicContact CB-CZ2 4.38Å; V401-W430 HydrophobicContact CG1-CH2 3.95Å; V401-W430 HydrophobicContact CG1-CZ2 4.28Å; V401-W430 HydrophobicContact CG2-CZ2 4.31Å; V401-F565 HydrophobicContact CB-CE2 4.47Å; V401-F565 HydrophobicContact CB-CZ 4.39Å; V401-F565 HydrophobicContact CG1-CD2 3.99Å; V401-F565 HydrophobicContact CG1-CE2 3.84Å; V401-F565 HydrophobicContact CG1-CZ 4.25Å; V401-F565 HydrophobicContact CG2-CD1 4.26Å; V401-F565 HydrophobicContact CG2-CE1 4.14Å; V401-F565 HydrophobicContact CG2-CZ 4.32Å
402	L	73.2	Confident	61.3	Low	4 Å²	4	88.1 Å²	88.1	2%	0.021	44%	0.443	C	S	.	.	H	α-helix	trans	-85.1	-16.8	177.8	-63.4	169.2	0	0	0	113.5	L398 A399 E400 R415 I417 V434 L443 Y446 L496	L398-L402 HydrophobicContact CD2-CD1 4.17Å; A399-L402 CarbonylContact O-C 3.26Å; A399-L402 PolarHBondContact O-N 3.32Å; A399-L402 VanDerWaalsContact O-N 3.16Å; E400-L402 PolarHBondContact O-N 2.95Å; L402-R415 PolarHBondContact O-NH1 3.33Å; L402-I417 HydrophobicContact CD2-CD1 4.1Å; L402-V434 HydrophobicContact CD1-CG1 4.23Å; L402-L443 HydrophobicContact CD1-CD1 3.76Å; L402-L443 HydrophobicContact CD1-CD2 3.68Å; L402-L443 HydrophobicContact CD1-CG 4.4Å; L402-Y446 HydrophobicContact CD1-CE2 4.26Å; L402-Y446 HydrophobicContact CD2-CE2 4.27Å; L402-L496 HydrophobicContact CD2-CD1 4.36Å; L402-L496 HydrophobicContact CD2-CD2 4.42Å
403	L	67.3	Low	62.1	Low	68 Å²	68	88.1 Å²	88.1	36%	0.356	44%	0.443	S	S	.	.	H	α-helix	trans	-94.5	-32.9	177.7	-70.9	167.1	0	0	0	114	A399 E400 A405 K406	A399-L403 HydrophobicContact CB-CD1 4.38Å; A399-L403 WeakPolarHBondContact O-CB 3.28Å; A399-L403 WeakPolarHBondContact O-CG 3.15Å; A399-L403 PolarHBondContact O-N 2.9Å; E400-L403 CarbonylContact O-C 3.6Å; E400-L403 PolarHBondContact O-N 3.35Å; L403-A405 PolarHBondContact O-N 3.02Å; L403-K406 HydrophobicContact CD2-CD 3.89Å; L403-K406 VanDerWaalsContact O-CB 3.26Å; L403-K406 WeakPolarHBondContact O-CB 3.46Å; L403-K406 VanDerWaalsContact O-CG 3.3Å; L403-K406 WeakPolarHBondContact O-CG 3.1Å; L403-K406 PolarHBondContact O-N 2.81Å
404	A	59.7	Low	63.1	Low	46 Å²	46	81 Å²	81	38%	0.38	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-55.1	-49.4	-165.2	0	0	0	0	0	114.1	E400 K406 F565	E400-A404 WeakPolarHBondContact O-CB 3.5Å; E400-A404 PolarHBondContact O-N 3.12Å; A404-K406 PolarHBondContact O-N 3.45Å; A404-F565 HydrophobicContact CB-CZ 4.39Å
405	A	54.1	Low	64.3	Low	33 Å²	33	81.5 Å²	81.5	27%	0.273	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-84.6	49.7	174.2	0	0	0	0	0	112.8	L403 A563	L403-A405 PolarHBondContact O-N 3.02Å; A405-A563 HydrophobicContact CB-CB 4.46Å
406	K	53.2	Low	65.3	Low	128 Å²	128	78.1 Å²	78.1	56%	0.557	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-87.2	-30.4	159.5	-86.3	179.7	169.2	179.3	0	112.3	L403 A404 H408 R409	L403-K406 HydrophobicContact CD2-CD 3.89Å; L403-K406 VanDerWaalsContact O-CB 3.26Å; L403-K406 WeakPolarHBondContact O-CB 3.46Å; L403-K406 VanDerWaalsContact O-CG 3.3Å; L403-K406 WeakPolarHBondContact O-CG 3.1Å; L403-K406 PolarHBondContact O-N 2.81Å; A404-K406 PolarHBondContact O-N 3.45Å; K406-H408 VanDerWaalsContact C-N 3.26Å; K406-H408 PolarHBondContact O-N 3.19Å; K406-H408 VanDerWaalsContact O-N 3.16Å; K406-R409 PolarHBondContact O-N 2.88Å
407	E	51.9	Low	66.6	Low	168 Å²	168	77.7 Å²	77.7	79%	0.785	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.2	-165.8	-62.5	-174.2	137.9	0	0	114.7
408	H	51.3	Low	67.4	Low	169 Å²	169	75.7 Å²	75.7	78%	0.782	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	18.8	-172.5	-65.2	83.8	0	0	0	113.7	K406 R410	K406-H408 VanDerWaalsContact C-N 3.26Å; K406-H408 PolarHBondContact O-N 3.19Å; K406-H408 VanDerWaalsContact O-N 3.16Å; H408-R410 PolarHBondContact O-N 2.7Å
409	R	52.3	Low	68.2	Low	145 Å²	145	73.8 Å²	73.8	55%	0.547	35%	0.353	S	S	.	.			trans	-71.9	110.1	-168.6	-171.7	-177.9	-167	-152.2	7.3	114	K406	K406-R409 PolarHBondContact O-N 2.88Å
410	R	58.6	Low	69.2	Low	186 Å²	186	71.5 Å²	71.5	70%	0.702	33%	0.333	S	S	*	.			trans	-73.1	142.3	156.8	-68.2	-178.9	175.5	-171.1	-0.9	110.6	H408 R412 E413	H408-R410 PolarHBondContact O-N 2.7Å; R410-R412 PolarHBondContact O-N 3.27Å; R410-E413 PolarHBondContact O-N 3.12Å
411	P	56.1	Low	69.7	Low	120 Å²	120	66.2 Å²	66.2	78%	0.779	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	136.7	179	-25.2	34.8	0	0	0	113	E413	P411-E413 VanDerWaalsContact C-N 3.27Å; P411-E413 PolarHBondContact O-N 2.93Å
412	R	62.9	Low	70	Confident	209 Å²	209	69 Å²	69	79%	0.789	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	12.8	178.6	-57	178.7	170.8	173.5	-3.9	116.9	R410 R540 G541	R410-R412 PolarHBondContact O-N 3.27Å; R412-R540 CarbonylContact O-C 3.53Å; R412-G541 PolarHBondContact O-N 3.14Å
413	E	76.2	Confident	70.4	Confident	82 Å²	82	69.5 Å²	69.5	38%	0.383	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-78.7	135	172.1	-168.8	169	168.6	0	0	111.9	R410 P411 K536 G541	R410-E413 PolarHBondContact O-N 3.12Å; P411-E413 VanDerWaalsContact C-N 3.27Å; P411-E413 PolarHBondContact O-N 2.93Å; E413-K536 HydrophobicContact CG-CD 3.86Å; E413-K536 IonicContact OE1-NZ 3.43Å; E413-K536 PolarHBondContact OE1-NZ 3.48Å; E413-G541 WeakPolarHBondContact O-CA 3.48Å
414	T	78.8	Confident	71	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.012	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-72.2	134	172.8	-64.2	0	0	0	0	110.2	K536 L539 R540 G541 C542	T414-K536 WeakPolarHBondContact O-CD 3.34Å; T414-K536 WeakPolarHBondContact O-CE 3.48Å; T414-K536 PolarHBondContact O-NZ 3.44Å; T414-L539 PolarHBondContact OG1-O 3.06Å; T414-L539 VanDerWaalsContact OG1-O 3.09Å; T414-R540 WeakPolarHBondContact OG1-CA 3.49Å; T414-G541 PolarHBondContact OG1-N 3.47Å; T414-C542 WeakPolarHBondContact CA-O 3.29Å
415	R	81.3	Confident	72.1	Confident	29 Å²	29	65.4 Å²	65.4	11%	0.109	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.7	178.5	177.5	177.4	166.9	-174.1	-3.8	110.6	V401 L402 I417 C542 L544 D562	V401-R415 PolarHBondContact O-NH2 3.49Å; L402-R415 PolarHBondContact O-NH1 3.33Å; R415-I417 HydrophobicContact CG-CG1 4.14Å; R415-C542 PolarHBondContact N-O 3.48Å; R415-L544 PolarHBondContact O-N 3.43Å; R415-D562 VanDerWaalsContact CA-OD2 3.28Å; R415-D562 WeakPolarHBondContact CA-OD2 3.4Å
416	V	84.8	Confident	73.5	Confident	2 Å²	2	64.6 Å²	64.6	1%	0.012	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.7	175.9	-177	0	0	0	0	109.7	L544 L546 A561 D562 A563	V416-L544 WeakPolarHBondContact CA-O 3.47Å; V416-L544 HydrophobicContact CG1-CD2 4.39Å; V416-L544 HydrophobicContact CG2-CB 4.44Å; V416-L544 HydrophobicContact CG2-CD2 4.24Å; V416-L546 HydrophobicContact CG1-CD1 3.8Å; V416-A561 HydrophobicContact CG1-CB 4.13Å; V416-D562 PolarHBondContact N-OD2 2.91Å; V416-D562 PolarHBondContact O-N 2.9Å; V416-A563 PolarHBondContact O-N 2.74Å
417	I	86.8	Confident	75.1	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	135.8	175.7	-48.4	170.5	0	0	0	108.1	V401 L402 R415 T543 L544 L545 L546 A563 F565	V401-I417 HydrophobicContact CG1-CG2 4.27Å; L402-I417 HydrophobicContact CD2-CD1 4.1Å; R415-I417 HydrophobicContact CG-CG1 4.14Å; I417-T543 HydrophobicContact CD1-CG2 3.69Å; I417-T543 HydrophobicContact CG1-CG2 4.29Å; I417-L544 PolarHBondContact N-O 3.14Å; I417-L545 HydrophobicContact CB-CD1 3.87Å; I417-L545 HydrophobicContact CG2-CD1 3.85Å; I417-L545 WeakPolarHBondContact O-CA 3.42Å; I417-L546 PolarHBondContact O-N 2.98Å; I417-A563 WeakPolarHBondContact CA-O 3.43Å; I417-A563 HydrophobicContact CG2-CB 4.45Å; I417-F565 HydrophobicContact CG2-CD2 3.94Å; I417-F565 HydrophobicContact CG2-CE2 3.98Å
418	A	87.1	Confident	76.6	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.8	169.7	0	0	0	0	0	112.4	L420 L546 L558 A563 L564 F565	A418-L420 HydrophobicContact CB-CD2 4.27Å; A418-L420 HydrophobicContact CB-CG 4.5Å; A418-L546 CarbonylContact C-O 3.43Å; A418-L546 WeakPolarHBondContact CA-O 3.49Å; A418-L546 HydrophobicContact CB-CB 4.25Å; A418-L546 HydrophobicContact CB-CD1 4.43Å; A418-L558 HydrophobicContact CB-CD2 3.45Å; A418-L558 VanDerWaalsContact CB-CD2 3.45Å; A418-A563 PolarHBondContact N-O 3.24Å; A418-L564 HydrophobicContact CB-CD2 3.82Å; A418-F565 PolarHBondContact O-N 3.23Å
419	V	88	Confident	78.2	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	115.9	175.2	173.8	0	0	0	0	108.9	L366 W430 L545 L546 T547 A548 F565 L567	L366-V419 HydrophobicContact CD2-CB 4.37Å; L366-V419 HydrophobicContact CD2-CG1 3.61Å; L366-V419 HydrophobicContact CD2-CG2 3.8Å; V419-W430 HydrophobicContact CB-CZ3 4.35Å; V419-W430 HydrophobicContact CG1-CE3 4.32Å; V419-W430 HydrophobicContact CG1-CZ3 4.4Å; V419-W430 HydrophobicContact CG2-CE3 4.43Å; V419-W430 HydrophobicContact CG2-CH2 3.97Å; V419-W430 HydrophobicContact CG2-CZ3 3.72Å; V419-L545 HydrophobicContact CG2-CD1 3.98Å; V419-L546 PolarHBondContact N-O 2.89Å; V419-T547 WeakPolarHBondContact O-CA 3.11Å; V419-A548 PolarHBondContact O-N 2.88Å; V419-F565 HydrophobicContact CG2-CB 4.37Å; V419-L567 HydrophobicContact CG1-CB 4.27Å; V419-L567 HydrophobicContact CG1-CD1 4.33Å
420	L	86.1	Confident	79.8	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	156.9	-166.4	-55.9	176	0	0	0	110.6	L383 A418 A548 P550 L554 L558 F565 E566 L567	L383-L420 HydrophobicContact CD1-CB 4.33Å; L383-L420 HydrophobicContact CD1-CD1 3.82Å; L383-L420 HydrophobicContact CD2-CD1 3.8Å; L383-L420 HydrophobicContact CG-CD1 4.37Å; A418-L420 HydrophobicContact CB-CD2 4.27Å; A418-L420 HydrophobicContact CB-CG 4.5Å; L420-A548 WeakPolarHBondContact CA-O 3.25Å; L420-A548 HydrophobicContact CD2-CB 3.9Å; L420-P550 HydrophobicContact CB-CG 4.42Å; L420-P550 HydrophobicContact CD1-CB 4.44Å; L420-L554 HydrophobicContact CD2-CD2 4.27Å; L420-L558 HydrophobicContact CD1-CD1 3.73Å; L420-L558 HydrophobicContact CD2-CD1 4.12Å; L420-L558 HydrophobicContact CD2-CD2 4.27Å; L420-F565 WeakPolarHBondContact CB-O 3.46Å; L420-F565 PolarHBondContact N-O 3.43Å; L420-E566 CarbonylContact O-C 3.51Å; L420-E566 WeakPolarHBondContact O-CA 3.34Å; L420-L567 PolarHBondContact O-N 3.33Å
421	G	81.2	Confident	81.1	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.			trans	165.8	164.4	172.3	0	0	0	0	0	113.2	K427 A548 R549	G421-K427 PolarHBondContact O-NZ 2.84Å; G421-A548 PolarHBondContact N-O 3.39Å; G421-R549 WeakPolarHBondContact O-CG 3.17Å
422	K	80.4	Confident	82.4	Confident	59 Å²	59	31.8 Å²	31.8	26%	0.257	15%	0.154	S	C	.	.			trans	-59.3	169.2	178.2	-65.1	-169.9	-178.9	-176.5	0	112.3	Q425 K427 T842	K422-Q425 HydrophobicContact CB-CG 4.03Å; K422-K427 PolarHBondContact O-NZ 2.85Å; K422-T842 VanDerWaalsContact NZ-CG2 3.32Å
423	A	80.6	Confident	83.4	Confident	14 Å²	14	22.5 Å²	22.5	12%	0.116	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	144.7	169.7	0	0	0	0	0	110.4	Q425 F712	A423-Q425 VanDerWaalsContact C-N 3.28Å; A423-Q425 PolarHBondContact O-N 3.28Å; A423-F712 HydrophobicContact CB-CB 4.2Å; A423-F712 HydrophobicContact CB-CD1 3.35Å; A423-F712 HydrophobicContact CB-CE1 3.92Å; A423-F712 HydrophobicContact CB-CG 3.9Å
424	G	79	Confident	83.9	Confident	18 Å²	18	18.6 Å²	18.6	19%	0.186	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	4.8	177.6	0	0	0	0	0	116.8	G426 S611 P612 T613	G424-G426 VanDerWaalsContact C-N 3.28Å; G424-G426 PolarHBondContact O-N 3.24Å; G424-S611 PolarHBondContact O-OG 3.23Å; G424-P612 WeakPolarHBondContact O-CD 3.41Å; G424-T613 VanDerWaalsContact CA-OG1 3.3Å; G424-T613 WeakPolarHBondContact CA-OG1 3.3Å; G424-T613 PolarHBondContact O-N 3.07Å; G424-T613 PolarHBondContact O-OG1 2.92Å
425	Q	84.2	Confident	84.3	Confident	10 Å²	10	18.5 Å²	18.5	5%	0.047	10%	0.103	C	C	.	.	S	Bend	trans	-76	-9.3	176.2	-65.4	-63.1	86.9	0	0	114.2	K422 A423 L567 S568 G569	K422-Q425 HydrophobicContact CB-CG 4.03Å; A423-Q425 VanDerWaalsContact C-N 3.28Å; A423-Q425 PolarHBondContact O-N 3.28Å; Q425-L567 HydrophobicContact CB-CD2 4.01Å; Q425-L567 WeakPolarHBondContact O-CD2 3.06Å; Q425-S568 PolarHBondContact NE2-O 3.01Å; Q425-S568 VanDerWaalsContact NE2-O 3.11Å; Q425-G569 VanDerWaalsContact NE2-CA 3.3Å
426	G	83	Confident	84.5	Confident	15 Å²	15	18.9 Å²	18.9	16%	0.155	10%	0.104	C	C	.	.			trans	96.6	11.5	176.7	0	0	0	0	0	116.9	G424 S428 Y429 W430	G424-G426 VanDerWaalsContact C-N 3.28Å; G424-G426 PolarHBondContact O-N 3.24Å; G426-S428 VanDerWaalsContact C-N 3.32Å; G426-S428 PolarHBondContact O-N 3.15Å; G426-S428 VanDerWaalsContact O-N 3.15Å; G426-Y429 WeakPolarHBondContact O-CB 3.08Å; G426-Y429 PolarHBondContact O-N 2.89Å; G426-W430 PolarHBondContact O-N 3.47Å
427	K	86.4	Confident	84.4	Confident	17 Å²	17	19.4 Å²	19.4	7%	0.074	11%	0.109	C	C	.	.	H	α-helix	trans	-43.6	-48.8	-179.4	-64.7	-165.8	-61.4	-81.6	0	114.7	G421 K422 W430 A431 A548	G421-K427 PolarHBondContact O-NZ 2.84Å; K422-K427 PolarHBondContact O-NZ 2.85Å; K427-W430 WeakPolarHBondContact O-CB 3.45Å; K427-W430 PolarHBondContact O-N 3.23Å; K427-A431 PolarHBondContact O-N 3.37Å; K427-A548 VanDerWaalsContact CD-O 3.29Å; K427-A548 WeakPolarHBondContact CD-O 3.44Å; K427-A548 VanDerWaalsContact CE-C 3.43Å; K427-A548 WeakPolarHBondContact CE-O 3.47Å; K427-A548 PolarHBondContact NZ-O 3.47Å
428	S	84.3	Confident	84.5	Confident	67 Å²	67	19.6 Å²	19.6	47%	0.469	11%	0.11	S	C	.	.	H	α-helix	trans	-65.6	-37.7	179.9	-51.8	0	0	0	0	113.5	G426 W430 A431 G432 D500	G426-S428 VanDerWaalsContact C-N 3.32Å; G426-S428 PolarHBondContact O-N 3.15Å; G426-S428 VanDerWaalsContact O-N 3.15Å; S428-W430 VanDerWaalsContact C-N 3.33Å; S428-A431 PolarHBondContact O-N 3Å; S428-G432 PolarHBondContact O-N 3.42Å; S428-D500 WeakPolarHBondContact CA-OD1 3.43Å; S428-D500 WeakPolarHBondContact CA-OD2 3.2Å; S428-D500 WeakPolarHBondContact CB-OD2 3.42Å; S428-D500 PolarHBondContact OG-OD1 2.98Å; S428-D500 PolarHBondContact OG-OD2 3.35Å
429	Y	84	Confident	84.4	Confident	108 Å²	108	20.1 Å²	20.1	42%	0.424	11%	0.114	S	C	.	.	H	α-helix	trans	-67.7	-35.9	173.4	-68.1	-68.9	0	0	0	111.4	P357 G426 G432 A433	P357-Y429 HydrophobicContact CB-CE1 4.44Å; P357-Y429 HydrophobicContact CG-CE2 4.34Å; G426-Y429 WeakPolarHBondContact O-CB 3.08Å; G426-Y429 PolarHBondContact O-N 2.89Å; Y429-G432 PolarHBondContact O-N 3.21Å; Y429-A433 WeakPolarHBondContact O-CB 3.22Å; Y429-A433 PolarHBondContact O-N 2.96Å
430	W	85.5	Confident	84.2	Confident	25 Å²	25	24 Å²	24	10%	0.095	14%	0.14	C	C	.	.	H	α-helix	trans	-66.5	-42.3	172.8	-174.7	87.5	0	0	0	111.9	L366 L398 V401 V419 G426 K427 S428 G432 A433 V434 L545 L567	L366-W430 HydrophobicContact CD1-CD2 4.45Å; L366-W430 HydrophobicContact CD1-CZ2 4Å; L366-W430 HydrophobicContact CD2-CD2 4.39Å; L366-W430 HydrophobicContact CD2-CH2 4.23Å; L366-W430 HydrophobicContact CD2-CZ2 3.88Å; L398-W430 HydrophobicContact CG-CZ2 4.28Å; V401-W430 HydrophobicContact CB-CZ2 4.38Å; V401-W430 HydrophobicContact CG1-CH2 3.95Å; V401-W430 HydrophobicContact CG1-CZ2 4.28Å; V401-W430 HydrophobicContact CG2-CZ2 4.31Å; V419-W430 HydrophobicContact CB-CZ3 4.35Å; V419-W430 HydrophobicContact CG1-CE3 4.32Å; V419-W430 HydrophobicContact CG1-CZ3 4.4Å; V419-W430 HydrophobicContact CG2-CE3 4.43Å; V419-W430 HydrophobicContact CG2-CH2 3.97Å; V419-W430 HydrophobicContact CG2-CZ3 3.72Å; G426-W430 PolarHBondContact O-N 3.47Å; K427-W430 WeakPolarHBondContact O-CB 3.45Å; K427-W430 PolarHBondContact O-N 3.23Å; S428-W430 VanDerWaalsContact C-N 3.33Å; W430-G432 VanDerWaalsContact C-N 3.35Å; W430-G432 PolarHBondContact O-N 3.28Å; W430-A433 WeakPolarHBondContact O-CA 3.21Å; W430-A433 WeakPolarHBondContact O-CB 3.4Å; W430-A433 PolarHBondContact O-N 3.17Å; W430-A433 VanDerWaalsContact O-N 3.08Å; W430-V434 HydrophobicContact CD2-CG2 4.29Å; W430-V434 HydrophobicContact CE3-CG2 4.07Å; W430-V434 HydrophobicContact CH2-CG2 3.76Å; W430-V434 HydrophobicContact CZ2-CG2 3.99Å; W430-V434 HydrophobicContact CZ3-CG2 3.81Å; W430-V434 WeakPolarHBondContact O-CG2 3.24Å; W430-V434 PolarHBondContact O-N 3.05Å; W430-L545 HydrophobicContact CH2-CD1 4.47Å; W430-L545 HydrophobicContact CH2-CD2 4.23Å; W430-L545 HydrophobicContact CZ3-CD1 4.26Å; W430-L545 HydrophobicContact CZ3-CD2 3.93Å; W430-L567 HydrophobicContact CB-CD1 3.83Å; W430-L567 HydrophobicContact CG-CD1 3.96Å
431	A	85.9	Confident	84	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.008	16%	0.163	C	C	.	.	H	α-helix	trans	-59.3	-43	172.7	0	0	0	0	0	112.4	K427 S428 A433 V434 S435 I498 D500 T547	K427-A431 PolarHBondContact O-N 3.37Å; S428-A431 PolarHBondContact O-N 3Å; A431-A433 VanDerWaalsContact C-N 3.34Å; A431-V434 WeakPolarHBondContact O-CB 3.42Å; A431-V434 PolarHBondContact O-N 3.05Å; A431-S435 PolarHBondContact O-N 3.09Å; A431-I498 HydrophobicContact CB-CG2 4.06Å; A431-D500 HydrophobicContact CB-CB 4.48Å; A431-T547 HydrophobicContact CB-CG2 4.02Å
432	G	84.6	Confident	84.1	Confident	10 Å²	10	34.9 Å²	34.9	10%	0.103	20%	0.196	C	C	.	.	H	α-helix	trans	-62.5	-37.4	171.3	0	0	0	0	0	113	S428 Y429 W430 V434 S435 R436	S428-G432 PolarHBondContact O-N 3.42Å; Y429-G432 PolarHBondContact O-N 3.21Å; W430-G432 VanDerWaalsContact C-N 3.35Å; W430-G432 PolarHBondContact O-N 3.28Å; G432-V434 VanDerWaalsContact C-N 3.3Å; G432-V434 PolarHBondContact O-N 3.38Å; G432-S435 WeakPolarHBondContact O-CB 3.4Å; G432-S435 PolarHBondContact O-N 3.37Å; G432-R436 PolarHBondContact O-N 3Å
433	A	84.1	Confident	84.2	Confident	13 Å²	13	32.2 Å²	32.2	11%	0.107	19%	0.185	C	C	.	.	H	α-helix	trans	-64.5	-31.2	173.8	0	0	0	0	0	112.7	L398 Y429 W430 A431 A437	L398-A433 HydrophobicContact CD1-CB 4.32Å; Y429-A433 WeakPolarHBondContact O-CB 3.22Å; Y429-A433 PolarHBondContact O-N 2.96Å; W430-A433 WeakPolarHBondContact O-CA 3.21Å; W430-A433 WeakPolarHBondContact O-CB 3.4Å; W430-A433 PolarHBondContact O-N 3.17Å; W430-A433 VanDerWaalsContact O-N 3.08Å; A431-A433 VanDerWaalsContact C-N 3.34Å; A433-A437 WeakPolarHBondContact O-CB 3.48Å; A433-A437 PolarHBondContact O-N 3.04Å
434	V	85.8	Confident	84.2	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.2	-47.7	170.5	-176.7	0	0	0	0	110.9	L398 L402 W430 A431 G432 R436 A437 W438 L443 L496 I498 L545	L398-V434 HydrophobicContact CD1-CB 4.48Å; L398-V434 HydrophobicContact CD1-CG2 3.88Å; L398-V434 HydrophobicContact CD2-CG1 4.47Å; L398-V434 HydrophobicContact CD2-CG2 4.24Å; L398-V434 HydrophobicContact CG-CG2 3.99Å; L402-V434 HydrophobicContact CD1-CG1 4.23Å; W430-V434 HydrophobicContact CD2-CG2 4.29Å; W430-V434 HydrophobicContact CE3-CG2 4.07Å; W430-V434 HydrophobicContact CH2-CG2 3.76Å; W430-V434 HydrophobicContact CZ2-CG2 3.99Å; W430-V434 HydrophobicContact CZ3-CG2 3.81Å; W430-V434 WeakPolarHBondContact O-CG2 3.24Å; W430-V434 PolarHBondContact O-N 3.05Å; A431-V434 WeakPolarHBondContact O-CB 3.42Å; A431-V434 PolarHBondContact O-N 3.05Å; G432-V434 VanDerWaalsContact C-N 3.3Å; G432-V434 PolarHBondContact O-N 3.38Å; V434-R436 PolarHBondContact O-N 3.45Å; V434-A437 PolarHBondContact O-N 3.25Å; V434-W438 PolarHBondContact O-N 3.12Å; V434-L443 HydrophobicContact CG1-CD1 3.95Å; V434-L496 HydrophobicContact CG1-CD2 3.78Å; V434-I498 HydrophobicContact CB-CD1 3.96Å; V434-I498 HydrophobicContact CG1-CD1 3.83Å; V434-L545 HydrophobicContact CG2-CD2 4.35Å
435	S	86.8	Confident	84.3	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.1	-46.1	175	-80.3	0	0	0	0	112.4	A431 G432 W438 A439 S451	A431-S435 PolarHBondContact O-N 3.09Å; G432-S435 WeakPolarHBondContact O-CB 3.4Å; G432-S435 PolarHBondContact O-N 3.37Å; S435-W438 PolarHBondContact O-N 3.27Å; S435-A439 PolarHBondContact O-N 3.39Å; S435-S451 WeakPolarHBondContact OG-CB 3.17Å
436	R	85.3	Confident	84.4	Confident	38 Å²	38	38.4 Å²	38.4	14%	0.143	22%	0.215	C	C	.	.	H	α-helix	trans	-68.1	-39.5	177.2	-166.1	-174.2	-54.6	101.9	11	112.6	E353 P354 A355 G432 V434 W438 A439 C440	E353-R436 VanDerWaalsContact O-CZ 3.27Å; E353-R436 PolarHBondContact O-NE 2.64Å; E353-R436 PolarHBondContact O-NH2 3.21Å; P354-R436 VanDerWaalsContact C-NH2 3.31Å; P354-R436 PolarHBondContact O-NH2 3.27Å; A355-R436 PolarHBondContact O-NH1 2.92Å; A355-R436 VanDerWaalsContact O-NH1 3.07Å; G432-R436 PolarHBondContact O-N 3Å; V434-R436 PolarHBondContact O-N 3.45Å; R436-W438 VanDerWaalsContact C-N 3.27Å; R436-W438 PolarHBondContact O-N 2.95Å; R436-A439 PolarHBondContact O-N 2.92Å; R436-A439 VanDerWaalsContact O-N 3.16Å; R436-C440 WeakPolarHBondContact O-CB 3.2Å; R436-C440 PolarHBondContact O-N 2.93Å; R436-C440 PolarHBondContact O-SG 2.71Å; R436-C440 VanDerWaalsContact O-SG 3.33Å
437	A	84.2	Confident	84.5	Confident	13 Å²	13	38.4 Å²	38.4	11%	0.107	21%	0.211	C	C	.	.	H	α-helix	trans	-60.3	-38.4	176.3	0	0	0	0	0	111.6	L398 A433 V434 G441 R442 L443	L398-A437 HydrophobicContact CD1-CB 4.37Å; L398-A437 HydrophobicContact CD2-CB 3.98Å; A433-A437 WeakPolarHBondContact O-CB 3.48Å; A433-A437 PolarHBondContact O-N 3.04Å; V434-A437 PolarHBondContact O-N 3.25Å; A437-G441 PolarHBondContact O-N 3.35Å; A437-R442 HydrophobicContact CB-CB 4.39Å; A437-R442 WeakPolarHBondContact O-CA 3.49Å; A437-R442 VanDerWaalsContact O-CB 3.26Å; A437-R442 WeakPolarHBondContact O-CB 3.45Å; A437-R442 PolarHBondContact O-N 3.22Å; A437-L443 HydrophobicContact CB-CD1 4.25Å; A437-L443 HydrophobicContact CB-CG 4.42Å
438	W	88.3	Confident	84.5	Confident	3 Å²	3	37.7 Å²	37.7	1%	0.011	21%	0.208	C	C	.	.	H	α-helix	trans	-65.7	-47.2	170.7	172.9	81.4	0	0	0	112.6	Y343 L346 Q347 Y350 V434 S435 R436 C440 G441 L443 Y446 V449	Y343-W438 HydrophobicContact CD2-CH2 4.14Å; Y343-W438 AromaticContact CD2-CZ2 3.76Å; Y343-W438 HydrophobicContact CD2-CZ2 3.76Å; Y343-W438 HydrophobicContact CE2-CH2 4.12Å; Y343-W438 AromaticContact CE2-CZ2 3.46Å; Y343-W438 HydrophobicContact CE2-CZ2 3.46Å; Y343-W438 VanDerWaalsContact CE2-CZ2 3.46Å; L346-W438 HydrophobicContact CB-CH2 3.68Å; L346-W438 HydrophobicContact CB-CZ3 3.79Å; L346-W438 HydrophobicContact CD1-CH2 4.26Å; Q347-W438 HydrophobicContact CG-CH2 4.16Å; Q347-W438 HydrophobicContact CG-CZ3 4.12Å; Y350-W438 AromaticContact CD2-CE3 3.85Å; Y350-W438 HydrophobicContact CD2-CE3 3.85Å; Y350-W438 AromaticContact CD2-CZ3 3.75Å; Y350-W438 HydrophobicContact CD2-CZ3 3.75Å; Y350-W438 HydrophobicContact CE2-CE3 4.22Å; Y350-W438 AromaticContact CE2-CZ3 4Å; Y350-W438 HydrophobicContact CE2-CZ3 4Å; V434-W438 PolarHBondContact O-N 3.12Å; S435-W438 PolarHBondContact O-N 3.27Å; R436-W438 VanDerWaalsContact C-N 3.27Å; R436-W438 PolarHBondContact O-N 2.95Å; W438-C440 VanDerWaalsContact C-N 3.28Å; W438-C440 PolarHBondContact O-N 3.26Å; W438-G441 WeakPolarHBondContact O-CA 3.17Å; W438-G441 PolarHBondContact O-N 3.33Å; W438-L443 HydrophobicContact CB-CB 4.21Å; W438-L443 HydrophobicContact CB-CD1 4.07Å; W438-Y446 PolarHBondContact NE1-O 3.19Å; W438-V449 HydrophobicContact CB-CG2 3.64Å; W438-V449 HydrophobicContact CD2-CB 3.96Å; W438-V449 HydrophobicContact CD2-CG2 3.56Å; W438-V449 HydrophobicContact CE3-CB 4.17Å; W438-V449 HydrophobicContact CE3-CG2 4.25Å; W438-V449 HydrophobicContact CG-CB 4.14Å; W438-V449 HydrophobicContact CG-CG2 3.26Å
439	A	85.6	Confident	84.6	Confident	12 Å²	12	34.5 Å²	34.5	10%	0.099	19%	0.186	C	C	.	.	H	α-helix	trans	-57.5	-41.4	178.1	0	0	0	0	0	112.3	Q347 S435 R436 G441	Q347-A439 HydrophobicContact CB-CB 4.46Å; Q347-A439 PolarHBondContact NE2-O 2.87Å; S435-A439 PolarHBondContact O-N 3.39Å; R436-A439 PolarHBondContact O-N 2.92Å; R436-A439 VanDerWaalsContact O-N 3.16Å; A439-G441 PolarHBondContact O-N 3.2Å; A439-G441 VanDerWaalsContact O-N 3.16Å
440	C	84.1	Confident	84.7	Confident	81 Å²	81	29.6 Å²	29.6	55%	0.547	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	12.8	172.7	-59.9	0	0	0	0	114.6	R436 W438 R442	R436-C440 WeakPolarHBondContact O-CB 3.2Å; R436-C440 PolarHBondContact O-N 2.93Å; R436-C440 PolarHBondContact O-SG 2.71Å; R436-C440 VanDerWaalsContact O-SG 3.33Å; W438-C440 VanDerWaalsContact C-N 3.28Å; W438-C440 PolarHBondContact O-N 3.26Å; C440-R442 VanDerWaalsContact C-N 3.28Å; C440-R442 HydrophobicContact CB-CG 4.43Å; C440-R442 PolarHBondContact O-N 3.44Å
441	G	82.1	Confident	84.7	Confident	47 Å²	47	28.8 Å²	28.8	49%	0.485	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	6.9	174.9	0	0	0	0	0	116	A437 W438 A439 L443	A437-G441 PolarHBondContact O-N 3.35Å; W438-G441 WeakPolarHBondContact O-CA 3.17Å; W438-G441 PolarHBondContact O-N 3.33Å; A439-G441 PolarHBondContact O-N 3.2Å; A439-G441 VanDerWaalsContact O-N 3.16Å; G441-L443 PolarHBondContact O-N 3.19Å
442	R	81.6	Confident	84.6	Confident	181 Å²	181	28.9 Å²	28.9	68%	0.683	17%	0.165	S	C	*	.			trans	-77	-6.3	-177	-54.2	-175.9	178.9	-175.4	-0.4	113.9	A437 C440 P444	A437-R442 HydrophobicContact CB-CB 4.39Å; A437-R442 WeakPolarHBondContact O-CA 3.49Å; A437-R442 VanDerWaalsContact O-CB 3.26Å; A437-R442 WeakPolarHBondContact O-CB 3.45Å; A437-R442 PolarHBondContact O-N 3.22Å; C440-R442 VanDerWaalsContact C-N 3.28Å; C440-R442 HydrophobicContact CB-CG 4.43Å; C440-R442 PolarHBondContact O-N 3.44Å; R442-P444 WeakPolarHBondContact O-CD 3.21Å
443	L	82.7	Confident	84.3	Confident	4 Å²	4	29 Å²	29	2%	0.021	16%	0.164	C	C	.	.			trans	-124.2	59.5	180	-60.7	176.7	0	0	0	112.7	L398 L402 V434 A437 W438 G441 Q445 Y446	L398-L443 HydrophobicContact CD2-CD1 4.04Å; L398-L443 HydrophobicContact CD2-CD2 4.11Å; L398-L443 HydrophobicContact CD2-CG 4.49Å; L402-L443 HydrophobicContact CD1-CD1 3.76Å; L402-L443 HydrophobicContact CD1-CD2 3.68Å; L402-L443 HydrophobicContact CD1-CG 4.4Å; V434-L443 HydrophobicContact CG1-CD1 3.95Å; A437-L443 HydrophobicContact CB-CD1 4.25Å; A437-L443 HydrophobicContact CB-CG 4.42Å; W438-L443 HydrophobicContact CB-CB 4.21Å; W438-L443 HydrophobicContact CB-CD1 4.07Å; G441-L443 PolarHBondContact O-N 3.19Å; L443-Q445 PolarHBondContact O-N 3.12Å; L443-Y446 HydrophobicContact CB-CD2 4.39Å; L443-Y446 PolarHBondContact O-N 2.9Å; L443-Y446 VanDerWaalsContact O-N 3.11Å
444	P	80.4	Confident	84	Confident	102 Å²	102	28.4 Å²	28.4	66%	0.662	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-2.3	-174.3	31.4	-38.4	0	0	0	115	R442 Y446 R494	R442-P444 WeakPolarHBondContact O-CD 3.21Å; P444-Y446 VanDerWaalsContact C-N 3.32Å; P444-R494 PolarHBondContact O-NH1 3.49Å
445	Q	82.4	Confident	83.3	Confident	55 Å²	55	30 Å²	30	26%	0.257	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-13.7	170.4	70.6	-83.9	17	0	0	113.9	L443 R494	L443-Q445 PolarHBondContact O-N 3.12Å; Q445-R494 WeakPolarHBondContact O-CD 3.49Å
446	Y	86.6	Confident	82.4	Confident	15 Å²	15	30.2 Å²	30.2	6%	0.059	17%	0.168	C	C	.	.			trans	-116.5	123.9	179.8	-61.8	-62.6	0	0	0	111.6	L402 W438 L443 P444 R494 L496 T543	L402-Y446 HydrophobicContact CD1-CE2 4.26Å; L402-Y446 HydrophobicContact CD2-CE2 4.27Å; W438-Y446 PolarHBondContact NE1-O 3.19Å; L443-Y446 HydrophobicContact CB-CD2 4.39Å; L443-Y446 PolarHBondContact O-N 2.9Å; L443-Y446 VanDerWaalsContact O-N 3.11Å; P444-Y446 VanDerWaalsContact C-N 3.32Å; Y446-R494 CarbonylContact C-O 3.49Å; Y446-R494 WeakPolarHBondContact CA-O 3.44Å; Y446-L496 HydrophobicContact CD1-CB 3.88Å; Y446-L496 HydrophobicContact CD2-CB 4.1Å; Y446-L496 HydrophobicContact CD2-CD2 4.12Å; Y446-L496 HydrophobicContact CE1-CB 4Å; Y446-L496 HydrophobicContact CE2-CB 4.22Å; Y446-L496 HydrophobicContact CE2-CD2 4.04Å; Y446-L496 HydrophobicContact CG-CB 3.93Å; Y446-T543 WeakPolarHBondContact CE1-OG1 3.46Å; Y446-T543 WeakPolarHBondContact OH-CB 3.38Å; Y446-T543 PolarHBondContact OH-OG1 3.29Å
447	D	84.8	Confident	81.7	Confident	14 Å²	14	28.6 Å²	28.6	8%	0.075	16%	0.162	C	C	.	.	S	Bend	trans	-77.5	-27.4	174.5	-60.9	15.9	0	0	0	109.8	W335 Y343 R491 R494	W335-D447 HydrophobicContact CH2-CB 4.47Å; W335-D447 HydrophobicContact CZ2-CB 4.09Å; Y343-D447 VanDerWaalsContact CD2-O 3.31Å; Y343-D447 WeakPolarHBondContact CD2-O 3.48Å; Y343-D447 WeakPolarHBondContact CE2-O 3.34Å; D447-R491 IonicContact OD2-NH1 2.69Å; D447-R494 HydrophobicContact CB-CB 3.73Å; D447-R494 HydrophobicContact CB-CG 4.47Å; D447-R494 VanDerWaalsContact CG-CB 3.45Å; D447-R494 PolarHBondContact N-O 2.81Å; D447-R494 WeakPolarHBondContact OD1-CD 3.48Å; D447-R494 WeakPolarHBondContact OD1-CG 3.46Å; D447-R494 IonicContact OD1-CZ 3.47Å; D447-R494 IonicContact OD1-NE 2.7Å; D447-R494 IonicContact OD1-NH1 3.89Å; D447-R494 PolarHBondContact OD1-NH1 3.36Å
448	F	85.6	Confident	80.6	Confident	3 Å²	3	30.6 Å²	30.6	1%	0.013	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	142.7	177.3	-64.6	-78.3	0	0	0	113.7	V339 F342 Y343 L346 F450 I488 R494 L496	V339-F448 HydrophobicContact CG1-CE2 4.43Å; V339-F448 HydrophobicContact CG1-CZ 3.7Å; F342-F448 HydrophobicContact CD1-CD1 4.32Å; F342-F448 AromaticContact CD1-CE1 3.88Å; F342-F448 HydrophobicContact CD1-CE1 3.88Å; F342-F448 HydrophobicContact CE1-CD1 4.3Å; F342-F448 HydrophobicContact CE1-CE1 4.31Å; Y343-F448 HydrophobicContact CD2-CE1 4.37Å; L346-F448 HydrophobicContact CD1-CD1 3.86Å; L346-F448 HydrophobicContact CD1-CE1 4.46Å; F448-F450 HydrophobicContact CB-CD2 4.38Å; F448-F450 HydrophobicContact CB-CE2 3.65Å; F448-F450 HydrophobicContact CB-CZ 4.24Å; F448-F450 HydrophobicContact CG-CE2 4.37Å; F448-I488 HydrophobicContact CD2-CG1 4.33Å; F448-R494 PolarHBondContact N-O 3.36Å; F448-L496 PolarHBondContact O-N 2.87Å
449	V	87	Confident	79.3	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.4	170.2	-179.8	0	0	0	0	110.4	Y350 W438 L496 I498	Y350-V449 HydrophobicContact CE2-CB 4.43Å; Y350-V449 VanDerWaalsContact CE2-O 3.29Å; Y350-V449 WeakPolarHBondContact CE2-O 3.4Å; Y350-V449 PolarHBondContact OH-O 3.45Å; W438-V449 HydrophobicContact CB-CG2 3.64Å; W438-V449 HydrophobicContact CD2-CB 3.96Å; W438-V449 HydrophobicContact CD2-CG2 3.56Å; W438-V449 HydrophobicContact CE3-CB 4.17Å; W438-V449 HydrophobicContact CE3-CG2 4.25Å; W438-V449 HydrophobicContact CG-CB 4.14Å; W438-V449 HydrophobicContact CG-CG2 3.26Å; V449-L496 WeakPolarHBondContact CA-O 3.32Å; V449-L496 HydrophobicContact CG1-CD2 4.25Å; V449-L496 HydrophobicContact CG1-CG 4.43Å; V449-L496 HydrophobicContact CG2-CB 4.16Å; V449-L496 HydrophobicContact CG2-CD2 4.11Å; V449-I498 HydrophobicContact CG1-CD1 3.92Å; V449-I498 HydrophobicContact CG1-CG1 4.34Å
450	F	86.3	Confident	77.6	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123.5	173.3	-63	-86.1	0	0	0	108.8	F342 F448 L470 F471 I488 V495 L496 L497 I498	F342-F450 HydrophobicContact CE1-CE1 4.16Å; F342-F450 HydrophobicContact CE1-CZ 4.12Å; F342-F450 HydrophobicContact CZ-CE1 4.06Å; F342-F450 HydrophobicContact CZ-CZ 4.48Å; F448-F450 HydrophobicContact CB-CD2 4.38Å; F448-F450 HydrophobicContact CB-CE2 3.65Å; F448-F450 HydrophobicContact CB-CZ 4.24Å; F448-F450 HydrophobicContact CG-CE2 4.37Å; F450-L470 HydrophobicContact CB-CD2 4.14Å; F450-L470 HydrophobicContact CD1-CB 4.16Å; F450-L470 HydrophobicContact CD1-CD2 3.99Å; F450-L470 WeakPolarHBondContact CD1-O 3.42Å; F450-L470 HydrophobicContact CD2-CD2 3.8Å; F450-L470 HydrophobicContact CE1-CB 4.06Å; F450-L470 HydrophobicContact CE1-CD2 4.38Å; F450-L470 HydrophobicContact CE2-CD2 4.2Å; F450-L470 HydrophobicContact CG-CD2 3.69Å; F450-L470 HydrophobicContact CZ-CD2 4.49Å; F450-F471 HydrophobicContact CE1-CD1 4.42Å; F450-F471 HydrophobicContact CE1-CE1 4.24Å; F450-F471 HydrophobicContact CZ-CE1 4.48Å; F450-I488 HydrophobicContact CE2-CD1 4.1Å; F450-I488 HydrophobicContact CZ-CD1 3.62Å; F450-V495 HydrophobicContact CD2-CG1 3.84Å; F450-V495 HydrophobicContact CE2-CG1 3.98Å; F450-L496 PolarHBondContact N-O 3.25Å; F450-L497 HydrophobicContact CB-CD1 3.86Å; F450-L497 CarbonylContact O-C 3.42Å; F450-L497 WeakPolarHBondContact O-CA 3.34Å; F450-I498 PolarHBondContact O-N 2.81Å
451	S	85.7	Confident	76.2	Confident	9 Å²	9	39.4 Å²	39.4	6%	0.063	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	108	-178.1	173.7	0	0	0	0	109.8	Y350 S435 R701	Y350-S451 PolarHBondContact OH-N 3.44Å; S435-S451 WeakPolarHBondContact OG-CB 3.17Å; S451-R701 PolarHBondContact O-NH1 2.94Å; S451-R701 PolarHBondContact OG-NH1 3.38Å
452	V	81.9	Confident	75	Confident	3 Å²	3	45 Å²	45	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	113.5	-169.5	-176.7	0	0	0	0	109.6	L457 L469 L473 L497 I498 L499 D500	V452-L457 HydrophobicContact CG1-CD1 4.2Å; V452-L457 HydrophobicContact CG1-CD2 4.16Å; V452-L457 HydrophobicContact CG1-CG 4.12Å; V452-L469 HydrophobicContact CG1-CD1 4.19Å; V452-L469 HydrophobicContact CG2-CD1 4.38Å; V452-L473 HydrophobicContact CG1-CB 4.19Å; V452-L473 HydrophobicContact CG1-CD1 4.08Å; V452-L497 HydrophobicContact CG2-CD1 4.23Å; V452-I498 PolarHBondContact N-O 3.29Å; V452-L499 HydrophobicContact CB-CD2 4.12Å; V452-D500 PolarHBondContact O-N 2.96Å; V452-D500 VanDerWaalsContact O-N 3.11Å
453	P	78.4	Confident	74.2	Confident	13 Å²	13	39 Å²	39	8%	0.084	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	133.8	170.6	-17.8	31.6	0	0	0	111	H455 C456	P453-H455 WeakPolarHBondContact CB-CE1 3.24Å; P453-H455 PolarHBondContact O-N 2.92Å; P453-C456 WeakPolarHBondContact O-CB 3.41Å; P453-C456 PolarHBondContact O-N 3.42Å
454	C	77.5	Confident	73.4	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-70.3	-31.1	-171.5	-69.6	0	0	0	0	113.9	C456 L457 D500 G501 L505	C454-C456 PolarHBondContact O-N 3.16Å; C454-L457 WeakPolarHBondContact O-CB 3.37Å; C454-L457 PolarHBondContact O-N 3.07Å; C454-D500 VanDerWaalsContact CB-O 3.28Å; C454-D500 WeakPolarHBondContact CB-O 3.48Å; C454-D500 PolarHBondContact N-O 3.21Å; C454-D500 PolarHBondContact SG-O 2.92Å; C454-G501 WeakPolarHBondContact CB-O 3.42Å; C454-L505 HydrophobicContact CB-CD1 4.04Å; C454-L505 HydrophobicContact CB-CD2 4.23Å; C454-L505 HydrophobicContact CB-CG 3.93Å
455	H	71.4	Confident	72.9	Confident	32 Å²	32	36.4 Å²	36.4	15%	0.148	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-55.2	-35.5	173.1	53.5	-96.1	0	0	0	113.2	P453 L457 N458 E504 T675	P453-H455 WeakPolarHBondContact CB-CE1 3.24Å; P453-H455 PolarHBondContact O-N 2.92Å; H455-L457 PolarHBondContact O-N 3.46Å; H455-N458 PolarHBondContact O-N 3.07Å; H455-E504 WeakPolarHBondContact CA-OE2 3.47Å; H455-E504 WeakPolarHBondContact CB-OE2 3.09Å; H455-E504 PolarHBondContact N-OE2 3.29Å; H455-E504 IonicContact ND1-OE2 3.72Å; H455-T675 HydrophobicContact CB-CG2 3.84Å
456	C	68.5	Low	72.5	Confident	6 Å²	6	34.1 Å²	34.1	4%	0.041	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-66.5	-20	179.3	-58.1	0	0	0	0	113.5	P453 C454 L473	P453-C456 WeakPolarHBondContact O-CB 3.41Å; P453-C456 PolarHBondContact O-N 3.42Å; C454-C456 PolarHBondContact O-N 3.16Å; C456-L473 HydrophobicContact CB-CD1 4.45Å; C456-L473 HydrophobicContact CB-CD2 3.86Å
457	L	70	Confident	71.9	Confident	3 Å²	3	36 Å²	36	2%	0.016	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-81.5	-19.8	177.9	-63	165.1	0	0	0	112.9	V452 C454 H455 R459 L469 L473 L505 L526	V452-L457 HydrophobicContact CG1-CD1 4.2Å; V452-L457 HydrophobicContact CG1-CD2 4.16Å; V452-L457 HydrophobicContact CG1-CG 4.12Å; C454-L457 WeakPolarHBondContact O-CB 3.37Å; C454-L457 PolarHBondContact O-N 3.07Å; H455-L457 PolarHBondContact O-N 3.46Å; L457-R459 PolarHBondContact O-N 3.17Å; L457-L469 HydrophobicContact CD2-CD1 3.55Å; L457-L473 HydrophobicContact CD2-CD1 3.28Å; L457-L473 HydrophobicContact CG-CD1 4Å; L457-L505 HydrophobicContact CB-CD2 4.06Å; L457-L505 HydrophobicContact CD1-CD1 3.99Å; L457-L505 HydrophobicContact CD1-CD2 4.47Å; L457-L526 HydrophobicContact CB-CD1 4.16Å; L457-L526 HydrophobicContact CB-CD2 3.8Å; L457-L526 HydrophobicContact CD1-CD1 4.41Å; L457-L526 HydrophobicContact CD2-CD1 3.83Å; L457-L526 HydrophobicContact CG-CD1 4.37Å; L457-L526 WeakPolarHBondContact O-CD2 3.47Å
458	N	61.6	Low	71.3	Confident	56 Å²	56	38.5 Å²	38.5	30%	0.299	22%	0.221	S	C	.	.			trans	-76.9	20.4	-176.5	-90.1	-37.3	0	0	0	114.1	H455 E504 Q508	H455-N458 PolarHBondContact O-N 3.07Å; N458-E504 PolarHBondContact ND2-O 3.2Å; N458-Q508 PolarHBondContact OD1-NE2 2.9Å
459	R	60.6	Low	70.7	Confident	101 Å²	101	38.5 Å²	38.5	38%	0.381	22%	0.221	S	C	.	.			trans	-79.1	138.3	179.7	-69.8	179.7	175.9	161	2.8	111.3	L457 G461 Y464 E706	L457-R459 PolarHBondContact O-N 3.17Å; R459-G461 PolarHBondContact O-N 2.86Å; R459-Y464 PolarHBondContact O-OH 2.8Å; R459-E706 IonicContact CZ-OE1 2.62Å; R459-E706 IonicContact CZ-OE2 3.41Å; R459-E706 IonicContact NE-OE1 3.46Å; R459-E706 PolarHBondContact NE-OE1 3.33Å; R459-E706 IonicContact NH2-OE1 3.5Å; R459-E706 PolarHBondContact NH2-OE1 3.34Å; R459-E706 IonicContact NH2-OE2 2.85Å; R459-E706 PolarHBondContact NH2-OE2 3.27Å
460	P	50.1	Low	70	Confident	141 Å²	141	38.6 Å²	38.6	92%	0.916	22%	0.221	S	C	*	.	S	Bend	trans	-74	99	-178.9	29.6	-34.1	0	0	0	111.6
461	G	55.3	Low	69.3	Low	38 Å²	38	38.9 Å²	38.9	39%	0.392	22%	0.223	S	C	.	.			trans	-159	124	170.2	0	0	0	0	0	108.9	R459 A463 Y464	R459-G461 PolarHBondContact O-N 2.86Å; G461-A463 VanDerWaalsContact C-N 3.27Å; G461-A463 PolarHBondContact O-N 3.34Å; G461-Y464 VanDerWaalsContact O-CE2 3.27Å; G461-Y464 WeakPolarHBondContact O-CE2 3.5Å
462	D	56.4	Low	68	Low	164 Å²	164	41.4 Å²	41.4	88%	0.877	24%	0.24	S	C	*	.	S	Bend	trans	-76.3	-6.3	-160	-69.6	-52.7	0	0	0	115.7
463	A	64.7	Low	66.7	Low	56 Å²	56	42.8 Å²	42.8	46%	0.463	25%	0.247	S	C	.	.			trans	-146.7	138.9	177	0	0	0	0	0	113.4	G461 P523 C524	G461-A463 VanDerWaalsContact C-N 3.27Å; G461-A463 PolarHBondContact O-N 3.34Å; A463-P523 HydrophobicContact CB-CB 4.01Å; A463-C524 CarbonylContact C-O 3.59Å; A463-C524 WeakPolarHBondContact CA-O 3.4Å
464	Y	66.3	Low	65.6	Low	43 Å²	43	43.3 Å²	43.3	17%	0.169	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-131.2	135.5	175.5	-65.7	-94	0	0	0	109	R459 G461 D468 C524 L526	R459-Y464 PolarHBondContact O-OH 2.8Å; G461-Y464 VanDerWaalsContact O-CE2 3.27Å; G461-Y464 WeakPolarHBondContact O-CE2 3.5Å; Y464-D468 HydrophobicContact CD1-CB 4.41Å; Y464-C524 PolarHBondContact N-O 3.37Å; Y464-C524 PolarHBondContact O-N 3.06Å; Y464-C524 VanDerWaalsContact O-O 3.06Å; Y464-L526 HydrophobicContact CD2-CB 4.11Å; Y464-L526 HydrophobicContact CE2-CB 4.35Å
465	G	70.8	Confident	64.5	Low	9 Å²	9	44.6 Å²	44.6	9%	0.093	26%	0.264	C	S	.	.			trans	-83.6	166.3	164.8	0	0	0	0	0	112	Q467 D468 L469 L529	G465-Q467 PolarHBondContact O-N 2.95Å; G465-D468 WeakPolarHBondContact CA-OD2 3.41Å; G465-D468 PolarHBondContact N-OD2 3.31Å; G465-D468 PolarHBondContact O-N 3.4Å; G465-L469 PolarHBondContact O-N 2.92Å; G465-L529 WeakPolarHBondContact O-CD1 3.5Å
466	L	73.2	Confident	64	Low	6 Å²	6	49.6 Å²	49.6	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-61.6	-33.1	170.4	175.6	63.9	0	0	0	111.7	D468 L469 L470 F485 L489 P520 L538 L539	L466-D468 VanDerWaalsContact C-N 3.33Å; L466-L469 PolarHBondContact O-N 3.04Å; L466-L470 HydrophobicContact CG-CD1 4.43Å; L466-L470 WeakPolarHBondContact O-CG 3.4Å; L466-L470 PolarHBondContact O-N 3.02Å; L466-F485 HydrophobicContact CB-CE2 4.38Å; L466-F485 HydrophobicContact CB-CZ 4.13Å; L466-F485 HydrophobicContact CD2-CE2 4.11Å; L466-F485 HydrophobicContact CD2-CZ 4.05Å; L466-F485 HydrophobicContact CG-CE2 3.97Å; L466-F485 HydrophobicContact CG-CZ 4.12Å; L466-L489 HydrophobicContact CD2-CD2 4.18Å; L466-P520 HydrophobicContact CD2-CB 4.3Å; L466-L538 HydrophobicContact CB-CD2 4.41Å; L466-L538 HydrophobicContact CD1-CD2 3.91Å; L466-L538 HydrophobicContact CD1-CG 4.19Å; L466-L538 HydrophobicContact CD2-CD1 3.94Å; L466-L538 HydrophobicContact CD2-CD2 4.49Å; L466-L538 HydrophobicContact CD2-CG 4.05Å; L466-L538 HydrophobicContact CG-CD2 4.49Å; L466-L539 HydrophobicContact CD1-CD1 3.99Å; L466-L539 HydrophobicContact CD1-CG 4.14Å; L466-L539 HydrophobicContact CD2-CD1 4.49Å; L466-L539 HydrophobicContact CD2-CD2 3.88Å; L466-L539 HydrophobicContact CD2-CG 3.86Å
467	Q	74.7	Confident	63.4	Low	56 Å²	56	50.2 Å²	50.2	26%	0.262	29%	0.291	S	S	.	.	H	α-helix	trans	-63.7	-38.4	176.3	-166.4	167.7	0.5	0	0	111.5	G465 L470 F471 D482 F485	G465-Q467 PolarHBondContact O-N 2.95Å; Q467-L470 PolarHBondContact O-N 2.91Å; Q467-F471 HydrophobicContact CG-CD2 3.64Å; Q467-F471 HydrophobicContact CG-CE2 3.81Å; Q467-F471 PolarHBondContact O-N 2.84Å; Q467-D482 PolarHBondContact NE2-OD1 2.96Å; Q467-F485 HydrophobicContact CB-CD1 4.4Å; Q467-F485 HydrophobicContact CB-CD2 4.13Å; Q467-F485 HydrophobicContact CB-CE1 4.19Å; Q467-F485 HydrophobicContact CB-CE2 3.92Å; Q467-F485 HydrophobicContact CB-CG 4.38Å; Q467-F485 HydrophobicContact CB-CZ 3.95Å; Q467-F485 HydrophobicContact CG-CB 4.47Å; Q467-F485 HydrophobicContact CG-CD1 4.32Å; Q467-F485 HydrophobicContact CG-CD2 4.09Å; Q467-F485 HydrophobicContact CG-CE2 4.4Å; Q467-F485 HydrophobicContact CG-CG 4.06Å
468	D	71.8	Confident	62.7	Low	66 Å²	66	57.7 Å²	57.7	35%	0.353	33%	0.33	S	S	.	.	H	α-helix	trans	-66.4	-40.6	176.4	-59.4	-64.8	0	0	0	112.5	Y464 G465 L466 L470 S472	Y464-D468 HydrophobicContact CD1-CB 4.41Å; G465-D468 WeakPolarHBondContact CA-OD2 3.41Å; G465-D468 PolarHBondContact N-OD2 3.31Å; G465-D468 PolarHBondContact O-N 3.4Å; L466-D468 VanDerWaalsContact C-N 3.33Å; D468-L470 PolarHBondContact O-N 3.24Å; D468-S472 WeakPolarHBondContact CA-OG 3.32Å; D468-S472 WeakPolarHBondContact O-CA 3.42Å; D468-S472 WeakPolarHBondContact O-CB 3.36Å; D468-S472 PolarHBondContact O-N 3.27Å; D468-S472 PolarHBondContact OD1-OG 3.13Å
469	L	73.1	Confident	62.4	Low	3 Å²	3	59.4 Å²	59.4	2%	0.016	34%	0.342	C	S	.	.	H	α-helix	trans	-60.1	-33.9	175.9	178.2	62.2	0	0	0	112.1	V452 L457 G465 L466 L497 L529 L533	V452-L469 HydrophobicContact CG1-CD1 4.19Å; V452-L469 HydrophobicContact CG2-CD1 4.38Å; L457-L469 HydrophobicContact CD2-CD1 3.55Å; G465-L469 PolarHBondContact O-N 2.92Å; L466-L469 PolarHBondContact O-N 3.04Å; L469-L497 HydrophobicContact CD2-CD2 4.2Å; L469-L529 HydrophobicContact CB-CD1 4.35Å; L469-L529 HydrophobicContact CD2-CD2 3.55Å; L469-L533 HydrophobicContact CD2-CD1 4Å
470	L	72.7	Confident	62.4	Low	1 Å²	1	56.3 Å²	56.3	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-86.8	-33.9	-176.9	-62.3	176.4	0	0	0	113.4	F450 L466 Q467 D468 F485 I488 L497	F450-L470 HydrophobicContact CB-CD2 4.14Å; F450-L470 HydrophobicContact CD1-CB 4.16Å; F450-L470 HydrophobicContact CD1-CD2 3.99Å; F450-L470 WeakPolarHBondContact CD1-O 3.42Å; F450-L470 HydrophobicContact CD2-CD2 3.8Å; F450-L470 HydrophobicContact CE1-CB 4.06Å; F450-L470 HydrophobicContact CE1-CD2 4.38Å; F450-L470 HydrophobicContact CE2-CD2 4.2Å; F450-L470 HydrophobicContact CG-CD2 3.69Å; F450-L470 HydrophobicContact CZ-CD2 4.49Å; L466-L470 HydrophobicContact CG-CD1 4.43Å; L466-L470 WeakPolarHBondContact O-CG 3.4Å; L466-L470 PolarHBondContact O-N 3.02Å; Q467-L470 PolarHBondContact O-N 2.91Å; D468-L470 PolarHBondContact O-N 3.24Å; L470-F485 HydrophobicContact CD1-CD2 4.27Å; L470-F485 HydrophobicContact CD1-CE2 4.09Å; L470-I488 HydrophobicContact CD1-CD1 4.42Å; L470-I488 HydrophobicContact CD1-CG2 4.12Å; L470-L497 HydrophobicContact CD2-CD1 4.46Å
471	F	70.4	Confident	63.1	Low	11 Å²	11	51 Å²	51	5%	0.048	31%	0.307	C	S	.	.	H	α-helix	trans	-117.1	-27.1	-171.7	-56.4	-32.2	0	0	0	115	F342 F450 Q467 L473 Q476 P477 A481 V484 F485 I488	F342-F471 HydrophobicContact CE1-CE1 4.01Å; F342-F471 AromaticContact CZ-CD1 3.98Å; F342-F471 HydrophobicContact CZ-CD1 3.98Å; F342-F471 AromaticContact CZ-CE1 3.74Å; F342-F471 HydrophobicContact CZ-CE1 3.74Å; F450-F471 HydrophobicContact CE1-CD1 4.42Å; F450-F471 HydrophobicContact CE1-CE1 4.24Å; F450-F471 HydrophobicContact CZ-CE1 4.48Å; Q467-F471 HydrophobicContact CG-CD2 3.64Å; Q467-F471 HydrophobicContact CG-CE2 3.81Å; Q467-F471 PolarHBondContact O-N 2.84Å; F471-L473 VanDerWaalsContact C-N 3.29Å; F471-L473 PolarHBondContact O-N 2.69Å; F471-Q476 VanDerWaalsContact O-CG 3.28Å; F471-Q476 WeakPolarHBondContact O-CG 3.43Å; F471-P477 HydrophobicContact CD1-CG 4.26Å; F471-P477 HydrophobicContact CD2-CG 4.14Å; F471-P477 HydrophobicContact CE1-CG 4.42Å; F471-P477 HydrophobicContact CE2-CG 4.29Å; F471-P477 HydrophobicContact CG-CG 4.14Å; F471-P477 HydrophobicContact CZ-CG 4.44Å; F471-A481 HydrophobicContact CD2-CB 4.21Å; F471-A481 HydrophobicContact CE2-CB 4.13Å; F471-A481 WeakPolarHBondContact CE2-O 3.44Å; F471-V484 HydrophobicContact CE1-CG1 4.12Å; F471-V484 HydrophobicContact CZ-CB 4.11Å; F471-V484 HydrophobicContact CZ-CG1 3.81Å; F471-F485 HydrophobicContact CE2-CB 4.02Å; F471-F485 HydrophobicContact CZ-CB 4.27Å; F471-I488 HydrophobicContact CE1-CD1 4.1Å; F471-I488 HydrophobicContact CZ-CD1 4.02Å
472	S	58.3	Low	63.9	Low	61 Å²	61	54.6 Å²	54.6	43%	0.427	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-10.2	-179.3	-54.8	0	0	0	0	112.8	D468	D468-S472 WeakPolarHBondContact CA-OG 3.32Å; D468-S472 WeakPolarHBondContact O-CA 3.42Å; D468-S472 WeakPolarHBondContact O-CB 3.36Å; D468-S472 PolarHBondContact O-N 3.27Å; D468-S472 PolarHBondContact OD1-OG 3.13Å
473	L	54.6	Low	64.9	Low	32 Å²	32	51.9 Å²	51.9	17%	0.168	30%	0.299	C	S	.	.	S	Bend	trans	-130.2	6.9	179.3	-64.5	178.2	0	0	0	113.9	V452 C456 L457 F471	V452-L473 HydrophobicContact CG1-CB 4.19Å; V452-L473 HydrophobicContact CG1-CD1 4.08Å; C456-L473 HydrophobicContact CB-CD1 4.45Å; C456-L473 HydrophobicContact CB-CD2 3.86Å; L457-L473 HydrophobicContact CD2-CD1 3.28Å; L457-L473 HydrophobicContact CG-CD1 4Å; F471-L473 VanDerWaalsContact C-N 3.29Å; F471-L473 PolarHBondContact O-N 2.69Å
474	G	55.9	Low	65.6	Low	25 Å²	25	49.2 Å²	49.2	26%	0.258	28%	0.277	S	S	.	.	S	Bend	trans	-124.2	-174.9	169.6	0	0	0	0	0	110.4	Q476	G474-Q476 PolarHBondContact O-N 3.06Å
475	P	54.6	Low	66.2	Low	27 Å²	27	48.1 Å²	48.1	18%	0.175	27%	0.273	C	S	.	.			trans	-57.2	131.9	171	-27.4	39.5	0	0	0	110.7	F342 L346 T349	F342-P475 WeakPolarHBondContact CE2-O 3.48Å; L346-P475 HydrophobicContact CD2-CB 4.11Å; L346-P475 HydrophobicContact CD2-CG 3.86Å; T349-P475 HydrophobicContact CG2-CG 3.81Å
476	Q	59.8	Low	66.7	Low	136 Å²	136	49.9 Å²	49.9	64%	0.636	28%	0.284	S	S	*	.			trans	-80.8	137.8	-177.4	-75	-176.7	-2.7	0	0	111.6	F471 G474 L478	F471-Q476 VanDerWaalsContact O-CG 3.28Å; F471-Q476 WeakPolarHBondContact O-CG 3.43Å; G474-Q476 PolarHBondContact O-N 3.06Å; Q476-L478 PolarHBondContact O-N 2.91Å
477	P	57.4	Low	67	Low	20 Å²	20	50.8 Å²	50.8	13%	0.13	29%	0.288	C	S	.	.			trans	-66.9	113.2	168.7	27.3	-32.4	0	0	0	109.9	F342 F471 V479 A481 V484	F342-P477 HydrophobicContact CD2-CB 3.69Å; F342-P477 HydrophobicContact CE2-CB 4.02Å; F342-P477 HydrophobicContact CE2-CG 4.4Å; F342-P477 HydrophobicContact CG-CB 4.31Å; F471-P477 HydrophobicContact CD1-CG 4.26Å; F471-P477 HydrophobicContact CD2-CG 4.14Å; F471-P477 HydrophobicContact CE1-CG 4.42Å; F471-P477 HydrophobicContact CE2-CG 4.29Å; F471-P477 HydrophobicContact CG-CG 4.14Å; F471-P477 HydrophobicContact CZ-CG 4.44Å; P477-V479 PolarHBondContact O-N 3Å; P477-V479 VanDerWaalsContact O-N 3.11Å; P477-A481 HydrophobicContact CG-CB 3.64Å; P477-V484 HydrophobicContact CB-CG2 4.39Å
478	L	55.1	Low	67.5	Low	159 Å²	159	48.2 Å²	48.2	83%	0.832	28%	0.276	S	S	*	.	S	Bend	trans	-56.9	-26.3	-177.7	-72.6	158.7	0	0	0	113.8	Q476	Q476-L478 PolarHBondContact O-N 2.91Å
479	V	54.9	Low	68	Low	92 Å²	92	48.7 Å²	48.7	56%	0.558	28%	0.278	S	S	*	.	S	Bend	trans	-145.2	146.1	177.8	-172.9	0	0	0	0	109.2	P477 A481	P477-V479 PolarHBondContact O-N 3Å; P477-V479 VanDerWaalsContact O-N 3.11Å; V479-A481 PolarHBondContact O-N 3.14Å
480	A	60.8	Low	68.5	Low	36 Å²	36	55.8 Å²	55.8	30%	0.298	31%	0.309	S	S	.	.			trans	54.6	51.6	167.2	0	0	0	0	0	116.5	P338 D482 E483 V484	P338-A480 HydrophobicContact CB-CB 4.12Å; P338-A480 HydrophobicContact CG-CB 4.18Å; A480-D482 PolarHBondContact O-N 2.97Å; A480-D482 VanDerWaalsContact O-N 3.1Å; A480-E483 HydrophobicContact CB-CB 4.24Å; A480-E483 HydrophobicContact CB-CG 4.16Å; A480-E483 PolarHBondContact O-N 3.03Å; A480-V484 PolarHBondContact O-N 3.01Å
481	A	65.1	Low	68.9	Low	31 Å²	31	60.9 Å²	60.9	26%	0.256	33%	0.328	S	S	.	.	H	α-helix	trans	-48.4	-38.1	175.7	0	0	0	0	0	114	F471 P477 V479 V484 F485	F471-A481 HydrophobicContact CD2-CB 4.21Å; F471-A481 HydrophobicContact CE2-CB 4.13Å; F471-A481 WeakPolarHBondContact CE2-O 3.44Å; P477-A481 HydrophobicContact CG-CB 3.64Å; V479-A481 PolarHBondContact O-N 3.14Å; A481-V484 PolarHBondContact O-N 3.44Å; A481-F485 WeakPolarHBondContact O-CB 3.46Å; A481-F485 PolarHBondContact O-N 3.07Å
482	D	72.1	Confident	69.5	Low	113 Å²	113	61.5 Å²	61.5	60%	0.604	33%	0.333	S	S	*	.	H	α-helix	trans	-70.6	-31.1	-178	-56	-37.4	0	0	0	113.2	Q467 A480 S486	Q467-D482 PolarHBondContact NE2-OD1 2.96Å; A480-D482 PolarHBondContact O-N 2.97Å; A480-D482 VanDerWaalsContact O-N 3.1Å; D482-S486 WeakPolarHBondContact O-CB 3.46Å; D482-S486 PolarHBondContact O-N 3.08Å
483	E	76.6	Confident	70.6	Confident	107 Å²	107	61.7 Å²	61.7	50%	0.5	33%	0.329	S	S	.	.	H	α-helix	trans	-70.2	-41.9	174.6	-69	-169.9	-166.5	0	0	111	A480 S486 H487	A480-E483 HydrophobicContact CB-CB 4.24Å; A480-E483 HydrophobicContact CB-CG 4.16Å; A480-E483 PolarHBondContact O-N 3.03Å; E483-S486 PolarHBondContact O-N 3.22Å; E483-H487 PolarHBondContact O-N 2.9Å
484	V	78.6	Confident	72.2	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-62.5	-47.5	174.2	-178.6	0	0	0	0	110.1	V339 F342 F471 P477 A480 A481 S486 H487 I488	V339-V484 HydrophobicContact CG2-CG2 4.33Å; F342-V484 HydrophobicContact CB-CG2 4.27Å; F342-V484 HydrophobicContact CD1-CG1 3.39Å; F342-V484 HydrophobicContact CE1-CG1 3.7Å; F342-V484 HydrophobicContact CG-CG1 4.03Å; F342-V484 HydrophobicContact CG-CG2 4.48Å; F471-V484 HydrophobicContact CE1-CG1 4.12Å; F471-V484 HydrophobicContact CZ-CB 4.11Å; F471-V484 HydrophobicContact CZ-CG1 3.81Å; P477-V484 HydrophobicContact CB-CG2 4.39Å; A480-V484 PolarHBondContact O-N 3.01Å; A481-V484 PolarHBondContact O-N 3.44Å; V484-S486 VanDerWaalsContact C-N 3.34Å; V484-S486 PolarHBondContact O-N 3.46Å; V484-H487 WeakPolarHBondContact O-CB 3.08Å; V484-H487 PolarHBondContact O-N 3.36Å; V484-H487 VanDerWaalsContact O-N 3.08Å; V484-I488 HydrophobicContact CG1-CD1 4.02Å; V484-I488 WeakPolarHBondContact O-CG1 3.28Å; V484-I488 PolarHBondContact O-N 3.45Å
485	F	80.6	Confident	73.7	Confident	20 Å²	20	63.4 Å²	63.4	9%	0.088	33%	0.326	C	S	.	.	H	α-helix	trans	-60.9	-42.3	175.8	-168.4	-123.1	0	0	0	112	L466 Q467 L470 F471 A481 H487 I488 L489	L466-F485 HydrophobicContact CB-CE2 4.38Å; L466-F485 HydrophobicContact CB-CZ 4.13Å; L466-F485 HydrophobicContact CD2-CE2 4.11Å; L466-F485 HydrophobicContact CD2-CZ 4.05Å; L466-F485 HydrophobicContact CG-CE2 3.97Å; L466-F485 HydrophobicContact CG-CZ 4.12Å; Q467-F485 HydrophobicContact CB-CD1 4.4Å; Q467-F485 HydrophobicContact CB-CD2 4.13Å; Q467-F485 HydrophobicContact CB-CE1 4.19Å; Q467-F485 HydrophobicContact CB-CE2 3.92Å; Q467-F485 HydrophobicContact CB-CG 4.38Å; Q467-F485 HydrophobicContact CB-CZ 3.95Å; Q467-F485 HydrophobicContact CG-CB 4.47Å; Q467-F485 HydrophobicContact CG-CD1 4.32Å; Q467-F485 HydrophobicContact CG-CD2 4.09Å; Q467-F485 HydrophobicContact CG-CE2 4.4Å; Q467-F485 HydrophobicContact CG-CG 4.06Å; L470-F485 HydrophobicContact CD1-CD2 4.27Å; L470-F485 HydrophobicContact CD1-CE2 4.09Å; F471-F485 HydrophobicContact CE2-CB 4.02Å; F471-F485 HydrophobicContact CZ-CB 4.27Å; A481-F485 WeakPolarHBondContact O-CB 3.46Å; A481-F485 PolarHBondContact O-N 3.07Å; F485-H487 VanDerWaalsContact C-N 3.28Å; F485-H487 PolarHBondContact O-N 3.47Å; F485-I488 PolarHBondContact O-N 3.16Å; F485-L489 HydrophobicContact CD1-CD1 3.97Å; F485-L489 HydrophobicContact CE1-CD1 3.68Å; F485-L489 HydrophobicContact CE1-CG 4.41Å; F485-L489 HydrophobicContact CZ-CD1 4.02Å; F485-L489 HydrophobicContact CZ-CD2 4.45Å; F485-L489 HydrophobicContact CZ-CG 4.37Å; F485-L489 WeakPolarHBondContact O-CG 3.47Å; F485-L489 PolarHBondContact O-N 3.23Å
486	S	79.4	Confident	75.3	Confident	46 Å²	46	62.1 Å²	62.1	32%	0.322	32%	0.317	S	S	.	.	H	α-helix	trans	-61.7	-33.9	173.7	-166.6	0	0	0	0	112.5	D482 E483 V484 K490	D482-S486 WeakPolarHBondContact O-CB 3.46Å; D482-S486 PolarHBondContact O-N 3.08Å; E483-S486 PolarHBondContact O-N 3.22Å; V484-S486 VanDerWaalsContact C-N 3.34Å; V484-S486 PolarHBondContact O-N 3.46Å; S486-K490 WeakPolarHBondContact O-CD 3.45Å; S486-K490 WeakPolarHBondContact O-CG 3.48Å; S486-K490 PolarHBondContact O-N 3.1Å; S486-K490 WeakPolarHBondContact OG-CE 3.45Å; S486-K490 PolarHBondContact OG-NZ 3.2Å
487	H	81.1	Confident	76.7	Confident	25 Å²	25	55.7 Å²	55.7	12%	0.116	29%	0.287	C	S	.	.	H	α-helix	trans	-69	-46.5	173.8	-160	113.1	0	0	0	111.7	W335 V339 E483 V484 F485 L489 K490 R491	W335-H487 AromaticContact CD1-CE1 3.56Å; W335-H487 AromaticContact CD1-NE2 3.99Å; W335-H487 AromaticContact NE1-CE1 3.85Å; W335-H487 AromaticContact NE1-NE2 3.79Å; V339-H487 HydrophobicContact CG1-CB 4.46Å; V339-H487 HydrophobicContact CG2-CB 4.2Å; E483-H487 PolarHBondContact O-N 2.9Å; V484-H487 WeakPolarHBondContact O-CB 3.08Å; V484-H487 PolarHBondContact O-N 3.36Å; V484-H487 VanDerWaalsContact O-N 3.08Å; F485-H487 VanDerWaalsContact C-N 3.28Å; F485-H487 PolarHBondContact O-N 3.47Å; H487-L489 VanDerWaalsContact C-N 3.34Å; H487-L489 PolarHBondContact O-N 3.05Å; H487-K490 WeakPolarHBondContact O-CB 3.27Å; H487-K490 PolarHBondContact O-N 2.91Å; H487-R491 PolarHBondContact O-N 3.21Å
488	I	84	Confident	78.2	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-56.5	-46.8	177.2	-70	164.3	0	0	0	110.6	F448 F450 L470 F471 V484 F485 K490 R491 V495 L539	F448-I488 HydrophobicContact CD2-CG1 4.33Å; F450-I488 HydrophobicContact CE2-CD1 4.1Å; F450-I488 HydrophobicContact CZ-CD1 3.62Å; L470-I488 HydrophobicContact CD1-CD1 4.42Å; L470-I488 HydrophobicContact CD1-CG2 4.12Å; F471-I488 HydrophobicContact CE1-CD1 4.1Å; F471-I488 HydrophobicContact CZ-CD1 4.02Å; V484-I488 HydrophobicContact CG1-CD1 4.02Å; V484-I488 WeakPolarHBondContact O-CG1 3.28Å; V484-I488 PolarHBondContact O-N 3.45Å; F485-I488 PolarHBondContact O-N 3.16Å; I488-K490 VanDerWaalsContact C-N 3.26Å; I488-K490 PolarHBondContact O-N 2.93Å; I488-R491 CarbonylContact O-C 3.28Å; I488-R491 VanDerWaalsContact O-C 3.32Å; I488-R491 PolarHBondContact O-N 2.96Å; I488-V495 HydrophobicContact CG2-CG2 4.12Å; I488-L539 HydrophobicContact CG2-CD2 4.28Å
489	L	82.6	Confident	79.7	Confident	76 Å²	76	47.1 Å²	47.1	40%	0.398	24%	0.241	S	C	.	.	H	α-helix	trans	-67.3	-20.9	177.5	-67.8	178.7	0	0	0	114.1	L466 F485 H487 L539	L466-L489 HydrophobicContact CD2-CD2 4.18Å; F485-L489 HydrophobicContact CD1-CD1 3.97Å; F485-L489 HydrophobicContact CE1-CD1 3.68Å; F485-L489 HydrophobicContact CE1-CG 4.41Å; F485-L489 HydrophobicContact CZ-CD1 4.02Å; F485-L489 HydrophobicContact CZ-CD2 4.45Å; F485-L489 HydrophobicContact CZ-CG 4.37Å; F485-L489 WeakPolarHBondContact O-CG 3.47Å; F485-L489 PolarHBondContact O-N 3.23Å; H487-L489 VanDerWaalsContact C-N 3.34Å; H487-L489 PolarHBondContact O-N 3.05Å; L489-L539 HydrophobicContact CD2-CD2 4.06Å
490	K	83.3	Confident	81.2	Confident	152 Å²	152	43.7 Å²	43.7	66%	0.661	22%	0.22	S	C	*	.	H	α-helix	trans	-82.5	-22.1	174.6	-73.2	160.6	-173.3	148.9	0	113.3	S486 H487 I488	S486-K490 WeakPolarHBondContact O-CD 3.45Å; S486-K490 WeakPolarHBondContact O-CG 3.48Å; S486-K490 PolarHBondContact O-N 3.1Å; S486-K490 WeakPolarHBondContact OG-CE 3.45Å; S486-K490 PolarHBondContact OG-NZ 3.2Å; H487-K490 WeakPolarHBondContact O-CB 3.27Å; H487-K490 PolarHBondContact O-N 2.91Å; I488-K490 VanDerWaalsContact C-N 3.26Å; I488-K490 PolarHBondContact O-N 2.93Å
491	R	81.8	Confident	82.1	Confident	109 Å²	109	42.5 Å²	42.5	41%	0.411	21%	0.211	S	C	.	.			trans	-137.5	56.5	179.6	-65.6	-174.8	179.9	169.8	2.5	112.9	D447 H487 I488 D493 R494	D447-R491 IonicContact OD2-NH1 2.69Å; H487-R491 PolarHBondContact O-N 3.21Å; I488-R491 CarbonylContact O-C 3.28Å; I488-R491 VanDerWaalsContact O-C 3.32Å; I488-R491 PolarHBondContact O-N 2.96Å; R491-D493 PolarHBondContact O-N 3.42Å; R491-D493 VanDerWaalsContact O-N 3.14Å; R491-R494 HydrophobicContact CB-CB 4.32Å; R491-R494 HydrophobicContact CB-CG 4.38Å; R491-R494 PolarHBondContact O-N 3.47Å
492	P	83	Confident	82.8	Confident	23 Å²	23	41.1 Å²	41.1	15%	0.149	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-59.6	-27.1	179.4	26.1	-35.7	0	0	0	112.5	R494 V495 L539 R540 C542	P492-R494 PolarHBondContact O-N 3.29Å; P492-V495 WeakPolarHBondContact O-CB 3.21Å; P492-V495 PolarHBondContact O-N 3.36Å; P492-V495 VanDerWaalsContact O-N 3.09Å; P492-L539 HydrophobicContact CB-CD2 4.46Å; P492-R540 WeakPolarHBondContact CG-O 3.34Å; P492-C542 WeakPolarHBondContact O-CA 3.34Å; P492-C542 WeakPolarHBondContact O-CB 3.39Å; P492-C542 PolarHBondContact O-N 3.26Å
493	D	82.3	Confident	82.9	Confident	66 Å²	66	37.2 Å²	37.2	35%	0.353	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-70.8	-9.1	177.9	70.2	-55.6	0	0	0	115	R491 G541	R491-D493 PolarHBondContact O-N 3.42Å; R491-D493 VanDerWaalsContact O-N 3.14Å; D493-G541 WeakPolarHBondContact CA-O 3.37Å
494	R	86.4	Confident	82.6	Confident	93 Å²	93	33.5 Å²	33.5	35%	0.351	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-99.9	9.9	171.1	-66.9	-58.1	-164.8	124.4	-17.3	113.5	P444 Q445 Y446 D447 F448 R491 P492	P444-R494 PolarHBondContact O-NH1 3.49Å; Q445-R494 WeakPolarHBondContact O-CD 3.49Å; Y446-R494 CarbonylContact C-O 3.49Å; Y446-R494 WeakPolarHBondContact CA-O 3.44Å; D447-R494 HydrophobicContact CB-CB 3.73Å; D447-R494 HydrophobicContact CB-CG 4.47Å; D447-R494 VanDerWaalsContact CG-CB 3.45Å; D447-R494 PolarHBondContact N-O 2.81Å; D447-R494 WeakPolarHBondContact OD1-CD 3.48Å; D447-R494 WeakPolarHBondContact OD1-CG 3.46Å; D447-R494 IonicContact OD1-CZ 3.47Å; D447-R494 IonicContact OD1-NE 2.7Å; D447-R494 IonicContact OD1-NH1 3.89Å; D447-R494 PolarHBondContact OD1-NH1 3.36Å; F448-R494 PolarHBondContact N-O 3.36Å; R491-R494 HydrophobicContact CB-CB 4.32Å; R491-R494 HydrophobicContact CB-CG 4.38Å; R491-R494 PolarHBondContact O-N 3.47Å; P492-R494 PolarHBondContact O-N 3.29Å
495	V	88.2	Confident	82.2	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.7	-177.7	-173.7	0	0	0	0	110.8	F450 I488 P492 C542 T543	F450-V495 HydrophobicContact CD2-CG1 3.84Å; F450-V495 HydrophobicContact CE2-CG1 3.98Å; I488-V495 HydrophobicContact CG2-CG2 4.12Å; P492-V495 WeakPolarHBondContact O-CB 3.21Å; P492-V495 PolarHBondContact O-N 3.36Å; P492-V495 VanDerWaalsContact O-N 3.09Å; V495-C542 HydrophobicContact CB-CB 4.28Å; V495-C542 WeakPolarHBondContact O-CB 3.39Å; V495-T543 PolarHBondContact O-N 3.23Å
496	L	88.3	Confident	81.1	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.4	166.7	173	63.7	0	0	0	109	L402 V434 Y446 F448 V449 F450 I498 T543 L545	L402-L496 HydrophobicContact CD2-CD1 4.36Å; L402-L496 HydrophobicContact CD2-CD2 4.42Å; V434-L496 HydrophobicContact CG1-CD2 3.78Å; Y446-L496 HydrophobicContact CD1-CB 3.88Å; Y446-L496 HydrophobicContact CD2-CB 4.1Å; Y446-L496 HydrophobicContact CD2-CD2 4.12Å; Y446-L496 HydrophobicContact CE1-CB 4Å; Y446-L496 HydrophobicContact CE2-CB 4.22Å; Y446-L496 HydrophobicContact CE2-CD2 4.04Å; Y446-L496 HydrophobicContact CG-CB 3.93Å; F448-L496 PolarHBondContact O-N 2.87Å; V449-L496 WeakPolarHBondContact CA-O 3.32Å; V449-L496 HydrophobicContact CG1-CD2 4.25Å; V449-L496 HydrophobicContact CG1-CG 4.43Å; V449-L496 HydrophobicContact CG2-CB 4.16Å; V449-L496 HydrophobicContact CG2-CD2 4.11Å; F450-L496 PolarHBondContact N-O 3.25Å; L496-I498 HydrophobicContact CD1-CG1 4.39Å; L496-I498 HydrophobicContact CD2-CD1 4.2Å; L496-I498 HydrophobicContact CD2-CG1 4.3Å; L496-I498 HydrophobicContact CG-CD1 4.42Å; L496-I498 HydrophobicContact CG-CG1 3.99Å; L496-T543 WeakPolarHBondContact CA-O 3.4Å; L496-T543 HydrophobicContact CD1-CG2 3.68Å; L496-L545 HydrophobicContact CD1-CB 3.95Å; L496-L545 HydrophobicContact CD1-CD2 4.5Å
497	L	88.9	Confident	79.8	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	121.5	173.4	175.8	60.2	0	0	0	108.7	F450 V452 L469 L470 L499 L533 T543 L544 L545	F450-L497 HydrophobicContact CB-CD1 3.86Å; F450-L497 CarbonylContact O-C 3.42Å; F450-L497 WeakPolarHBondContact O-CA 3.34Å; V452-L497 HydrophobicContact CG2-CD1 4.23Å; L469-L497 HydrophobicContact CD2-CD2 4.2Å; L470-L497 HydrophobicContact CD2-CD1 4.46Å; L497-L499 HydrophobicContact CD1-CD2 4.2Å; L497-L499 HydrophobicContact CG-CD2 4.25Å; L497-L533 HydrophobicContact CD2-CD1 3.84Å; L497-L533 HydrophobicContact CD2-CD2 4.48Å; L497-T543 PolarHBondContact N-O 3.41Å; L497-L544 HydrophobicContact CB-CD1 4.31Å; L497-L544 HydrophobicContact CD2-CD1 4.03Å; L497-L544 HydrophobicContact CG-CD1 4.03Å; L497-L544 CarbonylContact O-C 3.32Å; L497-L544 WeakPolarHBondContact O-CA 3.47Å; L497-L545 PolarHBondContact O-N 3.1Å
498	I	89	Confident	78.5	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.9	-179.8	-43.7	-178.4	0	0	0	108.5	A431 V434 V449 F450 V452 L496 L545	A431-I498 HydrophobicContact CB-CG2 4.06Å; V434-I498 HydrophobicContact CB-CD1 3.96Å; V434-I498 HydrophobicContact CG1-CD1 3.83Å; V449-I498 HydrophobicContact CG1-CD1 3.92Å; V449-I498 HydrophobicContact CG1-CG1 4.34Å; F450-I498 PolarHBondContact O-N 2.81Å; V452-I498 PolarHBondContact N-O 3.29Å; L496-I498 HydrophobicContact CD1-CG1 4.39Å; L496-I498 HydrophobicContact CD2-CD1 4.2Å; L496-I498 HydrophobicContact CD2-CG1 4.3Å; L496-I498 HydrophobicContact CG-CD1 4.42Å; L496-I498 HydrophobicContact CG-CG1 3.99Å; I498-L545 CarbonylContact C-O 3.52Å; I498-L545 VanDerWaalsContact CA-O 3.3Å; I498-L545 WeakPolarHBondContact CA-O 3.48Å; I498-L545 HydrophobicContact CD1-CD2 4.17Å; I498-L545 HydrophobicContact CG1-CB 4.33Å; I498-L545 HydrophobicContact CG1-CD2 4.1Å; I498-L545 HydrophobicContact CG2-CB 4.37Å; I498-L545 HydrophobicContact CG2-CD2 4.11Å; I498-L545 HydrophobicContact CG2-CG 4.15Å
499	L	87	Confident	76.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	112.2	172.2	-55.9	-177	0	0	0	108.7	V452 L497 F502 L530 L544 L545 L546 T547	V452-L499 HydrophobicContact CB-CD2 4.12Å; L497-L499 HydrophobicContact CD1-CD2 4.2Å; L497-L499 HydrophobicContact CG-CD2 4.25Å; L499-F502 HydrophobicContact CB-CD2 4.5Å; L499-F502 HydrophobicContact CD1-CD2 4.23Å; L499-F502 HydrophobicContact CD1-CE2 4.32Å; L499-L530 HydrophobicContact CD1-CD2 3.71Å; L499-L544 HydrophobicContact CD1-CD1 3.99Å; L499-L544 HydrophobicContact CG-CD1 4.05Å; L499-L545 PolarHBondContact N-O 2.84Å; L499-L546 HydrophobicContact CB-CD2 4.08Å; L499-L546 HydrophobicContact CD1-CD2 3.92Å; L499-L546 HydrophobicContact CG-CD2 4.29Å; L499-T547 PolarHBondContact O-N 3.45Å
500	D	86.9	Confident	75.3	Confident	20 Å²	20	40.9 Å²	40.9	11%	0.107	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	128.5	-174.9	-172.5	59.6	0	0	0	111.9	S428 A431 V452 C454 T547	S428-D500 WeakPolarHBondContact CA-OD1 3.43Å; S428-D500 WeakPolarHBondContact CA-OD2 3.2Å; S428-D500 WeakPolarHBondContact CB-OD2 3.42Å; S428-D500 PolarHBondContact OG-OD1 2.98Å; S428-D500 PolarHBondContact OG-OD2 3.35Å; A431-D500 HydrophobicContact CB-CB 4.48Å; V452-D500 PolarHBondContact O-N 2.96Å; V452-D500 VanDerWaalsContact O-N 3.11Å; C454-D500 VanDerWaalsContact CB-O 3.28Å; C454-D500 WeakPolarHBondContact CB-O 3.48Å; C454-D500 PolarHBondContact N-O 3.21Å; C454-D500 PolarHBondContact SG-O 2.92Å; D500-T547 WeakPolarHBondContact CA-OG1 3.5Å; D500-T547 HydrophobicContact CB-CG2 4.49Å; D500-T547 WeakPolarHBondContact OD1-CB 3.08Å; D500-T547 WeakPolarHBondContact OD1-CG2 3.43Å; D500-T547 PolarHBondContact OD1-OG1 3.11Å
501	G	79.4	Confident	73.7	Confident	10 Å²	10	34.8 Å²	34.8	10%	0.103	19%	0.186	C	C	.	.	S	Bend	trans	81.6	35.2	-179.3	0	0	0	0	0	114.6	C454 E503 E504 T547	C454-G501 WeakPolarHBondContact CB-O 3.42Å; G501-E503 PolarHBondContact O-N 3.01Å; G501-E504 WeakPolarHBondContact O-CB 3.47Å; G501-E504 WeakPolarHBondContact O-CG 3.45Å; G501-E504 PolarHBondContact O-N 2.87Å; G501-T547 PolarHBondContact N-O 3.01Å; G501-T547 PolarHBondContact N-OG1 3.48Å
502	F	79.2	Confident	72.3	Confident	3 Å²	3	31 Å²	31	1%	0.013	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-24	-168.2	-172.8	-90.2	0	0	0	115.2	L499 E504 L505 F511 F534 L546 T547 A548 L554	L499-F502 HydrophobicContact CB-CD2 4.5Å; L499-F502 HydrophobicContact CD1-CD2 4.23Å; L499-F502 HydrophobicContact CD1-CE2 4.32Å; F502-E504 PolarHBondContact O-N 3.08Å; F502-E504 VanDerWaalsContact O-N 3.12Å; F502-L505 HydrophobicContact CD2-CD1 4.02Å; F502-L505 HydrophobicContact CE2-CD1 4.11Å; F502-L505 PolarHBondContact O-N 2.91Å; F502-L505 VanDerWaalsContact O-N 3.14Å; F502-F511 HydrophobicContact CE1-CE1 4.44Å; F502-F511 HydrophobicContact CE2-CE1 4.34Å; F502-F511 HydrophobicContact CE2-CZ 4.4Å; F502-F511 HydrophobicContact CZ-CD1 4.41Å; F502-F511 AromaticContact CZ-CE1 3.62Å; F502-F511 HydrophobicContact CZ-CE1 3.62Å; F502-F511 AromaticContact CZ-CZ 3.96Å; F502-F511 HydrophobicContact CZ-CZ 3.96Å; F502-F534 HydrophobicContact CD2-CZ 4.43Å; F502-F534 HydrophobicContact CE1-CZ 4.05Å; F502-F534 AromaticContact CE2-CE2 3.53Å; F502-F534 HydrophobicContact CE2-CE2 3.53Å; F502-F534 AromaticContact CE2-CZ 3.67Å; F502-F534 HydrophobicContact CE2-CZ 3.67Å; F502-F534 HydrophobicContact CZ-CE1 4.48Å; F502-F534 AromaticContact CZ-CE2 3.54Å; F502-F534 HydrophobicContact CZ-CE2 3.54Å; F502-F534 AromaticContact CZ-CZ 3.43Å; F502-F534 HydrophobicContact CZ-CZ 3.43Å; F502-F534 VanDerWaalsContact CZ-CZ 3.43Å; F502-L546 HydrophobicContact CD2-CD2 4.21Å; F502-T547 WeakPolarHBondContact CB-O 3.49Å; F502-T547 PolarHBondContact N-O 3.42Å; F502-A548 HydrophobicContact CB-CB 4.34Å; F502-L554 HydrophobicContact CD1-CD1 3.51Å; F502-L554 HydrophobicContact CE1-CD1 3.84Å
503	E	74.4	Confident	70.6	Confident	31 Å²	31	37.8 Å²	37.8	15%	0.145	20%	0.203	C	C	.	.	H	α-helix	trans	-60.2	-20.1	175.5	67.9	-92.4	-160.6	0	0	114.5	G501 L505 E506 A548 R549	G501-E503 PolarHBondContact O-N 3.01Å; E503-L505 PolarHBondContact O-N 2.89Å; E503-E506 PolarHBondContact O-N 3.43Å; E503-A548 WeakPolarHBondContact OE2-CA 3.49Å; E503-R549 HydrophobicContact CG-CB 4.46Å; E503-R549 IonicContact OE1-CZ 2.72Å; E503-R549 IonicContact OE1-NE 3.34Å; E503-R549 PolarHBondContact OE1-NE 3.33Å; E503-R549 IonicContact OE1-NH2 2.73Å; E503-R549 PolarHBondContact OE1-NH2 2.89Å; E503-R549 PolarHBondContact OE2-N 3.45Å
504	E	70.6	Confident	69	Low	28 Å²	28	36.8 Å²	36.8	13%	0.131	20%	0.202	C	C	.	.	H	α-helix	trans	-69.6	-15.3	178.1	-62.3	178.3	156.6	0	0	113.1	H455 N458 G501 F502 S674	H455-E504 WeakPolarHBondContact CA-OE2 3.47Å; H455-E504 WeakPolarHBondContact CB-OE2 3.09Å; H455-E504 PolarHBondContact N-OE2 3.29Å; H455-E504 IonicContact ND1-OE2 3.72Å; N458-E504 PolarHBondContact ND2-O 3.2Å; G501-E504 WeakPolarHBondContact O-CB 3.47Å; G501-E504 WeakPolarHBondContact O-CG 3.45Å; G501-E504 PolarHBondContact O-N 2.87Å; F502-E504 PolarHBondContact O-N 3.08Å; F502-E504 VanDerWaalsContact O-N 3.12Å; E504-S674 VanDerWaalsContact CD-OG 3.3Å; E504-S674 WeakPolarHBondContact OE1-CB 3.48Å; E504-S674 PolarHBondContact OE1-OG 3.39Å
505	L	69.7	Low	66.8	Low	3 Å²	3	38.8 Å²	38.8	2%	0.016	22%	0.224	C	C	.	.	H	α-helix	trans	-95.4	-26.2	178.1	-53.8	177.6	0	0	0	112.1	C454 L457 F502 E503 A507 F511 L526 L530	C454-L505 HydrophobicContact CB-CD1 4.04Å; C454-L505 HydrophobicContact CB-CD2 4.23Å; C454-L505 HydrophobicContact CB-CG 3.93Å; L457-L505 HydrophobicContact CB-CD2 4.06Å; L457-L505 HydrophobicContact CD1-CD1 3.99Å; L457-L505 HydrophobicContact CD1-CD2 4.47Å; F502-L505 HydrophobicContact CD2-CD1 4.02Å; F502-L505 HydrophobicContact CE2-CD1 4.11Å; F502-L505 PolarHBondContact O-N 2.91Å; F502-L505 VanDerWaalsContact O-N 3.14Å; E503-L505 PolarHBondContact O-N 2.89Å; L505-A507 VanDerWaalsContact C-N 3.3Å; L505-A507 PolarHBondContact O-N 3.27Å; L505-F511 HydrophobicContact CB-CE2 3.72Å; L505-F511 HydrophobicContact CB-CZ 3.93Å; L505-F511 VanDerWaalsContact O-CE2 3.32Å; L505-F511 WeakPolarHBondContact O-CE2 3.44Å; L505-L526 HydrophobicContact CD2-CD2 4.47Å; L505-L530 HydrophobicContact CD1-CD1 3.74Å
506	E	57.5	Low	64.6	Low	31 Å²	31	43.5 Å²	43.5	15%	0.145	26%	0.256	C	S	.	.	H	α-helix	trans	-73.9	-21	-175.4	-161.8	-158.7	130.6	0	0	113.2	E503 Q508 R553 L554	E503-E506 PolarHBondContact O-N 3.43Å; E506-Q508 PolarHBondContact O-N 2.9Å; E506-R553 WeakPolarHBondContact OE1-CA 3.32Å; E506-R553 WeakPolarHBondContact OE1-CB 3.22Å; E506-R553 PolarHBondContact OE1-N 3.25Å; E506-L554 VanDerWaalsContact CD-N 3.3Å; E506-L554 PolarHBondContact OE1-N 3.45Å; E506-L554 WeakPolarHBondContact OE2-CA 3.45Å; E506-L554 WeakPolarHBondContact OE2-CB 3.37Å; E506-L554 PolarHBondContact OE2-N 3.11Å
507	A	52.4	Low	62.6	Low	55 Å²	55	44.7 Å²	44.7	46%	0.455	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-9	179.5	0	0	0	0	0	114.2	L505 H672	L505-A507 VanDerWaalsContact C-N 3.3Å; L505-A507 PolarHBondContact O-N 3.27Å; A507-H672 HydrophobicContact CB-CB 3.59Å
508	Q	52.8	Low	60.7	Low	80 Å²	80	46.2 Å²	46.2	37%	0.374	28%	0.278	S	S	.	.	S	Bend	trans	-103.4	123.7	173.5	-36	-176.6	10	0	0	111.2	N458 E506	N458-Q508 PolarHBondContact OD1-NE2 2.9Å; E506-Q508 PolarHBondContact O-N 2.9Å
509	D	47.3	Very low	59.2	Low	109 Å²	109	48.4 Å²	48.4	58%	0.583	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	139.8	-172.5	-82.8	-60.3	0	0	0	115.4	R527 R553	D509-R527 PolarHBondContact O-NH1 2.91Å; D509-R553 IonicContact OD1-CZ 2.81Å; D509-R553 IonicContact OD1-NH1 3.19Å; D509-R553 PolarHBondContact OD1-NH1 2.91Å; D509-R553 IonicContact OD1-NH2 2.73Å; D509-R553 PolarHBondContact OD1-NH2 2.92Å
510	G	52.3	Low	57.7	Low	46 Å²	46	51.2 Å²	51.2	47%	0.474	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.7	12.9	163	0	0	0	0	0	117.9	L512	G510-L512 VanDerWaalsContact C-N 3.34Å; G510-L512 PolarHBondContact O-N 3.2Å
511	F	50.8	Low	56	Low	24 Å²	24	54.6 Å²	54.6	11%	0.105	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-30.8	-160.9	-144.1	-88.5	0	0	0	118.9	F502 L505 L530	F502-F511 HydrophobicContact CE1-CE1 4.44Å; F502-F511 HydrophobicContact CE2-CE1 4.34Å; F502-F511 HydrophobicContact CE2-CZ 4.4Å; F502-F511 HydrophobicContact CZ-CD1 4.41Å; F502-F511 AromaticContact CZ-CE1 3.62Å; F502-F511 HydrophobicContact CZ-CE1 3.62Å; F502-F511 AromaticContact CZ-CZ 3.96Å; F502-F511 HydrophobicContact CZ-CZ 3.96Å; L505-F511 HydrophobicContact CB-CE2 3.72Å; L505-F511 HydrophobicContact CB-CZ 3.93Å; L505-F511 VanDerWaalsContact O-CE2 3.32Å; L505-F511 WeakPolarHBondContact O-CE2 3.44Å; F511-L530 HydrophobicContact CE1-CB 4.2Å; F511-L530 HydrophobicContact CE1-CD1 4.31Å; F511-L530 HydrophobicContact CZ-CB 4.39Å; F511-L530 HydrophobicContact CZ-CD1 3.71Å
512	L	51.5	Low	55	Low	29 Å²	29	59.7 Å²	59.7	15%	0.152	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	6.6	-168.6	-73.1	-171.9	0	0	0	117	G510 S557	G510-L512 VanDerWaalsContact C-N 3.34Å; G510-L512 PolarHBondContact O-N 3.2Å; L512-S557 VanDerWaalsContact CD1-OG 3.24Å; L512-S557 WeakPolarHBondContact CD1-OG 3.15Å
513	H	48.3	Very low	54.1	Low	165 Å²	165	64 Å²	64	76%	0.764	40%	0.395	S	S	*	.			trans	-99	9.4	-175.3	-68.8	-66.9	0	0	0	115.4	T515	H513-T515 PolarHBondContact O-N 3.45Å
514	S	47.2	Very low	53.6	Low	45 Å²	45	63.9 Å²	63.9	32%	0.315	40%	0.397	S	S	.	.			trans	-72	115.7	173.1	60.3	0	0	0	0	111.4	A531 Q535	S514-A531 WeakPolarHBondContact OG-CB 3.19Å; S514-Q535 PolarHBondContact O-NE2 3.02Å; S514-Q535 VanDerWaalsContact O-NE2 3.09Å
515	T	41.7	Very low	53.7	Low	135 Å²	135	65.6 Å²	65.6	83%	0.828	41%	0.412	S	S	*	.			trans	-72.5	-34.6	-177.7	46.5	0	0	0	0	113.3	H513	H513-T515 PolarHBondContact O-N 3.45Å
516	C	41	Very low	53.8	Low	100 Å²	100	66.6 Å²	66.6	68%	0.676	42%	0.417	S	S	*	.			trans	-87.1	141.5	175.1	-158	0	0	0	0	111.4
517	G	46.9	Very low	54.5	Low	24 Å²	24	69.5 Å²	69.5	25%	0.247	43%	0.427	C	S	.	.			trans	-121.6	127.4	169.4	0	0	0	0	0	108.4
518	P	49.6	Very low	55.3	Low	33 Å²	33	67.4 Å²	67.4	21%	0.214	41%	0.411	C	S	.	.			trans	-78.1	167.4	-165.3	31.7	-37.8	0	0	0	114.2	C524	P518-C524 HydrophobicContact CB-CB 4.37Å; P518-C524 WeakPolarHBondContact CB-SG 3.37Å; P518-C524 HydrophobicContact CG-CB 4.06Å; P518-C524 VanDerWaalsContact CG-SG 3.57Å
519	A	57.2	Low	56.4	Low	46 Å²	46	63.9 Å²	63.9	38%	0.38	39%	0.394	S	S	.	.			trans	-69.9	151	169.9	0	0	0	0	0	111.2	A521 E522	A519-A521 PolarHBondContact O-N 3.24Å; A519-E522 HydrophobicContact CB-CG 4.15Å; A519-E522 PolarHBondContact N-OE2 3.4Å; A519-E522 PolarHBondContact O-N 3.35Å
520	P	54.3	Low	57.8	Low	59 Å²	59	58.7 Å²	58.7	38%	0.383	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-10.4	-173.7	-22.5	33.4	0	0	0	116.6	L466 L538	L466-P520 HydrophobicContact CD2-CB 4.3Å; P520-L538 HydrophobicContact CB-CD1 3.9Å; P520-L538 HydrophobicContact CG-CD1 3.98Å
521	A	51.3	Low	58.8	Low	91 Å²	91	56.5 Å²	56.5	75%	0.752	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.1	0.5	-176.8	0	0	0	0	0	113.6	A519	A519-A521 PolarHBondContact O-N 3.24Å
522	E	59.9	Low	60	Low	116 Å²	116	55.4 Å²	55.4	54%	0.542	34%	0.34	S	S	.	.	S	Bend	trans	-93.7	126.5	178.4	-70.5	176.7	149.7	0	0	110.2	A519 C524	A519-E522 HydrophobicContact CB-CG 4.15Å; A519-E522 PolarHBondContact N-OE2 3.4Å; A519-E522 PolarHBondContact O-N 3.35Å; E522-C524 PolarHBondContact O-N 3.04Å; E522-C524 PolarHBondContact O-SG 3.06Å
523	P	59.8	Low	61.3	Low	94 Å²	94	54.1 Å²	54.1	61%	0.61	33%	0.333	S	S	*	.			trans	-70.8	122.6	-179.9	30.2	-34.9	0	0	0	109.7	A463	A463-P523 HydrophobicContact CB-CB 4.01Å
524	C	64	Low	62.5	Low	28 Å²	28	46.8 Å²	46.8	19%	0.189	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-132.4	161.1	-168.3	-72.2	0	0	0	0	112.1	A463 Y464 P518 E522 L526	A463-C524 CarbonylContact C-O 3.59Å; A463-C524 WeakPolarHBondContact CA-O 3.4Å; Y464-C524 PolarHBondContact N-O 3.37Å; Y464-C524 PolarHBondContact O-N 3.06Å; Y464-C524 VanDerWaalsContact O-O 3.06Å; P518-C524 HydrophobicContact CB-CB 4.37Å; P518-C524 WeakPolarHBondContact CB-SG 3.37Å; P518-C524 HydrophobicContact CG-CB 4.06Å; P518-C524 VanDerWaalsContact CG-SG 3.57Å; E522-C524 PolarHBondContact O-N 3.04Å; E522-C524 PolarHBondContact O-SG 3.06Å; C524-L526 PolarHBondContact O-N 3.2Å
525	S	71.9	Confident	63.8	Low	64 Å²	64	47.3 Å²	47.3	45%	0.448	30%	0.296	S	S	.	.			trans	-57.4	142.2	171.1	69.1	0	0	0	0	110.4	R527 G528 L529	S525-R527 PolarHBondContact O-N 3.38Å; S525-G528 WeakPolarHBondContact O-CA 3.42Å; S525-G528 PolarHBondContact O-N 3.31Å; S525-G528 PolarHBondContact OG-N 3.5Å; S525-L529 PolarHBondContact O-N 3.34Å; S525-L529 VanDerWaalsContact O-N 3.08Å
526	L	73.1	Confident	65.6	Low	25 Å²	25	42.7 Å²	42.7	13%	0.131	27%	0.265	C	S	.	.	H	α-helix	trans	-46.5	-39.5	177.1	173	66.6	0	0	0	112.3	L457 Y464 L505 C524 L529 L530	L457-L526 HydrophobicContact CB-CD1 4.16Å; L457-L526 HydrophobicContact CB-CD2 3.8Å; L457-L526 HydrophobicContact CD1-CD1 4.41Å; L457-L526 HydrophobicContact CD2-CD1 3.83Å; L457-L526 HydrophobicContact CG-CD1 4.37Å; L457-L526 WeakPolarHBondContact O-CD2 3.47Å; Y464-L526 HydrophobicContact CD2-CB 4.11Å; Y464-L526 HydrophobicContact CE2-CB 4.35Å; L505-L526 HydrophobicContact CD2-CD2 4.47Å; C524-L526 PolarHBondContact O-N 3.2Å; L526-L529 PolarHBondContact O-N 2.81Å; L526-L530 HydrophobicContact CD1-CD1 3.85Å; L526-L530 HydrophobicContact CD1-CG 4.11Å; L526-L530 HydrophobicContact CG-CD1 3.92Å; L526-L530 HydrophobicContact CG-CG 4.49Å; L526-L530 WeakPolarHBondContact O-CB 3.38Å; L526-L530 WeakPolarHBondContact O-CG 3.47Å; L526-L530 PolarHBondContact O-N 2.94Å
527	R	71.3	Confident	67.3	Low	92 Å²	92	42.1 Å²	42.1	35%	0.347	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-44	177.5	-57.5	-178.8	-174.1	-166.7	1.9	112.3	D509 S525 A531	D509-R527 PolarHBondContact O-NH1 2.91Å; S525-R527 PolarHBondContact O-N 3.38Å; R527-A531 WeakPolarHBondContact O-CB 3.4Å; R527-A531 PolarHBondContact O-N 3.32Å
528	G	70.1	Confident	68.6	Low	11 Å²	11	41.2 Å²	41.2	11%	0.113	24%	0.24	C	C	.	.	H	α-helix	trans	-67.2	-36.1	176.6	0	0	0	0	0	113	S525 G532	S525-G528 WeakPolarHBondContact O-CA 3.42Å; S525-G528 PolarHBondContact O-N 3.31Å; S525-G528 PolarHBondContact OG-N 3.5Å; G528-G532 PolarHBondContact O-N 3.34Å
529	L	75.4	Confident	69.9	Low	5 Å²	5	40 Å²	40	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-65.9	-51.7	175.2	-165.5	170.8	0	0	0	110.8	G465 L469 S525 L526 G532 L533 L538	G465-L529 WeakPolarHBondContact O-CD1 3.5Å; L469-L529 HydrophobicContact CB-CD1 4.35Å; L469-L529 HydrophobicContact CD2-CD2 3.55Å; S525-L529 PolarHBondContact O-N 3.34Å; S525-L529 VanDerWaalsContact O-N 3.08Å; L526-L529 PolarHBondContact O-N 2.81Å; L529-G532 WeakPolarHBondContact O-CA 3.43Å; L529-G532 PolarHBondContact O-N 3.33Å; L529-G532 VanDerWaalsContact O-N 3.08Å; L529-L533 HydrophobicContact CD2-CD1 3.87Å; L529-L533 HydrophobicContact CD2-CG 4.41Å; L529-L533 PolarHBondContact O-N 2.8Å; L529-L533 VanDerWaalsContact O-N 3.07Å; L529-L538 HydrophobicContact CD2-CD2 3.77Å; L529-L538 HydrophobicContact CG-CD2 3.92Å
530	L	76.1	Confident	71.1	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.3	-43.6	176.9	-68.1	173.3	0	0	0	111.5	L499 L505 F511 L526 G532 L533 F534	L499-L530 HydrophobicContact CD1-CD2 3.71Å; L505-L530 HydrophobicContact CD1-CD1 3.74Å; F511-L530 HydrophobicContact CE1-CB 4.2Å; F511-L530 HydrophobicContact CE1-CD1 4.31Å; F511-L530 HydrophobicContact CZ-CB 4.39Å; F511-L530 HydrophobicContact CZ-CD1 3.71Å; L526-L530 HydrophobicContact CD1-CD1 3.85Å; L526-L530 HydrophobicContact CD1-CG 4.11Å; L526-L530 HydrophobicContact CG-CD1 3.92Å; L526-L530 HydrophobicContact CG-CG 4.49Å; L526-L530 WeakPolarHBondContact O-CB 3.38Å; L526-L530 WeakPolarHBondContact O-CG 3.47Å; L526-L530 PolarHBondContact O-N 2.94Å; L530-G532 PolarHBondContact O-N 3.14Å; L530-L533 HydrophobicContact CD2-CD1 4.3Å; L530-L533 PolarHBondContact O-N 2.72Å; L530-L533 VanDerWaalsContact O-N 3.1Å; L530-F534 WeakPolarHBondContact O-CD2 3.26Å; L530-F534 PolarHBondContact O-N 3.34Å
531	A	74.5	Confident	72.2	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-58.2	-37.1	171.8	0	0	0	0	0	111.9	S514 R527 F534 Q535	S514-A531 WeakPolarHBondContact OG-CB 3.19Å; R527-A531 WeakPolarHBondContact O-CB 3.4Å; R527-A531 PolarHBondContact O-N 3.32Å; A531-F534 PolarHBondContact O-N 3.42Å; A531-Q535 WeakPolarHBondContact O-CB 3.33Å; A531-Q535 WeakPolarHBondContact O-CG 3.45Å; A531-Q535 PolarHBondContact O-N 2.99Å
532	G	74.8	Confident	73.9	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-61.2	-39.7	173.3	0	0	0	0	0	113.8	G528 L529 L530 K537 L538	G528-G532 PolarHBondContact O-N 3.34Å; L529-G532 WeakPolarHBondContact O-CA 3.43Å; L529-G532 PolarHBondContact O-N 3.33Å; L529-G532 VanDerWaalsContact O-N 3.08Å; L530-G532 PolarHBondContact O-N 3.14Å; G532-K537 WeakPolarHBondContact O-CA 3.42Å; G532-K537 WeakPolarHBondContact O-CB 3.37Å; G532-K537 PolarHBondContact O-N 3.04Å; G532-L538 PolarHBondContact O-N 2.9Å
533	L	78.3	Confident	75.2	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-68.6	-51.6	174.2	-67.8	166.2	0	0	0	111.4	L469 L497 L529 L530 Q535 K536 L538 L539 L544	L469-L533 HydrophobicContact CD2-CD1 4Å; L497-L533 HydrophobicContact CD2-CD1 3.84Å; L497-L533 HydrophobicContact CD2-CD2 4.48Å; L529-L533 HydrophobicContact CD2-CD1 3.87Å; L529-L533 HydrophobicContact CD2-CG 4.41Å; L529-L533 PolarHBondContact O-N 2.8Å; L529-L533 VanDerWaalsContact O-N 3.07Å; L530-L533 HydrophobicContact CD2-CD1 4.3Å; L530-L533 PolarHBondContact O-N 2.72Å; L530-L533 VanDerWaalsContact O-N 3.1Å; L533-Q535 VanDerWaalsContact C-N 3.28Å; L533-Q535 PolarHBondContact O-N 3.47Å; L533-K536 PolarHBondContact O-N 3.15Å; L533-L538 HydrophobicContact CD2-CB 3.95Å; L533-L538 HydrophobicContact CD2-CD2 4.23Å; L533-L538 HydrophobicContact CD2-CG 4.18Å; L533-L538 HydrophobicContact CG-CB 4.22Å; L533-L538 HydrophobicContact CG-CD2 4.11Å; L533-L539 HydrophobicContact CD2-CB 4.2Å; L533-L539 HydrophobicContact CD2-CD1 4.3Å; L533-L539 HydrophobicContact CD2-CG 4.45Å; L533-L544 HydrophobicContact CB-CD2 4.32Å
534	F	74.3	Confident	76.6	Confident	12 Å²	12	28.9 Å²	28.9	5%	0.053	14%	0.139	C	C	.	.	H	α-helix	trans	-63.8	-29.2	179.3	-85.7	-98.7	0	0	0	113.5	F502 L530 A531 K536 L544 L546	F502-F534 HydrophobicContact CD2-CZ 4.43Å; F502-F534 HydrophobicContact CE1-CZ 4.05Å; F502-F534 AromaticContact CE2-CE2 3.53Å; F502-F534 HydrophobicContact CE2-CE2 3.53Å; F502-F534 AromaticContact CE2-CZ 3.67Å; F502-F534 HydrophobicContact CE2-CZ 3.67Å; F502-F534 HydrophobicContact CZ-CE1 4.48Å; F502-F534 AromaticContact CZ-CE2 3.54Å; F502-F534 HydrophobicContact CZ-CE2 3.54Å; F502-F534 AromaticContact CZ-CZ 3.43Å; F502-F534 HydrophobicContact CZ-CZ 3.43Å; F502-F534 VanDerWaalsContact CZ-CZ 3.43Å; L530-F534 WeakPolarHBondContact O-CD2 3.26Å; L530-F534 PolarHBondContact O-N 3.34Å; A531-F534 PolarHBondContact O-N 3.42Å; F534-K536 PolarHBondContact O-N 2.86Å; F534-L544 HydrophobicContact CD2-CD2 4.27Å; F534-L544 HydrophobicContact CE2-CD2 4.24Å; F534-L546 HydrophobicContact CE1-CD1 3.54Å; F534-L546 HydrophobicContact CE2-CD1 4.43Å; F534-L546 HydrophobicContact CE2-CD2 4.11Å; F534-L546 HydrophobicContact CZ-CD1 3.39Å; F534-L546 HydrophobicContact CZ-CD2 3.74Å; F534-L546 HydrophobicContact CZ-CG 4.22Å
535	Q	74.8	Confident	77.8	Confident	55 Å²	55	27.6 Å²	27.6	26%	0.257	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	8.1	173.9	-67.3	177.1	23.1	0	0	113.1	S514 A531 L533 K537	S514-Q535 PolarHBondContact O-NE2 3.02Å; S514-Q535 VanDerWaalsContact O-NE2 3.09Å; A531-Q535 WeakPolarHBondContact O-CB 3.33Å; A531-Q535 WeakPolarHBondContact O-CG 3.45Å; A531-Q535 PolarHBondContact O-N 2.99Å; L533-Q535 VanDerWaalsContact C-N 3.28Å; L533-Q535 PolarHBondContact O-N 3.47Å; Q535-K537 HydrophobicContact CB-CD 4.07Å; Q535-K537 HydrophobicContact CB-CG 4.12Å; Q535-K537 PolarHBondContact O-N 2.93Å; Q535-K537 VanDerWaalsContact O-N 3.14Å; Q535-K537 VanDerWaalsContact OE1-CE 3.24Å
536	K	79.5	Confident	78.6	Confident	39 Å²	39	24.9 Å²	24.9	17%	0.17	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	31.5	-177.9	-49.1	-172.7	-179.2	-158.5	0	112.9	E413 T414 L533 F534 R540 D562	E413-K536 HydrophobicContact CG-CD 3.86Å; E413-K536 IonicContact OE1-NZ 3.43Å; E413-K536 PolarHBondContact OE1-NZ 3.48Å; T414-K536 WeakPolarHBondContact O-CD 3.34Å; T414-K536 WeakPolarHBondContact O-CE 3.48Å; T414-K536 PolarHBondContact O-NZ 3.44Å; L533-K536 PolarHBondContact O-N 3.15Å; F534-K536 PolarHBondContact O-N 2.86Å; K536-R540 WeakPolarHBondContact O-CG 3.29Å; K536-R540 PolarHBondContact O-NE 3.3Å; K536-R540 VanDerWaalsContact O-NE 3.08Å; K536-D562 VanDerWaalsContact NZ-CG 3.26Å; K536-D562 IonicContact NZ-OD1 2.65Å; K536-D562 PolarHBondContact NZ-OD1 3.16Å; K536-D562 IonicContact NZ-OD2 3.51Å; K536-D562 PolarHBondContact NZ-OD2 2.6Å
537	K	75.4	Confident	79.3	Confident	87 Å²	87	23.7 Å²	23.7	38%	0.378	10%	0.104	S	C	.	.			trans	-95.6	-41.5	177.9	-70.7	175.9	178	171.7	0	111.4	G532 Q535	G532-K537 WeakPolarHBondContact O-CA 3.42Å; G532-K537 WeakPolarHBondContact O-CB 3.37Å; G532-K537 PolarHBondContact O-N 3.04Å; Q535-K537 HydrophobicContact CB-CD 4.07Å; Q535-K537 HydrophobicContact CB-CG 4.12Å; Q535-K537 PolarHBondContact O-N 2.93Å; Q535-K537 VanDerWaalsContact O-N 3.14Å; Q535-K537 VanDerWaalsContact OE1-CE 3.24Å
538	L	75.9	Confident	79.9	Confident	5 Å²	5	19.4 Å²	19.4	3%	0.026	9%	0.088	C	C	.	.	S	Bend	trans	-94.5	145.5	179.6	-159.3	61.7	0	0	0	110.6	L466 P520 L529 G532 L533 R540	L466-L538 HydrophobicContact CB-CD2 4.41Å; L466-L538 HydrophobicContact CD1-CD2 3.91Å; L466-L538 HydrophobicContact CD1-CG 4.19Å; L466-L538 HydrophobicContact CD2-CD1 3.94Å; L466-L538 HydrophobicContact CD2-CD2 4.49Å; L466-L538 HydrophobicContact CD2-CG 4.05Å; L466-L538 HydrophobicContact CG-CD2 4.49Å; P520-L538 HydrophobicContact CB-CD1 3.9Å; P520-L538 HydrophobicContact CG-CD1 3.98Å; L529-L538 HydrophobicContact CD2-CD2 3.77Å; L529-L538 HydrophobicContact CG-CD2 3.92Å; G532-L538 PolarHBondContact O-N 2.9Å; L533-L538 HydrophobicContact CD2-CB 3.95Å; L533-L538 HydrophobicContact CD2-CD2 4.23Å; L533-L538 HydrophobicContact CD2-CG 4.18Å; L533-L538 HydrophobicContact CG-CB 4.22Å; L533-L538 HydrophobicContact CG-CD2 4.11Å; L538-R540 PolarHBondContact O-N 3.06Å
539	L	77.3	Confident	80.4	Confident	8 Å²	8	20.4 Å²	20.4	4%	0.042	9%	0.089	C	C	.	.	S	Bend	trans	45.3	50.3	-175	-70.1	179.1	0	0	0	114.8	T414 L466 I488 L489 P492 L533 G541 C542	T414-L539 PolarHBondContact OG1-O 3.06Å; T414-L539 VanDerWaalsContact OG1-O 3.09Å; L466-L539 HydrophobicContact CD1-CD1 3.99Å; L466-L539 HydrophobicContact CD1-CG 4.14Å; L466-L539 HydrophobicContact CD2-CD1 4.49Å; L466-L539 HydrophobicContact CD2-CD2 3.88Å; L466-L539 HydrophobicContact CD2-CG 3.86Å; I488-L539 HydrophobicContact CG2-CD2 4.28Å; L489-L539 HydrophobicContact CD2-CD2 4.06Å; P492-L539 HydrophobicContact CB-CD2 4.46Å; L533-L539 HydrophobicContact CD2-CB 4.2Å; L533-L539 HydrophobicContact CD2-CD1 4.3Å; L533-L539 HydrophobicContact CD2-CG 4.45Å; L539-G541 PolarHBondContact O-N 2.92Å; L539-C542 HydrophobicContact CB-CB 4.17Å; L539-C542 WeakPolarHBondContact O-CB 3.49Å; L539-C542 PolarHBondContact O-N 3.23Å; L539-C542 PolarHBondContact O-SG 2.9Å
540	R	80.8	Confident	80.1	Confident	157 Å²	157	22 Å²	22	59%	0.592	10%	0.099	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	109.9	-177.5	-82.2	-179	167.6	171.3	-2.1	113.7	R412 T414 P492 K536 L538	R412-R540 CarbonylContact O-C 3.53Å; T414-R540 WeakPolarHBondContact OG1-CA 3.49Å; P492-R540 WeakPolarHBondContact CG-O 3.34Å; K536-R540 WeakPolarHBondContact O-CG 3.29Å; K536-R540 PolarHBondContact O-NE 3.3Å; K536-R540 VanDerWaalsContact O-NE 3.08Å; L538-R540 PolarHBondContact O-N 3.06Å
541	G	78.7	Confident	79.6	Confident	5 Å²	5	23.8 Å²	23.8	5%	0.052	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	116.5	-15.2	179.3	0	0	0	0	0	114.9	R412 E413 T414 D493 L539	R412-G541 PolarHBondContact O-N 3.14Å; E413-G541 WeakPolarHBondContact O-CA 3.48Å; T414-G541 PolarHBondContact OG1-N 3.47Å; D493-G541 WeakPolarHBondContact CA-O 3.37Å; L539-G541 PolarHBondContact O-N 2.92Å
542	C	87	Confident	79	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-69.6	168.1	-176.9	76.3	0	0	0	0	113.4	T414 R415 P492 V495 L539	T414-C542 WeakPolarHBondContact CA-O 3.29Å; R415-C542 PolarHBondContact N-O 3.48Å; P492-C542 WeakPolarHBondContact O-CA 3.34Å; P492-C542 WeakPolarHBondContact O-CB 3.39Å; P492-C542 PolarHBondContact O-N 3.26Å; V495-C542 HydrophobicContact CB-CB 4.28Å; V495-C542 WeakPolarHBondContact O-CB 3.39Å; L539-C542 HydrophobicContact CB-CB 4.17Å; L539-C542 WeakPolarHBondContact O-CB 3.49Å; L539-C542 PolarHBondContact O-N 3.23Å; L539-C542 PolarHBondContact O-SG 2.9Å
543	T	87.4	Confident	78.3	Confident	11 Å²	11	31.5 Å²	31.5	7%	0.067	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	119.3	165.2	-53.5	0	0	0	0	109.2	I417 Y446 V495 L496 L497	I417-T543 HydrophobicContact CD1-CG2 3.69Å; I417-T543 HydrophobicContact CG1-CG2 4.29Å; Y446-T543 WeakPolarHBondContact CE1-OG1 3.46Å; Y446-T543 WeakPolarHBondContact OH-CB 3.38Å; Y446-T543 PolarHBondContact OH-OG1 3.29Å; V495-T543 PolarHBondContact O-N 3.23Å; L496-T543 WeakPolarHBondContact CA-O 3.4Å; L496-T543 HydrophobicContact CD1-CG2 3.68Å; L497-T543 PolarHBondContact N-O 3.41Å
544	L	88	Confident	77.6	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	123.1	167.8	179.9	63.9	0	0	0	108.4	R415 V416 I417 L497 L499 L533 F534 L546	R415-L544 PolarHBondContact O-N 3.43Å; V416-L544 WeakPolarHBondContact CA-O 3.47Å; V416-L544 HydrophobicContact CG1-CD2 4.39Å; V416-L544 HydrophobicContact CG2-CB 4.44Å; V416-L544 HydrophobicContact CG2-CD2 4.24Å; I417-L544 PolarHBondContact N-O 3.14Å; L497-L544 HydrophobicContact CB-CD1 4.31Å; L497-L544 HydrophobicContact CD2-CD1 4.03Å; L497-L544 HydrophobicContact CG-CD1 4.03Å; L497-L544 CarbonylContact O-C 3.32Å; L497-L544 WeakPolarHBondContact O-CA 3.47Å; L499-L544 HydrophobicContact CD1-CD1 3.99Å; L499-L544 HydrophobicContact CG-CD1 4.05Å; L533-L544 HydrophobicContact CB-CD2 4.32Å; F534-L544 HydrophobicContact CD2-CD2 4.27Å; F534-L544 HydrophobicContact CE2-CD2 4.24Å; L544-L546 HydrophobicContact CD1-CD2 4.08Å; L544-L546 HydrophobicContact CD2-CD2 4.08Å; L544-L546 HydrophobicContact CG-CD2 3.89Å; L544-L546 HydrophobicContact CG-CG 4.3Å
545	L	89.2	Confident	77.1	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125.3	176.9	177.3	60.5	0	0	0	108.7	I417 V419 W430 V434 L496 L497 I498 L499	I417-L545 HydrophobicContact CB-CD1 3.87Å; I417-L545 HydrophobicContact CG2-CD1 3.85Å; I417-L545 WeakPolarHBondContact O-CA 3.42Å; V419-L545 HydrophobicContact CG2-CD1 3.98Å; W430-L545 HydrophobicContact CH2-CD1 4.47Å; W430-L545 HydrophobicContact CH2-CD2 4.23Å; W430-L545 HydrophobicContact CZ3-CD1 4.26Å; W430-L545 HydrophobicContact CZ3-CD2 3.93Å; V434-L545 HydrophobicContact CG2-CD2 4.35Å; L496-L545 HydrophobicContact CD1-CB 3.95Å; L496-L545 HydrophobicContact CD1-CD2 4.5Å; L497-L545 PolarHBondContact O-N 3.1Å; I498-L545 CarbonylContact C-O 3.52Å; I498-L545 VanDerWaalsContact CA-O 3.3Å; I498-L545 WeakPolarHBondContact CA-O 3.48Å; I498-L545 HydrophobicContact CD1-CD2 4.17Å; I498-L545 HydrophobicContact CG1-CB 4.33Å; I498-L545 HydrophobicContact CG1-CD2 4.1Å; I498-L545 HydrophobicContact CG2-CB 4.37Å; I498-L545 HydrophobicContact CG2-CD2 4.11Å; I498-L545 HydrophobicContact CG2-CG 4.15Å; L499-L545 PolarHBondContact N-O 2.84Å
546	L	88.1	Confident	76.6	Confident	7 Å²	7	33.4 Å²	33.4	4%	0.037	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133.5	-176.5	-53.3	169.2	0	0	0	108.7	V416 I417 A418 V419 L499 F502 F534 L544	V416-L546 HydrophobicContact CG1-CD1 3.8Å; I417-L546 PolarHBondContact O-N 2.98Å; A418-L546 CarbonylContact C-O 3.43Å; A418-L546 WeakPolarHBondContact CA-O 3.49Å; A418-L546 HydrophobicContact CB-CB 4.25Å; A418-L546 HydrophobicContact CB-CD1 4.43Å; V419-L546 PolarHBondContact N-O 2.89Å; L499-L546 HydrophobicContact CB-CD2 4.08Å; L499-L546 HydrophobicContact CD1-CD2 3.92Å; L499-L546 HydrophobicContact CG-CD2 4.29Å; F502-L546 HydrophobicContact CD2-CD2 4.21Å; F534-L546 HydrophobicContact CE1-CD1 3.54Å; F534-L546 HydrophobicContact CE2-CD1 4.43Å; F534-L546 HydrophobicContact CE2-CD2 4.11Å; F534-L546 HydrophobicContact CZ-CD1 3.39Å; F534-L546 HydrophobicContact CZ-CD2 3.74Å; F534-L546 HydrophobicContact CZ-CG 4.22Å; L544-L546 HydrophobicContact CD1-CD2 4.08Å; L544-L546 HydrophobicContact CD2-CD2 4.08Å; L544-L546 HydrophobicContact CG-CD2 3.89Å; L544-L546 HydrophobicContact CG-CG 4.3Å
547	T	88.4	Confident	76	Confident	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	136.4	161.1	94	0	0	0	0	110	V419 A431 L499 D500 G501 F502	V419-T547 WeakPolarHBondContact O-CA 3.11Å; A431-T547 HydrophobicContact CB-CG2 4.02Å; L499-T547 PolarHBondContact O-N 3.45Å; D500-T547 WeakPolarHBondContact CA-OG1 3.5Å; D500-T547 HydrophobicContact CB-CG2 4.49Å; D500-T547 WeakPolarHBondContact OD1-CB 3.08Å; D500-T547 WeakPolarHBondContact OD1-CG2 3.43Å; D500-T547 PolarHBondContact OD1-OG1 3.11Å; G501-T547 PolarHBondContact N-O 3.01Å; G501-T547 PolarHBondContact N-OG1 3.48Å; F502-T547 WeakPolarHBondContact CB-O 3.49Å; F502-T547 PolarHBondContact N-O 3.42Å
548	A	84.5	Confident	75.7	Confident	2 Å²	2	28.2 Å²	28.2	2%	0.017	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	164	-179.6	0	0	0	0	0	114.6	V419 L420 G421 K427 F502 E503 L554	V419-A548 PolarHBondContact O-N 2.88Å; L420-A548 WeakPolarHBondContact CA-O 3.25Å; L420-A548 HydrophobicContact CD2-CB 3.9Å; G421-A548 PolarHBondContact N-O 3.39Å; K427-A548 VanDerWaalsContact CD-O 3.29Å; K427-A548 WeakPolarHBondContact CD-O 3.44Å; K427-A548 VanDerWaalsContact CE-C 3.43Å; K427-A548 WeakPolarHBondContact CE-O 3.47Å; K427-A548 PolarHBondContact NZ-O 3.47Å; F502-A548 HydrophobicContact CB-CB 4.34Å; E503-A548 WeakPolarHBondContact OE2-CA 3.49Å; A548-L554 HydrophobicContact CB-CD1 4.36Å; A548-L554 HydrophobicContact CB-CD2 3.5Å; A548-L554 VanDerWaalsContact CB-CD2 3.5Å
549	R	79.4	Confident	75.3	Confident	32 Å²	32	31.1 Å²	31.1	12%	0.121	16%	0.157	C	C	.	.			trans	-85	129.1	158.5	-86.7	175.3	-74.4	174.2	-4	110.1	G421 E503 R551 L554	G421-R549 WeakPolarHBondContact O-CG 3.17Å; E503-R549 HydrophobicContact CG-CB 4.46Å; E503-R549 IonicContact OE1-CZ 2.72Å; E503-R549 IonicContact OE1-NE 3.34Å; E503-R549 PolarHBondContact OE1-NE 3.33Å; E503-R549 IonicContact OE1-NH2 2.73Å; E503-R549 PolarHBondContact OE1-NH2 2.89Å; E503-R549 PolarHBondContact OE2-N 3.45Å; R549-R551 HydrophobicContact CB-CG 4.46Å; R549-R551 PolarHBondContact O-N 3.03Å; R549-L554 VanDerWaalsContact O-CD2 3.27Å; R549-L554 WeakPolarHBondContact O-CD2 3.41Å
550	P	69.8	Low	75	Confident	39 Å²	39	35.3 Å²	35.3	25%	0.253	18%	0.175	S	C	.	.	S	Bend	trans	-71.3	92	177	29	-33.3	0	0	0	110.6	L383 L420	L383-P550 HydrophobicContact CD1-CB 3.7Å; L383-P550 HydrophobicContact CD1-CG 3.94Å; L383-P550 HydrophobicContact CG-CB 4.07Å; L420-P550 HydrophobicContact CB-CG 4.42Å; L420-P550 HydrophobicContact CD1-CB 4.44Å
551	R	66.3	Low	74.8	Confident	38 Å²	38	28.9 Å²	28.9	14%	0.143	16%	0.156	C	C	.	.			trans	-149.2	165.2	-176.1	-70.6	-160.7	166.8	128.1	33.5	112.6	R549 L554 N750 E753	R549-R551 HydrophobicContact CB-CG 4.46Å; R549-R551 PolarHBondContact O-N 3.03Å; R551-L554 WeakPolarHBondContact O-CB 3.49Å; R551-L554 PolarHBondContact O-N 3.04Å; R551-N750 WeakPolarHBondContact CD-OD1 3.37Å; R551-N750 PolarHBondContact NH1-O 2.67Å; R551-E753 IonicContact CZ-OE1 3.66Å; R551-E753 IonicContact CZ-OE2 2.74Å; R551-E753 IonicContact NH1-OE2 3.71Å; R551-E753 PolarHBondContact NH1-OE2 3.2Å; R551-E753 IonicContact NH2-OE1 3.78Å; R551-E753 PolarHBondContact NH2-OE1 3.49Å; R551-E753 IonicContact NH2-OE2 3.47Å; R551-E753 PolarHBondContact NH2-OE2 3.05Å
552	G	61.4	Low	74.8	Confident	41 Å²	41	32.2 Å²	32.2	42%	0.423	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	-140.4	163.6	0	0	0	0	0	114.4	L554	G552-L554 VanDerWaalsContact C-N 3.3Å
553	R	59.1	Low	74.5	Confident	122 Å²	122	32.7 Å²	32.7	46%	0.46	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-11	178.4	-54.5	179	-176.3	141.5	-11.1	112	E506 D509 V555 Q556	E506-R553 WeakPolarHBondContact OE1-CA 3.32Å; E506-R553 WeakPolarHBondContact OE1-CB 3.22Å; E506-R553 PolarHBondContact OE1-N 3.25Å; D509-R553 IonicContact OD1-CZ 2.81Å; D509-R553 IonicContact OD1-NH1 3.19Å; D509-R553 PolarHBondContact OD1-NH1 2.91Å; D509-R553 IonicContact OD1-NH2 2.73Å; D509-R553 PolarHBondContact OD1-NH2 2.92Å; R553-V555 PolarHBondContact O-N 3.38Å; R553-Q556 VanDerWaalsContact O-CB 3.31Å; R553-Q556 WeakPolarHBondContact O-CB 3.32Å; R553-Q556 PolarHBondContact O-N 3.45Å
554	L	64.6	Low	74.3	Confident	4 Å²	4	32.9 Å²	32.9	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-45.1	-39.6	173.8	-164.4	75	0	0	0	111.9	L420 F502 E506 A548 R549 R551 G552 Q556 S557 L558	L420-L554 HydrophobicContact CD2-CD2 4.27Å; F502-L554 HydrophobicContact CD1-CD1 3.51Å; F502-L554 HydrophobicContact CE1-CD1 3.84Å; E506-L554 VanDerWaalsContact CD-N 3.3Å; E506-L554 PolarHBondContact OE1-N 3.45Å; E506-L554 WeakPolarHBondContact OE2-CA 3.45Å; E506-L554 WeakPolarHBondContact OE2-CB 3.37Å; E506-L554 PolarHBondContact OE2-N 3.11Å; A548-L554 HydrophobicContact CB-CD1 4.36Å; A548-L554 HydrophobicContact CB-CD2 3.5Å; A548-L554 VanDerWaalsContact CB-CD2 3.5Å; R549-L554 VanDerWaalsContact O-CD2 3.27Å; R549-L554 WeakPolarHBondContact O-CD2 3.41Å; R551-L554 WeakPolarHBondContact O-CB 3.49Å; R551-L554 PolarHBondContact O-N 3.04Å; G552-L554 VanDerWaalsContact C-N 3.3Å; L554-Q556 PolarHBondContact O-N 3.03Å; L554-S557 CarbonylContact O-C 3.54Å; L554-S557 VanDerWaalsContact O-CA 3.28Å; L554-S557 WeakPolarHBondContact O-CA 2.9Å; L554-S557 WeakPolarHBondContact O-CB 3.37Å; L554-S557 PolarHBondContact O-N 3.26Å; L554-L558 HydrophobicContact CD2-CD1 3.85Å; L554-L558 HydrophobicContact CD2-CG 4.3Å; L554-L558 HydrophobicContact CG-CD1 4.02Å; L554-L558 HydrophobicContact CG-CG 4.03Å; L554-L558 WeakPolarHBondContact O-CG 3.46Å; L554-L558 PolarHBondContact O-N 2.89Å
555	V	63.6	Low	74.2	Confident	13 Å²	13	33.3 Å²	33.3	8%	0.079	18%	0.179	C	C	.	.	H	α-helix	trans	-65.2	-24.9	-175.9	-163.6	0	0	0	0	112.7	L371 R381 R553 S559	L371-V555 HydrophobicContact CD1-CG1 3.31Å; L371-V555 HydrophobicContact CD2-CG1 4.18Å; L371-V555 HydrophobicContact CG-CG1 4.4Å; R381-V555 HydrophobicContact CB-CG1 3.77Å; R381-V555 WeakPolarHBondContact O-CG1 3.34Å; R553-V555 PolarHBondContact O-N 3.38Å; V555-S559 PolarHBondContact O-N 3.41Å
556	Q	64.8	Low	74	Confident	92 Å²	92	34.3 Å²	34.3	43%	0.43	18%	0.183	S	C	.	.	H	α-helix	trans	-75.3	-26.8	170.7	-53.9	178.6	-3.9	0	0	112	R553 L554 S559	R553-Q556 VanDerWaalsContact O-CB 3.31Å; R553-Q556 WeakPolarHBondContact O-CB 3.32Å; R553-Q556 PolarHBondContact O-N 3.45Å; L554-Q556 PolarHBondContact O-N 3.03Å; Q556-S559 PolarHBondContact O-OG 3.2Å
557	S	65.6	Low	73.9	Confident	9 Å²	9	34 Å²	34	6%	0.063	18%	0.182	C	C	.	.	H	α-helix	trans	-75.8	-41	170.1	-44.4	0	0	0	0	111.8	L512 L554 S559 K560	L512-S557 VanDerWaalsContact CD1-OG 3.24Å; L512-S557 WeakPolarHBondContact CD1-OG 3.15Å; L554-S557 CarbonylContact O-C 3.54Å; L554-S557 VanDerWaalsContact O-CA 3.28Å; L554-S557 WeakPolarHBondContact O-CA 2.9Å; L554-S557 WeakPolarHBondContact O-CB 3.37Å; L554-S557 PolarHBondContact O-N 3.26Å; S557-S559 VanDerWaalsContact C-N 3.27Å; S557-S559 PolarHBondContact O-N 2.86Å; S557-K560 WeakPolarHBondContact O-CB 3.17Å; S557-K560 PolarHBondContact O-N 2.98Å; S557-K560 VanDerWaalsContact O-N 3.08Å
558	L	69.9	Low	73.3	Confident	7 Å²	7	35.1 Å²	35.1	4%	0.037	19%	0.189	C	C	.	.	H	α-helix	trans	-67	-22.6	-176.2	-68.7	173.2	0	0	0	113.5	A418 L420 L554 K560 A561 L564	A418-L558 HydrophobicContact CB-CD2 3.45Å; A418-L558 VanDerWaalsContact CB-CD2 3.45Å; L420-L558 HydrophobicContact CD1-CD1 3.73Å; L420-L558 HydrophobicContact CD2-CD1 4.12Å; L420-L558 HydrophobicContact CD2-CD2 4.27Å; L554-L558 HydrophobicContact CD2-CD1 3.85Å; L554-L558 HydrophobicContact CD2-CG 4.3Å; L554-L558 HydrophobicContact CG-CD1 4.02Å; L554-L558 HydrophobicContact CG-CG 4.03Å; L554-L558 WeakPolarHBondContact O-CG 3.46Å; L554-L558 PolarHBondContact O-N 2.89Å; L558-K560 PolarHBondContact O-N 3.5Å; L558-A561 WeakPolarHBondContact O-CB 3.29Å; L558-A561 PolarHBondContact O-N 2.91Å; L558-L564 HydrophobicContact CB-CD2 4.2Å; L558-L564 HydrophobicContact CD2-CD2 3.84Å; L558-L564 HydrophobicContact CG-CD2 4.47Å
559	S	67.6	Low	73.2	Confident	67 Å²	67	35.1 Å²	35.1	47%	0.469	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	3.2	171.6	78	0	0	0	0	114	V555 Q556 S557	V555-S559 PolarHBondContact O-N 3.41Å; Q556-S559 PolarHBondContact O-OG 3.2Å; S557-S559 VanDerWaalsContact C-N 3.27Å; S557-S559 PolarHBondContact O-N 2.86Å
560	K	69.9	Low	73.6	Confident	95 Å²	95	34 Å²	34	41%	0.413	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	3.3	170.2	-57	178.8	-177.8	176.5	0	113	S557 L558	S557-K560 WeakPolarHBondContact O-CB 3.17Å; S557-K560 PolarHBondContact O-N 2.98Å; S557-K560 VanDerWaalsContact O-N 3.08Å; L558-K560 PolarHBondContact O-N 3.5Å
561	A	77.6	Confident	74.3	Confident	23 Å²	23	34.2 Å²	34.2	19%	0.19	19%	0.189	C	C	.	.			trans	-81.5	139.8	174.2	0	0	0	0	0	110.5	V416 L558 L564	V416-A561 HydrophobicContact CG1-CB 4.13Å; L558-A561 WeakPolarHBondContact O-CB 3.29Å; L558-A561 PolarHBondContact O-N 2.91Å; A561-L564 HydrophobicContact CB-CD2 3.67Å
562	D	77.8	Confident	75.1	Confident	74 Å²	74	35.9 Å²	35.9	40%	0.396	20%	0.199	S	C	.	.	S	Bend	trans	-80.9	-20.9	179.3	-52	-62.2	0	0	0	111.9	R415 V416 K536	R415-D562 VanDerWaalsContact CA-OD2 3.28Å; R415-D562 WeakPolarHBondContact CA-OD2 3.4Å; V416-D562 PolarHBondContact N-OD2 2.91Å; V416-D562 PolarHBondContact O-N 2.9Å; K536-D562 VanDerWaalsContact NZ-CG 3.26Å; K536-D562 IonicContact NZ-OD1 2.65Å; K536-D562 PolarHBondContact NZ-OD1 3.16Å; K536-D562 IonicContact NZ-OD2 3.51Å; K536-D562 PolarHBondContact NZ-OD2 2.6Å
563	A	81.4	Confident	76.3	Confident	10 Å²	10	40.1 Å²	40.1	8%	0.083	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	140.6	172.1	0	0	0	0	0	111.8	A405 V416 I417 A418 F565	A405-A563 HydrophobicContact CB-CB 4.46Å; V416-A563 PolarHBondContact O-N 2.74Å; I417-A563 WeakPolarHBondContact CA-O 3.43Å; I417-A563 HydrophobicContact CG2-CB 4.45Å; A418-A563 PolarHBondContact N-O 3.24Å; A563-F565 HydrophobicContact CB-CE2 3.91Å
564	L	83.8	Confident	77.7	Confident	16 Å²	16	36.1 Å²	36.1	8%	0.084	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	141.1	174.9	-58.9	179	0	0	0	109.8	A369 L371 A418 L558 A561	A369-L564 HydrophobicContact CB-CB 4.05Å; A369-L564 PolarHBondContact N-O 2.84Å; L371-L564 HydrophobicContact CB-CD1 4.27Å; A418-L564 HydrophobicContact CB-CD2 3.82Å; L558-L564 HydrophobicContact CB-CD2 4.2Å; L558-L564 HydrophobicContact CD2-CD2 3.84Å; L558-L564 HydrophobicContact CG-CD2 4.47Å; A561-L564 HydrophobicContact CB-CD2 3.67Å
565	F	84.5	Confident	78.8	Confident	8 Å²	8	36 Å²	36	4%	0.035	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	145.7	173.2	-64.2	-92.5	0	0	0	109.8	L366 V367 Q368 V401 A404 I417 A418 V419 L420 A563	L366-F565 HydrophobicContact CB-CB 4.41Å; L366-F565 HydrophobicContact CB-CD1 4.31Å; L366-F565 HydrophobicContact CD2-CB 4.22Å; V367-F565 CarbonylContact O-C 3.47Å; V367-F565 VanDerWaalsContact O-CA 3.25Å; V367-F565 WeakPolarHBondContact O-CA 3.36Å; Q368-F565 HydrophobicContact CB-CD1 4.3Å; Q368-F565 HydrophobicContact CB-CE1 4.22Å; Q368-F565 HydrophobicContact CG-CE1 4.43Å; V401-F565 HydrophobicContact CB-CE2 4.47Å; V401-F565 HydrophobicContact CB-CZ 4.39Å; V401-F565 HydrophobicContact CG1-CD2 3.99Å; V401-F565 HydrophobicContact CG1-CE2 3.84Å; V401-F565 HydrophobicContact CG1-CZ 4.25Å; V401-F565 HydrophobicContact CG2-CD1 4.26Å; V401-F565 HydrophobicContact CG2-CE1 4.14Å; V401-F565 HydrophobicContact CG2-CZ 4.32Å; A404-F565 HydrophobicContact CB-CZ 4.39Å; I417-F565 HydrophobicContact CG2-CD2 3.94Å; I417-F565 HydrophobicContact CG2-CE2 3.98Å; A418-F565 PolarHBondContact O-N 3.23Å; V419-F565 HydrophobicContact CG2-CB 4.37Å; L420-F565 WeakPolarHBondContact CB-O 3.46Å; L420-F565 PolarHBondContact N-O 3.43Å; A563-F565 HydrophobicContact CB-CE2 3.91Å
566	E	85.4	Confident	80.1	Confident	21 Å²	21	37.7 Å²	37.7	10%	0.098	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.2	164.1	-171.1	175.4	-142.1	0	0	109.7	V367 A369 L420 R840	V367-E566 PolarHBondContact N-O 3.26Å; V367-E566 PolarHBondContact O-N 3.06Å; A369-E566 HydrophobicContact CB-CB 4.42Å; L420-E566 CarbonylContact O-C 3.51Å; L420-E566 WeakPolarHBondContact O-CA 3.34Å; E566-R840 VanDerWaalsContact CD-CZ 3.45Å; E566-R840 IonicContact OE1-CZ 3.04Å; E566-R840 IonicContact OE1-NE 3.78Å; E566-R840 IonicContact OE1-NH1 2.74Å; E566-R840 PolarHBondContact OE1-NH1 3.15Å; E566-R840 IonicContact OE2-CZ 3.68Å; E566-R840 IonicContact OE2-NE 2.69Å; E566-R840 PolarHBondContact OE2-NE 3.34Å; E566-R840 VanDerWaalsContact OE2-NE 3.12Å; E566-R840 IonicContact OE2-NH1 3.19Å; E566-R840 PolarHBondContact OE2-NH1 3.45Å; E566-R840 VanDerWaalsContact OE2-NH1 3.12Å; E566-R840 IonicContact OE2-NH2 2.76Å; E566-R840 PolarHBondContact OE2-NH2 3.31Å
567	L	85.8	Confident	81.3	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	116.2	177.8	-169.6	150.8	0	0	0	108.8	V364 L366 V419 L420 Q425 W430 G569	V364-L567 HydrophobicContact CB-CD2 4.14Å; V364-L567 HydrophobicContact CG1-CD2 3.57Å; V364-L567 HydrophobicContact CG1-CG 4.15Å; L366-L567 HydrophobicContact CG-CG 4.46Å; V419-L567 HydrophobicContact CG1-CB 4.27Å; V419-L567 HydrophobicContact CG1-CD1 4.33Å; L420-L567 PolarHBondContact O-N 3.33Å; Q425-L567 HydrophobicContact CB-CD2 4.01Å; Q425-L567 WeakPolarHBondContact O-CD2 3.06Å; W430-L567 HydrophobicContact CB-CD1 3.83Å; W430-L567 HydrophobicContact CG-CD1 3.96Å; L567-G569 PolarHBondContact O-N 2.79Å
568	S	76.2	Confident	82.5	Confident	23 Å²	23	34.8 Å²	34.8	16%	0.161	19%	0.193	C	C	.	.			trans	-64.2	-41.7	-159.6	60.2	0	0	0	0	113.5	D365 Q425 H610	D365-S568 PolarHBondContact O-N 3.24Å; D365-S568 PolarHBondContact O-OG 3.2Å; D365-S568 VanDerWaalsContact O-OG 3.08Å; Q425-S568 PolarHBondContact NE2-O 3.01Å; Q425-S568 VanDerWaalsContact NE2-O 3.11Å; S568-H610 PolarHBondContact O-CE1 3.36Å; S568-H610 PolarHBondContact O-NE2 2.82Å
569	G	83.6	Confident	83.4	Confident	3 Å²	3	34.7 Å²	34.7	3%	0.031	19%	0.193	C	C	.	.			trans	96.8	165.8	-163.8	0	0	0	0	0	111.3	Q425 L567 H610	Q425-G569 VanDerWaalsContact NE2-CA 3.3Å; L567-G569 PolarHBondContact O-N 2.79Å; G569-H610 CarbonylContact C-O 3.33Å; G569-H610 WeakPolarHBondContact CA-O 3.38Å
570	F	87.3	Confident	84.4	Confident	8 Å²	8	33.9 Å²	33.9	4%	0.035	18%	0.182	C	C	.	.			trans	-63.3	137.7	-177.8	-70.8	-27	0	0	0	112.2	V362 V364 Q574 A575 Y578 H610 P612 C615	V362-F570 HydrophobicContact CB-CE1 3.67Å; V362-F570 HydrophobicContact CB-CZ 3.93Å; V362-F570 HydrophobicContact CG1-CD1 4.01Å; V362-F570 HydrophobicContact CG1-CE1 3.52Å; V362-F570 HydrophobicContact CG1-CZ 4.15Å; V364-F570 HydrophobicContact CG2-CD1 3.75Å; V364-F570 HydrophobicContact CG2-CE1 3.59Å; F570-Q574 HydrophobicContact CB-CB 4.02Å; F570-Q574 HydrophobicContact CD1-CB 4.06Å; F570-Q574 HydrophobicContact CG-CB 4.23Å; F570-A575 HydrophobicContact CB-CB 4.17Å; F570-A575 HydrophobicContact CD2-CB 4.41Å; F570-Y578 HydrophobicContact CE2-CD1 4.42Å; F570-Y578 HydrophobicContact CE2-CD2 4.03Å; F570-Y578 AromaticContact CE2-CG 3.83Å; F570-Y578 HydrophobicContact CE2-CG 3.83Å; F570-Y578 AromaticContact CZ-CD2 3.93Å; F570-Y578 HydrophobicContact CZ-CD2 3.93Å; F570-Y578 HydrophobicContact CZ-CG 4.18Å; F570-H610 PolarHBondContact N-O 3.49Å; F570-H610 PolarHBondContact O-ND1 3.11Å; F570-P612 HydrophobicContact CD1-CG 4.04Å; F570-P612 HydrophobicContact CD2-CB 4.23Å; F570-P612 HydrophobicContact CD2-CG 3.93Å; F570-P612 HydrophobicContact CE1-CB 4.35Å; F570-P612 HydrophobicContact CE1-CG 3.8Å; F570-P612 HydrophobicContact CE2-CB 3.63Å; F570-P612 HydrophobicContact CE2-CG 3.73Å; F570-P612 HydrophobicContact CG-CG 4.09Å; F570-P612 HydrophobicContact CZ-CB 3.7Å; F570-P612 HydrophobicContact CZ-CG 3.65Å; F570-C615 HydrophobicContact CD2-CB 4.32Å; F570-C615 HydrophobicContact CE2-CB 4.3Å
571	S	85	Confident	85.4	Confident	44 Å²	44	34.8 Å²	34.8	31%	0.308	18%	0.183	S	C	.	.			trans	-66.2	170.4	158.6	87.2	0	0	0	0	111.1	E573 Q574 A575	S571-E573 WeakPolarHBondContact CB-OE2 3.24Å; S571-E573 PolarHBondContact O-N 3.34Å; S571-E573 PolarHBondContact OG-N 2.72Å; S571-E573 PolarHBondContact OG-OE2 3.21Å; S571-Q574 PolarHBondContact O-N 2.97Å; S571-Q574 WeakPolarHBondContact OG-CG 3.44Å; S571-Q574 PolarHBondContact OG-N 2.94Å; S571-A575 VanDerWaalsContact O-CB 3.3Å; S571-A575 WeakPolarHBondContact O-CB 3.35Å; S571-A575 PolarHBondContact O-N 3.1Å
572	M	83.1	Confident	85.9	Confident	72 Å²	72	34.4 Å²	34.4	36%	0.355	18%	0.176	S	C	.	.	H	α-helix	trans	-67.6	-28	177.6	-72.8	-170.8	172.2	0	0	112.3	Q576	M572-Q576 VanDerWaalsContact O-CG 3.3Å; M572-Q576 WeakPolarHBondContact O-CG 3.18Å; M572-Q576 PolarHBondContact O-N 2.94Å; M572-Q576 VanDerWaalsContact O-N 3.11Å; M572-Q576 PolarHBondContact O-NE2 2.69Å; M572-Q576 VanDerWaalsContact O-NE2 3.09Å
573	E	84.8	Confident	86.4	Confident	130 Å²	130	31 Å²	31	61%	0.607	16%	0.158	S	C	*	.	H	α-helix	trans	-76.6	-45.7	177.5	-50	66.3	-135.3	0	0	109.7	S571 A575 Q576 A577	S571-E573 WeakPolarHBondContact CB-OE2 3.24Å; S571-E573 PolarHBondContact O-N 3.34Å; S571-E573 PolarHBondContact OG-N 2.72Å; S571-E573 PolarHBondContact OG-OE2 3.21Å; E573-A575 VanDerWaalsContact C-N 3.33Å; E573-A575 PolarHBondContact O-N 3.05Å; E573-Q576 PolarHBondContact O-N 3.06Å; E573-A577 VanDerWaalsContact O-CB 3.3Å; E573-A577 WeakPolarHBondContact O-CB 3.34Å; E573-A577 PolarHBondContact O-N 3.13Å
574	Q	88.9	Confident	86.7	Confident	38 Å²	38	35.5 Å²	35.5	18%	0.178	18%	0.177	C	C	.	.	H	α-helix	trans	-61	-40.2	173.2	-72	170.6	-8	0	0	111.7	V362 D365 F570 S571 A577 Y578	V362-Q574 HydrophobicContact CG1-CB 4.02Å; V362-Q574 HydrophobicContact CG1-CG 4.22Å; D365-Q574 PolarHBondContact OD1-NE2 3.26Å; F570-Q574 HydrophobicContact CB-CB 4.02Å; F570-Q574 HydrophobicContact CD1-CB 4.06Å; F570-Q574 HydrophobicContact CG-CB 4.23Å; S571-Q574 PolarHBondContact O-N 2.97Å; S571-Q574 WeakPolarHBondContact OG-CG 3.44Å; S571-Q574 PolarHBondContact OG-N 2.94Å; Q574-A577 PolarHBondContact O-N 3.29Å; Q574-Y578 WeakPolarHBondContact O-CB 3.42Å; Q574-Y578 PolarHBondContact O-N 3.02Å
575	A	89.1	Confident	86.7	Confident	2 Å²	2	38.1 Å²	38.1	2%	0.017	20%	0.197	C	C	.	.	H	α-helix	trans	-65.3	-45.4	176	0	0	0	0	0	112.1	F570 S571 E573 Y578 V579	F570-A575 HydrophobicContact CB-CB 4.17Å; F570-A575 HydrophobicContact CD2-CB 4.41Å; S571-A575 VanDerWaalsContact O-CB 3.3Å; S571-A575 WeakPolarHBondContact O-CB 3.35Å; S571-A575 PolarHBondContact O-N 3.1Å; E573-A575 VanDerWaalsContact C-N 3.33Å; E573-A575 PolarHBondContact O-N 3.05Å; A575-Y578 WeakPolarHBondContact O-CB 3.46Å; A575-Y578 PolarHBondContact O-N 2.9Å; A575-V579 WeakPolarHBondContact O-CG2 3.45Å; A575-V579 PolarHBondContact O-N 2.83Å; A575-V579 VanDerWaalsContact O-N 3.08Å
576	Q	89.6	Confident	86.5	Confident	48 Å²	48	39.7 Å²	39.7	22%	0.224	21%	0.209	C	C	.	.	H	α-helix	trans	-65	-40	175.5	-73.5	174.1	79.7	0	0	111.9	M572 E573 Y578 V579 M580 L596	M572-Q576 VanDerWaalsContact O-CG 3.3Å; M572-Q576 WeakPolarHBondContact O-CG 3.18Å; M572-Q576 PolarHBondContact O-N 2.94Å; M572-Q576 VanDerWaalsContact O-N 3.11Å; M572-Q576 PolarHBondContact O-NE2 2.69Å; M572-Q576 VanDerWaalsContact O-NE2 3.09Å; E573-Q576 PolarHBondContact O-N 3.06Å; Q576-Y578 VanDerWaalsContact C-N 3.31Å; Q576-Y578 PolarHBondContact O-N 3.45Å; Q576-V579 PolarHBondContact O-N 3.44Å; Q576-M580 WeakPolarHBondContact O-CG 3.05Å; Q576-M580 PolarHBondContact O-N 2.73Å; Q576-L596 HydrophobicContact CB-CD2 4.04Å; Q576-L596 HydrophobicContact CG-CD2 3.96Å
577	A	89.9	Confident	86.2	Confident	38 Å²	38	41.5 Å²	41.5	31%	0.314	23%	0.233	S	C	.	.	H	α-helix	trans	-64.3	-33.3	174.3	0	0	0	0	0	112.9	E573 Q574 R581	E573-A577 VanDerWaalsContact O-CB 3.3Å; E573-A577 WeakPolarHBondContact O-CB 3.34Å; E573-A577 PolarHBondContact O-N 3.13Å; Q574-A577 PolarHBondContact O-N 3.29Å; A577-R581 WeakPolarHBondContact O-CG 3.26Å; A577-R581 PolarHBondContact O-N 3.26Å; A577-R581 VanDerWaalsContact O-N 3.13Å
578	Y	90.7	Very high	85.9	Confident	3 Å²	3	45.3 Å²	45.3	1%	0.012	25%	0.252	C	S	.	.	H	α-helix	trans	-65.5	-44.8	171.6	-176.6	-91.9	0	0	0	111.7	P357 I360 V362 F570 Q574 A575 Q576 M580 R581 Y582 C615 R616	P357-Y578 HydrophobicContact CG-CE2 4.45Å; I360-Y578 HydrophobicContact CB-CE2 3.97Å; I360-Y578 HydrophobicContact CD1-CE2 4.11Å; I360-Y578 HydrophobicContact CG2-CD2 3.79Å; I360-Y578 HydrophobicContact CG2-CE2 3.76Å; V362-Y578 HydrophobicContact CG2-CD2 4.05Å; F570-Y578 HydrophobicContact CE2-CD1 4.42Å; F570-Y578 HydrophobicContact CE2-CD2 4.03Å; F570-Y578 AromaticContact CE2-CG 3.83Å; F570-Y578 HydrophobicContact CE2-CG 3.83Å; F570-Y578 AromaticContact CZ-CD2 3.93Å; F570-Y578 HydrophobicContact CZ-CD2 3.93Å; F570-Y578 HydrophobicContact CZ-CG 4.18Å; Q574-Y578 WeakPolarHBondContact O-CB 3.42Å; Q574-Y578 PolarHBondContact O-N 3.02Å; A575-Y578 WeakPolarHBondContact O-CB 3.46Å; A575-Y578 PolarHBondContact O-N 2.9Å; Q576-Y578 VanDerWaalsContact C-N 3.31Å; Q576-Y578 PolarHBondContact O-N 3.45Å; Y578-M580 PolarHBondContact O-N 3.01Å; Y578-R581 PolarHBondContact O-N 2.74Å; Y578-Y582 HydrophobicContact CE1-CD2 4.45Å; Y578-Y582 WeakPolarHBondContact O-CB 3.49Å; Y578-Y582 PolarHBondContact O-N 3.47Å; Y578-C615 HydrophobicContact CD1-CB 4.2Å; Y578-C615 VanDerWaalsContact CD1-SG 3.59Å; Y578-R616 HydrophobicContact CE1-CB 4.16Å
579	V	90.1	Very high	86	Confident	5 Å²	5	47.9 Å²	47.9	3%	0.03	27%	0.267	C	S	.	.	H	α-helix	trans	-57.7	-48.4	175.6	176.9	0	0	0	0	110.7	A575 Q576 R581 Y582 F583 A595 L596 L599	A575-V579 WeakPolarHBondContact O-CG2 3.45Å; A575-V579 PolarHBondContact O-N 2.83Å; A575-V579 VanDerWaalsContact O-N 3.08Å; Q576-V579 PolarHBondContact O-N 3.44Å; V579-R581 PolarHBondContact O-N 2.82Å; V579-Y582 WeakPolarHBondContact O-CB 3.42Å; V579-Y582 PolarHBondContact O-N 2.94Å; V579-F583 HydrophobicContact CG1-CD2 3.99Å; V579-F583 HydrophobicContact CG1-CE2 4.15Å; V579-F583 WeakPolarHBondContact O-CD2 3.45Å; V579-F583 PolarHBondContact O-N 3.32Å; V579-F583 VanDerWaalsContact O-N 3.12Å; V579-A595 HydrophobicContact CG1-CB 4.22Å; V579-L596 HydrophobicContact CB-CD2 3.93Å; V579-L596 HydrophobicContact CG1-CD2 3.87Å; V579-L596 HydrophobicContact CG1-CG 4.35Å; V579-L596 HydrophobicContact CG2-CD2 4.47Å; V579-L599 HydrophobicContact CG2-CD2 3.92Å
580	M	88.8	Confident	85.8	Confident	49 Å²	49	56 Å²	56	24%	0.241	30%	0.304	C	S	.	.	H	α-helix	trans	-55.2	-54.3	177.6	-66.1	-59.6	-73.2	0	0	111.4	Q576 Y578 Y582 F583 E584 Q592 L596	Q576-M580 WeakPolarHBondContact O-CG 3.05Å; Q576-M580 PolarHBondContact O-N 2.73Å; Y578-M580 PolarHBondContact O-N 3.01Å; M580-Y582 VanDerWaalsContact C-N 3.27Å; M580-Y582 PolarHBondContact O-N 3.14Å; M580-F583 PolarHBondContact O-N 3.23Å; M580-F583 VanDerWaalsContact O-N 3.15Å; M580-E584 WeakPolarHBondContact O-CG 3.4Å; M580-E584 PolarHBondContact O-N 2.92Å; M580-Q592 HydrophobicContact CE-CB 3.86Å; M580-Q592 HydrophobicContact CE-CG 4.12Å; M580-Q592 HydrophobicContact SD-CB 3.81Å; M580-Q592 HydrophobicContact SD-CG 4.22Å; M580-L596 HydrophobicContact CG-CD1 4.22Å; M580-L596 HydrophobicContact SD-CD1 3.49Å; M580-L596 WeakPolarHBondContact SD-CD1 3.33Å; M580-L596 HydrophobicContact SD-CG 4.05Å
581	R	89.3	Confident	85.6	Confident	114 Å²	114	57.5 Å²	57.5	43%	0.43	31%	0.311	S	S	.	.	H	α-helix	trans	-61.7	-31.4	179.8	-70.1	175.3	-175.6	-178.7	4.1	113.6	I360 L361 A577 Y578 V579 S585	I360-R581 HydrophobicContact CG2-CB 3.84Å; L361-R581 PolarHBondContact O-NH1 2.72Å; A577-R581 WeakPolarHBondContact O-CG 3.26Å; A577-R581 PolarHBondContact O-N 3.26Å; A577-R581 VanDerWaalsContact O-N 3.13Å; Y578-R581 PolarHBondContact O-N 2.74Å; V579-R581 PolarHBondContact O-N 2.82Å; R581-S585 WeakPolarHBondContact O-CB 3.49Å; R581-S585 PolarHBondContact O-N 3.42Å; R581-S585 PolarHBondContact O-OG 3.12Å
582	Y	89.6	Confident	85.7	Confident	16 Å²	16	56.7 Å²	56.7	6%	0.063	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-50.7	173.9	-175.7	-83.3	0	0	0	111	I360 Y578 V579 M580 E584 S585 S586 R616 C619 Q620 E623	I360-Y582 HydrophobicContact CD1-CD2 4.09Å; I360-Y582 HydrophobicContact CD1-CG 4.47Å; Y578-Y582 HydrophobicContact CE1-CD2 4.45Å; Y578-Y582 WeakPolarHBondContact O-CB 3.49Å; Y578-Y582 PolarHBondContact O-N 3.47Å; V579-Y582 WeakPolarHBondContact O-CB 3.42Å; V579-Y582 PolarHBondContact O-N 2.94Å; M580-Y582 VanDerWaalsContact C-N 3.27Å; M580-Y582 PolarHBondContact O-N 3.14Å; Y582-E584 VanDerWaalsContact C-N 3.33Å; Y582-E584 PolarHBondContact O-N 3.29Å; Y582-S585 PolarHBondContact O-N 2.87Å; Y582-S585 VanDerWaalsContact O-N 3.14Å; Y582-S585 PolarHBondContact O-OG 3.47Å; Y582-S586 PolarHBondContact O-N 3.07Å; Y582-S586 PolarHBondContact O-OG 3.41Å; Y582-S586 VanDerWaalsContact O-OG 3.1Å; Y582-R616 HydrophobicContact CE2-CG 4.46Å; Y582-C619 HydrophobicContact CD1-CB 3.59Å; Y582-C619 HydrophobicContact CD2-CB 4.01Å; Y582-C619 HydrophobicContact CE1-CB 3.79Å; Y582-C619 HydrophobicContact CE2-CB 4.18Å; Y582-C619 HydrophobicContact CG-CB 3.72Å; Y582-Q620 WeakPolarHBondContact OH-CG 3.33Å; Y582-E623 VanDerWaalsContact CE1-OE2 3.28Å; Y582-E623 WeakPolarHBondContact CE1-OE2 3.45Å; Y582-E623 PolarHBondContact OH-OE2 3.06Å
583	F	88.6	Confident	85.8	Confident	1 Å²	1	58.8 Å²	58.8	0%	0.004	32%	0.315	C	S	.	.	H	α-helix	trans	-71.9	-22.6	178.3	-76.9	-87.1	0	0	0	113.6	V579 M580 S586 M588 T589 H591 Q592 A595 C619 E623 L626	V579-F583 HydrophobicContact CG1-CD2 3.99Å; V579-F583 HydrophobicContact CG1-CE2 4.15Å; V579-F583 WeakPolarHBondContact O-CD2 3.45Å; V579-F583 PolarHBondContact O-N 3.32Å; V579-F583 VanDerWaalsContact O-N 3.12Å; M580-F583 PolarHBondContact O-N 3.23Å; M580-F583 VanDerWaalsContact O-N 3.15Å; F583-S586 WeakPolarHBondContact CA-OG 3.48Å; F583-S586 PolarHBondContact O-OG 2.91Å; F583-M588 HydrophobicContact CD1-CB 3.92Å; F583-M588 CarbonylContact O-C 3.54Å; F583-M588 PolarHBondContact O-N 3.45Å; F583-T589 PolarHBondContact O-N 3.07Å; F583-H591 HydrophobicContact CD1-CB 4.15Å; F583-H591 HydrophobicContact CE1-CB 4.36Å; F583-Q592 HydrophobicContact CB-CG 3.55Å; F583-A595 HydrophobicContact CD2-CB 3.92Å; F583-A595 HydrophobicContact CE1-CB 4.29Å; F583-A595 HydrophobicContact CE2-CB 3.45Å; F583-A595 VanDerWaalsContact CE2-CB 3.45Å; F583-A595 HydrophobicContact CZ-CB 3.66Å; F583-C619 HydrophobicContact CE2-CB 4.41Å; F583-E623 HydrophobicContact CE1-CB 4.05Å; F583-E623 HydrophobicContact CZ-CB 4.03Å; F583-L626 HydrophobicContact CE1-CD1 4.42Å
584	E	86.5	Confident	85.9	Confident	106 Å²	106	56.4 Å²	56.4	50%	0.495	30%	0.3	S	S	.	.	H	α-helix	trans	-63	-52.1	162.3	-67.2	170.6	173.4	0	0	111.2	M580 Y582 S586 G587	M580-E584 WeakPolarHBondContact O-CG 3.4Å; M580-E584 PolarHBondContact O-N 2.92Å; Y582-E584 VanDerWaalsContact C-N 3.33Å; Y582-E584 PolarHBondContact O-N 3.29Å; E584-S586 PolarHBondContact O-N 3.07Å; E584-G587 PolarHBondContact O-N 3.21Å; E584-G587 VanDerWaalsContact O-N 3.09Å
585	S	83.6	Confident	85.8	Confident	70 Å²	70	54.7 Å²	54.7	49%	0.49	29%	0.292	S	S	.	.	H	α-helix	trans	-67.9	-30.3	-174	69.5	0	0	0	0	114.9	R581 Y582 G587	R581-S585 WeakPolarHBondContact O-CB 3.49Å; R581-S585 PolarHBondContact O-N 3.42Å; R581-S585 PolarHBondContact O-OG 3.12Å; Y582-S585 PolarHBondContact O-N 2.87Å; Y582-S585 VanDerWaalsContact O-N 3.14Å; Y582-S585 PolarHBondContact O-OG 3.47Å; S585-G587 VanDerWaalsContact C-N 3.27Å
586	S	80.8	Confident	85.8	Confident	42 Å²	42	55.1 Å²	55.1	29%	0.294	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-5.8	172.9	53.2	0	0	0	0	113.6	Y582 F583 E584 M588 E623	Y582-S586 PolarHBondContact O-N 3.07Å; Y582-S586 PolarHBondContact O-OG 3.41Å; Y582-S586 VanDerWaalsContact O-OG 3.1Å; F583-S586 WeakPolarHBondContact CA-OG 3.48Å; F583-S586 PolarHBondContact O-OG 2.91Å; E584-S586 PolarHBondContact O-N 3.07Å; S586-M588 VanDerWaalsContact C-N 3.25Å; S586-M588 PolarHBondContact O-N 3.43Å; S586-E623 WeakPolarHBondContact CB-OE1 3.41Å
587	G	79.8	Confident	85.8	Confident	58 Å²	58	56 Å²	56	60%	0.598	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	5.9	-176.5	0	0	0	0	0	114.7	E584 S585 T589	E584-G587 PolarHBondContact O-N 3.21Å; E584-G587 VanDerWaalsContact O-N 3.09Å; S585-G587 VanDerWaalsContact C-N 3.27Å; G587-T589 VanDerWaalsContact C-N 3.33Å; G587-T589 PolarHBondContact O-N 3.4Å
588	M	79.3	Confident	85.7	Confident	81 Å²	81	55.1 Å²	55.1	40%	0.399	29%	0.293	S	S	.	.			trans	-94.5	49.1	-177.6	-69.8	-68.1	-178.3	0	0	111.9	F583 S586 E590 H591	F583-M588 HydrophobicContact CD1-CB 3.92Å; F583-M588 CarbonylContact O-C 3.54Å; F583-M588 PolarHBondContact O-N 3.45Å; S586-M588 VanDerWaalsContact C-N 3.25Å; S586-M588 PolarHBondContact O-N 3.43Å; M588-E590 VanDerWaalsContact C-N 3.34Å; M588-E590 PolarHBondContact O-N 3.43Å; M588-H591 HydrophobicContact CB-CB 4.37Å; M588-H591 WeakPolarHBondContact O-CB 3.5Å; M588-H591 PolarHBondContact O-N 3.23Å
589	T	77.5	Confident	85.6	Confident	78 Å²	78	55.1 Å²	55.1	48%	0.479	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-59.9	-39.3	-174	51.9	0	0	0	0	113.3	F583 G587 H591 Q592	F583-T589 PolarHBondContact O-N 3.07Å; G587-T589 VanDerWaalsContact C-N 3.33Å; G587-T589 PolarHBondContact O-N 3.4Å; T589-H591 PolarHBondContact O-N 2.82Å; T589-Q592 WeakPolarHBondContact O-CB 3.4Å; T589-Q592 VanDerWaalsContact O-CG 3.24Å; T589-Q592 WeakPolarHBondContact O-CG 3.43Å; T589-Q592 PolarHBondContact O-N 3.09Å; T589-Q592 VanDerWaalsContact O-N 3.14Å
590	E	80.2	Confident	85.6	Confident	172 Å²	172	60.9 Å²	60.9	80%	0.804	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-59.8	-17.1	176.1	-59.4	-175.6	161.1	0	0	113.7	M588	M588-E590 VanDerWaalsContact C-N 3.34Å; M588-E590 PolarHBondContact O-N 3.43Å
591	H	82.4	Confident	85.6	Confident	40 Å²	40	63.7 Å²	63.7	19%	0.185	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-97.8	-3.4	-178	-72.3	91.8	0	0	0	114.2	F583 M588 T589 R594 A595 L626	F583-H591 HydrophobicContact CD1-CB 4.15Å; F583-H591 HydrophobicContact CE1-CB 4.36Å; M588-H591 HydrophobicContact CB-CB 4.37Å; M588-H591 WeakPolarHBondContact O-CB 3.5Å; M588-H591 PolarHBondContact O-N 3.23Å; T589-H591 PolarHBondContact O-N 2.82Å; H591-R594 PolarHBondContact CD2-NH1 3.46Å; H591-R594 VanDerWaalsContact CD2-NH1 3.27Å; H591-R594 PolarHBondContact NE2-NH1 3.15Å; H591-R594 PolarHBondContact O-N 3.46Å; H591-A595 WeakPolarHBondContact O-CB 3.48Å; H591-A595 PolarHBondContact O-N 3.28Å; H591-L626 HydrophobicContact CB-CD1 4.1Å
592	Q	87.2	Confident	85.7	Confident	28 Å²	28	62.3 Å²	62.3	13%	0.131	33%	0.325	C	S	.	.	H	α-helix	trans	-55.9	-59	-178.4	-76.2	169.4	3.1	0	0	113.6	M580 F583 T589 R594 A595 L596	M580-Q592 HydrophobicContact CE-CB 3.86Å; M580-Q592 HydrophobicContact CE-CG 4.12Å; M580-Q592 HydrophobicContact SD-CB 3.81Å; M580-Q592 HydrophobicContact SD-CG 4.22Å; F583-Q592 HydrophobicContact CB-CG 3.55Å; T589-Q592 WeakPolarHBondContact O-CB 3.4Å; T589-Q592 VanDerWaalsContact O-CG 3.24Å; T589-Q592 WeakPolarHBondContact O-CG 3.43Å; T589-Q592 PolarHBondContact O-N 3.09Å; T589-Q592 VanDerWaalsContact O-N 3.14Å; Q592-R594 PolarHBondContact O-N 2.89Å; Q592-A595 PolarHBondContact O-N 2.86Å; Q592-L596 PolarHBondContact O-N 2.97Å
593	D	85.6	Confident	85.7	Confident	115 Å²	115	64.6 Å²	64.6	62%	0.615	34%	0.342	S	S	*	.	H	α-helix	trans	-63.9	-32.5	-179.1	-74.5	-43.7	0	0	0	112.1	T597	D593-T597 WeakPolarHBondContact O-CB 3.42Å; D593-T597 PolarHBondContact O-N 3.03Å; D593-T597 PolarHBondContact O-OG1 2.9Å
594	R	86.6	Confident	85.7	Confident	81 Å²	81	64.8 Å²	64.8	31%	0.306	34%	0.343	S	S	.	.	H	α-helix	trans	-65.7	-47.6	174.1	-64.1	-179	67.2	-154.6	-2.4	110.6	H591 Q592 T597 L598 L626	H591-R594 PolarHBondContact CD2-NH1 3.46Å; H591-R594 VanDerWaalsContact CD2-NH1 3.27Å; H591-R594 PolarHBondContact NE2-NH1 3.15Å; H591-R594 PolarHBondContact O-N 3.46Å; Q592-R594 PolarHBondContact O-N 2.89Å; R594-T597 WeakPolarHBondContact O-CB 3.43Å; R594-T597 PolarHBondContact O-N 3.45Å; R594-T597 VanDerWaalsContact O-N 3.16Å; R594-L598 WeakPolarHBondContact O-CG 3.49Å; R594-L598 PolarHBondContact O-N 3.04Å; R594-L626 HydrophobicContact CB-CD1 4.47Å; R594-L626 HydrophobicContact CB-CD2 4.2Å
595	A	87.3	Confident	85.9	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.008	32%	0.319	C	S	.	.	H	α-helix	trans	-63.2	-41	177.1	0	0	0	0	0	112.6	V579 F583 H591 Q592 T597 L598 L599 L626	V579-A595 HydrophobicContact CG1-CB 4.22Å; F583-A595 HydrophobicContact CD2-CB 3.92Å; F583-A595 HydrophobicContact CE1-CB 4.29Å; F583-A595 HydrophobicContact CE2-CB 3.45Å; F583-A595 VanDerWaalsContact CE2-CB 3.45Å; F583-A595 HydrophobicContact CZ-CB 3.66Å; H591-A595 WeakPolarHBondContact O-CB 3.48Å; H591-A595 PolarHBondContact O-N 3.28Å; Q592-A595 PolarHBondContact O-N 2.86Å; A595-T597 VanDerWaalsContact C-N 3.32Å; A595-T597 PolarHBondContact O-N 2.89Å; A595-L598 PolarHBondContact O-N 2.96Å; A595-L599 WeakPolarHBondContact O-CB 3.14Å; A595-L599 PolarHBondContact O-N 3.47Å; A595-L626 HydrophobicContact CB-CD1 4.19Å
596	L	88.7	Confident	86.3	Confident	11 Å²	11	57.8 Å²	57.8	6%	0.058	30%	0.303	C	S	.	.	H	α-helix	trans	-62.3	-38.1	172	-75.8	-174.8	0	0	0	112.3	Q576 V579 M580 Q592 L599 R600	Q576-L596 HydrophobicContact CB-CD2 4.04Å; Q576-L596 HydrophobicContact CG-CD2 3.96Å; V579-L596 HydrophobicContact CB-CD2 3.93Å; V579-L596 HydrophobicContact CG1-CD2 3.87Å; V579-L596 HydrophobicContact CG1-CG 4.35Å; V579-L596 HydrophobicContact CG2-CD2 4.47Å; M580-L596 HydrophobicContact CG-CD1 4.22Å; M580-L596 HydrophobicContact SD-CD1 3.49Å; M580-L596 WeakPolarHBondContact SD-CD1 3.33Å; M580-L596 HydrophobicContact SD-CG 4.05Å; Q592-L596 PolarHBondContact O-N 2.97Å; L596-L599 PolarHBondContact O-N 2.93Å; L596-R600 VanDerWaalsContact O-CG 3.26Å; L596-R600 WeakPolarHBondContact O-CG 3.46Å; L596-R600 PolarHBondContact O-N 3.11Å
597	T	89.3	Confident	86.7	Confident	66 Å²	66	56.1 Å²	56.1	41%	0.405	29%	0.291	S	S	.	.	H	α-helix	trans	-65.7	-49.3	176.6	-57.4	0	0	0	0	111	D593 R594 A595 L599 R600 D601	D593-T597 WeakPolarHBondContact O-CB 3.42Å; D593-T597 PolarHBondContact O-N 3.03Å; D593-T597 PolarHBondContact O-OG1 2.9Å; R594-T597 WeakPolarHBondContact O-CB 3.43Å; R594-T597 PolarHBondContact O-N 3.45Å; R594-T597 VanDerWaalsContact O-N 3.16Å; A595-T597 VanDerWaalsContact C-N 3.32Å; A595-T597 PolarHBondContact O-N 2.89Å; T597-L599 PolarHBondContact O-N 3.46Å; T597-R600 PolarHBondContact O-N 3.25Å; T597-D601 PolarHBondContact O-N 3.27Å
598	L	88.4	Confident	87.1	Confident	20 Å²	20	54 Å²	54	11%	0.105	27%	0.266	C	S	.	.	H	α-helix	trans	-55.4	-36.6	175.3	-67.3	-179.6	0	0	0	112.9	R594 A595 L626 A632 L634	R594-L598 WeakPolarHBondContact O-CG 3.49Å; R594-L598 PolarHBondContact O-N 3.04Å; A595-L598 PolarHBondContact O-N 2.96Å; L598-L626 HydrophobicContact CD1-CD1 4.32Å; L598-L626 HydrophobicContact CD1-CD2 4.01Å; L598-L626 HydrophobicContact CD1-CG 4.15Å; L598-A632 HydrophobicContact CD1-CB 4.16Å; L598-A632 WeakPolarHBondContact CD2-O 3.49Å; L598-L634 HydrophobicContact CB-CD1 4.07Å; L598-L634 HydrophobicContact CB-CG 4.35Å
599	L	88.9	Confident	87.6	Confident	3 Å²	3	50.2 Å²	50.2	2%	0.016	25%	0.247	C	C	.	.	H	α-helix	trans	-71.7	-42.1	176.9	-175.8	54.6	0	0	0	112.5	V579 A595 L596 T597 D601 R602 L605 L606 V618	V579-L599 HydrophobicContact CG2-CD2 3.92Å; A595-L599 WeakPolarHBondContact O-CB 3.14Å; A595-L599 PolarHBondContact O-N 3.47Å; L596-L599 PolarHBondContact O-N 2.93Å; T597-L599 PolarHBondContact O-N 3.46Å; L599-D601 VanDerWaalsContact C-N 3.33Å; L599-R602 CarbonylContact O-C 3.3Å; L599-R602 PolarHBondContact O-N 3.08Å; L599-R602 VanDerWaalsContact O-N 3.12Å; L599-L605 HydrophobicContact CD1-CB 4.22Å; L599-L606 HydrophobicContact CD1-CB 3.96Å; L599-L606 HydrophobicContact CD2-CD1 4.04Å; L599-L606 HydrophobicContact CG-CB 4.1Å; L599-L606 HydrophobicContact CG-CD1 4Å; L599-V618 HydrophobicContact CD1-CG1 3.87Å
600	R	89.1	Confident	88.1	Confident	127 Å²	127	48.1 Å²	48.1	48%	0.479	23%	0.232	S	C	.	.	H	α-helix	trans	-64.1	-37	175.8	-72.1	166.8	-177.6	159.9	1	111.8	L596 T597 R602 P603	L596-R600 VanDerWaalsContact O-CG 3.26Å; L596-R600 WeakPolarHBondContact O-CG 3.46Å; L596-R600 PolarHBondContact O-N 3.11Å; T597-R600 PolarHBondContact O-N 3.25Å; R600-R602 PolarHBondContact O-N 3.45Å; R600-P603 WeakPolarHBondContact O-CD 3.47Å
601	D	89.3	Confident	88.6	Confident	107 Å²	107	40.4 Å²	40.4	57%	0.572	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.2	173.7	-70.9	-16.3	0	0	0	113.4	T597 L599 P603	T597-D601 PolarHBondContact O-N 3.27Å; L599-D601 VanDerWaalsContact C-N 3.33Å; D601-P603 VanDerWaalsContact C-CD 3.48Å; D601-P603 WeakPolarHBondContact O-CD 3.33Å
602	R	91.1	Very high	88.9	Confident	86 Å²	86	39.2 Å²	39.2	33%	0.325	19%	0.193	S	C	.	.			trans	-121.4	75.5	176.8	-64.4	-54.3	-162	-170	8.3	112.7	L599 R600 L604 L605 L606 L634 P635	L599-R602 CarbonylContact O-C 3.3Å; L599-R602 PolarHBondContact O-N 3.08Å; L599-R602 VanDerWaalsContact O-N 3.12Å; R600-R602 PolarHBondContact O-N 3.45Å; R602-L604 PolarHBondContact O-N 3.22Å; R602-L605 HydrophobicContact CB-CB 4.14Å; R602-L605 HydrophobicContact CB-CD1 4.14Å; R602-L605 HydrophobicContact CB-CG 4.2Å; R602-L605 HydrophobicContact CG-CD1 4.43Å; R602-L605 PolarHBondContact O-N 3.35Å; R602-L606 PolarHBondContact O-N 3.13Å; R602-L634 HydrophobicContact CG-CB 3.78Å; R602-L634 VanDerWaalsContact CZ-O 3.24Å; R602-L634 PolarHBondContact NE-O 2.88Å; R602-L634 PolarHBondContact NH2-O 3.34Å; R602-P635 PolarHBondContact NE-O 3.12Å
603	P	88.9	Confident	89	Confident	64 Å²	64	39.6 Å²	39.6	42%	0.416	20%	0.197	S	C	.	.	H	α-helix	trans	-52.5	-31.4	-179.7	-31.1	37.3	0	0	0	116	R600 D601 S607	R600-P603 WeakPolarHBondContact O-CD 3.47Å; D601-P603 VanDerWaalsContact C-CD 3.48Å; D601-P603 WeakPolarHBondContact O-CD 3.33Å; P603-S607 WeakPolarHBondContact O-CB 3.35Å; P603-S607 PolarHBondContact O-N 3.26Å
604	L	90.1	Very high	89.2	Confident	5 Å²	5	34.4 Å²	34.4	3%	0.026	17%	0.17	C	C	.	.	H	α-helix	trans	-62.9	-48.9	173.2	-177.8	74.5	0	0	0	111.1	R602 S607 H608 S636 V848	R602-L604 PolarHBondContact O-N 3.22Å; L604-S607 PolarHBondContact O-N 3.14Å; L604-S607 PolarHBondContact O-OG 3.02Å; L604-H608 PolarHBondContact O-CD2 2.79Å; L604-H608 PolarHBondContact O-N 3.09Å; L604-S636 WeakPolarHBondContact CD2-O 3.4Å; L604-V848 HydrophobicContact CD1-CG2 3.62Å
605	L	90.8	Very high	89.5	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-67.8	-38.6	179.3	-62.4	-176.8	0	0	0	111.2	L599 R602 S607 H608 S609 V618 L634 P635 L641	L599-L605 HydrophobicContact CD1-CB 4.22Å; R602-L605 HydrophobicContact CB-CB 4.14Å; R602-L605 HydrophobicContact CB-CD1 4.14Å; R602-L605 HydrophobicContact CB-CG 4.2Å; R602-L605 HydrophobicContact CG-CD1 4.43Å; R602-L605 PolarHBondContact O-N 3.35Å; L605-S607 VanDerWaalsContact C-N 3.31Å; L605-S607 PolarHBondContact O-N 2.96Å; L605-H608 CarbonylContact O-C 3.59Å; L605-H608 WeakPolarHBondContact O-CA 3.43Å; L605-H608 WeakPolarHBondContact O-CB 3.28Å; L605-H608 PolarHBondContact O-N 3.44Å; L605-S609 PolarHBondContact O-N 3.29Å; L605-S609 PolarHBondContact O-OG 2.82Å; L605-V618 HydrophobicContact CB-CG2 4.29Å; L605-L634 HydrophobicContact CD1-CB 3.93Å; L605-L634 HydrophobicContact CD1-CD1 4.19Å; L605-L634 HydrophobicContact CD1-CD2 4.48Å; L605-L634 HydrophobicContact CD1-CG 4.45Å; L605-P635 HydrophobicContact CD1-CG 4.33Å; L605-P635 WeakPolarHBondContact CD1-O 3.18Å; L605-L641 HydrophobicContact CD2-CB 4.39Å; L605-L641 HydrophobicContact CD2-CD2 4.4Å
606	L	90.6	Very high	89.7	Confident	28 Å²	28	33 Å²	33	15%	0.147	16%	0.164	C	C	.	.	H	α-helix	trans	-57.9	-42.1	171.1	176.3	59.3	0	0	0	111.9	L599 R602 H608 S609	L599-L606 HydrophobicContact CD1-CB 3.96Å; L599-L606 HydrophobicContact CD2-CD1 4.04Å; L599-L606 HydrophobicContact CG-CB 4.1Å; L599-L606 HydrophobicContact CG-CD1 4Å; R602-L606 PolarHBondContact O-N 3.13Å; L606-H608 VanDerWaalsContact C-N 3.29Å; L606-H608 PolarHBondContact O-N 2.89Å; L606-S609 WeakPolarHBondContact O-CB 3.32Å; L606-S609 PolarHBondContact O-N 2.79Å
607	S	89.1	Confident	89.8	Confident	7 Å²	7	32.7 Å²	32.7	5%	0.049	16%	0.163	C	C	.	.	H	α-helix	trans	-65.9	-31.3	174.8	79.9	0	0	0	0	112.6	P603 L604 L605 H610 P844	P603-S607 WeakPolarHBondContact O-CB 3.35Å; P603-S607 PolarHBondContact O-N 3.26Å; L604-S607 PolarHBondContact O-N 3.14Å; L604-S607 PolarHBondContact O-OG 3.02Å; L605-S607 VanDerWaalsContact C-N 3.31Å; L605-S607 PolarHBondContact O-N 2.96Å; S607-H610 VanDerWaalsContact O-CB 3.3Å; S607-H610 WeakPolarHBondContact O-CB 3.41Å; S607-P844 WeakPolarHBondContact O-CD 3.46Å; S607-P844 WeakPolarHBondContact O-CG 3.46Å; S607-P844 WeakPolarHBondContact OG-CA 3.43Å
608	H	89.5	Confident	89.9	Confident	15 Å²	15	29.6 Å²	29.6	7%	0.069	14%	0.144	C	C	.	.	H	α-helix	trans	-76	-26.8	175.1	-86.6	-68.4	0	0	0	113.6	L604 L605 L606 H610 S611 L614	L604-H608 PolarHBondContact O-CD2 2.79Å; L604-H608 PolarHBondContact O-N 3.09Å; L605-H608 CarbonylContact O-C 3.59Å; L605-H608 WeakPolarHBondContact O-CA 3.43Å; L605-H608 WeakPolarHBondContact O-CB 3.28Å; L605-H608 PolarHBondContact O-N 3.44Å; L606-H608 VanDerWaalsContact C-N 3.29Å; L606-H608 PolarHBondContact O-N 2.89Å; H608-H610 PolarHBondContact O-N 2.84Å; H608-S611 PolarHBondContact O-N 2.84Å; H608-L614 HydrophobicContact CB-CB 4.43Å; H608-L614 HydrophobicContact CB-CD1 3.89Å; H608-L614 WeakPolarHBondContact ND1-CD1 3.45Å; H608-L614 WeakPolarHBondContact O-CB 3.39Å
609	S	90.1	Very high	90	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-8.6	173.6	-65.5	0	0	0	0	114.2	L605 L606 S611	L605-S609 PolarHBondContact O-N 3.29Å; L605-S609 PolarHBondContact O-OG 2.82Å; L606-S609 WeakPolarHBondContact O-CB 3.32Å; L606-S609 PolarHBondContact O-N 2.79Å; S609-S611 PolarHBondContact O-N 2.84Å
610	H	87.9	Confident	90.1	Very high	35 Å²	35	31.8 Å²	31.8	16%	0.162	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-30.3	161.5	175.6	64	0	0	0	113.2	S568 G569 F570 S607 H608 P612 P843	S568-H610 PolarHBondContact O-CE1 3.36Å; S568-H610 PolarHBondContact O-NE2 2.82Å; G569-H610 CarbonylContact C-O 3.33Å; G569-H610 WeakPolarHBondContact CA-O 3.38Å; F570-H610 PolarHBondContact N-O 3.49Å; F570-H610 PolarHBondContact O-ND1 3.11Å; S607-H610 VanDerWaalsContact O-CB 3.3Å; S607-H610 WeakPolarHBondContact O-CB 3.41Å; H608-H610 PolarHBondContact O-N 2.84Å; H610-P612 WeakPolarHBondContact O-CD 3.4Å; H610-P843 HydrophobicContact CB-CG 4.25Å
611	S	89.6	Confident	90.1	Very high	9 Å²	9	26.2 Å²	26.2	6%	0.063	13%	0.133	C	C	.	.	S	Bend	trans	-87.2	121	167	165.9	0	0	0	0	109.6	G424 H608 S609 T613 L614 C615	G424-S611 PolarHBondContact O-OG 3.23Å; H608-S611 PolarHBondContact O-N 2.84Å; S609-S611 PolarHBondContact O-N 2.84Å; S611-T613 PolarHBondContact O-N 3.2Å; S611-L614 PolarHBondContact O-N 2.84Å; S611-C615 PolarHBondContact O-N 3.18Å
612	P	89.6	Confident	90.2	Very high	16 Å²	16	21.3 Å²	21.3	10%	0.104	11%	0.108	C	C	.	.	H	α-helix	trans	-53.1	-37.7	175.8	-28.9	34.7	0	0	0	114	G424 F570 H610 C615 R616	G424-P612 WeakPolarHBondContact O-CD 3.41Å; F570-P612 HydrophobicContact CD1-CG 4.04Å; F570-P612 HydrophobicContact CD2-CB 4.23Å; F570-P612 HydrophobicContact CD2-CG 3.93Å; F570-P612 HydrophobicContact CE1-CB 4.35Å; F570-P612 HydrophobicContact CE1-CG 3.8Å; F570-P612 HydrophobicContact CE2-CB 3.63Å; F570-P612 HydrophobicContact CE2-CG 3.73Å; F570-P612 HydrophobicContact CG-CG 4.09Å; F570-P612 HydrophobicContact CZ-CB 3.7Å; F570-P612 HydrophobicContact CZ-CG 3.65Å; H610-P612 WeakPolarHBondContact O-CD 3.4Å; P612-C615 PolarHBondContact O-N 3.33Å; P612-R616 PolarHBondContact O-N 2.7Å
613	T	88.5	Confident	90.1	Very high	35 Å²	35	19.6 Å²	19.6	22%	0.215	10%	0.103	C	C	.	.	H	α-helix	trans	-66.8	-35.6	177.3	-57.9	0	0	0	0	112.9	G424 S611 A617 S711	G424-T613 VanDerWaalsContact CA-OG1 3.3Å; G424-T613 WeakPolarHBondContact CA-OG1 3.3Å; G424-T613 PolarHBondContact O-N 3.07Å; G424-T613 PolarHBondContact O-OG1 2.92Å; S611-T613 PolarHBondContact O-N 3.2Å; T613-A617 PolarHBondContact O-N 2.58Å; T613-S711 VanDerWaalsContact CG2-OG 3.3Å; T613-S711 WeakPolarHBondContact CG2-OG 3.48Å
614	L	90.5	Very high	90	Very high	7 Å²	7	17.1 Å²	17.1	4%	0.037	9%	0.088	C	C	.	.	H	α-helix	trans	-78.2	-35.6	174.4	-69.8	178.6	0	0	0	112	H608 S611 R616 A617 V618 L638 L641 Y642 L713	H608-L614 HydrophobicContact CB-CB 4.43Å; H608-L614 HydrophobicContact CB-CD1 3.89Å; H608-L614 WeakPolarHBondContact ND1-CD1 3.45Å; H608-L614 WeakPolarHBondContact O-CB 3.39Å; S611-L614 PolarHBondContact O-N 2.84Å; L614-R616 VanDerWaalsContact C-N 3.34Å; L614-R616 PolarHBondContact O-N 3.04Å; L614-A617 PolarHBondContact O-N 2.79Å; L614-V618 WeakPolarHBondContact O-CG2 3.42Å; L614-V618 PolarHBondContact O-N 2.76Å; L614-L638 HydrophobicContact CD1-CD1 3.98Å; L614-L638 HydrophobicContact CD2-CD1 3.88Å; L614-L641 HydrophobicContact CD2-CD2 4.47Å; L614-Y642 HydrophobicContact CD2-CE2 3.9Å; L614-L713 HydrophobicContact CD1-CD1 3.98Å; L614-L713 HydrophobicContact CD2-CD1 3.69Å; L614-L713 HydrophobicContact CG-CD1 3.77Å
615	C	91.9	Very high	89.9	Confident	0 Å²	0	19 Å²	19	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-56.8	-47.8	172.5	-162.8	0	0	0	0	110.9	F570 Y578 S611 P612 A617 V618 C619	F570-C615 HydrophobicContact CD2-CB 4.32Å; F570-C615 HydrophobicContact CE2-CB 4.3Å; Y578-C615 HydrophobicContact CD1-CB 4.2Å; Y578-C615 VanDerWaalsContact CD1-SG 3.59Å; S611-C615 PolarHBondContact O-N 3.18Å; P612-C615 PolarHBondContact O-N 3.33Å; C615-A617 PolarHBondContact O-N 3.44Å; C615-V618 PolarHBondContact O-N 3.29Å; C615-C619 PolarHBondContact O-N 3.24Å; C615-C619 PolarHBondContact O-SG 2.73Å
616	R	91	Very high	89.7	Confident	51 Å²	51	19.8 Å²	19.8	19%	0.192	10%	0.102	C	C	.	.	H	α-helix	trans	-59.5	-45.5	173.6	-170.4	-175.5	-173.3	-138.1	1.1	112.7	D358 Y578 Y582 P612 L614 V618 C619 Q620	D358-R616 VanDerWaalsContact CG-NH2 3.26Å; D358-R616 IonicContact OD1-CZ 2.74Å; D358-R616 IonicContact OD1-NE 3.88Å; D358-R616 IonicContact OD1-NH2 3.59Å; D358-R616 PolarHBondContact OD1-NH2 3.39Å; D358-R616 IonicContact OD2-CZ 2.81Å; D358-R616 VanDerWaalsContact OD2-CZ 3.27Å; D358-R616 IonicContact OD2-NE 3.36Å; D358-R616 PolarHBondContact OD2-NE 2.69Å; D358-R616 IonicContact OD2-NH2 3.73Å; D358-R616 PolarHBondContact OD2-NH2 3.49Å; Y578-R616 HydrophobicContact CE1-CB 4.16Å; Y582-R616 HydrophobicContact CE2-CG 4.46Å; P612-R616 PolarHBondContact O-N 2.7Å; L614-R616 VanDerWaalsContact C-N 3.34Å; L614-R616 PolarHBondContact O-N 3.04Å; R616-V618 VanDerWaalsContact C-N 3.29Å; R616-V618 PolarHBondContact O-N 2.74Å; R616-C619 WeakPolarHBondContact O-CB 3.45Å; R616-C619 PolarHBondContact O-N 2.81Å; R616-C619 VanDerWaalsContact O-N 3.16Å; R616-Q620 WeakPolarHBondContact O-CG 3.5Å; R616-Q620 PolarHBondContact O-N 3.41Å
617	A	90.9	Very high	89.4	Confident	5 Å²	5	24 Å²	24	4%	0.041	12%	0.121	C	C	.	.	H	α-helix	trans	-61.3	-37.3	177.6	0	0	0	0	0	112.5	T613 L614 C615 L621 L641 L645	T613-A617 PolarHBondContact O-N 2.58Å; L614-A617 PolarHBondContact O-N 2.79Å; C615-A617 PolarHBondContact O-N 3.44Å; A617-L621 PolarHBondContact O-N 2.8Å; A617-L641 HydrophobicContact CB-CD2 4.28Å; A617-L645 HydrophobicContact CB-CD1 3.92Å
618	V	92.1	Very high	88.9	Confident	2 Å²	2	29.8 Å²	29.8	1%	0.012	15%	0.151	C	C	.	.	H	α-helix	trans	-70.3	-37.7	174.3	173.5	0	0	0	0	111.7	L599 L605 L614 C615 R616 L621 S622 L634 L641	L599-V618 HydrophobicContact CD1-CG1 3.87Å; L605-V618 HydrophobicContact CB-CG2 4.29Å; L614-V618 WeakPolarHBondContact O-CG2 3.42Å; L614-V618 PolarHBondContact O-N 2.76Å; C615-V618 PolarHBondContact O-N 3.29Å; R616-V618 VanDerWaalsContact C-N 3.29Å; R616-V618 PolarHBondContact O-N 2.74Å; V618-L621 PolarHBondContact O-N 2.99Å; V618-S622 WeakPolarHBondContact O-CB 3.39Å; V618-S622 PolarHBondContact O-N 2.95Å; V618-S622 PolarHBondContact O-OG 3.01Å; V618-L634 HydrophobicContact CG1-CD1 3.95Å; V618-L641 HydrophobicContact CG2-CD1 3.95Å; V618-L641 HydrophobicContact CG2-CD2 3.68Å; V618-L641 HydrophobicContact CG2-CG 4.48Å
619	C	91.5	Very high	88.2	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.014	17%	0.165	C	C	.	.	H	α-helix	trans	-60.7	-49.9	172.5	-63.6	0	0	0	0	111.1	Y582 F583 C615 R616 L621 S622 E623	Y582-C619 HydrophobicContact CD1-CB 3.59Å; Y582-C619 HydrophobicContact CD2-CB 4.01Å; Y582-C619 HydrophobicContact CE1-CB 3.79Å; Y582-C619 HydrophobicContact CE2-CB 4.18Å; Y582-C619 HydrophobicContact CG-CB 3.72Å; F583-C619 HydrophobicContact CE2-CB 4.41Å; C615-C619 PolarHBondContact O-N 3.24Å; C615-C619 PolarHBondContact O-SG 2.73Å; R616-C619 WeakPolarHBondContact O-CB 3.45Å; R616-C619 PolarHBondContact O-N 2.81Å; R616-C619 VanDerWaalsContact O-N 3.16Å; C619-L621 VanDerWaalsContact C-N 3.33Å; C619-L621 PolarHBondContact O-N 2.76Å; C619-S622 WeakPolarHBondContact O-CB 3.38Å; C619-S622 PolarHBondContact O-N 2.88Å; C619-E623 WeakPolarHBondContact O-CB 2.92Å; C619-E623 PolarHBondContact O-N 2.92Å
620	Q	89.9	Confident	86.7	Confident	67 Å²	67	39 Å²	39	31%	0.313	20%	0.203	S	C	.	.	H	α-helix	trans	-58.1	-40.1	177.6	-73	174.1	-34.2	0	0	112.8	Y582 R616 A624 L645	Y582-Q620 WeakPolarHBondContact OH-CG 3.33Å; R616-Q620 WeakPolarHBondContact O-CG 3.5Å; R616-Q620 PolarHBondContact O-N 3.41Å; Q620-A624 WeakPolarHBondContact O-CB 3.26Å; Q620-A624 PolarHBondContact O-N 2.68Å; Q620-A624 VanDerWaalsContact O-N 3.08Å; Q620-L645 HydrophobicContact CB-CD2 3.89Å
621	L	90.3	Very high	85.7	Confident	9 Å²	9	44 Å²	44	5%	0.047	23%	0.231	C	C	.	.	H	α-helix	trans	-73	-34.9	174.7	-174.1	58.5	0	0	0	112.1	A617 V618 C619 A624 L625 L634 P635 L641 L645	A617-L621 PolarHBondContact O-N 2.8Å; V618-L621 PolarHBondContact O-N 2.99Å; C619-L621 VanDerWaalsContact C-N 3.33Å; C619-L621 PolarHBondContact O-N 2.76Å; L621-A624 PolarHBondContact O-N 2.59Å; L621-L625 HydrophobicContact CD1-CD1 4.31Å; L621-L625 HydrophobicContact CD1-CG 4.18Å; L621-L625 HydrophobicContact CG-CD1 3.98Å; L621-L625 HydrophobicContact CG-CG 4.32Å; L621-L625 WeakPolarHBondContact O-CB 3.41Å; L621-L625 VanDerWaalsContact O-CG 3.22Å; L621-L625 WeakPolarHBondContact O-CG 3.49Å; L621-L625 PolarHBondContact O-N 3.36Å; L621-L634 HydrophobicContact CB-CD2 4.23Å; L621-L634 HydrophobicContact CD2-CD2 3.92Å; L621-L634 HydrophobicContact CG-CD2 3.95Å; L621-P635 HydrophobicContact CD2-CG 3.99Å; L621-L641 HydrophobicContact CB-CD1 3.92Å; L621-L641 HydrophobicContact CD2-CD1 3.65Å; L621-L641 HydrophobicContact CG-CD1 4.43Å; L621-L645 HydrophobicContact CB-CD2 3.87Å; L621-L645 HydrophobicContact CB-CG 4.18Å
622	S	90.3	Very high	84.8	Confident	4 Å²	4	44.2 Å²	44.2	3%	0.028	23%	0.233	C	C	.	.	H	α-helix	trans	-66.8	-45.8	178	-57.1	0	0	0	0	111.3	V618 C619 L625 L626	V618-S622 WeakPolarHBondContact O-CB 3.39Å; V618-S622 PolarHBondContact O-N 2.95Å; V618-S622 PolarHBondContact O-OG 3.01Å; C619-S622 WeakPolarHBondContact O-CB 3.38Å; C619-S622 PolarHBondContact O-N 2.88Å; S622-L625 PolarHBondContact O-N 3.3Å; S622-L626 WeakPolarHBondContact O-CB 3.45Å; S622-L626 WeakPolarHBondContact O-CD1 3.49Å; S622-L626 WeakPolarHBondContact O-CG 3.43Å; S622-L626 PolarHBondContact O-N 3.09Å
623	E	90.1	Very high	84.5	Confident	51 Å²	51	50.6 Å²	50.6	24%	0.238	26%	0.26	C	S	.	.	H	α-helix	trans	-53.7	-54.9	170.7	178.8	176	-147.1	0	0	110.4	Y582 F583 S586 C619 L625 L626 E627	Y582-E623 VanDerWaalsContact CE1-OE2 3.28Å; Y582-E623 WeakPolarHBondContact CE1-OE2 3.45Å; Y582-E623 PolarHBondContact OH-OE2 3.06Å; F583-E623 HydrophobicContact CE1-CB 4.05Å; F583-E623 HydrophobicContact CZ-CB 4.03Å; S586-E623 WeakPolarHBondContact CB-OE1 3.41Å; C619-E623 WeakPolarHBondContact O-CB 2.92Å; C619-E623 PolarHBondContact O-N 2.92Å; E623-L625 VanDerWaalsContact C-N 3.26Å; E623-L625 PolarHBondContact O-N 2.8Å; E623-L626 PolarHBondContact O-N 2.89Å; E623-L626 VanDerWaalsContact O-N 3.16Å; E623-E627 WeakPolarHBondContact O-CG 3.12Å; E623-E627 PolarHBondContact O-N 2.95Å
624	A	86.7	Confident	84.5	Confident	12 Å²	12	49 Å²	49	10%	0.099	25%	0.25	C	C	.	.	H	α-helix	trans	-59.5	-28.2	178.2	0	0	0	0	0	115.1	Q620 L621 L628	Q620-A624 WeakPolarHBondContact O-CB 3.26Å; Q620-A624 PolarHBondContact O-N 2.68Å; Q620-A624 VanDerWaalsContact O-N 3.08Å; L621-A624 PolarHBondContact O-N 2.59Å; A624-L628 WeakPolarHBondContact O-CD1 3.38Å
625	L	87	Confident	84.5	Confident	45 Å²	45	50 Å²	50	24%	0.236	26%	0.256	C	S	.	.	H	α-helix	trans	-84.3	-36.2	176.5	-73.4	171.1	0	0	0	112.2	L621 S622 E623 L628 G629 A632 L634	L621-L625 HydrophobicContact CD1-CD1 4.31Å; L621-L625 HydrophobicContact CD1-CG 4.18Å; L621-L625 HydrophobicContact CG-CD1 3.98Å; L621-L625 HydrophobicContact CG-CG 4.32Å; L621-L625 WeakPolarHBondContact O-CB 3.41Å; L621-L625 VanDerWaalsContact O-CG 3.22Å; L621-L625 WeakPolarHBondContact O-CG 3.49Å; L621-L625 PolarHBondContact O-N 3.36Å; S622-L625 PolarHBondContact O-N 3.3Å; E623-L625 VanDerWaalsContact C-N 3.26Å; E623-L625 PolarHBondContact O-N 2.8Å; L625-L628 PolarHBondContact O-N 2.93Å; L625-G629 PolarHBondContact O-N 3.03Å; L625-A632 HydrophobicContact CB-CB 3.91Å; L625-L634 HydrophobicContact CD1-CD2 4.01Å
626	L	86.8	Confident	84.3	Confident	16 Å²	16	52.2 Å²	52.2	8%	0.084	27%	0.272	C	S	.	.	H	α-helix	trans	-72	-29.6	179.4	-68.3	167.4	0	0	0	112	F583 H591 R594 A595 L598 S622 E623 L628 A632	F583-L626 HydrophobicContact CE1-CD1 4.42Å; H591-L626 HydrophobicContact CB-CD1 4.1Å; R594-L626 HydrophobicContact CB-CD1 4.47Å; R594-L626 HydrophobicContact CB-CD2 4.2Å; A595-L626 HydrophobicContact CB-CD1 4.19Å; L598-L626 HydrophobicContact CD1-CD1 4.32Å; L598-L626 HydrophobicContact CD1-CD2 4.01Å; L598-L626 HydrophobicContact CD1-CG 4.15Å; S622-L626 WeakPolarHBondContact O-CB 3.45Å; S622-L626 WeakPolarHBondContact O-CD1 3.49Å; S622-L626 WeakPolarHBondContact O-CG 3.43Å; S622-L626 PolarHBondContact O-N 3.09Å; E623-L626 PolarHBondContact O-N 2.89Å; E623-L626 VanDerWaalsContact O-N 3.16Å; L626-L628 PolarHBondContact O-N 2.94Å; L626-A632 HydrophobicContact CD2-CB 4.13Å
627	E	84.6	Confident	84.4	Confident	116 Å²	116	49.9 Å²	49.9	54%	0.542	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-29.5	164.6	-74.3	-175.5	142.7	0	0	113.6	E623 R648	E623-E627 WeakPolarHBondContact O-CG 3.12Å; E623-E627 PolarHBondContact O-N 2.95Å; E627-R648 IonicContact OE2-CZ 2.73Å; E627-R648 IonicContact OE2-NH1 3.97Å; E627-R648 PolarHBondContact OE2-NH1 3.38Å; E627-R648 IonicContact OE2-NH2 3.87Å; E627-R648 PolarHBondContact OE2-NH2 2.89Å
628	L	79.1	Confident	84.4	Confident	128 Å²	128	50 Å²	50	67%	0.67	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-10	-169.5	-99.3	110.6	0	0	0	114.9	A624 L625 L626	A624-L628 WeakPolarHBondContact O-CD1 3.38Å; L625-L628 PolarHBondContact O-N 2.93Å; L626-L628 PolarHBondContact O-N 2.94Å
629	G	73.5	Confident	84.5	Confident	35 Å²	35	49.9 Å²	49.9	36%	0.361	26%	0.263	S	S	.	.			trans	144.1	-171	171.8	0	0	0	0	0	115.7	L625	L625-G629 PolarHBondContact O-N 3.03Å
630	E	59.3	Low	84.5	Confident	174 Å²	174	50.3 Å²	50.3	81%	0.813	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-30.9	-174.9	-63.1	-164.1	139.9	0	0	114.3	A632	E630-A632 PolarHBondContact O-N 2.7Å
631	D	65.8	Low	84.6	Confident	140 Å²	140	47.1 Å²	47.1	75%	0.749	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	16.9	178.7	-95	-53.4	0	0	0	114.7	K633	D631-K633 PolarHBondContact O-N 3.32Å; D631-K633 IonicContact OD1-NZ 2.77Å
632	A	71.4	Confident	84.7	Confident	13 Å²	13	47.2 Å²	47.2	11%	0.107	25%	0.252	C	S	.	.			trans	-52.4	120.8	177.4	0	0	0	0	0	111.4	L598 L625 L626 E630	L598-A632 HydrophobicContact CD1-CB 4.16Å; L598-A632 WeakPolarHBondContact CD2-O 3.49Å; L625-A632 HydrophobicContact CB-CB 3.91Å; L626-A632 HydrophobicContact CD2-CB 4.13Å; E630-A632 PolarHBondContact O-N 2.7Å
633	K	84.1	Confident	84.7	Confident	150 Å²	150	47.4 Å²	47.4	65%	0.652	25%	0.253	S	S	*	.			trans	-136	118.3	176.3	-73.5	171.8	-174.2	156.6	0	110	D631	D631-K633 PolarHBondContact O-N 3.32Å; D631-K633 IonicContact OD1-NZ 2.77Å
634	L	87.9	Confident	84.6	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.01	26%	0.256	C	S	.	.			trans	-60.7	153.2	172.6	-79.1	175.2	0	0	0	111	L598 R602 L605 V618 L621 L625	L598-L634 HydrophobicContact CB-CD1 4.07Å; L598-L634 HydrophobicContact CB-CG 4.35Å; R602-L634 HydrophobicContact CG-CB 3.78Å; R602-L634 VanDerWaalsContact CZ-O 3.24Å; R602-L634 PolarHBondContact NE-O 2.88Å; R602-L634 PolarHBondContact NH2-O 3.34Å; L605-L634 HydrophobicContact CD1-CB 3.93Å; L605-L634 HydrophobicContact CD1-CD1 4.19Å; L605-L634 HydrophobicContact CD1-CD2 4.48Å; L605-L634 HydrophobicContact CD1-CG 4.45Å; V618-L634 HydrophobicContact CG1-CD1 3.95Å; L621-L634 HydrophobicContact CB-CD2 4.23Å; L621-L634 HydrophobicContact CD2-CD2 3.92Å; L621-L634 HydrophobicContact CG-CD2 3.95Å; L625-L634 HydrophobicContact CD1-CD2 4.01Å
635	P	89.6	Confident	84.7	Confident	27 Å²	27	47.9 Å²	47.9	18%	0.175	26%	0.263	C	S	.	.			trans	-68.7	163.9	178.3	25.8	-31.4	0	0	0	112.8	R602 L605 L621 G640 L641	R602-P635 PolarHBondContact NE-O 3.12Å; L605-P635 HydrophobicContact CD1-CG 4.33Å; L605-P635 WeakPolarHBondContact CD1-O 3.18Å; L621-P635 HydrophobicContact CD2-CG 3.99Å; P635-G640 VanDerWaalsContact CG-C 3.44Å; P635-L641 HydrophobicContact CG-CB 4.26Å; P635-L641 VanDerWaalsContact CG-N 3.35Å
636	S	89.1	Confident	84.8	Confident	47 Å²	47	45.9 Å²	45.9	33%	0.329	25%	0.252	S	S	.	.	S	Bend	trans	-81.2	-18.5	177.1	25.6	0	0	0	0	114.2	L604 E818	L604-S636 WeakPolarHBondContact CD2-O 3.4Å; S636-E818 VanDerWaalsContact CB-OE1 3.3Å; S636-E818 WeakPolarHBondContact CB-OE1 3.41Å; S636-E818 PolarHBondContact OG-OE1 3.22Å
637	T	91.8	Very high	84.6	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.012	26%	0.255	C	S	.	.	S	Bend	trans	-132.8	159.5	-168.4	60.3	0	0	0	0	112.7	T639 G640 L641 Q765 E816 E818	T637-T639 VanDerWaalsContact C-N 3.35Å; T637-G640 PolarHBondContact O-N 2.86Å; T637-G640 PolarHBondContact OG1-N 3.21Å; T637-G640 VanDerWaalsContact OG1-N 3.1Å; T637-L641 PolarHBondContact O-N 2.81Å; T637-L641 VanDerWaalsContact O-N 3.12Å; T637-Q765 PolarHBondContact OG1-NE2 2.85Å; T637-E816 WeakPolarHBondContact CB-OE1 3.49Å; T637-E818 HydrophobicContact CG2-CG 3.86Å
638	L	92.3	Very high	84.2	Confident	8 Å²	8	46 Å²	46	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-67.6	-35.1	175.8	-169.5	71.5	0	0	0	111.6	L614 L641 Y642 F758 E816	L614-L638 HydrophobicContact CD1-CD1 3.98Å; L614-L638 HydrophobicContact CD2-CD1 3.88Å; L638-L641 HydrophobicContact CD1-CD2 4.24Å; L638-L641 WeakPolarHBondContact O-CB 3.4Å; L638-L641 PolarHBondContact O-N 3.14Å; L638-Y642 PolarHBondContact O-N 2.56Å; L638-F758 HydrophobicContact CB-CE1 4.47Å; L638-F758 HydrophobicContact CD2-CE1 3.95Å; L638-F758 HydrophobicContact CD2-CZ 4.03Å; L638-F758 HydrophobicContact CG-CE1 3.83Å; L638-F758 HydrophobicContact CG-CZ 4.22Å; L638-E816 WeakPolarHBondContact CB-OE1 3.31Å; L638-E816 PolarHBondContact N-OE1 2.85Å; L638-E816 PolarHBondContact N-OE2 3.48Å
639	T	93.3	Very high	84.2	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.9	-44.8	170.9	-57	0	0	0	0	110.6	T637 L641 Y642 V643 F717 L762 E816	T637-T639 VanDerWaalsContact C-N 3.35Å; T639-L641 VanDerWaalsContact C-N 3.3Å; T639-L641 PolarHBondContact O-N 3.47Å; T639-Y642 PolarHBondContact O-N 2.86Å; T639-V643 HydrophobicContact CG2-CG2 4.24Å; T639-V643 WeakPolarHBondContact O-CG2 3.27Å; T639-V643 PolarHBondContact O-N 3.28Å; T639-F717 HydrophobicContact CG2-CE2 4.08Å; T639-L762 HydrophobicContact CG2-CD2 3.97Å; T639-L762 HydrophobicContact CG2-CG 3.86Å; T639-E816 WeakPolarHBondContact CB-OE2 3.24Å; T639-E816 PolarHBondContact N-OE2 2.82Å; T639-E816 PolarHBondContact OG1-OE2 3.06Å
640	G	91.5	Very high	84.6	Confident	11 Å²	11	39 Å²	39	11%	0.113	21%	0.208	C	C	.	.	H	α-helix	trans	-60.2	-36.6	177.2	0	0	0	0	0	113.3	P635 T637 V643 G644	P635-G640 VanDerWaalsContact CG-C 3.44Å; T637-G640 PolarHBondContact O-N 2.86Å; T637-G640 PolarHBondContact OG1-N 3.21Å; T637-G640 VanDerWaalsContact OG1-N 3.1Å; G640-V643 PolarHBondContact O-N 3.46Å; G640-G644 PolarHBondContact O-N 3.46Å
641	L	92.3	Very high	85.4	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.6	-51.7	174.1	172.1	64.5	0	0	0	111.3	L605 L614 A617 V618 L621 P635 T637 L638 T639 G644 L645	L605-L641 HydrophobicContact CD2-CB 4.39Å; L605-L641 HydrophobicContact CD2-CD2 4.4Å; L614-L641 HydrophobicContact CD2-CD2 4.47Å; A617-L641 HydrophobicContact CB-CD2 4.28Å; V618-L641 HydrophobicContact CG2-CD1 3.95Å; V618-L641 HydrophobicContact CG2-CD2 3.68Å; V618-L641 HydrophobicContact CG2-CG 4.48Å; L621-L641 HydrophobicContact CB-CD1 3.92Å; L621-L641 HydrophobicContact CD2-CD1 3.65Å; L621-L641 HydrophobicContact CG-CD1 4.43Å; P635-L641 HydrophobicContact CG-CB 4.26Å; P635-L641 VanDerWaalsContact CG-N 3.35Å; T637-L641 PolarHBondContact O-N 2.81Å; T637-L641 VanDerWaalsContact O-N 3.12Å; L638-L641 HydrophobicContact CD1-CD2 4.24Å; L638-L641 WeakPolarHBondContact O-CB 3.4Å; L638-L641 PolarHBondContact O-N 3.14Å; T639-L641 VanDerWaalsContact C-N 3.3Å; T639-L641 PolarHBondContact O-N 3.47Å; L641-G644 PolarHBondContact O-N 3.35Å; L641-L645 HydrophobicContact CD1-CD1 4.14Å; L641-L645 HydrophobicContact CG-CD1 4.28Å; L641-L645 WeakPolarHBondContact O-CG 3.39Å; L641-L645 PolarHBondContact O-N 3.48Å; L641-L645 VanDerWaalsContact O-N 3.12Å
642	Y	91.9	Very high	86.1	Confident	10 Å²	10	36.1 Å²	36.1	4%	0.039	20%	0.198	C	C	.	.	H	α-helix	trans	-70	-35.2	-179.9	-83.6	-82	0	0	0	113.1	L614 L638 T639 L646 L713 L714 F717 F758	L614-Y642 HydrophobicContact CD2-CE2 3.9Å; L638-Y642 PolarHBondContact O-N 2.56Å; T639-Y642 PolarHBondContact O-N 2.86Å; Y642-L646 VanDerWaalsContact O-CB 3.32Å; Y642-L646 WeakPolarHBondContact O-CB 3.39Å; Y642-L646 PolarHBondContact O-N 2.86Å; Y642-L713 HydrophobicContact CE2-CB 4.44Å; Y642-L713 WeakPolarHBondContact OH-CB 3.36Å; Y642-L714 HydrophobicContact CD1-CD1 4.04Å; Y642-L714 HydrophobicContact CE1-CB 4.03Å; Y642-L714 HydrophobicContact CE1-CD1 4.2Å; Y642-F717 VanDerWaalsContact CB-CE2 3.45Å; Y642-F717 HydrophobicContact CD1-CB 4.35Å; Y642-F717 HydrophobicContact CD1-CG 4.44Å; Y642-F717 HydrophobicContact CG-CB 4.31Å; Y642-F717 AromaticContact CG-CD2 3.97Å; Y642-F717 HydrophobicContact CG-CD2 3.97Å; Y642-F717 HydrophobicContact CG-CG 4.17Å; Y642-F758 AromaticContact CD2-CE1 3.62Å; Y642-F758 HydrophobicContact CD2-CE1 3.62Å; Y642-F758 AromaticContact CD2-CZ 3.61Å; Y642-F758 HydrophobicContact CD2-CZ 3.61Å; Y642-F758 HydrophobicContact CE2-CE1 4.19Å; Y642-F758 AromaticContact CE2-CZ 3.74Å; Y642-F758 HydrophobicContact CE2-CZ 3.74Å; Y642-F758 HydrophobicContact CG-CE1 4.34Å; Y642-F758 HydrophobicContact CG-CZ 4.38Å
643	V	91.3	Very high	86.6	Confident	8 Å²	8	37 Å²	37	5%	0.048	20%	0.203	C	C	.	.	H	α-helix	trans	-61.2	-44	171	171.3	0	0	0	0	111.1	T639 G640 L646 G647 F717 L762 R769 C770 A773 L774	T639-V643 HydrophobicContact CG2-CG2 4.24Å; T639-V643 WeakPolarHBondContact O-CG2 3.27Å; T639-V643 PolarHBondContact O-N 3.28Å; G640-V643 PolarHBondContact O-N 3.46Å; V643-L646 PolarHBondContact O-N 3.47Å; V643-G647 PolarHBondContact O-N 3.06Å; V643-F717 HydrophobicContact CG2-CE2 4.11Å; V643-F717 HydrophobicContact CG2-CZ 3.81Å; V643-L762 HydrophobicContact CG2-CD2 4.16Å; V643-R769 WeakPolarHBondContact CG1-O 3.48Å; V643-C770 HydrophobicContact CG2-CB 4.48Å; V643-A773 HydrophobicContact CG1-CB 4.4Å; V643-L774 HydrophobicContact CG1-CG 4.4Å; V643-L774 HydrophobicContact CG2-CD1 4.2Å
644	G	88.1	Confident	86.6	Confident	29 Å²	29	31.8 Å²	31.8	30%	0.299	18%	0.184	S	C	.	.	H	α-helix	trans	-61.7	-45	179.2	0	0	0	0	0	112.7	G640 L641	G640-G644 PolarHBondContact O-N 3.46Å; L641-G644 PolarHBondContact O-N 3.35Å
645	L	88.6	Confident	86.2	Confident	45 Å²	45	38.3 Å²	38.3	24%	0.236	23%	0.227	C	C	.	.	H	α-helix	trans	-63.6	-48.9	175.8	-69.6	166.3	0	0	0	112	A617 Q620 L621 L641 G647	A617-L645 HydrophobicContact CB-CD1 3.92Å; Q620-L645 HydrophobicContact CB-CD2 3.89Å; L621-L645 HydrophobicContact CB-CD2 3.87Å; L621-L645 HydrophobicContact CB-CG 4.18Å; L641-L645 HydrophobicContact CD1-CD1 4.14Å; L641-L645 HydrophobicContact CG-CD1 4.28Å; L641-L645 WeakPolarHBondContact O-CG 3.39Å; L641-L645 PolarHBondContact O-N 3.48Å; L641-L645 VanDerWaalsContact O-N 3.12Å; L645-G647 PolarHBondContact O-N 2.94Å
646	L	88.1	Confident	85.8	Confident	3 Å²	3	39 Å²	39	2%	0.016	24%	0.239	C	C	.	.	H	α-helix	trans	-72.7	-25.2	-178.8	-79.9	159.2	0	0	0	113.3	Y642 V643 R648 A649 A650 L658 L695 L714 F717 L774	Y642-L646 VanDerWaalsContact O-CB 3.32Å; Y642-L646 WeakPolarHBondContact O-CB 3.39Å; Y642-L646 PolarHBondContact O-N 2.86Å; V643-L646 PolarHBondContact O-N 3.47Å; L646-R648 PolarHBondContact O-N 3.32Å; L646-A649 CarbonylContact O-C 3.29Å; L646-A649 WeakPolarHBondContact O-CA 3.31Å; L646-A649 WeakPolarHBondContact O-CB 3.24Å; L646-A649 PolarHBondContact O-N 2.9Å; L646-A650 WeakPolarHBondContact O-CB 3.27Å; L646-A650 PolarHBondContact O-N 2.84Å; L646-L658 HydrophobicContact CD2-CD1 4.34Å; L646-L695 HydrophobicContact CD2-CD1 3.89Å; L646-L695 HydrophobicContact CD2-CD2 3.55Å; L646-L695 HydrophobicContact CD2-CG 4.37Å; L646-L714 HydrophobicContact CD1-CD1 3.92Å; L646-L714 HydrophobicContact CD2-CD1 4.4Å; L646-L714 HydrophobicContact CG-CD1 4.35Å; L646-F717 HydrophobicContact CD1-CD1 3.42Å; L646-F717 VanDerWaalsContact CD1-CD1 3.42Å; L646-F717 HydrophobicContact CD1-CE1 3.27Å; L646-F717 HydrophobicContact CD1-CG 4.45Å; L646-F717 HydrophobicContact CD1-CZ 4.17Å; L646-L774 HydrophobicContact CB-CD2 3.65Å
647	G	83.8	Confident	85.7	Confident	14 Å²	14	36.9 Å²	36.9	14%	0.144	22%	0.224	C	C	.	.	H	α-helix	trans	-57.7	-45.7	-179.7	0	0	0	0	0	113	V643 L645 A649 A650 L651	V643-G647 PolarHBondContact O-N 3.06Å; L645-G647 PolarHBondContact O-N 2.94Å; G647-A649 PolarHBondContact O-N 3.21Å; G647-A650 PolarHBondContact O-N 3.04Å; G647-L651 WeakPolarHBondContact O-CG 3.13Å; G647-L651 PolarHBondContact O-N 3.44Å
648	R	76.2	Confident	85.5	Confident	119 Å²	119	36.8 Å²	36.8	45%	0.449	22%	0.224	S	C	.	.	H	α-helix	trans	-63.8	-27.4	175.1	-63.5	-177.3	88.7	-174.3	11.9	112.7	E627 L646	E627-R648 IonicContact OE2-CZ 2.73Å; E627-R648 IonicContact OE2-NH1 3.97Å; E627-R648 PolarHBondContact OE2-NH1 3.38Å; E627-R648 IonicContact OE2-NH2 3.87Å; E627-R648 PolarHBondContact OE2-NH2 2.89Å; L646-R648 PolarHBondContact O-N 3.32Å
649	A	79.3	Confident	85.3	Confident	7 Å²	7	37.9 Å²	37.9	6%	0.058	23%	0.234	C	C	.	.	H	α-helix	trans	-82.4	-33.2	175.7	0	0	0	0	0	112.9	L646 G647 W689 K693 L695	L646-A649 CarbonylContact O-C 3.29Å; L646-A649 WeakPolarHBondContact O-CA 3.31Å; L646-A649 WeakPolarHBondContact O-CB 3.24Å; L646-A649 PolarHBondContact O-N 2.9Å; G647-A649 PolarHBondContact O-N 3.21Å; A649-W689 PolarHBondContact O-NE1 2.76Å; A649-K693 HydrophobicContact CB-CB 3.79Å; A649-K693 HydrophobicContact CB-CD 4.13Å; A649-K693 HydrophobicContact CB-CG 3.9Å; A649-L695 HydrophobicContact CB-CD1 4.34Å; A649-L695 HydrophobicContact CB-CD2 4.4Å
650	A	80.9	Confident	85.1	Confident	10 Å²	10	42.3 Å²	42.3	8%	0.083	26%	0.255	C	S	.	.	H	α-helix	trans	-73.8	-32.7	-176.3	0	0	0	0	0	113.6	L646 G647 D652 S653 L658 L774	L646-A650 WeakPolarHBondContact O-CB 3.27Å; L646-A650 PolarHBondContact O-N 2.84Å; G647-A650 PolarHBondContact O-N 3.04Å; A650-D652 PolarHBondContact O-N 3.19Å; A650-S653 VanDerWaalsContact O-CB 3.28Å; A650-S653 WeakPolarHBondContact O-CB 3.46Å; A650-S653 PolarHBondContact O-N 2.67Å; A650-S653 PolarHBondContact O-OG 3.44Å; A650-L658 HydrophobicContact CB-CD2 4.24Å; A650-L774 HydrophobicContact CB-CD2 4.37Å; A650-L774 WeakPolarHBondContact CB-O 3.38Å
651	L	76.4	Confident	85	Confident	146 Å²	146	41.8 Å²	41.8	76%	0.764	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-37.6	175.6	-72	171.2	0	0	0	112.8	G647	G647-L651 WeakPolarHBondContact O-CG 3.13Å; G647-L651 PolarHBondContact O-N 3.44Å
652	D	79.1	Confident	85	Confident	108 Å²	108	41.8 Å²	41.8	58%	0.578	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	17.3	178.5	-56.3	-35.9	0	0	0	112.7	A650 K693	A650-D652 PolarHBondContact O-N 3.19Å; D652-K693 WeakPolarHBondContact OD2-CE 3.3Å; D652-K693 IonicContact OD2-NZ 2.76Å; D652-K693 PolarHBondContact OD2-NZ 3.48Å
653	S	82.9	Confident	84.9	Confident	32 Å²	32	43.8 Å²	43.8	22%	0.224	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-82.5	139.7	-174.7	70.1	0	0	0	0	113.3	A650 W689	A650-S653 VanDerWaalsContact O-CB 3.28Å; A650-S653 WeakPolarHBondContact O-CB 3.46Å; A650-S653 PolarHBondContact O-N 2.67Å; A650-S653 PolarHBondContact O-OG 3.44Å; S653-W689 VanDerWaalsContact CB-CE2 3.48Å; S653-W689 VanDerWaalsContact CB-CZ2 3.43Å
654	P	83.7	Confident	84.9	Confident	39 Å²	39	44.5 Å²	44.5	25%	0.253	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-59.7	146.1	168.9	-18.9	29.1	0	0	0	110.8	G656 A657 W689	P654-G656 PolarHBondContact O-N 3.28Å; P654-A657 HydrophobicContact CB-CB 4.02Å; P654-A657 HydrophobicContact CG-CB 4.14Å; P654-A657 WeakPolarHBondContact O-CB 3.36Å; P654-A657 PolarHBondContact O-N 2.73Å; P654-W689 HydrophobicContact CG-CB 4.22Å; P654-W689 HydrophobicContact CG-CG 4.42Å
655	P	79.6	Confident	85	Confident	140 Å²	140	43.1 Å²	43.1	91%	0.909	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	116.2	-173.2	23.4	-33.9	0	0	0	111.6
656	G	81.4	Confident	85	Confident	41 Å²	41	41.1 Å²	41.1	42%	0.423	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	-10.5	-177.5	0	0	0	0	0	115.7	P654 L658 A659 E660	P654-G656 PolarHBondContact O-N 3.28Å; G656-L658 VanDerWaalsContact C-N 3.33Å; G656-L658 PolarHBondContact O-N 2.93Å; G656-A659 WeakPolarHBondContact O-CB 3.3Å; G656-A659 PolarHBondContact O-N 3.06Å; G656-E660 PolarHBondContact O-N 3.06Å; G656-E660 VanDerWaalsContact O-N 3.11Å
657	A	87	Confident	84.9	Confident	2 Å²	2	44.1 Å²	44.1	2%	0.017	25%	0.251	C	S	.	.	H	α-helix	trans	-53.9	-44.5	-175	0	0	0	0	0	113.6	P654 A659 E660 L661 V686 W689	P654-A657 HydrophobicContact CB-CB 4.02Å; P654-A657 HydrophobicContact CG-CB 4.14Å; P654-A657 WeakPolarHBondContact O-CB 3.36Å; P654-A657 PolarHBondContact O-N 2.73Å; A657-A659 VanDerWaalsContact C-N 3.32Å; A657-A659 PolarHBondContact O-N 2.8Å; A657-E660 PolarHBondContact O-N 3.17Å; A657-L661 WeakPolarHBondContact O-CB 3.48Å; A657-L661 PolarHBondContact O-N 2.77Å; A657-V686 HydrophobicContact CB-CG1 4.28Å; A657-V686 HydrophobicContact CB-CG2 3.82Å; A657-W689 HydrophobicContact CB-CE3 3.96Å; A657-W689 HydrophobicContact CB-CZ3 3.96Å
658	L	88.3	Confident	84.8	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-66.5	-31.1	178.6	-179.5	62.2	0	0	0	112.8	L646 A650 G656 A662 W689 L718 L721 L774 L775	L646-L658 HydrophobicContact CD2-CD1 4.34Å; A650-L658 HydrophobicContact CB-CD2 4.24Å; G656-L658 VanDerWaalsContact C-N 3.33Å; G656-L658 PolarHBondContact O-N 2.93Å; L658-A662 WeakPolarHBondContact O-CB 3.24Å; L658-A662 PolarHBondContact O-N 3.12Å; L658-W689 HydrophobicContact CB-CH2 4.08Å; L658-W689 HydrophobicContact CD1-CH2 4.2Å; L658-L718 HydrophobicContact CD1-CD2 3.71Å; L658-L721 HydrophobicContact CD1-CD2 4.19Å; L658-L721 HydrophobicContact CD2-CD2 4.09Å; L658-L721 HydrophobicContact CG-CD2 3.9Å; L658-L774 HydrophobicContact CD2-CB 3.97Å; L658-L774 HydrophobicContact CD2-CD2 4.4Å; L658-L775 HydrophobicContact CB-CD2 4.18Å; L658-L775 HydrophobicContact CD2-CD2 4.17Å; L658-L775 HydrophobicContact CD2-CG 4.42Å
659	A	87.5	Confident	85	Confident	31 Å²	31	38 Å²	38	26%	0.256	22%	0.223	S	C	.	.	H	α-helix	trans	-75.8	-37.2	178.5	0	0	0	0	0	112.2	G656 A657 A662 K663	G656-A659 WeakPolarHBondContact O-CB 3.3Å; G656-A659 PolarHBondContact O-N 3.06Å; A657-A659 VanDerWaalsContact C-N 3.32Å; A657-A659 PolarHBondContact O-N 2.8Å; A659-A662 WeakPolarHBondContact O-CB 3.49Å; A659-A662 PolarHBondContact O-N 3.44Å; A659-K663 PolarHBondContact O-N 2.99Å
660	E	88.4	Confident	84.9	Confident	93 Å²	93	43.7 Å²	43.7	44%	0.435	24%	0.243	S	C	.	.	H	α-helix	trans	-73.3	-38.5	173.5	-62.4	-57.8	147.8	0	0	112	G656 A657 A662 K663 L664 P682	G656-E660 PolarHBondContact O-N 3.06Å; G656-E660 VanDerWaalsContact O-N 3.11Å; A657-E660 PolarHBondContact O-N 3.17Å; E660-A662 PolarHBondContact O-N 3.47Å; E660-K663 WeakPolarHBondContact O-CB 3.44Å; E660-K663 PolarHBondContact O-N 3.12Å; E660-K663 VanDerWaalsContact O-N 3.12Å; E660-L664 WeakPolarHBondContact O-CB 3.38Å; E660-L664 PolarHBondContact O-N 2.77Å; E660-P682 HydrophobicContact CB-CB 4.35Å; E660-P682 HydrophobicContact CB-CG 3.65Å; E660-P682 HydrophobicContact CG-CG 4.38Å
661	L	90.6	Very high	84.6	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61	-36.3	171.1	-173.7	65.7	0	0	0	111.4	A657 L664 A665 W689 A690 L695 V696 F709 L718	A657-L661 WeakPolarHBondContact O-CB 3.48Å; A657-L661 PolarHBondContact O-N 2.77Å; L661-L664 PolarHBondContact O-N 3.02Å; L661-A665 WeakPolarHBondContact O-CB 3.28Å; L661-A665 PolarHBondContact O-N 3.14Å; L661-W689 HydrophobicContact CD2-CH2 4.41Å; L661-W689 HydrophobicContact CD2-CZ3 3.95Å; L661-A690 HydrophobicContact CD2-CB 4.21Å; L661-L695 HydrophobicContact CD2-CB 4.17Å; L661-L695 HydrophobicContact CD2-CD1 4.04Å; L661-V696 HydrophobicContact CD1-CG1 4.42Å; L661-F709 HydrophobicContact CD1-CE1 3.91Å; L661-F709 HydrophobicContact CD1-CZ 3.97Å; L661-F709 HydrophobicContact CG-CE1 4.16Å; L661-F709 HydrophobicContact CG-CZ 4.45Å; L661-L718 HydrophobicContact CD2-CD1 4.33Å; L661-L718 HydrophobicContact CG-CD1 4.31Å
662	A	91.2	Very high	84.4	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65	-39.9	172.4	0	0	0	0	0	112.8	L658 A659 E660 W666 L718 L721 W722	L658-A662 WeakPolarHBondContact O-CB 3.24Å; L658-A662 PolarHBondContact O-N 3.12Å; A659-A662 WeakPolarHBondContact O-CB 3.49Å; A659-A662 PolarHBondContact O-N 3.44Å; E660-A662 PolarHBondContact O-N 3.47Å; A662-W666 WeakPolarHBondContact O-CB 3.32Å; A662-W666 PolarHBondContact O-N 2.7Å; A662-W666 VanDerWaalsContact O-N 3.09Å; A662-L718 VanDerWaalsContact CB-O 3.27Å; A662-L718 WeakPolarHBondContact CB-O 3.31Å; A662-L721 HydrophobicContact CB-CB 4.39Å; A662-L721 HydrophobicContact CB-CD2 4.43Å; A662-L721 HydrophobicContact CB-CG 4.46Å; A662-W722 HydrophobicContact CB-CB 3.99Å
663	K	90.8	Very high	84.2	Confident	51 Å²	51	44.5 Å²	44.5	22%	0.222	23%	0.232	C	C	.	.	H	α-helix	trans	-62.4	-45.6	173	-174.5	166.9	179.3	164.1	0	111.8	A659 E660 W666 E667 W722 E728	A659-K663 PolarHBondContact O-N 2.99Å; E660-K663 WeakPolarHBondContact O-CB 3.44Å; E660-K663 PolarHBondContact O-N 3.12Å; E660-K663 VanDerWaalsContact O-N 3.12Å; K663-W666 WeakPolarHBondContact O-CB 3.26Å; K663-W666 PolarHBondContact O-N 3.07Å; K663-E667 WeakPolarHBondContact CE-OE1 3.3Å; K663-E667 PolarHBondContact O-N 3.21Å; K663-W722 VanDerWaalsContact CB-CD1 3.47Å; K663-W722 HydrophobicContact CB-CG 4.37Å; K663-E728 IonicContact NZ-OE1 2.71Å; K663-E728 PolarHBondContact NZ-OE1 3.15Å; K663-E728 IonicContact NZ-OE2 3.05Å
664	L	90.4	Very high	83.7	Confident	23 Å²	23	44.3 Å²	44.3	12%	0.12	23%	0.231	C	C	.	.	H	α-helix	trans	-62.2	-44.9	178.4	-176.8	58.2	0	0	0	111.9	E660 L661 W666 E667 L668 L676 Q680 F681	E660-L664 WeakPolarHBondContact O-CB 3.38Å; E660-L664 PolarHBondContact O-N 2.77Å; L661-L664 PolarHBondContact O-N 3.02Å; L664-W666 VanDerWaalsContact C-N 3.32Å; L664-W666 PolarHBondContact O-N 3.44Å; L664-E667 PolarHBondContact O-N 3.12Å; L664-L668 PolarHBondContact O-N 3Å; L664-L676 HydrophobicContact CD1-CD2 3.73Å; L664-L676 HydrophobicContact CD2-CD1 4.44Å; L664-L676 HydrophobicContact CD2-CD2 3.68Å; L664-L676 HydrophobicContact CG-CD2 3.68Å; L664-Q680 HydrophobicContact CD1-CB 4.3Å; L664-F681 HydrophobicContact CD2-CD1 4.44Å
665	A	90.3	Very high	83.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57.6	-42.6	173.6	0	0	0	0	0	112.7	L661 G669 F709 Q715 L718	L661-A665 WeakPolarHBondContact O-CB 3.28Å; L661-A665 PolarHBondContact O-N 3.14Å; A665-G669 PolarHBondContact O-N 3.11Å; A665-F709 HydrophobicContact CB-CE1 4.4Å; A665-F709 HydrophobicContact CB-CE2 3.98Å; A665-F709 HydrophobicContact CB-CZ 3.71Å; A665-Q715 HydrophobicContact CB-CG 3.85Å; A665-Q715 PolarHBondContact O-NE2 3.38Å; A665-L718 HydrophobicContact CB-CB 3.59Å; A665-L718 HydrophobicContact CB-CD1 4.37Å
666	W	88.3	Confident	83.5	Confident	4 Å²	4	37.1 Å²	37.1	2%	0.015	18%	0.184	C	C	.	.	H	α-helix	trans	-65.9	-43.8	176.6	173.8	-106	0	0	0	113.2	A662 K663 L664 G669 R670 W722 L723 Y737 L752	A662-W666 WeakPolarHBondContact O-CB 3.32Å; A662-W666 PolarHBondContact O-N 2.7Å; A662-W666 VanDerWaalsContact O-N 3.09Å; K663-W666 WeakPolarHBondContact O-CB 3.26Å; K663-W666 PolarHBondContact O-N 3.07Å; L664-W666 VanDerWaalsContact C-N 3.32Å; L664-W666 PolarHBondContact O-N 3.44Å; W666-G669 PolarHBondContact O-N 3.12Å; W666-R670 HydrophobicContact CD2-CG 4.48Å; W666-R670 VanDerWaalsContact CE2-CD 3.5Å; W666-R670 HydrophobicContact CZ2-CG 4.19Å; W666-R670 VanDerWaalsContact NE1-CD 3.31Å; W666-R670 WeakPolarHBondContact O-CG 3.45Å; W666-R670 PolarHBondContact O-N 2.89Å; W666-W722 HydrophobicContact CB-CB 4.31Å; W666-W722 HydrophobicContact CB-CD2 4.26Å; W666-W722 HydrophobicContact CB-CE3 4.15Å; W666-W722 HydrophobicContact CB-CG 4.35Å; W666-W722 AromaticContact CD1-CD2 3.89Å; W666-W722 AromaticContact CD1-CE3 3.33Å; W666-W722 AromaticContact CD1-CH2 3.85Å; W666-W722 AromaticContact CD1-CZ3 3.31Å; W666-W722 AromaticContact CD2-CE3 3.78Å; W666-W722 HydrophobicContact CD2-CE3 3.78Å; W666-W722 HydrophobicContact CD2-CZ3 4.05Å; W666-W722 AromaticContact CE2-CE3 3.82Å; W666-W722 AromaticContact CE2-CZ3 3.58Å; W666-W722 HydrophobicContact CG-CD2 4.04Å; W666-W722 AromaticContact CG-CE3 3.49Å; W666-W722 HydrophobicContact CG-CE3 3.49Å; W666-W722 VanDerWaalsContact CG-CE3 3.49Å; W666-W722 AromaticContact CG-CZ3 3.91Å; W666-W722 HydrophobicContact CG-CZ3 3.91Å; W666-W722 HydrophobicContact CZ2-CZ3 4.29Å; W666-W722 AromaticContact NE1-CE3 3.49Å; W666-W722 AromaticContact NE1-CH2 3.68Å; W666-W722 AromaticContact NE1-CZ3 3.03Å; W666-L723 HydrophobicContact CE3-CD2 4.29Å; W666-L723 HydrophobicContact CE3-CG 4.22Å; W666-L723 HydrophobicContact CH2-CD1 4.14Å; W666-L723 HydrophobicContact CH2-CD2 3.66Å; W666-L723 HydrophobicContact CH2-CG 4.18Å; W666-L723 HydrophobicContact CZ2-CD2 3.83Å; W666-L723 HydrophobicContact CZ3-CD1 3.84Å; W666-L723 HydrophobicContact CZ3-CD2 3.88Å; W666-L723 HydrophobicContact CZ3-CG 3.9Å; W666-Y737 AromaticContact CH2-CD1 3.69Å; W666-Y737 HydrophobicContact CH2-CD1 3.69Å; W666-Y737 AromaticContact CH2-CE1 3.54Å; W666-Y737 HydrophobicContact CH2-CE1 3.54Å; W666-Y737 HydrophobicContact CZ2-CD1 4.41Å; W666-Y737 AromaticContact CZ2-CE1 3.81Å; W666-Y737 HydrophobicContact CZ2-CE1 3.81Å; W666-L752 HydrophobicContact CH2-CD2 4.17Å; W666-L752 HydrophobicContact CZ3-CD2 3.83Å
667	E	86.9	Confident	83.5	Confident	66 Å²	66	38 Å²	38	31%	0.308	18%	0.177	S	C	.	.	H	α-helix	trans	-66.4	-44	179.6	-75.5	-161.7	-146	0	0	112.7	K663 L664 G669 R670 R671	K663-E667 WeakPolarHBondContact CE-OE1 3.3Å; K663-E667 PolarHBondContact O-N 3.21Å; L664-E667 PolarHBondContact O-N 3.12Å; E667-G669 VanDerWaalsContact C-N 3.35Å; E667-R670 PolarHBondContact O-N 3.35Å; E667-R671 WeakPolarHBondContact O-CG 3.4Å; E667-R671 PolarHBondContact O-N 2.84Å; E667-R671 IonicContact OE2-CZ 2.65Å; E667-R671 IonicContact OE2-NH2 3Å; E667-R671 PolarHBondContact OE2-NH2 3.46Å
668	L	82.3	Confident	82.9	Confident	3 Å²	3	42 Å²	42	2%	0.016	20%	0.195	C	C	.	.	H	α-helix	trans	-59.9	-44.7	172	-74.9	-173.9	0	0	0	112.1	L664 R670 R671 H672 Q673 T675 L676 F709	L664-L668 PolarHBondContact O-N 3Å; L668-R670 VanDerWaalsContact C-N 3.27Å; L668-R670 PolarHBondContact O-N 2.98Å; L668-R671 CarbonylContact O-C 3.54Å; L668-R671 WeakPolarHBondContact O-CA 3.49Å; L668-R671 PolarHBondContact O-N 2.83Å; L668-H672 PolarHBondContact O-N 2.62Å; L668-Q673 HydrophobicContact CB-CB 4.45Å; L668-Q673 HydrophobicContact CD2-CB 3.76Å; L668-Q673 PolarHBondContact O-N 3.15Å; L668-T675 WeakPolarHBondContact CD2-O 3.48Å; L668-L676 HydrophobicContact CD1-CD1 4.5Å; L668-L676 HydrophobicContact CD1-CD2 3.5Å; L668-L676 VanDerWaalsContact CD1-CD2 3.5Å; L668-L676 HydrophobicContact CD1-CG 3.71Å; L668-L676 HydrophobicContact CD2-CD2 4.44Å; L668-L676 HydrophobicContact CG-CD2 4.19Å; L668-F709 HydrophobicContact CD1-CE2 4.15Å
669	G	79.6	Confident	82.4	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.2	-38.1	-179.8	0	0	0	0	0	112.8	A665 W666 E667 R671 H672	A665-G669 PolarHBondContact O-N 3.11Å; W666-G669 PolarHBondContact O-N 3.12Å; E667-G669 VanDerWaalsContact C-N 3.35Å; G669-R671 VanDerWaalsContact C-N 3.31Å; G669-R671 PolarHBondContact O-N 2.84Å; G669-H672 PolarHBondContact O-N 3.31Å
670	R	77.8	Confident	82.3	Confident	127 Å²	127	50.2 Å²	50.2	48%	0.479	23%	0.232	S	C	.	.	H	α-helix	trans	-68.9	-23.3	172.2	-76.4	178.8	57.9	-162.5	-1.1	114.5	W666 E667 L668 Y748	W666-R670 HydrophobicContact CD2-CG 4.48Å; W666-R670 VanDerWaalsContact CE2-CD 3.5Å; W666-R670 HydrophobicContact CZ2-CG 4.19Å; W666-R670 VanDerWaalsContact NE1-CD 3.31Å; W666-R670 WeakPolarHBondContact O-CG 3.45Å; W666-R670 PolarHBondContact O-N 2.89Å; E667-R670 PolarHBondContact O-N 3.35Å; L668-R670 VanDerWaalsContact C-N 3.27Å; L668-R670 PolarHBondContact O-N 2.98Å; R670-Y748 HydrophobicContact CG-CD1 4.21Å; R670-Y748 HydrophobicContact CG-CE1 4.31Å
671	R	74.6	Confident	82	Confident	136 Å²	136	46.6 Å²	46.6	51%	0.513	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-0.9	175.5	-63.2	172.3	-161.6	-178	8.7	112.6	E667 L668 G669 Q673	E667-R671 WeakPolarHBondContact O-CG 3.4Å; E667-R671 PolarHBondContact O-N 2.84Å; E667-R671 IonicContact OE2-CZ 2.65Å; E667-R671 IonicContact OE2-NH2 3Å; E667-R671 PolarHBondContact OE2-NH2 3.46Å; L668-R671 CarbonylContact O-C 3.54Å; L668-R671 WeakPolarHBondContact O-CA 3.49Å; L668-R671 PolarHBondContact O-N 2.83Å; G669-R671 VanDerWaalsContact C-N 3.31Å; G669-R671 PolarHBondContact O-N 2.84Å; R671-Q673 HydrophobicContact CB-CB 4.43Å; R671-Q673 HydrophobicContact CB-CG 3.99Å; R671-Q673 PolarHBondContact O-N 3.46Å
672	H	72.3	Confident	81.6	Confident	67 Å²	67	50.1 Å²	50.1	31%	0.31	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	32.3	-171	-66	-75.8	0	0	0	113.9	A507 L668 G669	A507-H672 HydrophobicContact CB-CB 3.59Å; L668-H672 PolarHBondContact O-N 2.62Å; G669-H672 PolarHBondContact O-N 3.31Å
673	Q	74.1	Confident	81.3	Confident	78 Å²	78	52.2 Å²	52.2	36%	0.364	25%	0.253	S	S	.	.			trans	-100.2	139.9	178.8	-70.1	172.5	-40.2	0	0	110.8	L668 R671 Q715	L668-Q673 HydrophobicContact CB-CB 4.45Å; L668-Q673 HydrophobicContact CD2-CB 3.76Å; L668-Q673 PolarHBondContact O-N 3.15Å; R671-Q673 HydrophobicContact CB-CB 4.43Å; R671-Q673 HydrophobicContact CB-CG 3.99Å; R671-Q673 PolarHBondContact O-N 3.46Å; Q673-Q715 PolarHBondContact O-NE2 2.95Å
674	S	72.4	Confident	81	Confident	28 Å²	28	53.1 Å²	53.1	20%	0.196	27%	0.27	C	S	.	.			trans	-106.9	-23.9	178.1	51.3	0	0	0	0	113.4	E504 A708	E504-S674 VanDerWaalsContact CD-OG 3.3Å; E504-S674 WeakPolarHBondContact OE1-CB 3.48Å; E504-S674 PolarHBondContact OE1-OG 3.39Å; S674-A708 WeakPolarHBondContact O-CB 3.28Å
675	T	77.8	Confident	80.7	Confident	29 Å²	29	57.1 Å²	57.1	18%	0.178	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	155.5	179.5	48.7	0	0	0	0	113.4	H455 L668 P699 L707	H455-T675 HydrophobicContact CB-CG2 3.84Å; L668-T675 WeakPolarHBondContact CD2-O 3.48Å; T675-P699 HydrophobicContact CG2-CG 4.17Å; T675-L707 CarbonylContact C-O 3.36Å; T675-L707 VanDerWaalsContact CA-O 3.26Å; T675-L707 WeakPolarHBondContact CA-O 3.16Å
676	L	81.5	Confident	80.5	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.7	178.2	-76.5	167	0	0	0	109	L664 L668 F681 V696 L707 F709	L664-L676 HydrophobicContact CD1-CD2 3.73Å; L664-L676 HydrophobicContact CD2-CD1 4.44Å; L664-L676 HydrophobicContact CD2-CD2 3.68Å; L664-L676 HydrophobicContact CG-CD2 3.68Å; L668-L676 HydrophobicContact CD1-CD1 4.5Å; L668-L676 HydrophobicContact CD1-CD2 3.5Å; L668-L676 VanDerWaalsContact CD1-CD2 3.5Å; L668-L676 HydrophobicContact CD1-CG 3.71Å; L668-L676 HydrophobicContact CD2-CD2 4.44Å; L668-L676 HydrophobicContact CG-CD2 4.19Å; L676-F681 HydrophobicContact CB-CE2 4.07Å; L676-F681 HydrophobicContact CB-CZ 4.45Å; L676-F681 HydrophobicContact CD1-CE2 4.18Å; L676-F681 HydrophobicContact CD1-CZ 3.75Å; L676-V696 HydrophobicContact CD1-CG1 3.92Å; L676-L707 HydrophobicContact CB-CB 4Å; L676-L707 PolarHBondContact N-O 3.32Å; L676-L707 PolarHBondContact O-N 3.05Å; L676-F709 HydrophobicContact CD1-CE2 4.09Å; L676-F709 HydrophobicContact CD1-CZ 4.34Å
677	Q	80.6	Confident	80.5	Confident	60 Å²	60	60.1 Å²	60.1	28%	0.28	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	156.9	167	-63.6	-68.3	-14.3	0	0	109.6	D679 Q680 E706	Q677-D679 VanDerWaalsContact C-N 3.25Å; Q677-D679 WeakPolarHBondContact CB-OD1 3.41Å; Q677-D679 PolarHBondContact O-N 3.16Å; Q677-Q680 HydrophobicContact CB-CG 4.29Å; Q677-Q680 WeakPolarHBondContact O-CB 3.45Å; Q677-Q680 PolarHBondContact O-N 3.39Å; Q677-Q680 VanDerWaalsContact O-N 3.14Å; Q677-E706 PolarHBondContact NE2-OE1 2.85Å
678	E	76.3	Confident	80.5	Confident	85 Å²	85	61.2 Å²	61.2	40%	0.397	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-60	-33.2	-173.8	-50.3	-159	161.4	0	0	114.1	Q680 F681 R687 S705	E678-Q680 PolarHBondContact O-N 3.24Å; E678-F681 PolarHBondContact O-N 3.3Å; E678-R687 VanDerWaalsContact CD-CZ 3.42Å; E678-R687 IonicContact OE1-CZ 3.2Å; E678-R687 IonicContact OE1-NH1 3.72Å; E678-R687 PolarHBondContact OE1-NH1 3.43Å; E678-R687 IonicContact OE1-NH2 2.71Å; E678-R687 PolarHBondContact OE1-NH2 3.3Å; E678-R687 IonicContact OE2-CZ 2.75Å; E678-R687 IonicContact OE2-NH1 2.81Å; E678-R687 PolarHBondContact OE2-NH1 3.36Å; E678-R687 IonicContact OE2-NH2 3.68Å; E678-S705 WeakPolarHBondContact CG-O 3.44Å; E678-S705 WeakPolarHBondContact OE1-CA 3.38Å
679	D	77.9	Confident	80.9	Confident	136 Å²	136	62 Å²	62	73%	0.727	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-71.7	-13.4	-178.9	68.7	-45.8	0	0	0	113.8	Q677	Q677-D679 VanDerWaalsContact C-N 3.25Å; Q677-D679 WeakPolarHBondContact CB-OD1 3.41Å; Q677-D679 PolarHBondContact O-N 3.16Å
680	Q	83.4	Confident	81.3	Confident	68 Å²	68	62 Å²	62	32%	0.318	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-86.7	-7.6	-178.7	-58.7	174.6	4.8	0	0	112.9	L664 Q677 E678	L664-Q680 HydrophobicContact CD1-CB 4.3Å; Q677-Q680 HydrophobicContact CB-CG 4.29Å; Q677-Q680 WeakPolarHBondContact O-CB 3.45Å; Q677-Q680 PolarHBondContact O-N 3.39Å; Q677-Q680 VanDerWaalsContact O-N 3.14Å; E678-Q680 PolarHBondContact O-N 3.24Å
681	F	83.8	Confident	81.8	Confident	18 Å²	18	58.9 Å²	58.9	8%	0.079	31%	0.31	C	S	.	.	S	Bend	trans	-81.3	135.8	178.4	-77.2	-95.8	0	0	0	111.7	L664 L676 E678 S683 R687 V696 L707	L664-F681 HydrophobicContact CD2-CD1 4.44Å; L676-F681 HydrophobicContact CB-CE2 4.07Å; L676-F681 HydrophobicContact CB-CZ 4.45Å; L676-F681 HydrophobicContact CD1-CE2 4.18Å; L676-F681 HydrophobicContact CD1-CZ 3.75Å; E678-F681 PolarHBondContact O-N 3.3Å; F681-S683 VanDerWaalsContact C-N 3.27Å; F681-S683 PolarHBondContact O-N 2.91Å; F681-R687 HydrophobicContact CB-CB 4.26Å; F681-R687 HydrophobicContact CD1-CB 3.68Å; F681-R687 HydrophobicContact CD1-CG 4.18Å; F681-R687 HydrophobicContact CD2-CB 4.48Å; F681-R687 HydrophobicContact CD2-CG 4.37Å; F681-R687 HydrophobicContact CE1-CB 4.1Å; F681-R687 HydrophobicContact CE1-CG 4.2Å; F681-R687 HydrophobicContact CE2-CG 4.4Å; F681-R687 HydrophobicContact CG-CB 3.89Å; F681-R687 HydrophobicContact CG-CG 4.25Å; F681-R687 HydrophobicContact CZ-CG 4.31Å; F681-V696 HydrophobicContact CE1-CG2 4.38Å; F681-V696 HydrophobicContact CZ-CG1 4.42Å; F681-V696 HydrophobicContact CZ-CG2 4.22Å; F681-L707 HydrophobicContact CE2-CD1 3.73Å; F681-L707 HydrophobicContact CZ-CD1 3.72Å
682	P	81.6	Confident	82.4	Confident	74 Å²	74	56.6 Å²	56.6	48%	0.481	32%	0.32	S	S	.	.	S	Bend	trans	-60.4	-32.5	-179.8	-19.4	26.4	0	0	0	114.4	E660	E660-P682 HydrophobicContact CB-CB 4.35Å; E660-P682 HydrophobicContact CB-CG 3.65Å; E660-P682 HydrophobicContact CG-CG 4.38Å
683	S	84.8	Confident	83.1	Confident	44 Å²	44	56.9 Å²	56.9	31%	0.308	32%	0.32	S	S	.	.			trans	-155.2	162.6	170	82.6	0	0	0	0	111	F681 D685 V686 R687	F681-S683 VanDerWaalsContact C-N 3.27Å; F681-S683 PolarHBondContact O-N 2.91Å; S683-D685 PolarHBondContact O-N 3Å; S683-D685 PolarHBondContact OG-N 3Å; S683-V686 PolarHBondContact O-N 3.25Å; S683-V686 PolarHBondContact OG-N 2.71Å; S683-R687 PolarHBondContact O-N 3.02Å
684	A	84.6	Confident	83.6	Confident	70 Å²	70	55.2 Å²	55.2	58%	0.579	32%	0.323	S	S	*	.	H	α-helix	trans	-59.9	-35.4	172.6	0	0	0	0	0	112.2	R687 T688	A684-R687 WeakPolarHBondContact O-CB 3.34Å; A684-R687 PolarHBondContact O-N 3.27Å; A684-T688 WeakPolarHBondContact O-CG2 3.33Å; A684-T688 PolarHBondContact O-N 3.12Å; A684-T688 PolarHBondContact O-OG1 3.06Å
685	D	84.4	Confident	84.3	Confident	107 Å²	107	54.4 Å²	54.4	57%	0.572	32%	0.317	S	S	*	.	H	α-helix	trans	-67.9	-36.3	-179.5	-47.7	-51.2	0	0	0	112.3	S683 R687 T688 W689	S683-D685 PolarHBondContact O-N 3Å; S683-D685 PolarHBondContact OG-N 3Å; D685-R687 VanDerWaalsContact C-N 3.34Å; D685-T688 WeakPolarHBondContact CA-OG1 3.45Å; D685-T688 PolarHBondContact O-OG1 3.44Å; D685-W689 VanDerWaalsContact O-CB 3.28Å; D685-W689 WeakPolarHBondContact O-CB 3.3Å; D685-W689 PolarHBondContact O-N 3.14Å
686	V	86	Confident	84.7	Confident	10 Å²	10	53.1 Å²	53.1	6%	0.061	31%	0.309	C	S	.	.	H	α-helix	trans	-65.6	-40.5	173	178.2	0	0	0	0	110.2	A657 S683 A690	A657-V686 HydrophobicContact CB-CG1 4.28Å; A657-V686 HydrophobicContact CB-CG2 3.82Å; S683-V686 PolarHBondContact O-N 3.25Å; S683-V686 PolarHBondContact OG-N 2.71Å; V686-A690 WeakPolarHBondContact O-CB 3.46Å; V686-A690 PolarHBondContact O-N 3.23Å
687	R	87.9	Confident	84.9	Confident	57 Å²	57	56.6 Å²	56.6	22%	0.215	33%	0.325	C	S	.	.	H	α-helix	trans	-64.5	-49	176	-178.2	-175.3	169.3	-168.1	3.1	111.9	E678 F681 S683 A684 D685 A690 M691 L707	E678-R687 VanDerWaalsContact CD-CZ 3.42Å; E678-R687 IonicContact OE1-CZ 3.2Å; E678-R687 IonicContact OE1-NH1 3.72Å; E678-R687 PolarHBondContact OE1-NH1 3.43Å; E678-R687 IonicContact OE1-NH2 2.71Å; E678-R687 PolarHBondContact OE1-NH2 3.3Å; E678-R687 IonicContact OE2-CZ 2.75Å; E678-R687 IonicContact OE2-NH1 2.81Å; E678-R687 PolarHBondContact OE2-NH1 3.36Å; E678-R687 IonicContact OE2-NH2 3.68Å; F681-R687 HydrophobicContact CB-CB 4.26Å; F681-R687 HydrophobicContact CD1-CB 3.68Å; F681-R687 HydrophobicContact CD1-CG 4.18Å; F681-R687 HydrophobicContact CD2-CB 4.48Å; F681-R687 HydrophobicContact CD2-CG 4.37Å; F681-R687 HydrophobicContact CE1-CB 4.1Å; F681-R687 HydrophobicContact CE1-CG 4.2Å; F681-R687 HydrophobicContact CE2-CG 4.4Å; F681-R687 HydrophobicContact CG-CB 3.89Å; F681-R687 HydrophobicContact CG-CG 4.25Å; F681-R687 HydrophobicContact CZ-CG 4.31Å; S683-R687 PolarHBondContact O-N 3.02Å; A684-R687 WeakPolarHBondContact O-CB 3.34Å; A684-R687 PolarHBondContact O-N 3.27Å; D685-R687 VanDerWaalsContact C-N 3.34Å; R687-A690 PolarHBondContact O-N 3.21Å; R687-M691 WeakPolarHBondContact O-CB 3.48Å; R687-M691 VanDerWaalsContact O-CG 3.29Å; R687-M691 WeakPolarHBondContact O-CG 3.43Å; R687-M691 PolarHBondContact O-N 3.04Å; R687-L707 HydrophobicContact CG-CD1 4.22Å
688	T	87.8	Confident	84.9	Confident	89 Å²	89	57.6 Å²	57.6	55%	0.546	33%	0.33	S	S	.	.	H	α-helix	trans	-67.5	-40.1	-177.5	53.9	0	0	0	0	111.9	A684 D685 A692	A684-T688 WeakPolarHBondContact O-CG2 3.33Å; A684-T688 PolarHBondContact O-N 3.12Å; A684-T688 PolarHBondContact O-OG1 3.06Å; D685-T688 WeakPolarHBondContact CA-OG1 3.45Å; D685-T688 PolarHBondContact O-OG1 3.44Å; T688-A692 WeakPolarHBondContact O-CB 3.49Å; T688-A692 PolarHBondContact O-N 2.85Å
689	W	90.6	Very high	84.7	Confident	18 Å²	18	54.1 Å²	54.1	7%	0.068	32%	0.315	C	S	.	.	H	α-helix	trans	-61.2	-49.1	170.6	164.9	80.5	0	0	0	111.9	A649 S653 P654 A657 L658 L661 D685 M691 A692 K693 L695	A649-W689 PolarHBondContact O-NE1 2.76Å; S653-W689 VanDerWaalsContact CB-CE2 3.48Å; S653-W689 VanDerWaalsContact CB-CZ2 3.43Å; P654-W689 HydrophobicContact CG-CB 4.22Å; P654-W689 HydrophobicContact CG-CG 4.42Å; A657-W689 HydrophobicContact CB-CE3 3.96Å; A657-W689 HydrophobicContact CB-CZ3 3.96Å; L658-W689 HydrophobicContact CB-CH2 4.08Å; L658-W689 HydrophobicContact CD1-CH2 4.2Å; L661-W689 HydrophobicContact CD2-CH2 4.41Å; L661-W689 HydrophobicContact CD2-CZ3 3.95Å; D685-W689 VanDerWaalsContact O-CB 3.28Å; D685-W689 WeakPolarHBondContact O-CB 3.3Å; D685-W689 PolarHBondContact O-N 3.14Å; W689-M691 VanDerWaalsContact C-N 3.31Å; W689-M691 PolarHBondContact O-N 2.94Å; W689-A692 PolarHBondContact O-N 3.22Å; W689-K693 WeakPolarHBondContact O-CB 3.49Å; W689-K693 WeakPolarHBondContact O-CG 3.48Å; W689-K693 PolarHBondContact O-N 2.82Å; W689-L695 HydrophobicContact CH2-CD1 3.51Å; W689-L695 HydrophobicContact CZ2-CD1 3.79Å; W689-L695 HydrophobicContact CZ3-CD1 4.05Å
690	A	88.3	Confident	84	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65	-34	-177.9	0	0	0	0	0	112.5	L661 V686 R687 G694 L695 V696	L661-A690 HydrophobicContact CD2-CB 4.21Å; V686-A690 WeakPolarHBondContact O-CB 3.46Å; V686-A690 PolarHBondContact O-N 3.23Å; R687-A690 PolarHBondContact O-N 3.21Å; A690-G694 PolarHBondContact O-N 2.76Å; A690-L695 HydrophobicContact CB-CB 4.32Å; A690-L695 PolarHBondContact O-N 2.97Å; A690-V696 HydrophobicContact CB-CG2 3.8Å; A690-V696 PolarHBondContact O-N 2.97Å
691	M	88.3	Confident	82.8	Confident	63 Å²	63	53.3 Å²	53.3	31%	0.31	31%	0.311	S	S	.	.	H	α-helix	trans	-67.1	-51.6	169.9	-75.4	-70.9	-76.4	0	0	111.8	R687 W689 K693 G694 V696 H698 L707	R687-M691 WeakPolarHBondContact O-CB 3.48Å; R687-M691 VanDerWaalsContact O-CG 3.29Å; R687-M691 WeakPolarHBondContact O-CG 3.43Å; R687-M691 PolarHBondContact O-N 3.04Å; W689-M691 VanDerWaalsContact C-N 3.31Å; W689-M691 PolarHBondContact O-N 2.94Å; M691-K693 PolarHBondContact O-N 3.17Å; M691-G694 PolarHBondContact O-N 2.69Å; M691-V696 HydrophobicContact CG-CG2 3.98Å; M691-V696 HydrophobicContact SD-CG2 3.9Å; M691-H698 WeakPolarHBondContact CE-NE2 3.26Å; M691-L707 HydrophobicContact CE-CD2 3.99Å; M691-L707 HydrophobicContact SD-CD1 4.17Å; M691-L707 HydrophobicContact SD-CD2 3.38Å; M691-L707 WeakPolarHBondContact SD-CD2 3.2Å; M691-L707 HydrophobicContact SD-CG 4.45Å
692	A	86.3	Confident	81.7	Confident	88 Å²	88	53.6 Å²	53.6	73%	0.727	32%	0.317	S	S	*	.	H	α-helix	trans	-65	-22.5	-177.6	0	0	0	0	0	113.6	T688 W689	T688-A692 WeakPolarHBondContact O-CB 3.49Å; T688-A692 PolarHBondContact O-N 2.85Å; W689-A692 PolarHBondContact O-N 3.22Å
693	K	86.5	Confident	80.7	Confident	73 Å²	73	51.9 Å²	51.9	32%	0.317	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	6.6	172.9	-63.1	-59.4	-170.9	171.3	0	113.9	A649 D652 W689 M691 L695	A649-K693 HydrophobicContact CB-CB 3.79Å; A649-K693 HydrophobicContact CB-CD 4.13Å; A649-K693 HydrophobicContact CB-CG 3.9Å; D652-K693 WeakPolarHBondContact OD2-CE 3.3Å; D652-K693 IonicContact OD2-NZ 2.76Å; D652-K693 PolarHBondContact OD2-NZ 3.48Å; W689-K693 WeakPolarHBondContact O-CB 3.49Å; W689-K693 WeakPolarHBondContact O-CG 3.48Å; W689-K693 PolarHBondContact O-N 2.82Å; M691-K693 PolarHBondContact O-N 3.17Å; K693-L695 HydrophobicContact CB-CD1 4.49Å; K693-L695 HydrophobicContact CB-CG 4.08Å; K693-L695 PolarHBondContact O-N 2.92Å
694	G	85.1	Confident	79.6	Confident	42 Å²	42	58.3 Å²	58.3	43%	0.433	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	24.9	177.4	0	0	0	0	0	114.7	A690 M691 P710	A690-G694 PolarHBondContact O-N 2.76Å; M691-G694 PolarHBondContact O-N 2.69Å; G694-P710 WeakPolarHBondContact O-CG 3.43Å
695	L	86.8	Confident	78.7	Confident	12 Å²	12	57.2 Å²	57.2	6%	0.063	32%	0.322	C	S	.	.	S	Bend	trans	-83	-25.9	177.6	-54	-173.4	0	0	0	112	L646 A649 L661 W689 A690 K693 F709 P710	L646-L695 HydrophobicContact CD2-CD1 3.89Å; L646-L695 HydrophobicContact CD2-CD2 3.55Å; L646-L695 HydrophobicContact CD2-CG 4.37Å; A649-L695 HydrophobicContact CB-CD1 4.34Å; A649-L695 HydrophobicContact CB-CD2 4.4Å; L661-L695 HydrophobicContact CD2-CB 4.17Å; L661-L695 HydrophobicContact CD2-CD1 4.04Å; W689-L695 HydrophobicContact CH2-CD1 3.51Å; W689-L695 HydrophobicContact CZ2-CD1 3.79Å; W689-L695 HydrophobicContact CZ3-CD1 4.05Å; A690-L695 HydrophobicContact CB-CB 4.32Å; A690-L695 PolarHBondContact O-N 2.97Å; K693-L695 HydrophobicContact CB-CD1 4.49Å; K693-L695 HydrophobicContact CB-CG 4.08Å; K693-L695 PolarHBondContact O-N 2.92Å; L695-F709 VanDerWaalsContact O-CD1 3.32Å; L695-F709 WeakPolarHBondContact O-CD1 3.23Å; L695-P710 WeakPolarHBondContact O-CD 3.4Å
696	V	87.6	Confident	78.4	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.012	30%	0.297	C	S	.	.	S	Bend	trans	-129.2	150.7	164.5	-65	0	0	0	0	108.8	L661 L676 F681 A690 M691 L707 A708 F709	L661-V696 HydrophobicContact CD1-CG1 4.42Å; L676-V696 HydrophobicContact CD1-CG1 3.92Å; F681-V696 HydrophobicContact CE1-CG2 4.38Å; F681-V696 HydrophobicContact CZ-CG1 4.42Å; F681-V696 HydrophobicContact CZ-CG2 4.22Å; A690-V696 HydrophobicContact CB-CG2 3.8Å; A690-V696 PolarHBondContact O-N 2.97Å; M691-V696 HydrophobicContact CG-CG2 3.98Å; M691-V696 HydrophobicContact SD-CG2 3.9Å; V696-L707 HydrophobicContact CG2-CD1 4.35Å; V696-A708 CarbonylContact C-O 3.56Å; V696-A708 WeakPolarHBondContact CA-O 3.49Å; V696-F709 HydrophobicContact CG1-CD1 4.08Å; V696-F709 HydrophobicContact CG1-CE1 3.97Å; V696-F709 HydrophobicContact CG1-CZ 4.46Å
697	Q	85.2	Confident	78.4	Confident	73 Å²	73	52.1 Å²	52.1	34%	0.341	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-145	162.2	179.4	67.2	-177.8	25.7	0	0	109.9	L707 A708 P710	Q697-L707 CarbonylContact O-C 3.57Å; Q697-L707 WeakPolarHBondContact O-CA 3.4Å; Q697-A708 PolarHBondContact N-O 2.88Å; Q697-A708 PolarHBondContact O-N 3.06Å; Q697-P710 HydrophobicContact CB-CG 4.41Å; Q697-P710 HydrophobicContact CG-CB 4.34Å; Q697-P710 HydrophobicContact CG-CG 3.91Å
698	H	80.6	Confident	78.3	Confident	81 Å²	81	50 Å²	50	38%	0.375	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-69.2	133	168.8	-65.4	-70.3	0	0	0	110.2	M691 E704 E706 L707	M691-H698 WeakPolarHBondContact CE-NE2 3.26Å; H698-E704 PolarHBondContact CE1-O 3.01Å; H698-E706 PolarHBondContact ND1-O 2.93Å; H698-L707 VanDerWaalsContact CE1-CD2 3.41Å; H698-L707 WeakPolarHBondContact CE1-CD2 3.3Å; H698-L707 WeakPolarHBondContact ND1-CD2 3.4Å
699	P	70.9	Confident	78.3	Confident	12 Å²	12	46.5 Å²	46.5	8%	0.078	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-64.3	146.9	170.5	-8.3	18	0	0	0	111	T675 R701 A702 E706 A708	T675-P699 HydrophobicContact CG2-CG 4.17Å; P699-R701 PolarHBondContact O-N 3.44Å; P699-A702 HydrophobicContact CB-CB 3.7Å; P699-A702 HydrophobicContact CG-CB 3.57Å; P699-A702 WeakPolarHBondContact O-CB 3.33Å; P699-A702 PolarHBondContact O-N 3.01Å; P699-A702 VanDerWaalsContact O-N 3.16Å; P699-E706 VanDerWaalsContact CD-O 3.3Å; P699-E706 WeakPolarHBondContact CD-O 3.3Å; P699-A708 HydrophobicContact CG-CB 3.89Å
700	P	62.9	Low	77.9	Confident	96 Å²	96	47.6 Å²	47.6	62%	0.623	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	129.7	173.3	26.5	-33.6	0	0	0	110.3	A702	P700-A702 VanDerWaalsContact C-N 3.28Å; P700-A702 PolarHBondContact O-N 2.73Å
701	R	60.1	Low	77.7	Confident	90 Å²	90	48.3 Å²	48.3	34%	0.34	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	11.7	-175.5	-43.4	-177.5	-164.8	143.5	6.9	116.6	E353 S451 P699	E353-R701 IonicContact OE1-CZ 3.65Å; E353-R701 VanDerWaalsContact OE1-CZ 3.22Å; E353-R701 IonicContact OE1-NE 2.99Å; E353-R701 PolarHBondContact OE1-NE 2.89Å; E353-R701 IonicContact OE1-NH2 2.8Å; E353-R701 PolarHBondContact OE1-NH2 2.91Å; E353-R701 IonicContact OE2-CZ 2.75Å; E353-R701 IonicContact OE2-NE 2.69Å; E353-R701 IonicContact OE2-NH2 2.74Å; E353-R701 PolarHBondContact OE2-NH2 2.72Å; S451-R701 PolarHBondContact O-NH1 2.94Å; S451-R701 PolarHBondContact OG-NH1 3.38Å; P699-R701 PolarHBondContact O-N 3.44Å
702	A	59.5	Low	77.5	Confident	25 Å²	25	47 Å²	47	21%	0.207	27%	0.273	C	S	.	.			trans	-80.7	170.5	171.6	0	0	0	0	0	112.5	P699 P700 E706	P699-A702 HydrophobicContact CB-CB 3.7Å; P699-A702 HydrophobicContact CG-CB 3.57Å; P699-A702 WeakPolarHBondContact O-CB 3.33Å; P699-A702 PolarHBondContact O-N 3.01Å; P699-A702 VanDerWaalsContact O-N 3.16Å; P700-A702 VanDerWaalsContact C-N 3.28Å; P700-A702 PolarHBondContact O-N 2.73Å; A702-E706 HydrophobicContact CB-CB 4.02Å
703	A	60.4	Low	77.6	Confident	38 Å²	38	43.7 Å²	43.7	31%	0.314	24%	0.243	S	C	.	.			trans	-73	156.1	172.7	0	0	0	0	0	111.7	S705 E706	A703-S705 PolarHBondContact O-N 3.18Å; A703-E706 HydrophobicContact CB-CG 4.49Å; A703-E706 PolarHBondContact N-OE2 3.25Å; A703-E706 PolarHBondContact O-N 3.11Å
704	E	61.1	Low	77.8	Confident	179 Å²	179	41 Å²	41	84%	0.836	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-19.4	178.4	-63	-174.7	155.4	0	0	113.7	H698	H698-E704 PolarHBondContact CE1-O 3.01Å
705	S	67.3	Low	78	Confident	47 Å²	47	39.2 Å²	39.2	33%	0.329	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-10.8	174.7	64.4	0	0	0	0	114.5	E678 A703	E678-S705 WeakPolarHBondContact CG-O 3.44Å; E678-S705 WeakPolarHBondContact OE1-CA 3.38Å; A703-S705 PolarHBondContact O-N 3.18Å
706	E	78.4	Confident	78.1	Confident	9 Å²	9	38.7 Å²	38.7	4%	0.042	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	131.3	-175.5	-76.8	168.4	170	0	0	110.8	R459 Q677 H698 P699 A702 A703	R459-E706 IonicContact CZ-OE1 2.62Å; R459-E706 IonicContact CZ-OE2 3.41Å; R459-E706 IonicContact NE-OE1 3.46Å; R459-E706 PolarHBondContact NE-OE1 3.33Å; R459-E706 IonicContact NH2-OE1 3.5Å; R459-E706 PolarHBondContact NH2-OE1 3.34Å; R459-E706 IonicContact NH2-OE2 2.85Å; R459-E706 PolarHBondContact NH2-OE2 3.27Å; Q677-E706 PolarHBondContact NE2-OE1 2.85Å; H698-E706 PolarHBondContact ND1-O 2.93Å; P699-E706 VanDerWaalsContact CD-O 3.3Å; P699-E706 WeakPolarHBondContact CD-O 3.3Å; A702-E706 HydrophobicContact CB-CB 4.02Å; A703-E706 HydrophobicContact CB-CG 4.49Å; A703-E706 PolarHBondContact N-OE2 3.25Å; A703-E706 PolarHBondContact O-N 3.11Å
707	L	84.8	Confident	78.3	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	161.1	179.3	-72.7	174.3	0	0	0	110.6	T675 L676 F681 R687 M691 V696 Q697 H698	T675-L707 CarbonylContact C-O 3.36Å; T675-L707 VanDerWaalsContact CA-O 3.26Å; T675-L707 WeakPolarHBondContact CA-O 3.16Å; L676-L707 HydrophobicContact CB-CB 4Å; L676-L707 PolarHBondContact N-O 3.32Å; L676-L707 PolarHBondContact O-N 3.05Å; F681-L707 HydrophobicContact CE2-CD1 3.73Å; F681-L707 HydrophobicContact CZ-CD1 3.72Å; R687-L707 HydrophobicContact CG-CD1 4.22Å; M691-L707 HydrophobicContact CE-CD2 3.99Å; M691-L707 HydrophobicContact SD-CD1 4.17Å; M691-L707 HydrophobicContact SD-CD2 3.38Å; M691-L707 WeakPolarHBondContact SD-CD2 3.2Å; M691-L707 HydrophobicContact SD-CG 4.45Å; V696-L707 HydrophobicContact CG2-CD1 4.35Å; Q697-L707 CarbonylContact O-C 3.57Å; Q697-L707 WeakPolarHBondContact O-CA 3.4Å; H698-L707 VanDerWaalsContact CE1-CD2 3.41Å; H698-L707 WeakPolarHBondContact CE1-CD2 3.3Å; H698-L707 WeakPolarHBondContact ND1-CD2 3.4Å
708	A	85.4	Confident	78.7	Confident	14 Å²	14	35.1 Å²	35.1	12%	0.116	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	161.6	171.8	0	0	0	0	0	111.3	S674 V696 Q697 P699	S674-A708 WeakPolarHBondContact O-CB 3.28Å; V696-A708 CarbonylContact C-O 3.56Å; V696-A708 WeakPolarHBondContact CA-O 3.49Å; Q697-A708 PolarHBondContact N-O 2.88Å; Q697-A708 PolarHBondContact O-N 3.06Å; P699-A708 HydrophobicContact CG-CB 3.89Å
709	F	87.7	Confident	79.2	Confident	15 Å²	15	31.2 Å²	31.2	7%	0.066	18%	0.175	C	C	.	.			trans	-72	132.8	167.9	-67.1	-79.5	0	0	0	109.8	L661 A665 L668 L676 L695 V696 S711 Q715 L718	L661-F709 HydrophobicContact CD1-CE1 3.91Å; L661-F709 HydrophobicContact CD1-CZ 3.97Å; L661-F709 HydrophobicContact CG-CE1 4.16Å; L661-F709 HydrophobicContact CG-CZ 4.45Å; A665-F709 HydrophobicContact CB-CE1 4.4Å; A665-F709 HydrophobicContact CB-CE2 3.98Å; A665-F709 HydrophobicContact CB-CZ 3.71Å; L668-F709 HydrophobicContact CD1-CE2 4.15Å; L676-F709 HydrophobicContact CD1-CE2 4.09Å; L676-F709 HydrophobicContact CD1-CZ 4.34Å; L695-F709 VanDerWaalsContact O-CD1 3.32Å; L695-F709 WeakPolarHBondContact O-CD1 3.23Å; V696-F709 HydrophobicContact CG1-CD1 4.08Å; V696-F709 HydrophobicContact CG1-CE1 3.97Å; V696-F709 HydrophobicContact CG1-CZ 4.46Å; F709-S711 PolarHBondContact O-N 2.65Å; F709-Q715 HydrophobicContact CB-CB 4.1Å; F709-Q715 HydrophobicContact CD2-CB 3.86Å; F709-Q715 HydrophobicContact CD2-CG 3.56Å; F709-Q715 HydrophobicContact CE2-CB 4.49Å; F709-Q715 HydrophobicContact CE2-CG 3.83Å; F709-Q715 HydrophobicContact CG-CB 3.94Å; F709-Q715 HydrophobicContact CG-CG 4.16Å; F709-L718 HydrophobicContact CD1-CD1 3.91Å; F709-L718 HydrophobicContact CE1-CD1 3.45Å; F709-L718 VanDerWaalsContact CE1-CD1 3.45Å; F709-L718 HydrophobicContact CZ-CD1 4.28Å
710	P	83	Confident	80.2	Confident	40 Å²	40	30.7 Å²	30.7	26%	0.26	17%	0.172	S	C	.	.	S	Bend	trans	-59.3	-14.7	179.2	-22.8	28.6	0	0	0	115.5	G694 L695 Q697	G694-P710 WeakPolarHBondContact O-CG 3.43Å; L695-P710 WeakPolarHBondContact O-CD 3.4Å; Q697-P710 HydrophobicContact CB-CG 4.41Å; Q697-P710 HydrophobicContact CG-CB 4.34Å; Q697-P710 HydrophobicContact CG-CG 3.91Å
711	S	84.2	Confident	81.6	Confident	16 Å²	16	26.1 Å²	26.1	11%	0.112	14%	0.142	C	C	.	.			trans	-150.8	134.8	177.6	173.8	0	0	0	0	111.4	T613 F709 L713 L714 Q715	T613-S711 VanDerWaalsContact CG2-OG 3.3Å; T613-S711 WeakPolarHBondContact CG2-OG 3.48Å; F709-S711 PolarHBondContact O-N 2.65Å; S711-L713 PolarHBondContact O-N 3.22Å; S711-L713 PolarHBondContact OG-N 2.78Å; S711-L714 WeakPolarHBondContact O-CB 3.44Å; S711-L714 PolarHBondContact O-N 3.14Å; S711-Q715 PolarHBondContact O-N 3.39Å; S711-Q715 VanDerWaalsContact O-N 3.11Å
712	F	84.4	Confident	83.1	Confident	34 Å²	34	23 Å²	23	15%	0.149	13%	0.13	C	C	.	.	H	α-helix	trans	-53.1	-34	167.5	177.5	-91.6	0	0	0	112.4	A423 Q715 C716 W751	A423-F712 HydrophobicContact CB-CB 4.2Å; A423-F712 HydrophobicContact CB-CD1 3.35Å; A423-F712 HydrophobicContact CB-CE1 3.92Å; A423-F712 HydrophobicContact CB-CG 3.9Å; F712-Q715 PolarHBondContact O-N 2.91Å; F712-C716 WeakPolarHBondContact CE1-SG 3.42Å; F712-C716 PolarHBondContact O-N 3.26Å; F712-C716 PolarHBondContact O-SG 3.21Å; F712-W751 HydrophobicContact CD2-CE3 4.34Å; F712-W751 AromaticContact CD2-CH2 3.78Å; F712-W751 HydrophobicContact CD2-CH2 3.78Å; F712-W751 AromaticContact CD2-CZ3 3.55Å; F712-W751 HydrophobicContact CD2-CZ3 3.55Å; F712-W751 HydrophobicContact CE2-CD2 4.26Å; F712-W751 AromaticContact CE2-CE3 3.44Å; F712-W751 HydrophobicContact CE2-CE3 3.44Å; F712-W751 VanDerWaalsContact CE2-CE3 3.44Å; F712-W751 AromaticContact CE2-CH2 3.59Å; F712-W751 HydrophobicContact CE2-CH2 3.59Å; F712-W751 HydrophobicContact CE2-CZ2 4.44Å; F712-W751 AromaticContact CE2-CZ3 3.08Å; F712-W751 HydrophobicContact CE2-CZ3 3.08Å; F712-W751 HydrophobicContact CZ-CD2 4.39Å; F712-W751 AromaticContact CZ-CE3 3.98Å; F712-W751 HydrophobicContact CZ-CE3 3.98Å; F712-W751 HydrophobicContact CZ-CH2 4.24Å; F712-W751 AromaticContact CZ-CZ3 3.94Å; F712-W751 HydrophobicContact CZ-CZ3 3.94Å; F712-W751 WeakPolarHBondContact CZ-O 3.28Å
713	L	87.9	Confident	84.5	Confident	19 Å²	19	21.8 Å²	21.8	10%	0.099	12%	0.12	C	C	.	.	H	α-helix	trans	-74.4	-31.5	178.6	-64.9	175.2	0	0	0	112.3	L614 Y642 S711 C716 F717 F758	L614-L713 HydrophobicContact CD1-CD1 3.98Å; L614-L713 HydrophobicContact CD2-CD1 3.69Å; L614-L713 HydrophobicContact CG-CD1 3.77Å; Y642-L713 HydrophobicContact CE2-CB 4.44Å; Y642-L713 WeakPolarHBondContact OH-CB 3.36Å; S711-L713 PolarHBondContact O-N 3.22Å; S711-L713 PolarHBondContact OG-N 2.78Å; L713-C716 WeakPolarHBondContact O-CB 3.43Å; L713-C716 PolarHBondContact O-N 2.91Å; L713-F717 WeakPolarHBondContact O-CB 3.1Å; L713-F717 PolarHBondContact O-N 2.84Å; L713-F758 WeakPolarHBondContact O-CE2 3.4Å
714	L	89.7	Confident	85.9	Confident	16 Å²	16	20 Å²	20	8%	0.084	11%	0.105	C	C	.	.	H	α-helix	trans	-65.3	-44.5	170.1	177.5	63.1	0	0	0	110.7	Y642 L646 S711 C716 F717 L718	Y642-L714 HydrophobicContact CD1-CD1 4.04Å; Y642-L714 HydrophobicContact CE1-CB 4.03Å; Y642-L714 HydrophobicContact CE1-CD1 4.2Å; L646-L714 HydrophobicContact CD1-CD1 3.92Å; L646-L714 HydrophobicContact CD2-CD1 4.4Å; L646-L714 HydrophobicContact CG-CD1 4.35Å; S711-L714 WeakPolarHBondContact O-CB 3.44Å; S711-L714 PolarHBondContact O-N 3.14Å; L714-C716 VanDerWaalsContact C-N 3.3Å; L714-C716 PolarHBondContact O-N 2.95Å; L714-F717 WeakPolarHBondContact O-CB 3.3Å; L714-F717 PolarHBondContact O-N 3.41Å; L714-L718 HydrophobicContact CD1-CD1 4.33Å; L714-L718 HydrophobicContact CD1-CG 4.38Å; L714-L718 HydrophobicContact CG-CD1 4.15Å; L714-L718 WeakPolarHBondContact O-CB 3.46Å; L714-L718 WeakPolarHBondContact O-CG 3.42Å; L714-L718 PolarHBondContact O-N 2.74Å
715	Q	89.5	Confident	87.1	Confident	6 Å²	6	13.1 Å²	13.1	3%	0.028	7%	0.074	C	C	.	.	H	α-helix	trans	-64.4	-34.5	175.3	-168.5	-175.2	-6.4	0	0	111.7	A665 Q673 F709 S711 F712 G719 W751	A665-Q715 HydrophobicContact CB-CG 3.85Å; A665-Q715 PolarHBondContact O-NE2 3.38Å; Q673-Q715 PolarHBondContact O-NE2 2.95Å; F709-Q715 HydrophobicContact CB-CB 4.1Å; F709-Q715 HydrophobicContact CD2-CB 3.86Å; F709-Q715 HydrophobicContact CD2-CG 3.56Å; F709-Q715 HydrophobicContact CE2-CB 4.49Å; F709-Q715 HydrophobicContact CE2-CG 3.83Å; F709-Q715 HydrophobicContact CG-CB 3.94Å; F709-Q715 HydrophobicContact CG-CG 4.16Å; S711-Q715 PolarHBondContact O-N 3.39Å; S711-Q715 VanDerWaalsContact O-N 3.11Å; F712-Q715 PolarHBondContact O-N 2.91Å; Q715-G719 PolarHBondContact O-N 3.23Å; Q715-W751 HydrophobicContact CB-CH2 3.77Å; Q715-W751 HydrophobicContact CB-CZ2 4.06Å; Q715-W751 HydrophobicContact CG-CH2 3.46Å; Q715-W751 VanDerWaalsContact CG-CH2 3.46Å; Q715-W751 HydrophobicContact CG-CZ2 3.69Å
716	C	89.9	Confident	88	Confident	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64.8	-44.5	170.1	-73.7	0	0	0	0	112.6	F712 L713 L714 G719 A720 V755 F758	F712-C716 WeakPolarHBondContact CE1-SG 3.42Å; F712-C716 PolarHBondContact O-N 3.26Å; F712-C716 PolarHBondContact O-SG 3.21Å; L713-C716 WeakPolarHBondContact O-CB 3.43Å; L713-C716 PolarHBondContact O-N 2.91Å; L714-C716 VanDerWaalsContact C-N 3.3Å; L714-C716 PolarHBondContact O-N 2.95Å; C716-G719 PolarHBondContact O-N 2.96Å; C716-A720 PolarHBondContact O-N 3.48Å; C716-V755 HydrophobicContact CB-CG2 4.01Å; C716-F758 HydrophobicContact CB-CD2 4.22Å; C716-F758 HydrophobicContact CB-CE2 4.09Å
717	F	92.5	Very high	88.1	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.1	-47.4	176.4	178.6	-84.5	0	0	0	111.2	T639 Y642 V643 L646 L713 L714 G719 A720 L721 F758 L762 L774	T639-F717 HydrophobicContact CG2-CE2 4.08Å; Y642-F717 VanDerWaalsContact CB-CE2 3.45Å; Y642-F717 HydrophobicContact CD1-CB 4.35Å; Y642-F717 HydrophobicContact CD1-CG 4.44Å; Y642-F717 HydrophobicContact CG-CB 4.31Å; Y642-F717 AromaticContact CG-CD2 3.97Å; Y642-F717 HydrophobicContact CG-CD2 3.97Å; Y642-F717 HydrophobicContact CG-CG 4.17Å; V643-F717 HydrophobicContact CG2-CE2 4.11Å; V643-F717 HydrophobicContact CG2-CZ 3.81Å; L646-F717 HydrophobicContact CD1-CD1 3.42Å; L646-F717 VanDerWaalsContact CD1-CD1 3.42Å; L646-F717 HydrophobicContact CD1-CE1 3.27Å; L646-F717 HydrophobicContact CD1-CG 4.45Å; L646-F717 HydrophobicContact CD1-CZ 4.17Å; L713-F717 WeakPolarHBondContact O-CB 3.1Å; L713-F717 PolarHBondContact O-N 2.84Å; L714-F717 WeakPolarHBondContact O-CB 3.3Å; L714-F717 PolarHBondContact O-N 3.41Å; F717-G719 VanDerWaalsContact C-N 3.34Å; F717-G719 PolarHBondContact O-N 3.14Å; F717-A720 WeakPolarHBondContact O-CB 3.35Å; F717-A720 PolarHBondContact O-N 3.32Å; F717-A720 VanDerWaalsContact O-N 3.15Å; F717-L721 HydrophobicContact CE1-CD2 4.47Å; F717-L721 WeakPolarHBondContact O-CB 3.44Å; F717-L721 PolarHBondContact O-N 2.71Å; F717-F758 HydrophobicContact CB-CD2 3.89Å; F717-F758 HydrophobicContact CB-CE2 3.9Å; F717-F758 HydrophobicContact CB-CG 4.21Å; F717-F758 HydrophobicContact CB-CZ 4.21Å; F717-F758 HydrophobicContact CD2-CB 4.29Å; F717-F758 AromaticContact CD2-CD1 3.62Å; F717-F758 HydrophobicContact CD2-CD1 3.62Å; F717-F758 HydrophobicContact CD2-CD2 4.41Å; F717-F758 AromaticContact CD2-CE1 3.92Å; F717-F758 HydrophobicContact CD2-CE1 3.92Å; F717-F758 AromaticContact CD2-CG 3.88Å; F717-F758 HydrophobicContact CD2-CG 3.88Å; F717-F758 HydrophobicContact CD2-CZ 4.45Å; F717-F758 HydrophobicContact CE2-CD1 4.4Å; F717-F758 HydrophobicContact CG-CG 4.5Å; F717-L762 HydrophobicContact CE2-CD1 4.3Å; F717-L762 HydrophobicContact CE2-CD2 4.13Å; F717-L762 HydrophobicContact CE2-CG 4.41Å; F717-L762 HydrophobicContact CZ-CD1 4.32Å; F717-L762 HydrophobicContact CZ-CD2 3.88Å; F717-L774 HydrophobicContact CE1-CD1 4.1Å; F717-L774 HydrophobicContact CZ-CD1 3.98Å
718	L	92.1	Very high	88.1	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.5	-40.1	176.2	-71.8	173.1	0	0	0	111.6	L658 L661 A662 A665 F709 L714 A720 L721 W722	L658-L718 HydrophobicContact CD1-CD2 3.71Å; L661-L718 HydrophobicContact CD2-CD1 4.33Å; L661-L718 HydrophobicContact CG-CD1 4.31Å; A662-L718 VanDerWaalsContact CB-O 3.27Å; A662-L718 WeakPolarHBondContact CB-O 3.31Å; A665-L718 HydrophobicContact CB-CB 3.59Å; A665-L718 HydrophobicContact CB-CD1 4.37Å; F709-L718 HydrophobicContact CD1-CD1 3.91Å; F709-L718 HydrophobicContact CE1-CD1 3.45Å; F709-L718 VanDerWaalsContact CE1-CD1 3.45Å; F709-L718 HydrophobicContact CZ-CD1 4.28Å; L714-L718 HydrophobicContact CD1-CD1 4.33Å; L714-L718 HydrophobicContact CD1-CG 4.38Å; L714-L718 HydrophobicContact CG-CD1 4.15Å; L714-L718 WeakPolarHBondContact O-CB 3.46Å; L714-L718 WeakPolarHBondContact O-CG 3.42Å; L714-L718 PolarHBondContact O-N 2.74Å; L718-A720 PolarHBondContact O-N 3.45Å; L718-L721 HydrophobicContact CD2-CD2 4.36Å; L718-L721 WeakPolarHBondContact O-CB 3.44Å; L718-L721 PolarHBondContact O-N 2.82Å; L718-W722 PolarHBondContact O-N 2.82Å
719	G	91.6	Very high	87.9	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.1	-40.2	171.4	0	0	0	0	0	113.5	Q715 C716 F717 W722 L723	Q715-G719 PolarHBondContact O-N 3.23Å; C716-G719 PolarHBondContact O-N 2.96Å; F717-G719 VanDerWaalsContact C-N 3.34Å; F717-G719 PolarHBondContact O-N 3.14Å; G719-W722 PolarHBondContact O-N 3.04Å; G719-L723 WeakPolarHBondContact O-CG 3.43Å; G719-L723 PolarHBondContact O-N 2.81Å
720	A	92.1	Very high	87.8	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-67.8	-37.2	174.8	0	0	0	0	0	112.5	C716 F717 L718 W722 L723 A724 V755 F758 L759 L762	C716-A720 PolarHBondContact O-N 3.48Å; F717-A720 WeakPolarHBondContact O-CB 3.35Å; F717-A720 PolarHBondContact O-N 3.32Å; F717-A720 VanDerWaalsContact O-N 3.15Å; L718-A720 PolarHBondContact O-N 3.45Å; A720-W722 VanDerWaalsContact C-N 3.34Å; A720-L723 WeakPolarHBondContact O-CB 3.42Å; A720-L723 PolarHBondContact O-N 3.45Å; A720-A724 PolarHBondContact O-N 2.9Å; A720-V755 HydrophobicContact CB-CG1 4.1Å; A720-F758 HydrophobicContact CB-CB 3.51Å; A720-L759 HydrophobicContact CB-CB 4.3Å; A720-L762 HydrophobicContact CB-CD1 4.19Å
721	L	91.6	Very high	88	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.4	-41.9	173.1	-174.9	62.1	0	0	0	111.1	L658 A662 F717 L718 A724 L725 L762 L771 L774	L658-L721 HydrophobicContact CD1-CD2 4.19Å; L658-L721 HydrophobicContact CD2-CD2 4.09Å; L658-L721 HydrophobicContact CG-CD2 3.9Å; A662-L721 HydrophobicContact CB-CB 4.39Å; A662-L721 HydrophobicContact CB-CD2 4.43Å; A662-L721 HydrophobicContact CB-CG 4.46Å; F717-L721 HydrophobicContact CE1-CD2 4.47Å; F717-L721 WeakPolarHBondContact O-CB 3.44Å; F717-L721 PolarHBondContact O-N 2.71Å; L718-L721 HydrophobicContact CD2-CD2 4.36Å; L718-L721 WeakPolarHBondContact O-CB 3.44Å; L718-L721 PolarHBondContact O-N 2.82Å; L721-A724 PolarHBondContact O-N 2.84Å; L721-L725 HydrophobicContact CD1-CD1 3.79Å; L721-L725 HydrophobicContact CD1-CG 4.33Å; L721-L725 HydrophobicContact CG-CD1 3.79Å; L721-L725 WeakPolarHBondContact O-CB 3.26Å; L721-L725 WeakPolarHBondContact O-CD1 3.37Å; L721-L725 VanDerWaalsContact O-CG 3.25Å; L721-L725 WeakPolarHBondContact O-CG 3.36Å; L721-L725 PolarHBondContact O-N 2.99Å; L721-L762 HydrophobicContact CB-CD1 4.08Å; L721-L762 HydrophobicContact CD1-CD1 4.26Å; L721-L762 HydrophobicContact CD1-CD2 4.44Å; L721-L771 HydrophobicContact CD1-CD2 3.41Å; L721-L771 VanDerWaalsContact CD1-CD2 3.41Å; L721-L774 HydrophobicContact CD1-CD1 4.2Å; L721-L774 HydrophobicContact CD2-CD1 4.32Å
722	W	91.1	Very high	88	Confident	24 Å²	24	34.9 Å²	34.9	9%	0.091	18%	0.183	C	C	.	.	H	α-helix	trans	-63.5	-43.9	172.3	-173.3	81.2	0	0	0	112.4	A662 K663 W666 L718 G719 A720 A724 L725 S726 E728 I729	A662-W722 HydrophobicContact CB-CB 3.99Å; K663-W722 VanDerWaalsContact CB-CD1 3.47Å; K663-W722 HydrophobicContact CB-CG 4.37Å; W666-W722 HydrophobicContact CB-CB 4.31Å; W666-W722 HydrophobicContact CB-CD2 4.26Å; W666-W722 HydrophobicContact CB-CE3 4.15Å; W666-W722 HydrophobicContact CB-CG 4.35Å; W666-W722 AromaticContact CD1-CD2 3.89Å; W666-W722 AromaticContact CD1-CE3 3.33Å; W666-W722 AromaticContact CD1-CH2 3.85Å; W666-W722 AromaticContact CD1-CZ3 3.31Å; W666-W722 AromaticContact CD2-CE3 3.78Å; W666-W722 HydrophobicContact CD2-CE3 3.78Å; W666-W722 HydrophobicContact CD2-CZ3 4.05Å; W666-W722 AromaticContact CE2-CE3 3.82Å; W666-W722 AromaticContact CE2-CZ3 3.58Å; W666-W722 HydrophobicContact CG-CD2 4.04Å; W666-W722 AromaticContact CG-CE3 3.49Å; W666-W722 HydrophobicContact CG-CE3 3.49Å; W666-W722 VanDerWaalsContact CG-CE3 3.49Å; W666-W722 AromaticContact CG-CZ3 3.91Å; W666-W722 HydrophobicContact CG-CZ3 3.91Å; W666-W722 HydrophobicContact CZ2-CZ3 4.29Å; W666-W722 AromaticContact NE1-CE3 3.49Å; W666-W722 AromaticContact NE1-CH2 3.68Å; W666-W722 AromaticContact NE1-CZ3 3.03Å; L718-W722 PolarHBondContact O-N 2.82Å; G719-W722 PolarHBondContact O-N 3.04Å; A720-W722 VanDerWaalsContact C-N 3.34Å; W722-A724 VanDerWaalsContact C-N 3.31Å; W722-A724 PolarHBondContact O-N 3.33Å; W722-L725 PolarHBondContact O-N 3.27Å; W722-S726 WeakPolarHBondContact CZ2-OG 3.42Å; W722-S726 WeakPolarHBondContact O-CB 3.31Å; W722-S726 PolarHBondContact O-N 3.08Å; W722-E728 HydrophobicContact CZ2-CB 4.49Å; W722-I729 HydrophobicContact CE3-CD1 3.96Å; W722-I729 HydrophobicContact CH2-CD1 3.89Å; W722-I729 HydrophobicContact CH2-CG1 3.98Å; W722-I729 HydrophobicContact CZ3-CD1 3.3Å; W722-I729 HydrophobicContact CZ3-CG1 3.92Å
723	L	90.1	Very high	88.1	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.2	-41.6	174.8	-70.8	-177.5	0	0	0	112.3	W666 G719 A720 I729 L734 Y737 V755 L759 K786	W666-L723 HydrophobicContact CE3-CD2 4.29Å; W666-L723 HydrophobicContact CE3-CG 4.22Å; W666-L723 HydrophobicContact CH2-CD1 4.14Å; W666-L723 HydrophobicContact CH2-CD2 3.66Å; W666-L723 HydrophobicContact CH2-CG 4.18Å; W666-L723 HydrophobicContact CZ2-CD2 3.83Å; W666-L723 HydrophobicContact CZ3-CD1 3.84Å; W666-L723 HydrophobicContact CZ3-CD2 3.88Å; W666-L723 HydrophobicContact CZ3-CG 3.9Å; G719-L723 WeakPolarHBondContact O-CG 3.43Å; G719-L723 PolarHBondContact O-N 2.81Å; A720-L723 WeakPolarHBondContact O-CB 3.42Å; A720-L723 PolarHBondContact O-N 3.45Å; L723-I729 HydrophobicContact CD2-CD1 3.25Å; L723-I729 HydrophobicContact CG-CD1 4.49Å; L723-L734 HydrophobicContact CB-CD1 4.22Å; L723-Y737 HydrophobicContact CD1-CD1 4.27Å; L723-Y737 HydrophobicContact CD1-CD2 4.35Å; L723-Y737 HydrophobicContact CD1-CG 3.87Å; L723-Y737 HydrophobicContact CD2-CD1 4.35Å; L723-Y737 HydrophobicContact CD2-CD2 4.08Å; L723-Y737 HydrophobicContact CD2-CE1 4.4Å; L723-Y737 HydrophobicContact CD2-CE2 4.16Å; L723-Y737 HydrophobicContact CD2-CG 4.19Å; L723-V755 HydrophobicContact CD1-CG1 3.56Å; L723-L759 HydrophobicContact CB-CD1 3.72Å; L723-L759 HydrophobicContact CB-CD2 4.4Å; L723-L759 HydrophobicContact CD1-CD2 3.92Å; L723-K786 PolarHBondContact O-NZ 2.99Å
724	A	89	Confident	88	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.4	-43.2	177.6	0	0	0	0	0	112.1	A720 L721 W722 L759 L762 I763 K786	A720-A724 PolarHBondContact O-N 2.9Å; L721-A724 PolarHBondContact O-N 2.84Å; W722-A724 VanDerWaalsContact C-N 3.31Å; W722-A724 PolarHBondContact O-N 3.33Å; A724-L759 HydrophobicContact CB-CD1 4.28Å; A724-L762 HydrophobicContact CB-CB 4.46Å; A724-I763 HydrophobicContact CB-CD1 4.3Å; A724-I763 HydrophobicContact CB-CG1 4.03Å; A724-K786 VanDerWaalsContact O-CD 3.22Å; A724-K786 WeakPolarHBondContact O-CD 3.27Å; A724-K786 PolarHBondContact O-NZ 2.94Å
725	L	87.1	Confident	88	Confident	36 Å²	36	35.5 Å²	35.5	19%	0.188	19%	0.187	C	C	.	.	H	α-helix	trans	-89	-34.7	-173.1	-62.1	165.1	0	0	0	114.5	L721 W722 G727 L771 L775 A779	L721-L725 HydrophobicContact CD1-CD1 3.79Å; L721-L725 HydrophobicContact CD1-CG 4.33Å; L721-L725 HydrophobicContact CG-CD1 3.79Å; L721-L725 WeakPolarHBondContact O-CB 3.26Å; L721-L725 WeakPolarHBondContact O-CD1 3.37Å; L721-L725 VanDerWaalsContact O-CG 3.25Å; L721-L725 WeakPolarHBondContact O-CG 3.36Å; L721-L725 PolarHBondContact O-N 2.99Å; W722-L725 PolarHBondContact O-N 3.27Å; L725-G727 PolarHBondContact O-N 2.73Å; L725-L771 HydrophobicContact CD2-CD2 4.46Å; L725-L775 HydrophobicContact CD1-CD1 3.29Å; L725-L775 HydrophobicContact CD2-CD1 3.82Å; L725-L775 HydrophobicContact CG-CD1 4.19Å; L725-A779 HydrophobicContact CD2-CB 4.22Å
726	S	85.6	Confident	87.8	Confident	10 Å²	10	37.4 Å²	37.4	7%	0.07	20%	0.196	C	C	.	.			trans	-62.4	126.6	-166.3	178.4	0	0	0	0	113.4	W722 E728 K786	W722-S726 WeakPolarHBondContact CZ2-OG 3.42Å; W722-S726 WeakPolarHBondContact O-CB 3.31Å; W722-S726 PolarHBondContact O-N 3.08Å; S726-E728 VanDerWaalsContact C-N 3.3Å; S726-E728 WeakPolarHBondContact OG-CB 3.4Å; S726-E728 PolarHBondContact OG-N 3.05Å; S726-E728 VanDerWaalsContact OG-N 3.17Å; S726-K786 PolarHBondContact O-NZ 3.33Å
727	G	80.9	Confident	87.5	Confident	81 Å²	81	38.1 Å²	38.1	84%	0.835	20%	0.199	S	C	*	.	S	Bend	trans	-80.4	-7.4	170.1	0	0	0	0	0	114	L725 I729	L725-G727 PolarHBondContact O-N 2.73Å; G727-I729 VanDerWaalsContact C-N 3.28Å
728	E	83.9	Confident	87.1	Confident	124 Å²	124	38.2 Å²	38.2	58%	0.579	20%	0.199	S	C	*	.	S	Bend	trans	-72.1	-24.7	177.2	-57.5	176.3	-160.2	0	0	111.8	K663 W722 S726	K663-E728 IonicContact NZ-OE1 2.71Å; K663-E728 PolarHBondContact NZ-OE1 3.15Å; K663-E728 IonicContact NZ-OE2 3.05Å; W722-E728 HydrophobicContact CZ2-CB 4.49Å; S726-E728 VanDerWaalsContact C-N 3.3Å; S726-E728 WeakPolarHBondContact OG-CB 3.4Å; S726-E728 PolarHBondContact OG-N 3.05Å; S726-E728 VanDerWaalsContact OG-N 3.17Å
729	I	82.8	Confident	86.3	Confident	14 Å²	14	41.1 Å²	41.1	7%	0.072	22%	0.223	C	C	.	.	S	Bend	trans	-96.4	129.2	-178.8	-52.9	171.1	0	0	0	109.9	W722 L723 G727 E733 Y737	W722-I729 HydrophobicContact CE3-CD1 3.96Å; W722-I729 HydrophobicContact CH2-CD1 3.89Å; W722-I729 HydrophobicContact CH2-CG1 3.98Å; W722-I729 HydrophobicContact CZ3-CD1 3.3Å; W722-I729 HydrophobicContact CZ3-CG1 3.92Å; L723-I729 HydrophobicContact CD2-CD1 3.25Å; L723-I729 HydrophobicContact CG-CD1 4.49Å; G727-I729 VanDerWaalsContact C-N 3.28Å; I729-E733 HydrophobicContact CG2-CB 4.31Å; I729-Y737 HydrophobicContact CG2-CE2 4.18Å
730	K	85.1	Confident	85.9	Confident	127 Å²	127	41.2 Å²	41.2	55%	0.552	22%	0.224	S	C	*	.			trans	-73	136.8	176.5	-49.3	-176.8	-154.9	71.1	0	109.8	K732 E733 L734	K730-K732 PolarHBondContact O-N 3.08Å; K730-E733 HydrophobicContact CB-CG 4.36Å; K730-E733 WeakPolarHBondContact CD-OE1 3.36Å; K730-E733 IonicContact NZ-OE1 3.73Å; K730-E733 PolarHBondContact NZ-OE1 2.96Å; K730-E733 IonicContact NZ-OE2 2.69Å; K730-E733 PolarHBondContact NZ-OE2 2.88Å; K730-E733 WeakPolarHBondContact O-CB 3.33Å; K730-E733 PolarHBondContact O-N 2.82Å; K730-L734 PolarHBondContact O-N 2.76Å
731	D	86.6	Confident	85	Confident	52 Å²	52	43.7 Å²	43.7	28%	0.278	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-36.8	180	-52.3	-32.1	0	0	0	113.2	E733 L734 K786 V789	D731-E733 VanDerWaalsContact C-N 3.28Å; D731-E733 PolarHBondContact O-N 2.71Å; D731-L734 WeakPolarHBondContact O-CB 3.4Å; D731-L734 PolarHBondContact O-N 2.81Å; D731-K786 WeakPolarHBondContact OD1-CG 3.49Å; D731-V789 HydrophobicContact CB-CB 4.46Å; D731-V789 HydrophobicContact CB-CG2 3.84Å; D731-V789 WeakPolarHBondContact O-CG1 3.32Å
732	K	85.1	Confident	83.6	Confident	190 Å²	190	48.6 Å²	48.6	83%	0.826	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-22.8	178.2	-64.7	-176.3	-179.1	179	0	114.5	K730	K730-K732 PolarHBondContact O-N 3.08Å
733	E	85.8	Confident	82.1	Confident	66 Å²	66	53.5 Å²	53.5	31%	0.308	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-26.2	-179.8	-73.5	159.6	-170.9	0	0	111.1	I729 K730 D731 P735 Q736	I729-E733 HydrophobicContact CG2-CB 4.31Å; K730-E733 HydrophobicContact CB-CG 4.36Å; K730-E733 WeakPolarHBondContact CD-OE1 3.36Å; K730-E733 IonicContact NZ-OE1 3.73Å; K730-E733 PolarHBondContact NZ-OE1 2.96Å; K730-E733 IonicContact NZ-OE2 2.69Å; K730-E733 PolarHBondContact NZ-OE2 2.88Å; K730-E733 WeakPolarHBondContact O-CB 3.33Å; K730-E733 PolarHBondContact O-N 2.82Å; D731-E733 VanDerWaalsContact C-N 3.28Å; D731-E733 PolarHBondContact O-N 2.71Å; E733-P735 VanDerWaalsContact C-CD 3.41Å; E733-Q736 WeakPolarHBondContact O-CB 3.48Å; E733-Q736 VanDerWaalsContact O-CD 3.27Å; E733-Q736 WeakPolarHBondContact O-CG 3.36Å; E733-Q736 PolarHBondContact O-N 3.07Å
734	L	87	Confident	80.2	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-51.7	-39.6	-176.4	-165.6	66	0	0	0	115.7	L723 K730 D731 Q736 Y737 L759 I763 K786 L790	L723-L734 HydrophobicContact CB-CD1 4.22Å; K730-L734 PolarHBondContact O-N 2.76Å; D731-L734 WeakPolarHBondContact O-CB 3.4Å; D731-L734 PolarHBondContact O-N 2.81Å; L734-Q736 PolarHBondContact O-N 2.95Å; L734-Y737 HydrophobicContact CD1-CD2 4.27Å; L734-Y737 WeakPolarHBondContact O-CD2 3.11Å; L734-Y737 PolarHBondContact O-N 2.89Å; L734-Y737 VanDerWaalsContact O-N 3.17Å; L734-L759 HydrophobicContact CD1-CD1 4.38Å; L734-L759 HydrophobicContact CD1-CD2 4Å; L734-L759 HydrophobicContact CG-CD2 4.33Å; L734-I763 HydrophobicContact CD2-CD1 3.81Å; L734-K786 HydrophobicContact CD2-CB 3.65Å; L734-K786 HydrophobicContact CD2-CD 3.92Å; L734-K786 HydrophobicContact CD2-CG 3.82Å; L734-L790 HydrophobicContact CB-CD2 4.37Å; L734-L790 HydrophobicContact CD2-CD1 3.97Å; L734-L790 HydrophobicContact CD2-CD2 4.23Å; L734-L790 HydrophobicContact CD2-CG 4.02Å; L734-L790 HydrophobicContact CG-CD1 4.39Å; L734-L790 HydrophobicContact CG-CD2 4.13Å; L734-L790 HydrophobicContact CG-CG 4.44Å
735	P	88	Confident	78.3	Confident	15 Å²	15	73.2 Å²	73.2	10%	0.097	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-54.2	-25.7	176	-28.8	35.7	0	0	0	115.4	E733 Y737 L738 V789 L790 Y793	E733-P735 VanDerWaalsContact C-CD 3.41Å; P735-Y737 PolarHBondContact O-N 3.3Å; P735-L738 PolarHBondContact O-N 2.91Å; P735-V789 HydrophobicContact CG-CG1 4.09Å; P735-L790 HydrophobicContact CB-CD2 4.36Å; P735-L790 HydrophobicContact CG-CD2 3.96Å; P735-Y793 HydrophobicContact CB-CD1 3.85Å; P735-Y793 HydrophobicContact CB-CD2 3.79Å; P735-Y793 HydrophobicContact CB-CE1 4.05Å; P735-Y793 HydrophobicContact CB-CE2 4Å; P735-Y793 HydrophobicContact CB-CG 3.69Å; P735-Y793 HydrophobicContact CG-CD2 4.39Å; P735-Y793 HydrophobicContact CG-CG 4.12Å
736	Q	85.3	Confident	76.7	Confident	47 Å²	47	77.6 Å²	77.6	22%	0.22	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-69	-20.8	-177.2	82	-159.9	-14.3	0	0	113.6	E733 L734 L738 A739	E733-Q736 WeakPolarHBondContact O-CB 3.48Å; E733-Q736 VanDerWaalsContact O-CD 3.27Å; E733-Q736 WeakPolarHBondContact O-CG 3.36Å; E733-Q736 PolarHBondContact O-N 3.07Å; L734-Q736 PolarHBondContact O-N 2.95Å; Q736-L738 VanDerWaalsContact C-N 3.3Å; Q736-A739 PolarHBondContact O-N 2.86Å
737	Y	84.3	Confident	74.6	Confident	15 Å²	15	80.8 Å²	80.8	6%	0.059	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-81.8	-9.3	178	-58.2	-74.5	0	0	0	113.1	W666 L723 I729 L734 P735 Y748 L752	W666-Y737 AromaticContact CH2-CD1 3.69Å; W666-Y737 HydrophobicContact CH2-CD1 3.69Å; W666-Y737 AromaticContact CH2-CE1 3.54Å; W666-Y737 HydrophobicContact CH2-CE1 3.54Å; W666-Y737 HydrophobicContact CZ2-CD1 4.41Å; W666-Y737 AromaticContact CZ2-CE1 3.81Å; W666-Y737 HydrophobicContact CZ2-CE1 3.81Å; L723-Y737 HydrophobicContact CD1-CD1 4.27Å; L723-Y737 HydrophobicContact CD1-CD2 4.35Å; L723-Y737 HydrophobicContact CD1-CG 3.87Å; L723-Y737 HydrophobicContact CD2-CD1 4.35Å; L723-Y737 HydrophobicContact CD2-CD2 4.08Å; L723-Y737 HydrophobicContact CD2-CE1 4.4Å; L723-Y737 HydrophobicContact CD2-CE2 4.16Å; L723-Y737 HydrophobicContact CD2-CG 4.19Å; I729-Y737 HydrophobicContact CG2-CE2 4.18Å; L734-Y737 HydrophobicContact CD1-CD2 4.27Å; L734-Y737 WeakPolarHBondContact O-CD2 3.11Å; L734-Y737 PolarHBondContact O-N 2.89Å; L734-Y737 VanDerWaalsContact O-N 3.17Å; P735-Y737 PolarHBondContact O-N 3.3Å; Y737-Y748 HydrophobicContact CD1-CD2 4.18Å; Y737-Y748 HydrophobicContact CD1-CE2 4.44Å; Y737-Y748 AromaticContact CE1-CD2 3.64Å; Y737-Y748 HydrophobicContact CE1-CD2 3.64Å; Y737-Y748 AromaticContact CE1-CE2 3.48Å; Y737-Y748 HydrophobicContact CE1-CE2 3.48Å; Y737-Y748 VanDerWaalsContact CE1-CE2 3.48Å; Y737-L752 HydrophobicContact CD1-CD1 4.32Å
738	L	84.4	Confident	73.4	Confident	2 Å²	2	80 Å²	80	1%	0.01	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-81.2	-14	169.9	-57	-176.9	0	0	0	112.8	P735 Q736 L740 P756 L759 L790 Y793 L794	P735-L738 PolarHBondContact O-N 2.91Å; Q736-L738 VanDerWaalsContact C-N 3.3Å; L738-L740 HydrophobicContact CB-CD1 4.3Å; L738-L740 HydrophobicContact CB-CG 4.04Å; L738-L740 WeakPolarHBondContact O-CD2 3.14Å; L738-L740 WeakPolarHBondContact O-CG 3.06Å; L738-L740 PolarHBondContact O-N 3.26Å; L738-P756 HydrophobicContact CD2-CB 4.01Å; L738-L759 HydrophobicContact CD2-CB 4.45Å; L738-L759 HydrophobicContact CD2-CD2 4.02Å; L738-L759 HydrophobicContact CD2-CG 4.47Å; L738-L790 HydrophobicContact CD1-CD2 4.08Å; L738-Y793 HydrophobicContact CB-CE1 4.47Å; L738-Y793 HydrophobicContact CD1-CD1 4.06Å; L738-Y793 HydrophobicContact CD1-CE1 4.02Å; L738-L794 HydrophobicContact CD1-CD2 4.17Å
739	A	75.9	Confident	71.9	Confident	61 Å²	61	77.8 Å²	77.8	50%	0.504	37%	0.374	S	S	.	.			trans	56.3	5.1	178	0	0	0	0	0	117.9	Q736 T741	Q736-A739 PolarHBondContact O-N 2.86Å; A739-T741 VanDerWaalsContact C-N 3.3Å; A739-T741 PolarHBondContact O-N 2.89Å
740	L	81.4	Confident	70.6	Confident	1 Å²	1	79.6 Å²	79.6	1%	0.005	38%	0.383	C	S	.	.			trans	-64.3	-23.9	-172.2	-54.8	179.5	0	0	0	115.1	L738 Y793 L794 L797 Q806 E809 L810	L738-L740 HydrophobicContact CB-CD1 4.3Å; L738-L740 HydrophobicContact CB-CG 4.04Å; L738-L740 WeakPolarHBondContact O-CD2 3.14Å; L738-L740 WeakPolarHBondContact O-CG 3.06Å; L738-L740 PolarHBondContact O-N 3.26Å; L740-Y793 HydrophobicContact CD1-CE1 4.37Å; L740-L794 HydrophobicContact CD1-CD2 3.84Å; L740-L797 HydrophobicContact CB-CD1 4.05Å; L740-L797 HydrophobicContact CD1-CD1 3.52Å; L740-L797 HydrophobicContact CG-CD1 4.44Å; L740-Q806 PolarHBondContact O-NE2 2.79Å; L740-E809 HydrophobicContact CD2-CB 3.85Å; L740-E809 HydrophobicContact CD2-CG 4.05Å; L740-L810 HydrophobicContact CD1-CB 4.14Å; L740-L810 HydrophobicContact CD1-CD1 3.88Å; L740-L810 HydrophobicContact CD2-CB 4.2Å
741	T	74.9	Confident	69.7	Low	52 Å²	52	74 Å²	74	32%	0.319	36%	0.359	S	S	.	.	S	Bend	trans	-108.1	134.6	177.5	55.7	0	0	0	0	112.1	A739 Y793 L797	A739-T741 VanDerWaalsContact C-N 3.3Å; A739-T741 PolarHBondContact O-N 2.89Å; T741-Y793 HydrophobicContact CG2-CE2 4.27Å; T741-Y793 WeakPolarHBondContact CG2-OH 3.46Å; T741-Y793 PolarHBondContact OG1-OH 2.95Å; T741-L797 HydrophobicContact CG2-CD2 3.75Å
742	P	61.6	Low	68.8	Low	103 Å²	103	72.5 Å²	72.5	67%	0.669	35%	0.351	S	S	*	.			trans	-64.3	136.8	179.3	27.6	-34.5	0	0	0	112.4
743	R	59.7	Low	68.1	Low	128 Å²	128	66.2 Å²	66.2	48%	0.483	32%	0.324	S	S	.	.			trans	-130.2	140.8	175.9	-74.1	-173.5	171.4	-171.4	1.4	111	K745	R743-K745 PolarHBondContact O-N 3.37Å; R743-K745 VanDerWaalsContact O-N 3.13Å
744	K	50.8	Low	67.8	Low	225 Å²	225	63.3 Å²	63.3	98%	0.978	31%	0.312	S	S	*	.	S	Bend	trans	-61.7	-18.7	-178.4	-66.4	-171.7	176.7	-174.5	0	115
745	K	48.4	Very low	67.9	Low	189 Å²	189	63.3 Å²	63.3	82%	0.822	31%	0.312	S	S	*	.	S	Bend	trans	-134.5	122.5	158.3	-82.3	-174.7	171.9	-177.7	0	107.2	R743	R743-K745 PolarHBondContact O-N 3.37Å; R743-K745 VanDerWaalsContact O-N 3.13Å
746	R	52.6	Low	68	Low	128 Å²	128	62.9 Å²	62.9	48%	0.483	31%	0.309	S	S	.	.			trans	-82.3	123.8	162.5	-62	171.9	-171.8	155.3	12.4	106.7	E380 D749	E380-R746 IonicContact OE1-CZ 2.64Å; E380-R746 IonicContact OE1-NH1 3.36Å; E380-R746 PolarHBondContact OE1-NH1 3.2Å; E380-R746 IonicContact OE1-NH2 3.7Å; E380-R746 PolarHBondContact OE1-NH2 2.94Å; E380-R746 IonicContact OE2-NH2 3.61Å; R746-D749 WeakPolarHBondContact CB-OD2 3.07Å; R746-D749 VanDerWaalsContact CD-CG 3.46Å; R746-D749 WeakPolarHBondContact CD-OD1 3.27Å; R746-D749 WeakPolarHBondContact CD-OD2 3.47Å; R746-D749 IonicContact CZ-OD1 3.95Å; R746-D749 IonicContact NE-OD1 2.72Å; R746-D749 IonicContact NH1-OD1 2.69Å; R746-D749 PolarHBondContact NH1-OD1 3.42Å; R746-D749 IonicContact NH1-OD2 3.62Å
747	P	42.7	Very low	68.3	Low	76 Å²	76	62.2 Å²	62.2	49%	0.494	31%	0.305	S	S	.	.	S	Bend	trans	-82.3	-14.7	-173.9	28	-32.5	0	0	0	115
748	Y	55.8	Low	68.7	Low	66 Å²	66	61.5 Å²	61.5	26%	0.259	30%	0.302	S	S	.	.	S	Bend	trans	-144.8	64.3	-173	-50.3	-66.9	0	0	0	110.6	R670 Y737 N750	R670-Y748 HydrophobicContact CG-CD1 4.21Å; R670-Y748 HydrophobicContact CG-CE1 4.31Å; Y737-Y748 HydrophobicContact CD1-CD2 4.18Å; Y737-Y748 HydrophobicContact CD1-CE2 4.44Å; Y737-Y748 AromaticContact CE1-CD2 3.64Å; Y737-Y748 HydrophobicContact CE1-CD2 3.64Å; Y737-Y748 AromaticContact CE1-CE2 3.48Å; Y737-Y748 HydrophobicContact CE1-CE2 3.48Å; Y737-Y748 VanDerWaalsContact CE1-CE2 3.48Å; Y748-N750 PolarHBondContact O-N 3.44Å
749	D	52.8	Low	69.1	Low	77 Å²	77	61.4 Å²	61.4	41%	0.412	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-42.9	-153.8	-134.5	-42.9	0	0	0	115.6	R746	R746-D749 WeakPolarHBondContact CB-OD2 3.07Å; R746-D749 VanDerWaalsContact CD-CG 3.46Å; R746-D749 WeakPolarHBondContact CD-OD1 3.27Å; R746-D749 WeakPolarHBondContact CD-OD2 3.47Å; R746-D749 IonicContact CZ-OD1 3.95Å; R746-D749 IonicContact NE-OD1 2.72Å; R746-D749 IonicContact NH1-OD1 2.69Å; R746-D749 PolarHBondContact NH1-OD1 3.42Å; R746-D749 IonicContact NH1-OD2 3.62Å
750	N	54.8	Low	69.9	Low	51 Å²	51	58.6 Å²	58.6	27%	0.273	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-10.7	-164.3	-67.4	-54.5	0	0	0	115.8	R551 Y748	R551-N750 WeakPolarHBondContact CD-OD1 3.37Å; R551-N750 PolarHBondContact NH1-O 2.67Å; Y748-N750 PolarHBondContact O-N 3.44Å
751	W	66.3	Low	70.4	Confident	11 Å²	11	58.5 Å²	58.5	4%	0.042	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-39.7	-179	172.7	-101.8	0	0	0	112.8	F712 Q715 E753	F712-W751 HydrophobicContact CD2-CE3 4.34Å; F712-W751 AromaticContact CD2-CH2 3.78Å; F712-W751 HydrophobicContact CD2-CH2 3.78Å; F712-W751 AromaticContact CD2-CZ3 3.55Å; F712-W751 HydrophobicContact CD2-CZ3 3.55Å; F712-W751 HydrophobicContact CE2-CD2 4.26Å; F712-W751 AromaticContact CE2-CE3 3.44Å; F712-W751 HydrophobicContact CE2-CE3 3.44Å; F712-W751 VanDerWaalsContact CE2-CE3 3.44Å; F712-W751 AromaticContact CE2-CH2 3.59Å; F712-W751 HydrophobicContact CE2-CH2 3.59Å; F712-W751 HydrophobicContact CE2-CZ2 4.44Å; F712-W751 AromaticContact CE2-CZ3 3.08Å; F712-W751 HydrophobicContact CE2-CZ3 3.08Å; F712-W751 HydrophobicContact CZ-CD2 4.39Å; F712-W751 AromaticContact CZ-CE3 3.98Å; F712-W751 HydrophobicContact CZ-CE3 3.98Å; F712-W751 HydrophobicContact CZ-CH2 4.24Å; F712-W751 AromaticContact CZ-CZ3 3.94Å; F712-W751 HydrophobicContact CZ-CZ3 3.94Å; F712-W751 WeakPolarHBondContact CZ-O 3.28Å; Q715-W751 HydrophobicContact CB-CH2 3.77Å; Q715-W751 HydrophobicContact CB-CZ2 4.06Å; Q715-W751 HydrophobicContact CG-CH2 3.46Å; Q715-W751 VanDerWaalsContact CG-CH2 3.46Å; Q715-W751 HydrophobicContact CG-CZ2 3.69Å; W751-E753 PolarHBondContact O-N 2.75Å
752	L	66.8	Low	71.2	Confident	20 Å²	20	56.2 Å²	56.2	11%	0.105	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-73.1	11	-161.4	-64.9	173.5	0	0	0	116.1	W666 Y737 G754 V755 P756	W666-L752 HydrophobicContact CH2-CD2 4.17Å; W666-L752 HydrophobicContact CZ3-CD2 3.83Å; Y737-L752 HydrophobicContact CD1-CD1 4.32Å; L752-G754 VanDerWaalsContact C-N 3.31Å; L752-G754 PolarHBondContact O-N 2.86Å; L752-G754 VanDerWaalsContact O-N 3.08Å; L752-V755 HydrophobicContact CB-CB 4.23Å; L752-V755 HydrophobicContact CD2-CB 3.81Å; L752-V755 HydrophobicContact CD2-CG1 3.82Å; L752-V755 HydrophobicContact CD2-CG2 3.92Å; L752-V755 PolarHBondContact O-N 3.24Å; L752-P756 WeakPolarHBondContact O-CD 3.43Å
753	E	70.6	Confident	72.6	Confident	57 Å²	57	51.5 Å²	51.5	27%	0.266	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-55	-35.4	-167.6	-178.8	173.9	-146.4	0	0	115.7	R551 W751	R551-E753 IonicContact CZ-OE1 3.66Å; R551-E753 IonicContact CZ-OE2 2.74Å; R551-E753 IonicContact NH1-OE2 3.71Å; R551-E753 PolarHBondContact NH1-OE2 3.2Å; R551-E753 IonicContact NH2-OE1 3.78Å; R551-E753 PolarHBondContact NH2-OE1 3.49Å; R551-E753 IonicContact NH2-OE2 3.47Å; R551-E753 PolarHBondContact NH2-OE2 3.05Å; W751-E753 PolarHBondContact O-N 2.75Å
754	G	79.4	Confident	74.1	Confident	5 Å²	5	46.2 Å²	46.2	5%	0.052	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-95.3	-12	173.2	0	0	0	0	0	114.6	L752 R757 F758	L752-G754 VanDerWaalsContact C-N 3.31Å; L752-G754 PolarHBondContact O-N 2.86Å; L752-G754 VanDerWaalsContact O-N 3.08Å; G754-R757 PolarHBondContact O-N 3.32Å; G754-F758 WeakPolarHBondContact O-CD2 3.46Å; G754-F758 WeakPolarHBondContact O-CG 3.36Å; G754-F758 PolarHBondContact O-N 3.04Å
755	V	88.8	Confident	75.9	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-71.4	-41.5	-165.7	178.4	0	0	0	0	113.6	C716 A720 L723 L752 R757 L759	C716-V755 HydrophobicContact CB-CG2 4.01Å; A720-V755 HydrophobicContact CB-CG1 4.1Å; L723-V755 HydrophobicContact CD1-CG1 3.56Å; L752-V755 HydrophobicContact CB-CB 4.23Å; L752-V755 HydrophobicContact CD2-CB 3.81Å; L752-V755 HydrophobicContact CD2-CG1 3.82Å; L752-V755 HydrophobicContact CD2-CG2 3.92Å; L752-V755 PolarHBondContact O-N 3.24Å; V755-R757 VanDerWaalsContact C-N 3.3Å; V755-R757 PolarHBondContact O-N 3.31Å; V755-L759 WeakPolarHBondContact O-CB 3.32Å; V755-L759 PolarHBondContact O-N 2.94Å
756	P	90.1	Very high	77.5	Confident	6 Å²	6	30 Å²	30	4%	0.039	15%	0.149	C	C	.	.	H	α-helix	trans	-54.4	-45.5	174.4	-26.9	32.2	0	0	0	113.1	L738 L752 L759 A760 E809 C813	L738-P756 HydrophobicContact CD2-CB 4.01Å; L752-P756 WeakPolarHBondContact O-CD 3.43Å; P756-L759 PolarHBondContact O-N 2.98Å; P756-A760 WeakPolarHBondContact O-CB 3.32Å; P756-A760 PolarHBondContact O-N 3.36Å; P756-E809 HydrophobicContact CB-CG 4.31Å; P756-E809 HydrophobicContact CG-CG 4.43Å; P756-C813 VanDerWaalsContact CB-SG 3.51Å
757	R	91.5	Very high	78.6	Confident	34 Å²	34	27 Å²	27	13%	0.128	15%	0.146	C	C	.	.	H	α-helix	trans	-62.3	-55.2	-177.8	-53	-171.7	-172.7	-157.8	0.2	110.8	G754 V755 L759 A760 G761 E809 H812 E816	G754-R757 PolarHBondContact O-N 3.32Å; V755-R757 VanDerWaalsContact C-N 3.3Å; V755-R757 PolarHBondContact O-N 3.31Å; R757-L759 VanDerWaalsContact C-N 3.35Å; R757-L759 PolarHBondContact O-N 3.13Å; R757-A760 PolarHBondContact O-N 2.91Å; R757-G761 PolarHBondContact O-N 3.03Å; R757-E809 WeakPolarHBondContact CG-OE1 3.34Å; R757-E809 IonicContact CZ-OE1 3.76Å; R757-E809 IonicContact CZ-OE2 3.65Å; R757-E809 IonicContact NE-OE1 3.97Å; R757-E809 PolarHBondContact NE-OE1 3.1Å; R757-E809 IonicContact NE-OE2 3.97Å; R757-E809 PolarHBondContact NE-OE2 3.06Å; R757-E809 IonicContact NH2-OE1 2.75Å; R757-E809 IonicContact NH2-OE2 2.72Å; R757-E809 PolarHBondContact NH2-OE2 3.01Å; R757-H812 HydrophobicContact CG-CB 4.14Å; R757-H812 VanDerWaalsContact CZ-CG 3.45Å; R757-H812 PolarHBondContact NH1-CD2 3.46Å; R757-H812 PolarHBondContact NH1-CE1 3.31Å; R757-H812 VanDerWaalsContact NH1-CE1 3.26Å; R757-H812 PolarHBondContact NH1-ND1 3.23Å; R757-H812 PolarHBondContact NH1-NE2 2.82Å; R757-H812 PolarHBondContact NH2-CD2 3.36Å; R757-H812 VanDerWaalsContact NH2-CD2 3.33Å; R757-E816 HydrophobicContact CB-CG 4.12Å; R757-E816 WeakPolarHBondContact O-CB 3.38Å
758	F	93.3	Very high	79.8	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.4	-37.5	176.7	-63.6	-45.9	0	0	0	113	L638 Y642 L713 C716 F717 A720 G754 G761 L762	L638-F758 HydrophobicContact CB-CE1 4.47Å; L638-F758 HydrophobicContact CD2-CE1 3.95Å; L638-F758 HydrophobicContact CD2-CZ 4.03Å; L638-F758 HydrophobicContact CG-CE1 3.83Å; L638-F758 HydrophobicContact CG-CZ 4.22Å; Y642-F758 AromaticContact CD2-CE1 3.62Å; Y642-F758 HydrophobicContact CD2-CE1 3.62Å; Y642-F758 AromaticContact CD2-CZ 3.61Å; Y642-F758 HydrophobicContact CD2-CZ 3.61Å; Y642-F758 HydrophobicContact CE2-CE1 4.19Å; Y642-F758 AromaticContact CE2-CZ 3.74Å; Y642-F758 HydrophobicContact CE2-CZ 3.74Å; Y642-F758 HydrophobicContact CG-CE1 4.34Å; Y642-F758 HydrophobicContact CG-CZ 4.38Å; L713-F758 WeakPolarHBondContact O-CE2 3.4Å; C716-F758 HydrophobicContact CB-CD2 4.22Å; C716-F758 HydrophobicContact CB-CE2 4.09Å; F717-F758 HydrophobicContact CB-CD2 3.89Å; F717-F758 HydrophobicContact CB-CE2 3.9Å; F717-F758 HydrophobicContact CB-CG 4.21Å; F717-F758 HydrophobicContact CB-CZ 4.21Å; F717-F758 HydrophobicContact CD2-CB 4.29Å; F717-F758 AromaticContact CD2-CD1 3.62Å; F717-F758 HydrophobicContact CD2-CD1 3.62Å; F717-F758 HydrophobicContact CD2-CD2 4.41Å; F717-F758 AromaticContact CD2-CE1 3.92Å; F717-F758 HydrophobicContact CD2-CE1 3.92Å; F717-F758 AromaticContact CD2-CG 3.88Å; F717-F758 HydrophobicContact CD2-CG 3.88Å; F717-F758 HydrophobicContact CD2-CZ 4.45Å; F717-F758 HydrophobicContact CE2-CD1 4.4Å; F717-F758 HydrophobicContact CG-CG 4.5Å; A720-F758 HydrophobicContact CB-CB 3.51Å; G754-F758 WeakPolarHBondContact O-CD2 3.46Å; G754-F758 WeakPolarHBondContact O-CG 3.36Å; G754-F758 PolarHBondContact O-N 3.04Å; F758-G761 PolarHBondContact O-N 2.95Å; F758-L762 VanDerWaalsContact O-CB 3.27Å; F758-L762 WeakPolarHBondContact O-CB 3.38Å; F758-L762 WeakPolarHBondContact O-CG 3.36Å; F758-L762 PolarHBondContact O-N 2.85Å
759	L	92.6	Very high	80.7	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68.3	-36.9	178.8	-176.6	61.8	0	0	0	111.9	A720 L723 A724 L734 L738 V755 P756 R757 I763	A720-L759 HydrophobicContact CB-CB 4.3Å; L723-L759 HydrophobicContact CB-CD1 3.72Å; L723-L759 HydrophobicContact CB-CD2 4.4Å; L723-L759 HydrophobicContact CD1-CD2 3.92Å; A724-L759 HydrophobicContact CB-CD1 4.28Å; L734-L759 HydrophobicContact CD1-CD1 4.38Å; L734-L759 HydrophobicContact CD1-CD2 4Å; L734-L759 HydrophobicContact CG-CD2 4.33Å; L738-L759 HydrophobicContact CD2-CB 4.45Å; L738-L759 HydrophobicContact CD2-CD2 4.02Å; L738-L759 HydrophobicContact CD2-CG 4.47Å; V755-L759 WeakPolarHBondContact O-CB 3.32Å; V755-L759 PolarHBondContact O-N 2.94Å; P756-L759 PolarHBondContact O-N 2.98Å; R757-L759 VanDerWaalsContact C-N 3.35Å; R757-L759 PolarHBondContact O-N 3.13Å; L759-I763 HydrophobicContact CD1-CD1 3.46Å; L759-I763 VanDerWaalsContact CD1-CD1 3.46Å; L759-I763 HydrophobicContact CD1-CG1 4.22Å; L759-I763 HydrophobicContact CG-CD1 4.01Å; L759-I763 WeakPolarHBondContact O-CB 3.32Å; L759-I763 VanDerWaalsContact O-CG1 3.29Å; L759-I763 WeakPolarHBondContact O-CG1 3.31Å; L759-I763 PolarHBondContact O-N 2.86Å
760	A	93	Very high	82.1	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.008	16%	0.156	C	C	.	.	H	α-helix	trans	-65	-52.6	173.1	0	0	0	0	0	110.7	P756 R757 L762 I763 F764 C813	P756-A760 WeakPolarHBondContact O-CB 3.32Å; P756-A760 PolarHBondContact O-N 3.36Å; R757-A760 PolarHBondContact O-N 2.91Å; A760-L762 PolarHBondContact O-N 2.56Å; A760-I763 PolarHBondContact O-N 2.71Å; A760-F764 HydrophobicContact CB-CD2 4.49Å; A760-F764 VanDerWaalsContact O-CD2 3.28Å; A760-F764 WeakPolarHBondContact O-CD2 3.25Å; A760-F764 PolarHBondContact O-N 3.29Å; A760-C813 HydrophobicContact CB-CB 4.05Å; A760-C813 WeakPolarHBondContact CB-O 3.14Å
761	G	92.9	Very high	83.3	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58	-49.3	179.3	0	0	0	0	0	113.1	R757 F758 I763 F764 Q765 E816	R757-G761 PolarHBondContact O-N 3.03Å; F758-G761 PolarHBondContact O-N 2.95Å; G761-I763 PolarHBondContact O-N 2.88Å; G761-I763 VanDerWaalsContact O-N 3.15Å; G761-F764 PolarHBondContact O-N 3.02Å; G761-Q765 VanDerWaalsContact O-CB 3.27Å; G761-Q765 WeakPolarHBondContact O-CB 3.42Å; G761-Q765 WeakPolarHBondContact O-CG 3.31Å; G761-Q765 PolarHBondContact O-N 2.82Å; G761-E816 VanDerWaalsContact CA-O 3.24Å; G761-E816 WeakPolarHBondContact CA-O 3.28Å
762	L	91.4	Very high	83.6	Confident	3 Å²	3	27 Å²	27	2%	0.016	15%	0.151	C	C	.	.	H	α-helix	trans	-63.9	-20.4	-178.9	-70.7	171.1	0	0	0	114.3	T639 V643 F717 A720 L721 A724 F758 A760 L771 L774	T639-L762 HydrophobicContact CG2-CD2 3.97Å; T639-L762 HydrophobicContact CG2-CG 3.86Å; V643-L762 HydrophobicContact CG2-CD2 4.16Å; F717-L762 HydrophobicContact CE2-CD1 4.3Å; F717-L762 HydrophobicContact CE2-CD2 4.13Å; F717-L762 HydrophobicContact CE2-CG 4.41Å; F717-L762 HydrophobicContact CZ-CD1 4.32Å; F717-L762 HydrophobicContact CZ-CD2 3.88Å; A720-L762 HydrophobicContact CB-CD1 4.19Å; L721-L762 HydrophobicContact CB-CD1 4.08Å; L721-L762 HydrophobicContact CD1-CD1 4.26Å; L721-L762 HydrophobicContact CD1-CD2 4.44Å; A724-L762 HydrophobicContact CB-CB 4.46Å; F758-L762 VanDerWaalsContact O-CB 3.27Å; F758-L762 WeakPolarHBondContact O-CB 3.38Å; F758-L762 WeakPolarHBondContact O-CG 3.36Å; F758-L762 PolarHBondContact O-N 2.85Å; A760-L762 PolarHBondContact O-N 2.56Å; L762-L771 HydrophobicContact CB-CD2 4.39Å; L762-L771 HydrophobicContact CD2-CD2 4.04Å; L762-L771 WeakPolarHBondContact O-CD1 3.32Å; L762-L771 WeakPolarHBondContact O-CG 3.29Å; L762-L774 HydrophobicContact CD2-CD1 4.48Å
763	I	90.8	Very high	84.1	Confident	4 Å²	4	28.1 Å²	28.1	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-101.2	-28.4	-177.7	-69.5	-178.2	0	0	0	112.9	A724 L734 L759 A760 G761 V783 K786 Q787 L790	A724-I763 HydrophobicContact CB-CD1 4.3Å; A724-I763 HydrophobicContact CB-CG1 4.03Å; L734-I763 HydrophobicContact CD2-CD1 3.81Å; L759-I763 HydrophobicContact CD1-CD1 3.46Å; L759-I763 VanDerWaalsContact CD1-CD1 3.46Å; L759-I763 HydrophobicContact CD1-CG1 4.22Å; L759-I763 HydrophobicContact CG-CD1 4.01Å; L759-I763 WeakPolarHBondContact O-CB 3.32Å; L759-I763 VanDerWaalsContact O-CG1 3.29Å; L759-I763 WeakPolarHBondContact O-CG1 3.31Å; L759-I763 PolarHBondContact O-N 2.86Å; A760-I763 PolarHBondContact O-N 2.71Å; G761-I763 PolarHBondContact O-N 2.88Å; G761-I763 VanDerWaalsContact O-N 3.15Å; I763-V783 HydrophobicContact CB-CG1 4.11Å; I763-V783 HydrophobicContact CG1-CG1 3.83Å; I763-V783 HydrophobicContact CG2-CG1 3.94Å; I763-K786 HydrophobicContact CD1-CB 4.36Å; I763-Q787 VanDerWaalsContact CG2-CA 3.44Å; I763-Q787 HydrophobicContact CG2-CB 3.67Å; I763-Q787 HydrophobicContact CG2-CG 4.04Å; I763-Q787 WeakPolarHBondContact O-CG 3.46Å; I763-Q787 PolarHBondContact O-NE2 3.27Å; I763-L790 HydrophobicContact CD1-CD1 3.72Å; I763-L790 HydrophobicContact CG2-CD1 4.26Å
764	F	90.8	Very high	84.6	Confident	18 Å²	18	25.6 Å²	25.6	8%	0.079	15%	0.152	C	C	.	.	H	α-helix	trans	-105.6	-32.5	-175.5	-69.2	-67.9	0	0	0	114.6	A760 G761 Q787 L790 A791 L794 A817 E819 I822	A760-F764 HydrophobicContact CB-CD2 4.49Å; A760-F764 VanDerWaalsContact O-CD2 3.28Å; A760-F764 WeakPolarHBondContact O-CD2 3.25Å; A760-F764 PolarHBondContact O-N 3.29Å; G761-F764 PolarHBondContact O-N 3.02Å; F764-Q787 HydrophobicContact CD1-CG 3.6Å; F764-Q787 HydrophobicContact CE1-CG 3.56Å; F764-L790 HydrophobicContact CE2-CB 3.97Å; F764-L790 HydrophobicContact CE2-CD1 4.46Å; F764-L790 HydrophobicContact CZ-CB 3.64Å; F764-A791 HydrophobicContact CE1-CB 4.04Å; F764-A791 HydrophobicContact CZ-CB 4.35Å; F764-L794 HydrophobicContact CE2-CD1 3.83Å; F764-L794 HydrophobicContact CZ-CD1 4.11Å; F764-A817 CarbonylContact C-O 3.22Å; F764-A817 HydrophobicContact CB-CB 3.65Å; F764-A817 WeakPolarHBondContact CB-O 3.27Å; F764-A817 HydrophobicContact CD2-CB 3.7Å; F764-A817 HydrophobicContact CG-CB 3.88Å; F764-E819 HydrophobicContact CB-CB 4.48Å; F764-E819 HydrophobicContact CD1-CB 4.49Å; F764-E819 HydrophobicContact CD1-CG 4.45Å; F764-I822 HydrophobicContact CD1-CD1 3.92Å; F764-I822 HydrophobicContact CD2-CD1 4.35Å; F764-I822 HydrophobicContact CE1-CD1 3.53Å; F764-I822 HydrophobicContact CE2-CD1 4Å; F764-I822 HydrophobicContact CG-CD1 4.32Å; F764-I822 HydrophobicContact CZ-CD1 3.57Å
765	Q	88.7	Confident	84.5	Confident	11 Å²	11	27.5 Å²	27.5	5%	0.051	16%	0.161	C	C	.	.	S	Bend	trans	-64.8	151.7	178.3	-68.7	-179.8	28.1	0	0	111.2	T637 G761 C770 E816 E818	T637-Q765 PolarHBondContact OG1-NE2 2.85Å; G761-Q765 VanDerWaalsContact O-CB 3.27Å; G761-Q765 WeakPolarHBondContact O-CB 3.42Å; G761-Q765 WeakPolarHBondContact O-CG 3.31Å; G761-Q765 PolarHBondContact O-N 2.82Å; Q765-C770 WeakPolarHBondContact CB-SG 3.11Å; Q765-C770 PolarHBondContact OE1-SG 3.43Å; Q765-E816 WeakPolarHBondContact CG-O 3.49Å; Q765-E816 PolarHBondContact NE2-O 3.22Å; Q765-E818 HydrophobicContact CG-CB 4.29Å; Q765-E818 HydrophobicContact CG-CG 4.16Å
766	P	82.4	Confident	83.7	Confident	63 Å²	63	28.6 Å²	28.6	41%	0.409	17%	0.172	S	C	.	.			trans	-54.5	126.6	-175	-27.8	35.6	0	0	0	112.4	A768 R769 C770	P766-A768 PolarHBondContact O-N 2.89Å; P766-R769 WeakPolarHBondContact O-CA 3.31Å; P766-R769 PolarHBondContact O-N 3.15Å; P766-C770 PolarHBondContact O-N 2.84Å
767	P	75.4	Confident	82.5	Confident	63 Å²	63	34.1 Å²	34.1	41%	0.409	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-55.3	-36.1	-171.7	-30.3	35.3	0	0	0	114.6	R769 C770 L771 G772 A780	P767-R769 PolarHBondContact O-N 3.18Å; P767-C770 CarbonylContact O-C 3.47Å; P767-C770 PolarHBondContact O-N 2.69Å; P767-C770 VanDerWaalsContact O-N 3.12Å; P767-L771 PolarHBondContact O-N 3.11Å; P767-G772 VanDerWaalsContact O-CA 3.3Å; P767-G772 WeakPolarHBondContact O-CA 3.38Å; P767-G772 PolarHBondContact O-N 3.27Å; P767-A780 HydrophobicContact CB-CB 3.68Å; P767-A780 HydrophobicContact CG-CB 4.27Å
768	A	68.4	Low	81.2	Confident	90 Å²	90	37.4 Å²	37.4	74%	0.744	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-63.4	-20.1	176.4	0	0	0	0	0	114.5	P766	P766-A768 PolarHBondContact O-N 2.89Å
769	R	74.1	Confident	79.6	Confident	168 Å²	168	38.1 Å²	38.1	63%	0.634	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-98.8	-10.5	175.2	-68.2	-175.8	174.9	176	-1.1	113.5	V643 P766 P767	V643-R769 WeakPolarHBondContact CG1-O 3.48Å; P766-R769 WeakPolarHBondContact O-CA 3.31Å; P766-R769 PolarHBondContact O-N 3.15Å; P767-R769 PolarHBondContact O-N 3.18Å
770	C	81.5	Confident	78.2	Confident	0 Å²	0	39 Å²	39	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.1	-102.1	-174.5	-61.6	0	0	0	0	112.2	V643 Q765 P766 P767 G772 A773 L774	V643-C770 HydrophobicContact CG2-CB 4.48Å; Q765-C770 WeakPolarHBondContact CB-SG 3.11Å; Q765-C770 PolarHBondContact OE1-SG 3.43Å; P766-C770 PolarHBondContact O-N 2.84Å; P767-C770 CarbonylContact O-C 3.47Å; P767-C770 PolarHBondContact O-N 2.69Å; P767-C770 VanDerWaalsContact O-N 3.12Å; C770-G772 PolarHBondContact O-N 3.14Å; C770-A773 WeakPolarHBondContact O-CA 3.21Å; C770-A773 WeakPolarHBondContact O-CB 3.3Å; C770-A773 PolarHBondContact O-N 3.47Å; C770-L774 PolarHBondContact O-N 3.43Å
771	L	80.3	Confident	76.9	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.021	28%	0.282	C	S	.	.	H	α-helix	trans	-58.8	-33.7	-174.1	-66	174.8	0	0	0	113.5	L721 L725 L762 P767 A773 L774 L775 V783	L721-L771 HydrophobicContact CD1-CD2 3.41Å; L721-L771 VanDerWaalsContact CD1-CD2 3.41Å; L725-L771 HydrophobicContact CD2-CD2 4.46Å; L762-L771 HydrophobicContact CB-CD2 4.39Å; L762-L771 HydrophobicContact CD2-CD2 4.04Å; L762-L771 WeakPolarHBondContact O-CD1 3.32Å; L762-L771 WeakPolarHBondContact O-CG 3.29Å; P767-L771 PolarHBondContact O-N 3.11Å; L771-A773 VanDerWaalsContact C-N 3.34Å; L771-L774 PolarHBondContact O-N 2.97Å; L771-L775 PolarHBondContact O-N 2.86Å; L771-V783 HydrophobicContact CD1-CB 4.24Å; L771-V783 HydrophobicContact CD1-CG1 4.31Å; L771-V783 HydrophobicContact CD1-CG2 3.57Å
772	G	73.3	Confident	75.7	Confident	19 Å²	19	45.6 Å²	45.6	20%	0.196	30%	0.301	C	S	.	.	H	α-helix	trans	-70.3	-27	175	0	0	0	0	0	113.9	P767 C770 L774 G776	P767-G772 VanDerWaalsContact O-CA 3.3Å; P767-G772 WeakPolarHBondContact O-CA 3.38Å; P767-G772 PolarHBondContact O-N 3.27Å; C770-G772 PolarHBondContact O-N 3.14Å; G772-L774 VanDerWaalsContact C-N 3.34Å; G772-G776 VanDerWaalsContact O-CA 3.24Å; G772-G776 WeakPolarHBondContact O-CA 3.45Å; G772-G776 PolarHBondContact O-N 3.35Å
773	A	77.7	Confident	75.3	Confident	44 Å²	44	45.8 Å²	45.8	36%	0.364	30%	0.302	S	S	.	.	H	α-helix	trans	-78.2	-19.6	172.5	0	0	0	0	0	112.7	V643 C770 L771	V643-A773 HydrophobicContact CG1-CB 4.4Å; C770-A773 WeakPolarHBondContact O-CA 3.21Å; C770-A773 WeakPolarHBondContact O-CB 3.3Å; C770-A773 PolarHBondContact O-N 3.47Å; L771-A773 VanDerWaalsContact C-N 3.34Å
774	L	80.1	Confident	74.9	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-98	-30.9	178.4	-66	179.9	0	0	0	114.2	V643 L646 A650 L658 F717 L721 L762 C770 L771 G772	V643-L774 HydrophobicContact CG1-CG 4.4Å; V643-L774 HydrophobicContact CG2-CD1 4.2Å; L646-L774 HydrophobicContact CB-CD2 3.65Å; A650-L774 HydrophobicContact CB-CD2 4.37Å; A650-L774 WeakPolarHBondContact CB-O 3.38Å; L658-L774 HydrophobicContact CD2-CB 3.97Å; L658-L774 HydrophobicContact CD2-CD2 4.4Å; F717-L774 HydrophobicContact CE1-CD1 4.1Å; F717-L774 HydrophobicContact CZ-CD1 3.98Å; L721-L774 HydrophobicContact CD1-CD1 4.2Å; L721-L774 HydrophobicContact CD2-CD1 4.32Å; L762-L774 HydrophobicContact CD2-CD1 4.48Å; C770-L774 PolarHBondContact O-N 3.43Å; L771-L774 PolarHBondContact O-N 2.97Å; G772-L774 VanDerWaalsContact C-N 3.34Å
775	L	77.3	Confident	74.6	Confident	46 Å²	46	57.2 Å²	57.2	24%	0.241	35%	0.35	C	S	.	.	H	α-helix	trans	-141	8.1	-169.7	-67.8	172.5	0	0	0	114	L658 L725 L771 A779	L658-L775 HydrophobicContact CB-CD2 4.18Å; L658-L775 HydrophobicContact CD2-CD2 4.17Å; L658-L775 HydrophobicContact CD2-CG 4.42Å; L725-L775 HydrophobicContact CD1-CD1 3.29Å; L725-L775 HydrophobicContact CD2-CD1 3.82Å; L725-L775 HydrophobicContact CG-CD1 4.19Å; L771-L775 PolarHBondContact O-N 2.86Å; L775-A779 HydrophobicContact CB-CB 3.75Å; L775-A779 HydrophobicContact CD1-CB 4.34Å
776	G	71.9	Confident	74.6	Confident	23 Å²	23	57.1 Å²	57.1	24%	0.237	35%	0.349	C	S	.	.			trans	74.7	174.7	-177.9	0	0	0	0	0	114.4	G772 S778 A779	G772-G776 VanDerWaalsContact O-CA 3.24Å; G772-G776 WeakPolarHBondContact O-CA 3.45Å; G772-G776 PolarHBondContact O-N 3.35Å; G776-S778 VanDerWaalsContact C-N 3.28Å; G776-S778 PolarHBondContact O-N 2.91Å; G776-A779 PolarHBondContact O-N 2.85Å
777	P	65.6	Low	75	Confident	122 Å²	122	57 Å²	57	79%	0.792	34%	0.343	S	S	*	.	H	α-helix	trans	-68.8	-19.6	-167.8	26.1	-35	0	0	0	114.8
778	S	62.8	Low	75.8	Confident	102 Å²	102	59.2 Å²	59.2	71%	0.713	35%	0.346	S	S	*	.	H	α-helix	trans	-69.8	-33.2	-179.4	51.6	0	0	0	0	113.3	G776 A780	G776-S778 VanDerWaalsContact C-N 3.28Å; G776-S778 PolarHBondContact O-N 2.91Å; S778-A780 VanDerWaalsContact C-N 3.31Å; S778-A780 PolarHBondContact O-N 3.1Å
779	A	61.7	Low	76.9	Confident	16 Å²	16	56 Å²	56	13%	0.132	32%	0.318	C	S	.	.	H	α-helix	trans	-65.7	-33.8	-179.5	0	0	0	0	0	112.7	L725 L775 G776 A781 S782	L725-A779 HydrophobicContact CD2-CB 4.22Å; L775-A779 HydrophobicContact CB-CB 3.75Å; L775-A779 HydrophobicContact CD1-CB 4.34Å; G776-A779 PolarHBondContact O-N 2.85Å; A779-A781 VanDerWaalsContact C-N 3.33Å; A779-A781 PolarHBondContact O-N 3.11Å; A779-S782 PolarHBondContact O-N 3.46Å; A779-S782 PolarHBondContact O-OG 3.16Å
780	A	62.5	Low	77.7	Confident	19 Å²	19	48 Å²	48	16%	0.157	29%	0.288	C	S	.	.	H	α-helix	trans	-57.4	-41.3	-175.7	0	0	0	0	0	113.3	P767 S778 S782 V783	P767-A780 HydrophobicContact CB-CB 3.68Å; P767-A780 HydrophobicContact CG-CB 4.27Å; S778-A780 VanDerWaalsContact C-N 3.31Å; S778-A780 PolarHBondContact O-N 3.1Å; A780-S782 PolarHBondContact O-N 3.08Å; A780-V783 PolarHBondContact O-N 3.45Å
781	A	65.1	Low	78.3	Confident	82 Å²	82	49.1 Å²	49.1	68%	0.678	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.7	-175.6	0	0	0	0	0	114.4	A779	A779-A781 VanDerWaalsContact C-N 3.33Å; A779-A781 PolarHBondContact O-N 3.11Å
782	S	68.9	Low	78.8	Confident	57 Å²	57	56 Å²	56	40%	0.399	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-26.9	175.6	69.6	0	0	0	0	113.5	A779 A780	A779-S782 PolarHBondContact O-N 3.46Å; A779-S782 PolarHBondContact O-OG 3.16Å; A780-S782 PolarHBondContact O-N 3.08Å
783	V	81.2	Confident	79.7	Confident	7 Å²	7	57 Å²	57	4%	0.042	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-22.5	-164.2	177.4	0	0	0	0	113.5	I763 L771 A780 R785 K786 Q787	I763-V783 HydrophobicContact CB-CG1 4.11Å; I763-V783 HydrophobicContact CG1-CG1 3.83Å; I763-V783 HydrophobicContact CG2-CG1 3.94Å; L771-V783 HydrophobicContact CD1-CB 4.24Å; L771-V783 HydrophobicContact CD1-CG1 4.31Å; L771-V783 HydrophobicContact CD1-CG2 3.57Å; A780-V783 PolarHBondContact O-N 3.45Å; V783-R785 PolarHBondContact O-N 2.82Å; V783-K786 WeakPolarHBondContact O-CA 3.43Å; V783-K786 WeakPolarHBondContact O-CB 3.22Å; V783-K786 PolarHBondContact O-N 3.17Å; V783-Q787 PolarHBondContact O-N 2.99Å
784	D	82.6	Confident	80.3	Confident	77 Å²	77	54.9 Å²	54.9	41%	0.412	30%	0.303	S	S	.	.	H	α-helix	trans	-38.9	-44	172.8	-105.3	55.2	0	0	0	114.8	K788	D784-K788 WeakPolarHBondContact O-CB 3.42Å; D784-K788 VanDerWaalsContact O-CD 3.26Å; D784-K788 WeakPolarHBondContact O-CD 3.48Å; D784-K788 WeakPolarHBondContact O-CG 3.43Å; D784-K788 PolarHBondContact O-N 3.36Å; D784-K788 IonicContact OD2-NZ 3.63Å; D784-K788 PolarHBondContact OD2-NZ 2.99Å
785	R	85.4	Confident	80.8	Confident	184 Å²	184	58.8 Å²	58.8	69%	0.694	32%	0.32	S	S	*	.	H	α-helix	trans	-70.7	-44.7	-178.6	-62	-177	-178.9	-174.6	1.5	111.8	V783 K788 V789	V783-R785 PolarHBondContact O-N 2.82Å; R785-K788 PolarHBondContact O-N 3.14Å; R785-V789 PolarHBondContact O-N 3.04Å
786	K	89.3	Confident	81.5	Confident	10 Å²	10	66 Å²	66	4%	0.043	34%	0.344	C	S	.	.	H	α-helix	trans	-64.7	-45.8	176.9	-68.8	178.6	176.3	-177	0	111	L723 A724 S726 D731 L734 I763 V783 K788 V789 L790	L723-K786 PolarHBondContact O-NZ 2.99Å; A724-K786 VanDerWaalsContact O-CD 3.22Å; A724-K786 WeakPolarHBondContact O-CD 3.27Å; A724-K786 PolarHBondContact O-NZ 2.94Å; S726-K786 PolarHBondContact O-NZ 3.33Å; D731-K786 WeakPolarHBondContact OD1-CG 3.49Å; L734-K786 HydrophobicContact CD2-CB 3.65Å; L734-K786 HydrophobicContact CD2-CD 3.92Å; L734-K786 HydrophobicContact CD2-CG 3.82Å; I763-K786 HydrophobicContact CD1-CB 4.36Å; V783-K786 WeakPolarHBondContact O-CA 3.43Å; V783-K786 WeakPolarHBondContact O-CB 3.22Å; V783-K786 PolarHBondContact O-N 3.17Å; K786-K788 PolarHBondContact O-N 2.99Å; K786-V789 PolarHBondContact O-N 3.47Å; K786-L790 PolarHBondContact O-N 3.35Å
787	Q	91.1	Very high	82.3	Confident	59 Å²	59	65.6 Å²	65.6	28%	0.276	34%	0.336	S	S	.	.	H	α-helix	trans	-54.6	-50	172.7	-169	-166.8	70.7	0	0	111.2	I763 F764 V783 V789 L790 A791	I763-Q787 VanDerWaalsContact CG2-CA 3.44Å; I763-Q787 HydrophobicContact CG2-CB 3.67Å; I763-Q787 HydrophobicContact CG2-CG 4.04Å; I763-Q787 WeakPolarHBondContact O-CG 3.46Å; I763-Q787 PolarHBondContact O-NE2 3.27Å; F764-Q787 HydrophobicContact CD1-CG 3.6Å; F764-Q787 HydrophobicContact CE1-CG 3.56Å; V783-Q787 PolarHBondContact O-N 2.99Å; Q787-V789 PolarHBondContact O-N 3.36Å; Q787-L790 PolarHBondContact O-N 2.72Å; Q787-A791 VanDerWaalsContact O-CB 3.29Å; Q787-A791 WeakPolarHBondContact O-CB 3Å; Q787-A791 PolarHBondContact O-N 2.74Å
788	K	90.6	Very high	83.5	Confident	110 Å²	110	64.4 Å²	64.4	48%	0.478	32%	0.32	S	S	.	.	H	α-helix	trans	-65.1	-19.1	176.8	-72.6	161.8	-173.6	154.1	0	113.6	D784 R785 K786 R792	D784-K788 WeakPolarHBondContact O-CB 3.42Å; D784-K788 VanDerWaalsContact O-CD 3.26Å; D784-K788 WeakPolarHBondContact O-CD 3.48Å; D784-K788 WeakPolarHBondContact O-CG 3.43Å; D784-K788 PolarHBondContact O-N 3.36Å; D784-K788 IonicContact OD2-NZ 3.63Å; D784-K788 PolarHBondContact OD2-NZ 2.99Å; R785-K788 PolarHBondContact O-N 3.14Å; K786-K788 PolarHBondContact O-N 2.99Å; K788-R792 PolarHBondContact O-NE 3.28Å; K788-R792 PolarHBondContact O-NH2 3.03Å; K788-R792 VanDerWaalsContact O-NH2 3.09Å
789	V	91.8	Very high	84.6	Confident	24 Å²	24	59.6 Å²	59.6	15%	0.145	29%	0.287	C	S	.	.	H	α-helix	trans	-86.2	-47.4	170.9	173.9	0	0	0	0	111.5	D731 P735 R785 K786 Q787 A791 R792 Y793	D731-V789 HydrophobicContact CB-CB 4.46Å; D731-V789 HydrophobicContact CB-CG2 3.84Å; D731-V789 WeakPolarHBondContact O-CG1 3.32Å; P735-V789 HydrophobicContact CG-CG1 4.09Å; R785-V789 PolarHBondContact O-N 3.04Å; K786-V789 PolarHBondContact O-N 3.47Å; Q787-V789 PolarHBondContact O-N 3.36Å; V789-A791 VanDerWaalsContact C-N 3.34Å; V789-A791 PolarHBondContact O-N 2.97Å; V789-R792 PolarHBondContact O-N 2.77Å; V789-Y793 PolarHBondContact O-N 2.91Å
790	L	91.6	Very high	85.7	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.5	-39.3	178.1	-67.1	-170.2	0	0	0	112	L734 P735 L738 I763 F764 K786 Q787 R792 Y793 L794	L734-L790 HydrophobicContact CB-CD2 4.37Å; L734-L790 HydrophobicContact CD2-CD1 3.97Å; L734-L790 HydrophobicContact CD2-CD2 4.23Å; L734-L790 HydrophobicContact CD2-CG 4.02Å; L734-L790 HydrophobicContact CG-CD1 4.39Å; L734-L790 HydrophobicContact CG-CD2 4.13Å; L734-L790 HydrophobicContact CG-CG 4.44Å; P735-L790 HydrophobicContact CB-CD2 4.36Å; P735-L790 HydrophobicContact CG-CD2 3.96Å; L738-L790 HydrophobicContact CD1-CD2 4.08Å; I763-L790 HydrophobicContact CD1-CD1 3.72Å; I763-L790 HydrophobicContact CG2-CD1 4.26Å; F764-L790 HydrophobicContact CE2-CB 3.97Å; F764-L790 HydrophobicContact CE2-CD1 4.46Å; F764-L790 HydrophobicContact CZ-CB 3.64Å; K786-L790 PolarHBondContact O-N 3.35Å; Q787-L790 PolarHBondContact O-N 2.72Å; L790-R792 VanDerWaalsContact C-N 3.3Å; L790-R792 PolarHBondContact O-N 2.92Å; L790-Y793 WeakPolarHBondContact O-CB 3.37Å; L790-Y793 PolarHBondContact O-N 3.07Å; L790-L794 WeakPolarHBondContact O-CG 3.39Å; L790-L794 PolarHBondContact O-N 2.76Å
791	A	92.8	Very high	86.9	Confident	23 Å²	23	65.7 Å²	65.7	19%	0.19	33%	0.33	C	S	.	.	H	α-helix	trans	-58	-42.6	175.6	0	0	0	0	0	112	F764 Q787 V789 Y793 K795	F764-A791 HydrophobicContact CE1-CB 4.04Å; F764-A791 HydrophobicContact CZ-CB 4.35Å; Q787-A791 VanDerWaalsContact O-CB 3.29Å; Q787-A791 WeakPolarHBondContact O-CB 3Å; Q787-A791 PolarHBondContact O-N 2.74Å; V789-A791 VanDerWaalsContact C-N 3.34Å; V789-A791 PolarHBondContact O-N 2.97Å; A791-Y793 VanDerWaalsContact C-N 3.31Å; A791-Y793 PolarHBondContact O-N 3.36Å; A791-K795 VanDerWaalsContact O-CB 3.31Å; A791-K795 WeakPolarHBondContact O-CB 3.29Å; A791-K795 WeakPolarHBondContact O-CG 3.46Å; A791-K795 PolarHBondContact O-N 3.17Å
792	R	91.9	Very high	88	Confident	149 Å²	149	62.9 Å²	62.9	56%	0.562	30%	0.304	S	S	*	.	H	α-helix	trans	-75.3	-15.7	176.4	-78.1	-179.3	-67.4	157.9	0.9	113.8	K788 V789 L790 R796	K788-R792 PolarHBondContact O-NE 3.28Å; K788-R792 PolarHBondContact O-NH2 3.03Å; K788-R792 VanDerWaalsContact O-NH2 3.09Å; V789-R792 PolarHBondContact O-N 2.77Å; L790-R792 VanDerWaalsContact C-N 3.3Å; L790-R792 PolarHBondContact O-N 2.92Å; R792-R796 WeakPolarHBondContact O-CD 3.42Å; R792-R796 WeakPolarHBondContact O-CG 3.45Å; R792-R796 PolarHBondContact O-NE 3.07Å
793	Y	91.9	Very high	88.8	Confident	38 Å²	38	69 Å²	69	15%	0.149	32%	0.318	C	S	.	.	H	α-helix	trans	-83.6	-50	171.4	171.5	-107.9	0	0	0	110.6	P735 L738 L740 T741 V789 L790 A791 K795 R796 L797	P735-Y793 HydrophobicContact CB-CD1 3.85Å; P735-Y793 HydrophobicContact CB-CD2 3.79Å; P735-Y793 HydrophobicContact CB-CE1 4.05Å; P735-Y793 HydrophobicContact CB-CE2 4Å; P735-Y793 HydrophobicContact CB-CG 3.69Å; P735-Y793 HydrophobicContact CG-CD2 4.39Å; P735-Y793 HydrophobicContact CG-CG 4.12Å; L738-Y793 HydrophobicContact CB-CE1 4.47Å; L738-Y793 HydrophobicContact CD1-CD1 4.06Å; L738-Y793 HydrophobicContact CD1-CE1 4.02Å; L740-Y793 HydrophobicContact CD1-CE1 4.37Å; T741-Y793 HydrophobicContact CG2-CE2 4.27Å; T741-Y793 WeakPolarHBondContact CG2-OH 3.46Å; T741-Y793 PolarHBondContact OG1-OH 2.95Å; V789-Y793 PolarHBondContact O-N 2.91Å; L790-Y793 WeakPolarHBondContact O-CB 3.37Å; L790-Y793 PolarHBondContact O-N 3.07Å; A791-Y793 VanDerWaalsContact C-N 3.31Å; A791-Y793 PolarHBondContact O-N 3.36Å; Y793-K795 PolarHBondContact O-N 3.47Å; Y793-R796 WeakPolarHBondContact O-CB 3.38Å; Y793-R796 PolarHBondContact O-N 2.99Å; Y793-R796 VanDerWaalsContact O-N 3.12Å; Y793-L797 HydrophobicContact CE1-CD1 4.13Å; Y793-L797 HydrophobicContact CE2-CD2 4.24Å; Y793-L797 PolarHBondContact O-N 3.09Å
794	L	91.2	Very high	89.1	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-61.6	-44.9	178.5	-65.2	171.7	0	0	0	111.1	L738 L740 F764 L790 R796 L797 L810 I822	L738-L794 HydrophobicContact CD1-CD2 4.17Å; L740-L794 HydrophobicContact CD1-CD2 3.84Å; F764-L794 HydrophobicContact CE2-CD1 3.83Å; F764-L794 HydrophobicContact CZ-CD1 4.11Å; L790-L794 WeakPolarHBondContact O-CG 3.39Å; L790-L794 PolarHBondContact O-N 2.76Å; L794-R796 PolarHBondContact O-N 3.21Å; L794-L797 HydrophobicContact CD2-CD1 4.09Å; L794-L797 PolarHBondContact O-N 3Å; L794-L797 VanDerWaalsContact O-N 3.1Å; L794-L810 HydrophobicContact CD2-CD1 3.79Å; L794-I822 HydrophobicContact CB-CG2 4.43Å; L794-I822 HydrophobicContact CD1-CD1 3.93Å; L794-I822 HydrophobicContact CD1-CG2 4.23Å
795	K	90.5	Very high	89.2	Confident	85 Å²	85	72.2 Å²	72.2	37%	0.37	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	26.9	174.1	-55.8	-177.1	-167.5	-168.5	0	114.6	A791 Y793 E819 G821 I822	A791-K795 VanDerWaalsContact O-CB 3.31Å; A791-K795 WeakPolarHBondContact O-CB 3.29Å; A791-K795 WeakPolarHBondContact O-CG 3.46Å; A791-K795 PolarHBondContact O-N 3.17Å; Y793-K795 PolarHBondContact O-N 3.47Å; K795-E819 WeakPolarHBondContact CE-OE2 3.38Å; K795-E819 IonicContact NZ-OE2 2.82Å; K795-E819 PolarHBondContact NZ-OE2 3Å; K795-G821 WeakPolarHBondContact CE-O 3.4Å; K795-G821 PolarHBondContact NZ-O 3.05Å; K795-I822 HydrophobicContact CG-CG1 4.4Å
796	R	90.4	Very high	89.4	Confident	199 Å²	199	65.1 Å²	65.1	75%	0.751	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.8	-5.2	169.8	-75.3	-179.1	-177.2	-168.4	-5.7	112.5	R792 Y793 L794	R792-R796 WeakPolarHBondContact O-CD 3.42Å; R792-R796 WeakPolarHBondContact O-CG 3.45Å; R792-R796 PolarHBondContact O-NE 3.07Å; Y793-R796 WeakPolarHBondContact O-CB 3.38Å; Y793-R796 PolarHBondContact O-N 2.99Å; Y793-R796 VanDerWaalsContact O-N 3.12Å; L794-R796 PolarHBondContact O-N 3.21Å
797	L	90.1	Very high	89.5	Confident	14 Å²	14	65 Å²	65	7%	0.073	30%	0.302	C	S	.	.			trans	-76.2	146.1	171.8	-63.9	175.7	0	0	0	108.5	L740 T741 Y793 L794 L810	L740-L797 HydrophobicContact CB-CD1 4.05Å; L740-L797 HydrophobicContact CD1-CD1 3.52Å; L740-L797 HydrophobicContact CG-CD1 4.44Å; T741-L797 HydrophobicContact CG2-CD2 3.75Å; Y793-L797 HydrophobicContact CE1-CD1 4.13Å; Y793-L797 HydrophobicContact CE2-CD2 4.24Å; Y793-L797 PolarHBondContact O-N 3.09Å; L794-L797 HydrophobicContact CD2-CD1 4.09Å; L794-L797 PolarHBondContact O-N 3Å; L794-L797 VanDerWaalsContact O-N 3.1Å; L797-L810 HydrophobicContact CB-CD2 4.47Å; L797-L810 HydrophobicContact CD1-CD1 4.05Å; L797-L810 HydrophobicContact CD1-CD2 4.39Å
798	Q	89.4	Confident	89.6	Confident	96 Å²	96	62.7 Å²	62.7	45%	0.449	29%	0.291	S	S	.	.			trans	-112.1	99.5	175.5	-75.1	-79.6	-81.3	0	0	106.7	G800 T801 E829	Q798-G800 VanDerWaalsContact C-N 3.26Å; Q798-G800 PolarHBondContact O-N 3.49Å; Q798-T801 HydrophobicContact CB-CG2 3.88Å; Q798-T801 PolarHBondContact O-N 3.21Å; Q798-T801 PolarHBondContact O-OG1 2.78Å; Q798-E829 PolarHBondContact NE2-OE2 2.85Å
799	P	87.7	Confident	89.6	Confident	2 Å²	2	59 Å²	59	1%	0.013	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-52.2	-41.7	-171.6	-28.3	35.9	0	0	0	113.2	T801 L802 L807 L810 V826 E829 L830	P799-T801 PolarHBondContact O-N 3.26Å; P799-T801 VanDerWaalsContact O-N 3.1Å; P799-L802 WeakPolarHBondContact O-CB 3.13Å; P799-L802 PolarHBondContact O-N 2.91Å; P799-L807 HydrophobicContact CB-CD1 3.73Å; P799-L810 HydrophobicContact CB-CD2 4.47Å; P799-L810 HydrophobicContact CG-CD2 4.19Å; P799-V826 HydrophobicContact CG-CG1 4.49Å; P799-V826 WeakPolarHBondContact CG-O 3.37Å; P799-E829 HydrophobicContact CG-CB 3.88Å; P799-L830 HydrophobicContact CB-CD2 4.09Å
800	G	83.9	Confident	89.7	Confident	50 Å²	50	57.9 Å²	57.9	52%	0.515	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-64.1	-8.5	175.7	0	0	0	0	0	116.6	Q798	Q798-G800 VanDerWaalsContact C-N 3.26Å; Q798-G800 PolarHBondContact O-N 3.49Å
801	T	87.3	Confident	89.8	Confident	112 Å²	112	58 Å²	58	69%	0.687	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-98.9	-5.7	173.1	68.3	0	0	0	0	113.7	Q798 P799	Q798-T801 HydrophobicContact CB-CG2 3.88Å; Q798-T801 PolarHBondContact O-N 3.21Å; Q798-T801 PolarHBondContact O-OG1 2.78Å; P799-T801 PolarHBondContact O-N 3.26Å; P799-T801 VanDerWaalsContact O-N 3.1Å
802	L	87.8	Confident	89.9	Confident	24 Å²	24	57.1 Å²	57.1	13%	0.126	26%	0.261	C	S	.	.	S	Bend	trans	-86.9	144.4	-178.9	-60.3	-177.1	0	0	0	111	P799 Q806 L807 L810	P799-L802 WeakPolarHBondContact O-CB 3.13Å; P799-L802 PolarHBondContact O-N 2.91Å; L802-Q806 HydrophobicContact CB-CB 4.23Å; L802-L807 HydrophobicContact CB-CB 4.25Å; L802-L810 HydrophobicContact CD1-CB 4.18Å; L802-L810 HydrophobicContact CD1-CD2 3.58Å
803	R	87.1	Confident	90	Very high	185 Å²	185	50 Å²	50	70%	0.698	24%	0.235	S	C	*	.			trans	-66	148.1	168.8	-64.4	-178.3	174.9	-170.5	-3.3	109.7	R805 Q806 L807	R803-R805 VanDerWaalsContact C-N 3.34Å; R803-R805 PolarHBondContact O-N 2.91Å; R803-R805 VanDerWaalsContact O-N 3.1Å; R803-Q806 CarbonylContact O-C 3.56Å; R803-Q806 WeakPolarHBondContact O-CA 3.29Å; R803-Q806 WeakPolarHBondContact O-CB 3.48Å; R803-Q806 PolarHBondContact O-N 2.79Å; R803-L807 PolarHBondContact O-N 2.95Å
804	A	87.9	Confident	90.1	Very high	17 Å²	17	48.2 Å²	48.2	14%	0.14	23%	0.228	C	C	.	.	H	α-helix	trans	-35.6	-56.3	178.7	0	0	0	0	0	114.9	Q806 L807 L808 F836 T839	A804-Q806 VanDerWaalsContact C-N 3.33Å; A804-Q806 PolarHBondContact O-N 2.98Å; A804-L807 WeakPolarHBondContact O-CB 3.17Å; A804-L807 PolarHBondContact O-N 2.84Å; A804-L808 WeakPolarHBondContact O-CG 3.43Å; A804-L808 PolarHBondContact O-N 2.85Å; A804-F836 HydrophobicContact CB-CB 4.48Å; A804-F836 HydrophobicContact CB-CD1 3.83Å; A804-F836 HydrophobicContact CB-CG 4.48Å; A804-T839 HydrophobicContact CB-CG2 4.13Å; A804-T839 WeakPolarHBondContact CB-OG1 3.33Å
805	R	84.7	Confident	90.2	Very high	135 Å²	135	49.7 Å²	49.7	51%	0.509	23%	0.234	S	C	.	.	H	α-helix	trans	-62	-32.3	178.5	-176.2	171.5	170.3	-177.1	-5.5	114.6	E382 R803 E809 T839	E382-R805 IonicContact OE1-NH1 3.45Å; E382-R805 PolarHBondContact OE1-NH1 2.97Å; R803-R805 VanDerWaalsContact C-N 3.34Å; R803-R805 PolarHBondContact O-N 2.91Å; R803-R805 VanDerWaalsContact O-N 3.1Å; R805-E809 PolarHBondContact O-N 3.1Å; R805-T839 HydrophobicContact CB-CG2 4.12Å
806	Q	88.3	Confident	90.4	Very high	35 Å²	35	45.8 Å²	45.8	16%	0.164	22%	0.218	C	C	.	.	H	α-helix	trans	-79.6	-32.9	176.1	-62	176.7	-69	0	0	111.6	L740 L802 R803 A804 E809 L810	L740-Q806 PolarHBondContact O-NE2 2.79Å; L802-Q806 HydrophobicContact CB-CB 4.23Å; R803-Q806 CarbonylContact O-C 3.56Å; R803-Q806 WeakPolarHBondContact O-CA 3.29Å; R803-Q806 WeakPolarHBondContact O-CB 3.48Å; R803-Q806 PolarHBondContact O-N 2.79Å; A804-Q806 VanDerWaalsContact C-N 3.33Å; A804-Q806 PolarHBondContact O-N 2.98Å; Q806-E809 PolarHBondContact O-N 3.07Å; Q806-L810 WeakPolarHBondContact O-CB 3.49Å; Q806-L810 PolarHBondContact O-N 3.5Å
807	L	92.2	Very high	90.5	Very high	8 Å²	8	36.3 Å²	36.3	4%	0.042	18%	0.182	C	C	.	.	H	α-helix	trans	-65.4	-45.8	172.5	179.7	59.6	0	0	0	111.1	P799 L802 R803 A804 E809 L810 L811 L830 L834 F836	P799-L807 HydrophobicContact CB-CD1 3.73Å; L802-L807 HydrophobicContact CB-CB 4.25Å; R803-L807 PolarHBondContact O-N 2.95Å; A804-L807 WeakPolarHBondContact O-CB 3.17Å; A804-L807 PolarHBondContact O-N 2.84Å; L807-E809 VanDerWaalsContact C-N 3.33Å; L807-E809 PolarHBondContact O-N 3.37Å; L807-L810 WeakPolarHBondContact O-CB 3.2Å; L807-L810 PolarHBondContact O-N 2.93Å; L807-L811 WeakPolarHBondContact O-CG 3.4Å; L807-L811 PolarHBondContact O-N 3.2Å; L807-L830 HydrophobicContact CD1-CD2 3.98Å; L807-L834 HydrophobicContact CD2-CD2 3.63Å; L807-F836 HydrophobicContact CD2-CE1 4.46Å; L807-F836 HydrophobicContact CD2-CZ 4.35Å
808	L	91.8	Very high	90.6	Very high	9 Å²	9	39.5 Å²	39.5	5%	0.047	20%	0.197	C	C	.	.	H	α-helix	trans	-57.6	-45	173.6	-67.6	171.4	0	0	0	111.6	A804 L810 L811 H812 F836 T839 L841 D845	A804-L808 WeakPolarHBondContact O-CG 3.43Å; A804-L808 PolarHBondContact O-N 2.85Å; L808-L810 VanDerWaalsContact C-N 3.34Å; L808-L810 PolarHBondContact O-N 2.84Å; L808-L811 PolarHBondContact O-N 3.21Å; L808-H812 PolarHBondContact O-CD2 3.43Å; L808-H812 PolarHBondContact O-N 2.85Å; L808-F836 HydrophobicContact CD1-CD1 4.16Å; L808-F836 HydrophobicContact CD1-CE1 4.37Å; L808-F836 HydrophobicContact CD2-CD1 4.15Å; L808-F836 HydrophobicContact CD2-CE1 3.63Å; L808-F836 HydrophobicContact CD2-CZ 4.36Å; L808-F836 HydrophobicContact CG-CD1 4.09Å; L808-F836 HydrophobicContact CG-CE1 3.8Å; L808-T839 HydrophobicContact CD1-CG2 3.95Å; L808-L841 HydrophobicContact CD1-CD2 3.57Å; L808-L841 HydrophobicContact CD2-CD2 3.93Å; L808-L841 HydrophobicContact CG-CD2 4.4Å; L808-D845 HydrophobicContact CD2-CB 4.32Å
809	E	91.4	Very high	90.6	Very high	34 Å²	34	37.9 Å²	37.9	16%	0.159	19%	0.189	C	C	.	.	H	α-helix	trans	-66.7	-34.8	178.7	-159.6	61.1	-140	0	0	112.4	L740 P756 R757 R805 Q806 L807 C813	L740-E809 HydrophobicContact CD2-CB 3.85Å; L740-E809 HydrophobicContact CD2-CG 4.05Å; P756-E809 HydrophobicContact CB-CG 4.31Å; P756-E809 HydrophobicContact CG-CG 4.43Å; R757-E809 WeakPolarHBondContact CG-OE1 3.34Å; R757-E809 IonicContact CZ-OE1 3.76Å; R757-E809 IonicContact CZ-OE2 3.65Å; R757-E809 IonicContact NE-OE1 3.97Å; R757-E809 PolarHBondContact NE-OE1 3.1Å; R757-E809 IonicContact NE-OE2 3.97Å; R757-E809 PolarHBondContact NE-OE2 3.06Å; R757-E809 IonicContact NH2-OE1 2.75Å; R757-E809 IonicContact NH2-OE2 2.72Å; R757-E809 PolarHBondContact NH2-OE2 3.01Å; R805-E809 PolarHBondContact O-N 3.1Å; Q806-E809 PolarHBondContact O-N 3.07Å; L807-E809 VanDerWaalsContact C-N 3.33Å; L807-E809 PolarHBondContact O-N 3.37Å; E809-C813 WeakPolarHBondContact O-CB 3.37Å; E809-C813 PolarHBondContact O-N 3.41Å; E809-C813 PolarHBondContact O-SG 2.8Å
810	L	93.4	Very high	90.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-45	170.5	171.6	60.3	0	0	0	111.5	L740 L794 L797 P799 L802 Q806 L807 L808 C813 A814 V826	L740-L810 HydrophobicContact CD1-CB 4.14Å; L740-L810 HydrophobicContact CD1-CD1 3.88Å; L740-L810 HydrophobicContact CD2-CB 4.2Å; L794-L810 HydrophobicContact CD2-CD1 3.79Å; L797-L810 HydrophobicContact CB-CD2 4.47Å; L797-L810 HydrophobicContact CD1-CD1 4.05Å; L797-L810 HydrophobicContact CD1-CD2 4.39Å; P799-L810 HydrophobicContact CB-CD2 4.47Å; P799-L810 HydrophobicContact CG-CD2 4.19Å; L802-L810 HydrophobicContact CD1-CB 4.18Å; L802-L810 HydrophobicContact CD1-CD2 3.58Å; Q806-L810 WeakPolarHBondContact O-CB 3.49Å; Q806-L810 PolarHBondContact O-N 3.5Å; L807-L810 WeakPolarHBondContact O-CB 3.2Å; L807-L810 PolarHBondContact O-N 2.93Å; L808-L810 VanDerWaalsContact C-N 3.34Å; L808-L810 PolarHBondContact O-N 2.84Å; L810-C813 PolarHBondContact O-N 3.02Å; L810-A814 WeakPolarHBondContact O-CB 3.28Å; L810-A814 PolarHBondContact O-N 3.05Å; L810-V826 HydrophobicContact CD1-CG1 4.42Å; L810-V826 HydrophobicContact CD1-CG2 3.91Å; L810-V826 HydrophobicContact CD2-CG1 3.95Å; L810-V826 HydrophobicContact CD2-CG2 4.27Å; L810-V826 HydrophobicContact CG-CG1 3.85Å; L810-V826 HydrophobicContact CG-CG2 4.21Å
811	L	94.8	Very high	91.1	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-61.7	-43.3	177.5	-69.6	176.7	0	0	0	111.5	L807 L808 A814 H815 V826 V848 L849 A852	L807-L811 WeakPolarHBondContact O-CG 3.4Å; L807-L811 PolarHBondContact O-N 3.2Å; L808-L811 PolarHBondContact O-N 3.21Å; L811-A814 PolarHBondContact O-N 2.84Å; L811-H815 WeakPolarHBondContact O-CB 3.22Å; L811-H815 PolarHBondContact O-N 3.18Å; L811-V826 HydrophobicContact CD2-CG1 3.84Å; L811-V848 HydrophobicContact CB-CG1 3.99Å; L811-L849 HydrophobicContact CD1-CD1 4Å; L811-A852 HydrophobicContact CD1-CB 4.19Å; L811-A852 HydrophobicContact CD2-CB 3.69Å
812	H	93.7	Very high	91.3	Very high	4 Å²	4	34 Å²	34	2%	0.019	17%	0.165	C	C	.	.	H	α-helix	trans	-61.8	-45.2	172.6	-78.9	-71.2	0	0	0	112.4	R757 L808 A814 H815 E816 P844 D845	R757-H812 HydrophobicContact CG-CB 4.14Å; R757-H812 VanDerWaalsContact CZ-CG 3.45Å; R757-H812 PolarHBondContact NH1-CD2 3.46Å; R757-H812 PolarHBondContact NH1-CE1 3.31Å; R757-H812 VanDerWaalsContact NH1-CE1 3.26Å; R757-H812 PolarHBondContact NH1-ND1 3.23Å; R757-H812 PolarHBondContact NH1-NE2 2.82Å; R757-H812 PolarHBondContact NH2-CD2 3.36Å; R757-H812 VanDerWaalsContact NH2-CD2 3.33Å; L808-H812 PolarHBondContact O-CD2 3.43Å; L808-H812 PolarHBondContact O-N 2.85Å; H812-A814 VanDerWaalsContact C-N 3.33Å; H812-A814 PolarHBondContact O-N 2.61Å; H812-H815 PolarHBondContact O-N 2.78Å; H812-E816 WeakPolarHBondContact O-CB 3.38Å; H812-E816 WeakPolarHBondContact O-CG 3.45Å; H812-E816 PolarHBondContact O-N 3.21Å; H812-P844 PolarHBondContact CE1-O 3.08Å; H812-D845 IonicContact CD2-OD1 2.71Å; H812-D845 IonicContact CE1-OD1 2.95Å; H812-D845 IonicContact NE2-OD1 3.22Å; H812-D845 PolarHBondContact NE2-OD1 3.37Å
813	C	93.9	Very high	91.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.7	-38.8	176.5	-69.2	0	0	0	0	112.5	P756 A760 E809 L810 A817	P756-C813 VanDerWaalsContact CB-SG 3.51Å; A760-C813 HydrophobicContact CB-CB 4.05Å; A760-C813 WeakPolarHBondContact CB-O 3.14Å; E809-C813 WeakPolarHBondContact O-CB 3.37Å; E809-C813 PolarHBondContact O-N 3.41Å; E809-C813 PolarHBondContact O-SG 2.8Å; L810-C813 PolarHBondContact O-N 3.02Å; C813-A817 WeakPolarHBondContact O-CB 3.42Å; C813-A817 PolarHBondContact O-N 2.78Å; C813-A817 VanDerWaalsContact O-N 3.11Å
814	A	94.3	Very high	92	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-70.4	-34.4	177	0	0	0	0	0	112.1	L810 L811 H812 I822 W823 V826	L810-A814 WeakPolarHBondContact O-CB 3.28Å; L810-A814 PolarHBondContact O-N 3.05Å; L811-A814 PolarHBondContact O-N 2.84Å; H812-A814 VanDerWaalsContact C-N 3.33Å; H812-A814 PolarHBondContact O-N 2.61Å; A814-I822 HydrophobicContact CB-CG2 4.02Å; A814-W823 HydrophobicContact CB-CE3 3.88Å; A814-W823 HydrophobicContact CB-CZ3 4.34Å; A814-V826 HydrophobicContact CB-CB 4.41Å; A814-V826 HydrophobicContact CB-CG1 4.38Å; A814-V826 HydrophobicContact CB-CG2 4.28Å
815	H	93.9	Very high	92.2	Very high	31 Å²	31	32.4 Å²	32.4	14%	0.144	16%	0.161	C	C	.	.	H	α-helix	trans	-69	-50.2	175	-163.8	52.9	0	0	0	111.5	L811 H812 A817 E818 W823 V848	L811-H815 WeakPolarHBondContact O-CB 3.22Å; L811-H815 PolarHBondContact O-N 3.18Å; H812-H815 PolarHBondContact O-N 2.78Å; H815-A817 PolarHBondContact O-N 2.89Å; H815-E818 PolarHBondContact O-N 2.89Å; H815-W823 HydrophobicContact CB-CE3 4.45Å; H815-W823 HydrophobicContact CB-CZ3 3.83Å; H815-V848 HydrophobicContact CB-CG1 4.05Å
816	E	94.5	Very high	92.6	Very high	3 Å²	3	26.1 Å²	26.1	1%	0.014	14%	0.137	C	C	.	.	H	α-helix	trans	-61.6	-28.2	177.8	-72.7	-69.1	130.4	0	0	112.8	T637 L638 T639 R757 G761 Q765 H812 E818	T637-E816 WeakPolarHBondContact CB-OE1 3.49Å; L638-E816 WeakPolarHBondContact CB-OE1 3.31Å; L638-E816 PolarHBondContact N-OE1 2.85Å; L638-E816 PolarHBondContact N-OE2 3.48Å; T639-E816 WeakPolarHBondContact CB-OE2 3.24Å; T639-E816 PolarHBondContact N-OE2 2.82Å; T639-E816 PolarHBondContact OG1-OE2 3.06Å; R757-E816 HydrophobicContact CB-CG 4.12Å; R757-E816 WeakPolarHBondContact O-CB 3.38Å; G761-E816 VanDerWaalsContact CA-O 3.24Å; G761-E816 WeakPolarHBondContact CA-O 3.28Å; Q765-E816 WeakPolarHBondContact CG-O 3.49Å; Q765-E816 PolarHBondContact NE2-O 3.22Å; H812-E816 WeakPolarHBondContact O-CB 3.38Å; H812-E816 WeakPolarHBondContact O-CG 3.45Å; H812-E816 PolarHBondContact O-N 3.21Å; E816-E818 VanDerWaalsContact C-N 3.3Å; E816-E818 PolarHBondContact O-N 3.21Å
817	A	92.3	Very high	92.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-27	179.5	0	0	0	0	0	114.3	F764 C813 H815 E819	F764-A817 CarbonylContact C-O 3.22Å; F764-A817 HydrophobicContact CB-CB 3.65Å; F764-A817 WeakPolarHBondContact CB-O 3.27Å; F764-A817 HydrophobicContact CD2-CB 3.7Å; F764-A817 HydrophobicContact CG-CB 3.88Å; C813-A817 WeakPolarHBondContact O-CB 3.42Å; C813-A817 PolarHBondContact O-N 2.78Å; C813-A817 VanDerWaalsContact O-N 3.11Å; H815-A817 PolarHBondContact O-N 2.89Å; A817-E819 HydrophobicContact CB-CB 4.42Å; A817-E819 PolarHBondContact O-N 3.2Å
818	E	91.5	Very high	92.9	Very high	82 Å²	82	30.5 Å²	30.5	38%	0.383	16%	0.157	S	C	.	.			trans	50.6	15	-169.2	-57.7	-165.2	143	0	0	115.3	S636 T637 Q765 H815 E816 A820	S636-E818 VanDerWaalsContact CB-OE1 3.3Å; S636-E818 WeakPolarHBondContact CB-OE1 3.41Å; S636-E818 PolarHBondContact OG-OE1 3.22Å; T637-E818 HydrophobicContact CG2-CG 3.86Å; Q765-E818 HydrophobicContact CG-CB 4.29Å; Q765-E818 HydrophobicContact CG-CG 4.16Å; H815-E818 PolarHBondContact O-N 2.89Å; E816-E818 VanDerWaalsContact C-N 3.3Å; E816-E818 PolarHBondContact O-N 3.21Å; E818-A820 PolarHBondContact O-N 3.08Å
819	E	90.9	Very high	92.9	Very high	61 Å²	61	33.9 Å²	33.9	29%	0.285	17%	0.173	S	C	.	.			trans	-88.8	103.8	179.4	-157.3	-70.6	82.5	0	0	109.9	F764 K795 A817 G821 I822 W823	F764-E819 HydrophobicContact CB-CB 4.48Å; F764-E819 HydrophobicContact CD1-CB 4.49Å; F764-E819 HydrophobicContact CD1-CG 4.45Å; K795-E819 WeakPolarHBondContact CE-OE2 3.38Å; K795-E819 IonicContact NZ-OE2 2.82Å; K795-E819 PolarHBondContact NZ-OE2 3Å; A817-E819 HydrophobicContact CB-CB 4.42Å; A817-E819 PolarHBondContact O-N 3.2Å; E819-G821 PolarHBondContact O-N 3.46Å; E819-G821 VanDerWaalsContact O-N 3.13Å; E819-G821 WeakPolarHBondContact OE1-CA 3.45Å; E819-G821 PolarHBondContact OE1-N 3.45Å; E819-I822 HydrophobicContact CB-CB 4.25Å; E819-I822 HydrophobicContact CB-CD1 4.04Å; E819-I822 HydrophobicContact CB-CG1 4.34Å; E819-I822 HydrophobicContact CG-CD1 4.19Å; E819-I822 HydrophobicContact CG-CG1 4.42Å; E819-I822 PolarHBondContact O-N 2.82Å; E819-I822 WeakPolarHBondContact OE2-CG1 3.24Å; E819-I822 PolarHBondContact OE2-N 3.41Å; E819-W823 PolarHBondContact O-N 3.45Å
820	A	89.8	Confident	93	Very high	60 Å²	60	32.5 Å²	32.5	50%	0.496	17%	0.167	S	C	.	.	H	α-helix	trans	-52.1	-38.2	-174	0	0	0	0	0	113.9	E818 W823 Q824	E818-A820 PolarHBondContact O-N 3.08Å; A820-W823 PolarHBondContact O-N 2.9Å; A820-Q824 VanDerWaalsContact O-CB 3.28Å; A820-Q824 WeakPolarHBondContact O-CB 3.4Å; A820-Q824 WeakPolarHBondContact O-CG 3.11Å; A820-Q824 PolarHBondContact O-N 3.48Å
821	G	91	Very high	92.9	Very high	22 Å²	22	34.7 Å²	34.7	23%	0.227	18%	0.181	C	C	.	.	H	α-helix	trans	-79.5	-12.6	178.8	0	0	0	0	0	115.1	K795 E819	K795-G821 WeakPolarHBondContact CE-O 3.4Å; K795-G821 PolarHBondContact NZ-O 3.05Å; E819-G821 PolarHBondContact O-N 3.46Å; E819-G821 VanDerWaalsContact O-N 3.13Å; E819-G821 WeakPolarHBondContact OE1-CA 3.45Å; E819-G821 PolarHBondContact OE1-N 3.45Å
822	I	92.8	Very high	92.7	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-82.7	-48.5	163.6	-74.8	166.7	0	0	0	108.5	F764 L794 K795 A814 E819 H825 V826	F764-I822 HydrophobicContact CD1-CD1 3.92Å; F764-I822 HydrophobicContact CD2-CD1 4.35Å; F764-I822 HydrophobicContact CE1-CD1 3.53Å; F764-I822 HydrophobicContact CE2-CD1 4Å; F764-I822 HydrophobicContact CG-CD1 4.32Å; F764-I822 HydrophobicContact CZ-CD1 3.57Å; L794-I822 HydrophobicContact CB-CG2 4.43Å; L794-I822 HydrophobicContact CD1-CD1 3.93Å; L794-I822 HydrophobicContact CD1-CG2 4.23Å; K795-I822 HydrophobicContact CG-CG1 4.4Å; A814-I822 HydrophobicContact CB-CG2 4.02Å; E819-I822 HydrophobicContact CB-CB 4.25Å; E819-I822 HydrophobicContact CB-CD1 4.04Å; E819-I822 HydrophobicContact CB-CG1 4.34Å; E819-I822 HydrophobicContact CG-CD1 4.19Å; E819-I822 HydrophobicContact CG-CG1 4.42Å; E819-I822 PolarHBondContact O-N 2.82Å; E819-I822 WeakPolarHBondContact OE2-CG1 3.24Å; E819-I822 PolarHBondContact OE2-N 3.41Å; I822-H825 PolarHBondContact O-N 3.37Å; I822-V826 HydrophobicContact CG2-CG2 4.27Å; I822-V826 WeakPolarHBondContact O-CG2 3.37Å; I822-V826 PolarHBondContact O-N 3.44Å
823	W	94.6	Very high	92.7	Very high	43 Å²	43	46 Å²	46	16%	0.163	23%	0.233	C	C	.	.	H	α-helix	trans	-56.4	-54.4	-179.8	-177.5	-101.6	0	0	0	111.6	A814 H815 E819 A820 H825 V826 V827 K851 A852 A855	A814-W823 HydrophobicContact CB-CE3 3.88Å; A814-W823 HydrophobicContact CB-CZ3 4.34Å; H815-W823 HydrophobicContact CB-CE3 4.45Å; H815-W823 HydrophobicContact CB-CZ3 3.83Å; E819-W823 PolarHBondContact O-N 3.45Å; A820-W823 PolarHBondContact O-N 2.9Å; W823-H825 VanDerWaalsContact C-N 3.34Å; W823-H825 PolarHBondContact O-N 3.36Å; W823-V826 PolarHBondContact O-N 3.15Å; W823-V827 HydrophobicContact CD2-CG2 4.02Å; W823-V827 HydrophobicContact CG-CG2 4.38Å; W823-V827 HydrophobicContact CH2-CG2 4.49Å; W823-V827 HydrophobicContact CZ2-CG2 4Å; W823-V827 WeakPolarHBondContact O-CB 3.5Å; W823-V827 VanDerWaalsContact O-CG2 3.24Å; W823-V827 WeakPolarHBondContact O-CG2 3.46Å; W823-V827 PolarHBondContact O-N 3.09Å; W823-K851 HydrophobicContact CH2-CB 4.45Å; W823-K851 HydrophobicContact CZ2-CB 4.22Å; W823-A852 HydrophobicContact CH2-CB 4Å; W823-A852 HydrophobicContact CZ2-CB 4.2Å; W823-A855 HydrophobicContact CZ2-CB 4.5Å
824	Q	94.1	Very high	92.7	Very high	112 Å²	112	46.4 Å²	46.4	52%	0.523	24%	0.235	S	C	.	.	H	α-helix	trans	-56.1	-44.4	179	-74.8	171.5	-13.6	0	0	112.6	A820 V827 Q828	A820-Q824 VanDerWaalsContact O-CB 3.28Å; A820-Q824 WeakPolarHBondContact O-CB 3.4Å; A820-Q824 WeakPolarHBondContact O-CG 3.11Å; A820-Q824 PolarHBondContact O-N 3.48Å; Q824-V827 PolarHBondContact O-N 3.49Å; Q824-Q828 VanDerWaalsContact O-CB 3.28Å; Q824-Q828 WeakPolarHBondContact O-CB 3.33Å; Q824-Q828 WeakPolarHBondContact O-CG 3.28Å; Q824-Q828 PolarHBondContact O-N 3Å
825	H	92.7	Very high	92.6	Very high	39 Å²	39	49.3 Å²	49.3	18%	0.181	26%	0.255	C	S	.	.	H	α-helix	trans	-65.7	-47.4	179	171.8	61.5	0	0	0	112.4	I822 W823 V827 E829	I822-H825 PolarHBondContact O-N 3.37Å; W823-H825 VanDerWaalsContact C-N 3.34Å; W823-H825 PolarHBondContact O-N 3.36Å; H825-V827 PolarHBondContact O-N 3.37Å; H825-E829 IonicContact CE1-OE1 3.17Å; H825-E829 IonicContact ND1-OE1 3.19Å; H825-E829 WeakPolarHBondContact O-CB 3.26Å; H825-E829 WeakPolarHBondContact O-CG 3.34Å; H825-E829 PolarHBondContact O-N 3.42Å
826	V	93.6	Very high	92.4	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-61.3	-34.4	178.1	170	0	0	0	0	111.6	P799 L810 L811 A814 I822 W823 L830	P799-V826 HydrophobicContact CG-CG1 4.49Å; P799-V826 WeakPolarHBondContact CG-O 3.37Å; L810-V826 HydrophobicContact CD1-CG1 4.42Å; L810-V826 HydrophobicContact CD1-CG2 3.91Å; L810-V826 HydrophobicContact CD2-CG1 3.95Å; L810-V826 HydrophobicContact CD2-CG2 4.27Å; L810-V826 HydrophobicContact CG-CG1 3.85Å; L810-V826 HydrophobicContact CG-CG2 4.21Å; L811-V826 HydrophobicContact CD2-CG1 3.84Å; A814-V826 HydrophobicContact CB-CB 4.41Å; A814-V826 HydrophobicContact CB-CG1 4.38Å; A814-V826 HydrophobicContact CB-CG2 4.28Å; I822-V826 HydrophobicContact CG2-CG2 4.27Å; I822-V826 WeakPolarHBondContact O-CG2 3.37Å; I822-V826 PolarHBondContact O-N 3.44Å; W823-V826 PolarHBondContact O-N 3.15Å; V826-L830 WeakPolarHBondContact O-CG 3.49Å
827	V	93.9	Very high	92	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.006	27%	0.271	C	S	.	.	H	α-helix	trans	-82.3	-37.6	-176	162.5	0	0	0	0	112.9	W823 Q824 H825 L830 A852 A855 A856	W823-V827 HydrophobicContact CD2-CG2 4.02Å; W823-V827 HydrophobicContact CG-CG2 4.38Å; W823-V827 HydrophobicContact CH2-CG2 4.49Å; W823-V827 HydrophobicContact CZ2-CG2 4Å; W823-V827 WeakPolarHBondContact O-CB 3.5Å; W823-V827 VanDerWaalsContact O-CG2 3.24Å; W823-V827 WeakPolarHBondContact O-CG2 3.46Å; W823-V827 PolarHBondContact O-N 3.09Å; Q824-V827 PolarHBondContact O-N 3.49Å; H825-V827 PolarHBondContact O-N 3.37Å; V827-L830 WeakPolarHBondContact O-CB 3.35Å; V827-L830 WeakPolarHBondContact O-CG 3.35Å; V827-L830 PolarHBondContact O-N 2.8Å; V827-A852 WeakPolarHBondContact CG1-O 3.35Å; V827-A852 HydrophobicContact CG2-CB 4.14Å; V827-A855 HydrophobicContact CG1-CB 3.88Å; V827-A855 WeakPolarHBondContact CG1-O 3.46Å; V827-A856 HydrophobicContact CG1-CB 3.67Å; V827-A856 VanDerWaalsContact CG1-N 3.29Å
828	Q	92	Very high	91.4	Very high	134 Å²	134	53.7 Å²	53.7	63%	0.626	29%	0.287	S	S	*	.	H	α-helix	trans	-69.1	-32.9	175	-75.5	171.1	-14.7	0	0	112.5	Q824 L830	Q824-Q828 VanDerWaalsContact O-CB 3.28Å; Q824-Q828 WeakPolarHBondContact O-CB 3.33Å; Q824-Q828 WeakPolarHBondContact O-CG 3.28Å; Q824-Q828 PolarHBondContact O-N 3Å; Q828-L830 VanDerWaalsContact C-N 3.25Å; Q828-L830 PolarHBondContact O-N 3.01Å
829	E	90.9	Very high	91.1	Very high	80 Å²	80	51 Å²	51	37%	0.374	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	16.4	-179.6	-53.7	-92.4	155	0	0	112.8	Q798 P799 H825	Q798-E829 PolarHBondContact NE2-OE2 2.85Å; P799-E829 HydrophobicContact CG-CB 3.88Å; H825-E829 IonicContact CE1-OE1 3.17Å; H825-E829 IonicContact ND1-OE1 3.19Å; H825-E829 WeakPolarHBondContact O-CB 3.26Å; H825-E829 WeakPolarHBondContact O-CG 3.34Å; H825-E829 PolarHBondContact O-N 3.42Å
830	L	93.9	Very high	90.7	Very high	6 Å²	6	50.4 Å²	50.4	3%	0.031	27%	0.271	C	S	.	.			trans	-74.7	135	170.8	-68.8	175.9	0	0	0	110.5	P799 L807 V826 V827 Q828 A852 Q858 F860	P799-L830 HydrophobicContact CB-CD2 4.09Å; L807-L830 HydrophobicContact CD1-CD2 3.98Å; V826-L830 WeakPolarHBondContact O-CG 3.49Å; V827-L830 WeakPolarHBondContact O-CB 3.35Å; V827-L830 WeakPolarHBondContact O-CG 3.35Å; V827-L830 PolarHBondContact O-N 2.8Å; Q828-L830 VanDerWaalsContact C-N 3.25Å; Q828-L830 PolarHBondContact O-N 3.01Å; L830-A852 HydrophobicContact CD1-CB 4.26Å; L830-Q858 PolarHBondContact O-NE2 3.13Å; L830-F860 HydrophobicContact CB-CE1 3.89Å; L830-F860 HydrophobicContact CB-CZ 4.12Å; L830-F860 HydrophobicContact CD1-CE1 4.49Å; L830-F860 HydrophobicContact CD1-CZ 4.2Å
831	P	92.3	Very high	90.5	Very high	45 Å²	45	47.8 Å²	47.8	29%	0.292	25%	0.249	S	C	.	.			trans	-74.3	140.8	173.5	31.2	-35.5	0	0	0	111.4	R833 L834	P831-R833 PolarHBondContact O-N 2.85Å; P831-L834 HydrophobicContact CG-CD2 3.81Å; P831-L834 HydrophobicContact CG-CG 4.46Å
832	G	91.1	Very high	90.3	Very high	31 Å²	31	47.5 Å²	47.5	32%	0.32	24%	0.242	S	C	.	.	S	Bend	trans	-63.5	-4.8	174.6	0	0	0	0	0	115.5	F860 S861	G832-F860 CarbonylContact O-C 3.46Å; G832-F860 WeakPolarHBondContact O-CA 3.44Å; G832-S861 PolarHBondContact O-N 2.81Å
833	R	92.4	Very high	90.2	Very high	213 Å²	213	48.6 Å²	48.6	80%	0.804	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	117.2	165.5	-64.4	-169.2	-178.4	-164.9	2.8	109.2	P831 S861	P831-R833 PolarHBondContact O-N 2.85Å; R833-S861 WeakPolarHBondContact CA-O 3.27Å
834	L	94.1	Very high	90	Very high	9 Å²	9	46.9 Å²	46.9	5%	0.047	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	125.6	179.2	-71.3	164.9	0	0	0	109.6	L807 P831 F836 L853 F860 S861 L862 D863	L807-L834 HydrophobicContact CD2-CD2 3.63Å; P831-L834 HydrophobicContact CG-CD2 3.81Å; P831-L834 HydrophobicContact CG-CG 4.46Å; L834-F836 HydrophobicContact CB-CE2 3.84Å; L834-F836 HydrophobicContact CB-CZ 4.45Å; L834-L853 HydrophobicContact CD1-CD2 3.61Å; L834-F860 HydrophobicContact CD1-CD1 3.81Å; L834-F860 HydrophobicContact CD1-CE1 4.03Å; L834-F860 HydrophobicContact CG-CD1 4.44Å; L834-S861 PolarHBondContact N-O 2.95Å; L834-L862 HydrophobicContact CB-CD2 3.97Å; L834-L862 HydrophobicContact CD1-CD2 4.01Å; L834-L862 CarbonylContact O-C 3.56Å; L834-L862 WeakPolarHBondContact O-CA 3.48Å; L834-D863 PolarHBondContact O-N 3.44Å
835	S	91.6	Very high	89.9	Confident	61 Å²	61	41.9 Å²	41.9	43%	0.427	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.6	172	-175.4	0	0	0	0	110.9	L837 D863	S835-L837 WeakPolarHBondContact OG-CB 3.36Å; S835-L837 PolarHBondContact OG-N 3.23Å; S835-D863 PolarHBondContact OG-OD2 2.73Å; S835-D863 VanDerWaalsContact OG-OD2 3.11Å
836	F	90.9	Very high	90	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.213	C	C	.	.			trans	-114	21.5	172.3	-58.9	-86.1	0	0	0	110.5	A804 L807 L808 L834 G838 T839 L841 L849 D863 L864 T867	A804-F836 HydrophobicContact CB-CB 4.48Å; A804-F836 HydrophobicContact CB-CD1 3.83Å; A804-F836 HydrophobicContact CB-CG 4.48Å; L807-F836 HydrophobicContact CD2-CE1 4.46Å; L807-F836 HydrophobicContact CD2-CZ 4.35Å; L808-F836 HydrophobicContact CD1-CD1 4.16Å; L808-F836 HydrophobicContact CD1-CE1 4.37Å; L808-F836 HydrophobicContact CD2-CD1 4.15Å; L808-F836 HydrophobicContact CD2-CE1 3.63Å; L808-F836 HydrophobicContact CD2-CZ 4.36Å; L808-F836 HydrophobicContact CG-CD1 4.09Å; L808-F836 HydrophobicContact CG-CE1 3.8Å; L834-F836 HydrophobicContact CB-CE2 3.84Å; L834-F836 HydrophobicContact CB-CZ 4.45Å; F836-G838 PolarHBondContact O-N 3.18Å; F836-T839 WeakPolarHBondContact O-CA 3.28Å; F836-T839 VanDerWaalsContact O-CB 3.26Å; F836-T839 WeakPolarHBondContact O-CB 3.38Å; F836-T839 PolarHBondContact O-N 3.46Å; F836-L841 HydrophobicContact CD1-CD2 4.49Å; F836-L849 HydrophobicContact CD2-CD2 4.33Å; F836-L849 HydrophobicContact CE2-CD1 4.15Å; F836-L849 HydrophobicContact CE2-CD2 3.68Å; F836-L849 HydrophobicContact CZ-CD1 3.8Å; F836-L849 HydrophobicContact CZ-CD2 3.86Å; F836-L849 HydrophobicContact CZ-CG 4.5Å; F836-D863 PolarHBondContact N-O 2.9Å; F836-L864 HydrophobicContact CB-CD2 4.43Å; F836-L864 HydrophobicContact CD2-CD2 3.86Å; F836-T867 HydrophobicContact CB-CG2 3.76Å; F836-T867 WeakPolarHBondContact O-CG2 3.04Å
837	L	86.2	Confident	89.9	Confident	94 Å²	94	42.1 Å²	42.1	49%	0.492	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.5	122.9	-179.5	179	65.3	0	0	0	111.9	S835 T839 R865	S835-L837 WeakPolarHBondContact OG-CB 3.36Å; S835-L837 PolarHBondContact OG-N 3.23Å; L837-T839 PolarHBondContact O-N 2.99Å; L837-T839 VanDerWaalsContact O-N 3.12Å; L837-R865 WeakPolarHBondContact CA-O 3.49Å; L837-R865 HydrophobicContact CD1-CB 3.76Å
838	G	79.9	Confident	90	Very high	32 Å²	32	42.1 Å²	42.1	33%	0.33	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	69	-1.5	-178.8	0	0	0	0	0	116.1	F836 R865 S866	F836-G838 PolarHBondContact O-N 3.18Å; G838-R865 PolarHBondContact N-O 3.29Å; G838-R865 VanDerWaalsContact N-O 3.14Å; G838-S866 CarbonylContact C-O 3.59Å; G838-S866 WeakPolarHBondContact CA-O 3.25Å
839	T	83.9	Confident	90.1	Very high	26 Å²	26	35.9 Å²	35.9	16%	0.16	19%	0.193	C	C	.	.			trans	-91	107.6	-178.8	-58.4	0	0	0	0	110.1	A804 R805 L808 F836 L837 L841 T867	A804-T839 HydrophobicContact CB-CG2 4.13Å; A804-T839 WeakPolarHBondContact CB-OG1 3.33Å; R805-T839 HydrophobicContact CB-CG2 4.12Å; L808-T839 HydrophobicContact CD1-CG2 3.95Å; F836-T839 WeakPolarHBondContact O-CA 3.28Å; F836-T839 VanDerWaalsContact O-CB 3.26Å; F836-T839 WeakPolarHBondContact O-CB 3.38Å; F836-T839 PolarHBondContact O-N 3.46Å; L837-T839 PolarHBondContact O-N 2.99Å; L837-T839 VanDerWaalsContact O-N 3.12Å; T839-L841 PolarHBondContact O-N 3.06Å; T839-T867 WeakPolarHBondContact O-CA 3.36Å; T839-T867 WeakPolarHBondContact O-CB 3.36Å; T839-T867 WeakPolarHBondContact O-CG2 3.24Å
840	R	82.3	Confident	90.3	Very high	48 Å²	48	32.4 Å²	32.4	18%	0.181	18%	0.179	C	C	.	.			trans	-58	111.8	-177.6	-170.6	174.8	-174.6	-122.7	-13.7	112.8	T385 E566 T867	T385-R840 HydrophobicContact CG2-CB 4.14Å; T385-R840 HydrophobicContact CG2-CG 4.06Å; E566-R840 VanDerWaalsContact CD-CZ 3.45Å; E566-R840 IonicContact OE1-CZ 3.04Å; E566-R840 IonicContact OE1-NE 3.78Å; E566-R840 IonicContact OE1-NH1 2.74Å; E566-R840 PolarHBondContact OE1-NH1 3.15Å; E566-R840 IonicContact OE2-CZ 3.68Å; E566-R840 IonicContact OE2-NE 2.69Å; E566-R840 PolarHBondContact OE2-NE 3.34Å; E566-R840 VanDerWaalsContact OE2-NE 3.12Å; E566-R840 IonicContact OE2-NH1 3.19Å; E566-R840 PolarHBondContact OE2-NH1 3.45Å; E566-R840 VanDerWaalsContact OE2-NH1 3.12Å; E566-R840 IonicContact OE2-NH2 2.76Å; E566-R840 PolarHBondContact OE2-NH2 3.31Å; R840-T867 WeakPolarHBondContact CA-O 3.38Å
841	L	87.5	Confident	90.3	Very high	6 Å²	6	35.4 Å²	35.4	3%	0.031	19%	0.192	C	C	.	.			trans	-89.3	123.5	176.6	-70	175.1	0	0	0	110.8	L808 F836 T839 D845 L864 T867 I869	L808-L841 HydrophobicContact CD1-CD2 3.57Å; L808-L841 HydrophobicContact CD2-CD2 3.93Å; L808-L841 HydrophobicContact CG-CD2 4.4Å; F836-L841 HydrophobicContact CD1-CD2 4.49Å; T839-L841 PolarHBondContact O-N 3.06Å; L841-D845 HydrophobicContact CD2-CB 3.93Å; L841-L864 HydrophobicContact CD1-CD2 3.94Å; L841-T867 HydrophobicContact CD1-CG2 3.69Å; L841-T867 HydrophobicContact CG-CG2 3.94Å; L841-T867 PolarHBondContact N-O 3.02Å; L841-I869 HydrophobicContact CB-CB 4.39Å; L841-I869 HydrophobicContact CD1-CD1 4.23Å
842	T	86.6	Confident	90.5	Very high	15 Å²	15	33.2 Å²	33.2	9%	0.092	18%	0.178	C	C	.	.			trans	-96	162.8	170.1	62.8	0	0	0	0	111.1	K422 P844 D845 A846	K422-T842 VanDerWaalsContact NZ-CG2 3.32Å; T842-P844 VanDerWaalsContact C-CD 3.48Å; T842-P844 VanDerWaalsContact C-N 3.33Å; T842-D845 WeakPolarHBondContact CB-OD2 3.49Å; T842-D845 PolarHBondContact N-OD2 3.42Å; T842-D845 WeakPolarHBondContact O-CA 3.47Å; T842-D845 WeakPolarHBondContact O-CB 3.49Å; T842-D845 PolarHBondContact O-N 2.86Å; T842-D845 PolarHBondContact OG1-OD2 3.49Å; T842-A846 PolarHBondContact O-N 3.28Å; T842-A846 VanDerWaalsContact O-N 3.11Å
843	P	89.7	Confident	90.7	Very high	24 Å²	24	31.8 Å²	31.8	16%	0.156	16%	0.163	C	C	.	.	H	α-helix	trans	-53.4	-37.9	-176.7	-26.3	35	0	0	0	115.2	H610 D845 A846 H847	H610-P843 HydrophobicContact CB-CG 4.25Å; P843-D845 VanDerWaalsContact C-N 3.34Å; P843-D845 PolarHBondContact O-N 2.77Å; P843-A846 PolarHBondContact O-N 2.85Å; P843-H847 PolarHBondContact O-N 3Å
844	P	90.5	Very high	90.7	Very high	6 Å²	6	27.3 Å²	27.3	4%	0.039	15%	0.151	C	C	.	.	H	α-helix	trans	-64.9	-33.8	171.8	-22.6	34	0	0	0	114.1	S607 H812 T842 H847 V848	S607-P844 WeakPolarHBondContact O-CD 3.46Å; S607-P844 WeakPolarHBondContact O-CG 3.46Å; S607-P844 WeakPolarHBondContact OG-CA 3.43Å; H812-P844 PolarHBondContact CE1-O 3.08Å; T842-P844 VanDerWaalsContact C-CD 3.48Å; T842-P844 VanDerWaalsContact C-N 3.33Å; P844-H847 PolarHBondContact O-N 2.84Å; P844-V848 WeakPolarHBondContact O-CB 3.42Å; P844-V848 WeakPolarHBondContact O-CG2 3.45Å; P844-V848 PolarHBondContact O-N 3.37Å
845	D	92.3	Very high	90.7	Very high	7 Å²	7	29.6 Å²	29.6	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-67.1	-42.7	177.8	-52.9	-46.8	0	0	0	110.3	L808 H812 L841 T842 P843 L849	L808-D845 HydrophobicContact CD2-CB 4.32Å; H812-D845 IonicContact CD2-OD1 2.71Å; H812-D845 IonicContact CE1-OD1 2.95Å; H812-D845 IonicContact NE2-OD1 3.22Å; H812-D845 PolarHBondContact NE2-OD1 3.37Å; L841-D845 HydrophobicContact CD2-CB 3.93Å; T842-D845 WeakPolarHBondContact CB-OD2 3.49Å; T842-D845 PolarHBondContact N-OD2 3.42Å; T842-D845 WeakPolarHBondContact O-CA 3.47Å; T842-D845 WeakPolarHBondContact O-CB 3.49Å; T842-D845 PolarHBondContact O-N 2.86Å; T842-D845 PolarHBondContact OG1-OD2 3.49Å; P843-D845 VanDerWaalsContact C-N 3.34Å; P843-D845 PolarHBondContact O-N 2.77Å; D845-L849 WeakPolarHBondContact O-CB 3.41Å; D845-L849 PolarHBondContact O-N 3.08Å
846	A	93.4	Very high	90.8	Very high	3 Å²	3	27.6 Å²	27.6	3%	0.025	16%	0.158	C	C	.	.	H	α-helix	trans	-64	-42.7	174.2	0	0	0	0	0	112.3	T842 P843 G850 I869 L877	T842-A846 PolarHBondContact O-N 3.28Å; T842-A846 VanDerWaalsContact O-N 3.11Å; P843-A846 PolarHBondContact O-N 2.85Å; A846-G850 PolarHBondContact O-N 3.03Å; A846-I869 HydrophobicContact CB-CD1 3.82Å; A846-I869 HydrophobicContact CB-CG1 4.49Å; A846-L877 HydrophobicContact CB-CD1 4.37Å
847	H	93.4	Very high	90.7	Very high	44 Å²	44	31.2 Å²	31.2	20%	0.204	20%	0.196	C	C	.	.	H	α-helix	trans	-64.9	-45.3	179.4	-178.8	69.4	0	0	0	113	P843 P844 G850 K851	P843-H847 PolarHBondContact O-N 3Å; P844-H847 PolarHBondContact O-N 2.84Å; H847-G850 PolarHBondContact O-N 2.93Å; H847-K851 VanDerWaalsContact NE2-CE 3.29Å; H847-K851 WeakPolarHBondContact NE2-CE 3.29Å; H847-K851 PolarHBondContact NE2-NZ 3.4Å; H847-K851 PolarHBondContact O-N 3.27Å
848	V	94.7	Very high	91	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-71.5	-36.3	179.2	175.2	0	0	0	0	111.1	L604 L811 H815 P844 A852	L604-V848 HydrophobicContact CD1-CG2 3.62Å; L811-V848 HydrophobicContact CB-CG1 3.99Å; H815-V848 HydrophobicContact CB-CG1 4.05Å; P844-V848 WeakPolarHBondContact O-CB 3.42Å; P844-V848 WeakPolarHBondContact O-CG2 3.45Å; P844-V848 PolarHBondContact O-N 3.37Å; V848-A852 PolarHBondContact O-N 2.86Å; V848-A852 VanDerWaalsContact O-N 3.14Å
849	L	95.4	Very high	91.7	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-61	-47.3	171.2	178.2	60.5	0	0	0	111.3	L811 F836 D845 K851 A852 L853 L877	L811-L849 HydrophobicContact CD1-CD1 4Å; F836-L849 HydrophobicContact CD2-CD2 4.33Å; F836-L849 HydrophobicContact CE2-CD1 4.15Å; F836-L849 HydrophobicContact CE2-CD2 3.68Å; F836-L849 HydrophobicContact CZ-CD1 3.8Å; F836-L849 HydrophobicContact CZ-CD2 3.86Å; F836-L849 HydrophobicContact CZ-CG 4.5Å; D845-L849 WeakPolarHBondContact O-CB 3.41Å; D845-L849 PolarHBondContact O-N 3.08Å; L849-K851 PolarHBondContact O-N 3.29Å; L849-A852 WeakPolarHBondContact O-CB 3.46Å; L849-A852 PolarHBondContact O-N 3.44Å; L849-L853 HydrophobicContact CD1-CD1 4.27Å; L849-L853 HydrophobicContact CD1-CD2 4.34Å; L849-L853 HydrophobicContact CD1-CG 4.14Å; L849-L853 HydrophobicContact CG-CD1 4.05Å; L849-L853 HydrophobicContact CG-CG 4.37Å; L849-L853 WeakPolarHBondContact O-CG 3.35Å; L849-L853 PolarHBondContact O-N 2.79Å; L849-L877 HydrophobicContact CB-CD2 4.36Å; L849-L877 HydrophobicContact CD2-CD1 4.15Å; L849-L877 HydrophobicContact CD2-CD2 4.24Å; L849-L877 HydrophobicContact CG-CD2 4.11Å
850	G	94.6	Very high	92.3	Very high	8 Å²	8	32.6 Å²	32.6	8%	0.082	19%	0.193	C	C	.	.	H	α-helix	trans	-55.6	-50.3	179.5	0	0	0	0	0	112.6	A846 H847 A852 L853 E854	A846-G850 PolarHBondContact O-N 3.03Å; H847-G850 PolarHBondContact O-N 2.93Å; G850-A852 VanDerWaalsContact C-N 3.26Å; G850-A852 PolarHBondContact O-N 3.41Å; G850-L853 PolarHBondContact O-N 3.31Å; G850-L853 VanDerWaalsContact O-N 3.13Å; G850-E854 WeakPolarHBondContact O-CG 2.95Å; G850-E854 PolarHBondContact O-N 2.94Å
851	K	94	Very high	92.8	Very high	68 Å²	68	31.5 Å²	31.5	30%	0.296	19%	0.192	S	C	.	.	H	α-helix	trans	-58.5	-34.5	174.4	-78.9	178.4	166.6	165.2	0	113.8	W823 H847 L849 A855	W823-K851 HydrophobicContact CH2-CB 4.45Å; W823-K851 HydrophobicContact CZ2-CB 4.22Å; H847-K851 VanDerWaalsContact NE2-CE 3.29Å; H847-K851 WeakPolarHBondContact NE2-CE 3.29Å; H847-K851 PolarHBondContact NE2-NZ 3.4Å; H847-K851 PolarHBondContact O-N 3.27Å; L849-K851 PolarHBondContact O-N 3.29Å; K851-A855 WeakPolarHBondContact O-CB 3.16Å; K851-A855 PolarHBondContact O-N 3.33Å
852	A	95.2	Very high	93.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-70.5	-39.2	177.2	0	0	0	0	0	111.7	L811 W823 V827 L830 V848 L849 G850 A856	L811-A852 HydrophobicContact CD1-CB 4.19Å; L811-A852 HydrophobicContact CD2-CB 3.69Å; W823-A852 HydrophobicContact CH2-CB 4Å; W823-A852 HydrophobicContact CZ2-CB 4.2Å; V827-A852 WeakPolarHBondContact CG1-O 3.35Å; V827-A852 HydrophobicContact CG2-CB 4.14Å; L830-A852 HydrophobicContact CD1-CB 4.26Å; V848-A852 PolarHBondContact O-N 2.86Å; V848-A852 VanDerWaalsContact O-N 3.14Å; L849-A852 WeakPolarHBondContact O-CB 3.46Å; L849-A852 PolarHBondContact O-N 3.44Å; G850-A852 VanDerWaalsContact C-N 3.26Å; G850-A852 PolarHBondContact O-N 3.41Å; A852-A856 PolarHBondContact O-N 2.77Å
853	L	95.3	Very high	93.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67.4	-42.8	175.6	-60.5	170	0	0	0	111.5	L834 L849 G850 A856 F860 L862 L877 L880 C882 V883	L834-L853 HydrophobicContact CD1-CD2 3.61Å; L849-L853 HydrophobicContact CD1-CD1 4.27Å; L849-L853 HydrophobicContact CD1-CD2 4.34Å; L849-L853 HydrophobicContact CD1-CG 4.14Å; L849-L853 HydrophobicContact CG-CD1 4.05Å; L849-L853 HydrophobicContact CG-CG 4.37Å; L849-L853 WeakPolarHBondContact O-CG 3.35Å; L849-L853 PolarHBondContact O-N 2.79Å; G850-L853 PolarHBondContact O-N 3.31Å; G850-L853 VanDerWaalsContact O-N 3.13Å; L853-A856 PolarHBondContact O-N 3.04Å; L853-F860 HydrophobicContact CB-CD2 4.16Å; L853-F860 HydrophobicContact CB-CE2 4.14Å; L853-F860 HydrophobicContact CD2-CB 4.18Å; L853-F860 HydrophobicContact CD2-CD1 3.78Å; L853-F860 HydrophobicContact CD2-CD2 3.51Å; L853-F860 HydrophobicContact CD2-CE1 3.96Å; L853-F860 HydrophobicContact CD2-CE2 3.68Å; L853-F860 HydrophobicContact CD2-CG 3.55Å; L853-F860 HydrophobicContact CD2-CZ 3.9Å; L853-F860 HydrophobicContact CG-CD2 4.41Å; L853-L862 HydrophobicContact CD1-CD1 3.97Å; L853-L862 HydrophobicContact CD1-CD2 4.17Å; L853-L862 HydrophobicContact CD2-CD2 4.2Å; L853-L877 HydrophobicContact CD1-CD2 4.12Å; L853-L880 HydrophobicContact CB-CD1 4.05Å; L853-L880 HydrophobicContact CD1-CD1 4.14Å; L853-C882 VanDerWaalsContact C-SG 3.55Å; L853-C882 PolarHBondContact O-SG 2.84Å; L853-V883 HydrophobicContact CD1-CG2 4.04Å
854	E	94	Very high	93.5	Very high	120 Å²	120	30.4 Å²	30.4	56%	0.561	19%	0.185	S	C	*	.	H	α-helix	trans	-60	-47	174.4	-70.7	179.1	132.2	0	0	111.8	G850 A856 L880	G850-E854 WeakPolarHBondContact O-CG 2.95Å; G850-E854 PolarHBondContact O-N 2.94Å; E854-A856 PolarHBondContact O-N 3.38Å; E854-L880 HydrophobicContact CG-CD1 4.24Å; E854-L880 HydrophobicContact CG-CD2 3.75Å
855	A	93.7	Very high	93.4	Very high	57 Å²	57	33.7 Å²	33.7	47%	0.471	20%	0.196	S	C	.	.	H	α-helix	trans	-73	-11.3	-175.3	0	0	0	0	0	114.4	W823 V827 K851	W823-A855 HydrophobicContact CZ2-CB 4.5Å; V827-A855 HydrophobicContact CG1-CB 3.88Å; V827-A855 WeakPolarHBondContact CG1-O 3.46Å; K851-A855 WeakPolarHBondContact O-CB 3.16Å; K851-A855 PolarHBondContact O-N 3.33Å
856	A	92.9	Very high	92.9	Very high	18 Å²	18	35.4 Å²	35.4	15%	0.149	21%	0.209	C	C	.	.	H	α-helix	trans	-80.6	-26.9	-179.5	0	0	0	0	0	113.7	V827 A852 L853 E854 Q858 F860	V827-A856 HydrophobicContact CG1-CB 3.67Å; V827-A856 VanDerWaalsContact CG1-N 3.29Å; A852-A856 PolarHBondContact O-N 2.77Å; L853-A856 PolarHBondContact O-N 3.04Å; E854-A856 PolarHBondContact O-N 3.38Å; A856-Q858 HydrophobicContact CB-CG 3.96Å; A856-Q858 PolarHBondContact O-N 3.01Å; A856-F860 HydrophobicContact CB-CE2 3.73Å; A856-F860 HydrophobicContact CB-CZ 3.58Å
857	G	88.3	Confident	92.4	Very high	77 Å²	77	35.3 Å²	35.3	79%	0.794	21%	0.208	S	C	*	.			trans	63.5	22.9	-179.7	0	0	0	0	0	115.1
858	Q	92.8	Very high	91.8	Very high	70 Å²	70	33.3 Å²	33.3	33%	0.327	20%	0.199	S	C	.	.	S	Bend	trans	-129.8	163.3	177.7	63.6	170.8	-30	0	0	111.3	L830 A856 F860 C882	L830-Q858 PolarHBondContact O-NE2 3.13Å; A856-Q858 HydrophobicContact CB-CG 3.96Å; A856-Q858 PolarHBondContact O-N 3.01Å; Q858-F860 HydrophobicContact CG-CE1 4.22Å; Q858-F860 HydrophobicContact CG-CE2 3.81Å; Q858-F860 HydrophobicContact CG-CZ 3.61Å; Q858-F860 VanDerWaalsContact O-CD2 3.26Å; Q858-F860 WeakPolarHBondContact O-CD2 3.37Å; Q858-F860 WeakPolarHBondContact O-CE2 3.46Å; Q858-C882 WeakPolarHBondContact O-CB 3.45Å
859	D	95.2	Very high	91.4	Very high	109 Å²	109	33.4 Å²	33.4	58%	0.583	20%	0.2	S	C	*	.			trans	-81.6	136.4	-178.9	-72.8	-18.6	0	0	0	113	C882 T884	D859-C882 CarbonylContact C-O 3.52Å; D859-C882 WeakPolarHBondContact CA-O 3.41Å; D859-T884 HydrophobicContact CB-CG2 3.65Å; D859-T884 VanDerWaalsContact CG-CG2 3.43Å
860	F	95.8	Very high	90.7	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	144.3	-179.1	-65.9	-80.2	0	0	0	113.7	L830 G832 L834 L853 A856 Q858 L862 C882 T884 R885	L830-F860 HydrophobicContact CB-CE1 3.89Å; L830-F860 HydrophobicContact CB-CZ 4.12Å; L830-F860 HydrophobicContact CD1-CE1 4.49Å; L830-F860 HydrophobicContact CD1-CZ 4.2Å; G832-F860 CarbonylContact O-C 3.46Å; G832-F860 WeakPolarHBondContact O-CA 3.44Å; L834-F860 HydrophobicContact CD1-CD1 3.81Å; L834-F860 HydrophobicContact CD1-CE1 4.03Å; L834-F860 HydrophobicContact CG-CD1 4.44Å; L853-F860 HydrophobicContact CB-CD2 4.16Å; L853-F860 HydrophobicContact CB-CE2 4.14Å; L853-F860 HydrophobicContact CD2-CB 4.18Å; L853-F860 HydrophobicContact CD2-CD1 3.78Å; L853-F860 HydrophobicContact CD2-CD2 3.51Å; L853-F860 HydrophobicContact CD2-CE1 3.96Å; L853-F860 HydrophobicContact CD2-CE2 3.68Å; L853-F860 HydrophobicContact CD2-CG 3.55Å; L853-F860 HydrophobicContact CD2-CZ 3.9Å; L853-F860 HydrophobicContact CG-CD2 4.41Å; A856-F860 HydrophobicContact CB-CE2 3.73Å; A856-F860 HydrophobicContact CB-CZ 3.58Å; Q858-F860 HydrophobicContact CG-CE1 4.22Å; Q858-F860 HydrophobicContact CG-CE2 3.81Å; Q858-F860 HydrophobicContact CG-CZ 3.61Å; Q858-F860 VanDerWaalsContact O-CD2 3.26Å; Q858-F860 WeakPolarHBondContact O-CD2 3.37Å; Q858-F860 WeakPolarHBondContact O-CE2 3.46Å; F860-L862 HydrophobicContact CB-CD2 4.27Å; F860-C882 HydrophobicContact CD2-CB 4.35Å; F860-C882 PolarHBondContact N-O 2.96Å; F860-T884 PolarHBondContact O-N 2.96Å; F860-T884 PolarHBondContact O-OG1 2.9Å; F860-R885 PolarHBondContact O-N 2.78Å
861	S	94.6	Very high	90.1	Very high	25 Å²	25	35.3 Å²	35.3	18%	0.175	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	119.8	163.4	-176.5	0	0	0	0	109.3	G832 R833 L834 R885	G832-S861 PolarHBondContact O-N 2.81Å; R833-S861 WeakPolarHBondContact CA-O 3.27Å; L834-S861 PolarHBondContact N-O 2.95Å; S861-R885 WeakPolarHBondContact CA-O 3.41Å
862	L	95	Very high	89.6	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	139.2	-177.7	-54.5	-176.6	0	0	0	112.2	L834 L853 F860 L864 V883 R885 F886 R887	L834-L862 HydrophobicContact CB-CD2 3.97Å; L834-L862 HydrophobicContact CD1-CD2 4.01Å; L834-L862 CarbonylContact O-C 3.56Å; L834-L862 WeakPolarHBondContact O-CA 3.48Å; L853-L862 HydrophobicContact CD1-CD1 3.97Å; L853-L862 HydrophobicContact CD1-CD2 4.17Å; L853-L862 HydrophobicContact CD2-CD2 4.2Å; F860-L862 HydrophobicContact CB-CD2 4.27Å; L862-L864 HydrophobicContact CB-CD1 4.43Å; L862-L864 HydrophobicContact CB-CD2 4.35Å; L862-L864 HydrophobicContact CB-CG 4.15Å; L862-L864 HydrophobicContact CD1-CD1 4.4Å; L862-V883 HydrophobicContact CD1-CG1 4.14Å; L862-V883 HydrophobicContact CD1-CG2 3.82Å; L862-V883 HydrophobicContact CG-CG1 4.27Å; L862-V883 HydrophobicContact CG-CG2 4.27Å; L862-R885 PolarHBondContact N-O 2.74Å; L862-F886 HydrophobicContact CB-CB 4.25Å; L862-F886 CarbonylContact O-C 3.58Å; L862-F886 VanDerWaalsContact O-CA 3.24Å; L862-F886 WeakPolarHBondContact O-CA 3.35Å; L862-R887 PolarHBondContact O-N 3.15Å
863	D	91.9	Very high	89.2	Confident	19 Å²	19	35.7 Å²	35.7	10%	0.102	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	107.7	166.5	178.8	21.3	0	0	0	110.1	L834 S835 F836 R865	L834-D863 PolarHBondContact O-N 3.44Å; S835-D863 PolarHBondContact OG-OD2 2.73Å; S835-D863 VanDerWaalsContact OG-OD2 3.11Å; F836-D863 PolarHBondContact N-O 2.9Å; D863-R865 WeakPolarHBondContact OD1-CG 3.42Å; D863-R865 IonicContact OD1-CZ 3.85Å; D863-R865 PolarHBondContact OD1-N 2.99Å; D863-R865 IonicContact OD1-NE 3.27Å; D863-R865 PolarHBondContact OD1-NE 3.39Å; D863-R865 IonicContact OD1-NH2 2.7Å; D863-R865 IonicContact OD2-CZ 3.73Å; D863-R865 IonicContact OD2-NE 3.89Å; D863-R865 IonicContact OD2-NH2 2.72Å; D863-R865 PolarHBondContact OD2-NH2 3.43Å
864	L	91.4	Very high	89	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.01	22%	0.224	C	C	.	.			trans	-114.9	13.2	-172.1	-52	175.2	0	0	0	112.2	F836 L841 L862 S866 T867 L874 L877 R887	F836-L864 HydrophobicContact CB-CD2 4.43Å; F836-L864 HydrophobicContact CD2-CD2 3.86Å; L841-L864 HydrophobicContact CD1-CD2 3.94Å; L862-L864 HydrophobicContact CB-CD1 4.43Å; L862-L864 HydrophobicContact CB-CD2 4.35Å; L862-L864 HydrophobicContact CB-CG 4.15Å; L862-L864 HydrophobicContact CD1-CD1 4.4Å; L864-S866 PolarHBondContact O-N 2.91Å; L864-T867 HydrophobicContact CB-CG2 4.15Å; L864-T867 WeakPolarHBondContact O-CB 3.35Å; L864-T867 VanDerWaalsContact O-CG2 3.26Å; L864-T867 WeakPolarHBondContact O-CG2 3.17Å; L864-T867 PolarHBondContact O-N 2.87Å; L864-T867 PolarHBondContact O-OG1 3.07Å; L864-L874 HydrophobicContact CD1-CD1 3.65Å; L864-L877 HydrophobicContact CD1-CD1 4.22Å; L864-R887 WeakPolarHBondContact CA-O 3.39Å; L864-R887 WeakPolarHBondContact CB-O 3.33Å; L864-R887 PolarHBondContact N-O 3.15Å
865	R	87.4	Confident	88.7	Confident	75 Å²	75	30.6 Å²	30.6	28%	0.283	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	135.3	178.4	-69.6	174.9	-63.2	159.1	8.7	111.1	L837 G838 D863 T867 R887	L837-R865 WeakPolarHBondContact CA-O 3.49Å; L837-R865 HydrophobicContact CD1-CB 3.76Å; G838-R865 PolarHBondContact N-O 3.29Å; G838-R865 VanDerWaalsContact N-O 3.14Å; D863-R865 WeakPolarHBondContact OD1-CG 3.42Å; D863-R865 IonicContact OD1-CZ 3.85Å; D863-R865 PolarHBondContact OD1-N 2.99Å; D863-R865 IonicContact OD1-NE 3.27Å; D863-R865 PolarHBondContact OD1-NE 3.39Å; D863-R865 IonicContact OD1-NH2 2.7Å; D863-R865 IonicContact OD2-CZ 3.73Å; D863-R865 IonicContact OD2-NE 3.89Å; D863-R865 IonicContact OD2-NH2 2.72Å; D863-R865 PolarHBondContact OD2-NH2 3.43Å; R865-T867 PolarHBondContact O-N 2.95Å; R865-R887 HydrophobicContact CG-CB 4.32Å
866	S	82.1	Confident	88.6	Confident	43 Å²	43	31.1 Å²	31.1	30%	0.301	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	23.7	-176.8	-48.6	0	0	0	0	114.8	T385 G838 L864 G868	T385-S866 WeakPolarHBondContact CB-O 3.38Å; T385-S866 WeakPolarHBondContact CG2-O 3.45Å; G838-S866 CarbonylContact C-O 3.59Å; G838-S866 WeakPolarHBondContact CA-O 3.25Å; L864-S866 PolarHBondContact O-N 2.91Å; S866-G868 VanDerWaalsContact C-N 3.31Å
867	T	83.7	Confident	88.6	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.006	20%	0.196	C	C	.	.			trans	-77	-25.2	162.9	61	0	0	0	0	111.4	T385 F836 T839 R840 L841 L864 R865 I869	T385-T867 WeakPolarHBondContact CG2-O 3.18Å; F836-T867 HydrophobicContact CB-CG2 3.76Å; F836-T867 WeakPolarHBondContact O-CG2 3.04Å; T839-T867 WeakPolarHBondContact O-CA 3.36Å; T839-T867 WeakPolarHBondContact O-CB 3.36Å; T839-T867 WeakPolarHBondContact O-CG2 3.24Å; R840-T867 WeakPolarHBondContact CA-O 3.38Å; L841-T867 HydrophobicContact CD1-CG2 3.69Å; L841-T867 HydrophobicContact CG-CG2 3.94Å; L841-T867 PolarHBondContact N-O 3.02Å; L864-T867 HydrophobicContact CB-CG2 4.15Å; L864-T867 WeakPolarHBondContact O-CB 3.35Å; L864-T867 VanDerWaalsContact O-CG2 3.26Å; L864-T867 WeakPolarHBondContact O-CG2 3.17Å; L864-T867 PolarHBondContact O-N 2.87Å; L864-T867 PolarHBondContact O-OG1 3.07Å; R865-T867 PolarHBondContact O-N 2.95Å; T867-I869 PolarHBondContact O-N 3.2Å
868	G	79.6	Confident	88.8	Confident	2 Å²	2	26.7 Å²	26.7	2%	0.021	16%	0.159	C	C	.	.			trans	42.8	52	-171.4	0	0	0	0	0	112.5	R391 S866	R391-G868 PolarHBondContact NH1-O 2.87Å; R391-G868 VanDerWaalsContact NH2-CA 3.28Å; R391-G868 PolarHBondContact NH2-O 2.82Å; S866-G868 VanDerWaalsContact C-N 3.31Å
869	I	86	Confident	88.7	Confident	3 Å²	3	24.9 Å²	24.9	2%	0.015	16%	0.159	C	C	.	.			trans	-60.2	153.1	165.5	-170.6	166.4	0	0	0	110	L841 A846 T867 G873 L874 L877	L841-I869 HydrophobicContact CB-CB 4.39Å; L841-I869 HydrophobicContact CD1-CD1 4.23Å; A846-I869 HydrophobicContact CB-CD1 3.82Å; A846-I869 HydrophobicContact CB-CG1 4.49Å; T867-I869 PolarHBondContact O-N 3.2Å; I869-G873 VanDerWaalsContact CD1-C 3.43Å; I869-L874 HydrophobicContact CG2-CB 3.95Å; I869-L874 HydrophobicContact CG2-CD1 4.23Å; I869-L877 HydrophobicContact CD1-CD1 3.65Å
870	C	80.7	Confident	88.6	Confident	31 Å²	31	20.6 Å²	20.6	21%	0.209	14%	0.136	C	C	.	.			trans	-75.2	153	171.9	55.5	0	0	0	0	111	W388 S872 G873 L874	W388-C870 HydrophobicContact CZ3-CB 4.27Å; C870-S872 VanDerWaalsContact C-N 3.29Å; C870-S872 PolarHBondContact O-N 3.08Å; C870-G873 CarbonylContact O-C 3.58Å; C870-G873 WeakPolarHBondContact O-CA 3.44Å; C870-G873 PolarHBondContact O-N 3.32Å; C870-G873 PolarHBondContact SG-N 3.24Å; C870-L874 PolarHBondContact O-N 2.77Å
871	P	82.8	Confident	88.4	Confident	20 Å²	20	26 Å²	26	13%	0.13	17%	0.174	C	C	.	.	H	α-helix	trans	-54.3	-39.5	179.9	-29.6	35.7	0	0	0	114.1	W388 G873 L874 G875 L896	W388-P871 VanDerWaalsContact CD2-CD 3.46Å; W388-P871 HydrophobicContact CD2-CG 3.83Å; W388-P871 HydrophobicContact CE3-CG 4.47Å; W388-P871 HydrophobicContact CG-CG 3.98Å; W388-P871 HydrophobicContact CZ2-CG 4.16Å; P871-G873 VanDerWaalsContact C-N 3.34Å; P871-G873 PolarHBondContact O-N 2.98Å; P871-L874 PolarHBondContact O-N 2.84Å; P871-G875 PolarHBondContact O-N 2.71Å; P871-L896 HydrophobicContact CB-CD1 4.25Å; P871-L896 WeakPolarHBondContact O-CD1 3.36Å
872	S	83	Confident	88.3	Confident	70 Å²	70	25.4 Å²	25.4	49%	0.49	17%	0.169	S	C	.	.	H	α-helix	trans	-66	-33.4	175	51.7	0	0	0	0	113.4	C870 S876	C870-S872 VanDerWaalsContact C-N 3.29Å; C870-S872 PolarHBondContact O-N 3.08Å; S872-S876 WeakPolarHBondContact O-CB 3.47Å; S872-S876 PolarHBondContact O-N 3.18Å; S872-S876 PolarHBondContact O-OG 3.4Å
873	G	87.2	Confident	88.3	Confident	6 Å²	6	25.3 Å²	25.3	6%	0.062	17%	0.169	C	C	.	.	H	α-helix	trans	-70.1	-39.2	171.4	0	0	0	0	0	112.5	I869 C870 P871 S876 L877	I869-G873 VanDerWaalsContact CD1-C 3.43Å; C870-G873 CarbonylContact O-C 3.58Å; C870-G873 WeakPolarHBondContact O-CA 3.44Å; C870-G873 PolarHBondContact O-N 3.32Å; C870-G873 PolarHBondContact SG-N 3.24Å; P871-G873 VanDerWaalsContact C-N 3.34Å; P871-G873 PolarHBondContact O-N 2.98Å; G873-S876 PolarHBondContact O-OG 3.23Å; G873-S876 VanDerWaalsContact O-OG 3.04Å; G873-L877 WeakPolarHBondContact O-CG 3.25Å; G873-L877 PolarHBondContact O-N 3.23Å
874	L	90.1	Very high	88.4	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-66.8	-47.2	175.5	-174.6	60.1	0	0	0	110.9	L864 I869 C870 P871 S876 L877 V878 F886 A888 L896	L864-L874 HydrophobicContact CD1-CD1 3.65Å; I869-L874 HydrophobicContact CG2-CB 3.95Å; I869-L874 HydrophobicContact CG2-CD1 4.23Å; C870-L874 PolarHBondContact O-N 2.77Å; P871-L874 PolarHBondContact O-N 2.84Å; L874-S876 PolarHBondContact O-N 3.23Å; L874-L877 PolarHBondContact O-N 3.23Å; L874-V878 HydrophobicContact CD1-CG2 3.95Å; L874-V878 HydrophobicContact CG-CG2 4.29Å; L874-V878 WeakPolarHBondContact O-CB 3.46Å; L874-V878 VanDerWaalsContact O-CG2 3.26Å; L874-V878 WeakPolarHBondContact O-CG2 3.33Å; L874-V878 PolarHBondContact O-N 3.01Å; L874-F886 HydrophobicContact CD1-CD2 4.23Å; L874-F886 HydrophobicContact CD1-CE2 4.27Å; L874-A888 HydrophobicContact CD1-CB 4.24Å; L874-A888 HydrophobicContact CD2-CB 4.16Å; L874-L896 HydrophobicContact CB-CD2 4.17Å; L874-L896 HydrophobicContact CD2-CD2 3.83Å; L874-L896 HydrophobicContact CG-CD2 3.77Å
875	G	89.5	Confident	88.4	Confident	12 Å²	12	33.1 Å²	33.1	12%	0.124	20%	0.202	C	C	.	.	H	α-helix	trans	-59	-42.3	176.7	0	0	0	0	0	113.1	P871 V878 G879	P871-G875 PolarHBondContact O-N 2.71Å; G875-V878 PolarHBondContact O-N 3.31Å; G875-G879 PolarHBondContact O-N 2.81Å
876	S	90.8	Very high	88.8	Confident	67 Å²	67	29.5 Å²	29.5	47%	0.469	19%	0.189	S	C	.	.	H	α-helix	trans	-68.3	-32.4	177.6	55.7	0	0	0	0	113.9	S872 G873 L874 L880	S872-S876 WeakPolarHBondContact O-CB 3.47Å; S872-S876 PolarHBondContact O-N 3.18Å; S872-S876 PolarHBondContact O-OG 3.4Å; G873-S876 PolarHBondContact O-OG 3.23Å; G873-S876 VanDerWaalsContact O-OG 3.04Å; L874-S876 PolarHBondContact O-N 3.23Å; S876-L880 WeakPolarHBondContact O-CG 3.49Å
877	L	93.1	Very high	89.3	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-73.6	-41.8	171.2	-70.8	175.6	0	0	0	112.6	A846 L849 L853 L864 I869 G873 L874 L880 V883	A846-L877 HydrophobicContact CB-CD1 4.37Å; L849-L877 HydrophobicContact CB-CD2 4.36Å; L849-L877 HydrophobicContact CD2-CD1 4.15Å; L849-L877 HydrophobicContact CD2-CD2 4.24Å; L849-L877 HydrophobicContact CG-CD2 4.11Å; L853-L877 HydrophobicContact CD1-CD2 4.12Å; L864-L877 HydrophobicContact CD1-CD1 4.22Å; I869-L877 HydrophobicContact CD1-CD1 3.65Å; G873-L877 WeakPolarHBondContact O-CG 3.25Å; G873-L877 PolarHBondContact O-N 3.23Å; L874-L877 PolarHBondContact O-N 3.23Å; L877-L880 WeakPolarHBondContact O-CB 3.44Å; L877-L880 WeakPolarHBondContact O-CG 3.45Å; L877-L880 PolarHBondContact O-N 3.01Å; L877-V883 WeakPolarHBondContact O-CG2 3.48Å
878	V	91.3	Very high	89.6	Confident	2 Å²	2	31 Å²	31	1%	0.012	19%	0.189	C	C	.	.	H	α-helix	trans	-75.8	-27.1	-176	172.8	0	0	0	0	112.1	L874 G875 L880 F886 A912 K915	L874-V878 HydrophobicContact CD1-CG2 3.95Å; L874-V878 HydrophobicContact CG-CG2 4.29Å; L874-V878 WeakPolarHBondContact O-CB 3.46Å; L874-V878 VanDerWaalsContact O-CG2 3.26Å; L874-V878 WeakPolarHBondContact O-CG2 3.33Å; L874-V878 PolarHBondContact O-N 3.01Å; G875-V878 PolarHBondContact O-N 3.31Å; V878-L880 PolarHBondContact O-N 2.98Å; V878-F886 HydrophobicContact CB-CD1 4.4Å; V878-F886 HydrophobicContact CB-CE1 4.31Å; V878-F886 HydrophobicContact CG1-CD1 3.82Å; V878-F886 HydrophobicContact CG1-CE1 3.47Å; V878-F886 VanDerWaalsContact CG1-CE1 3.47Å; V878-F886 HydrophobicContact CG1-CZ 4.06Å; V878-F886 HydrophobicContact CG2-CB 4.36Å; V878-F886 HydrophobicContact CG2-CD1 3.63Å; V878-F886 HydrophobicContact CG2-CD2 3.81Å; V878-F886 HydrophobicContact CG2-CE1 3.76Å; V878-F886 HydrophobicContact CG2-CE2 3.93Å; V878-F886 HydrophobicContact CG2-CG 3.66Å; V878-F886 HydrophobicContact CG2-CZ 3.91Å; V878-A912 HydrophobicContact CG1-CB 3.93Å; V878-K915 HydrophobicContact CG1-CD 4.23Å; V878-K915 WeakPolarHBondContact O-CD 3.5Å; V878-K915 PolarHBondContact O-NZ 3.05Å
879	G	91	Very high	89.8	Confident	31 Å²	31	31.3 Å²	31.3	32%	0.32	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-19.8	173.1	0	0	0	0	0	114.8	G875 L908	G875-G879 PolarHBondContact O-N 2.81Å; G879-L908 VanDerWaalsContact CA-CD2 3.48Å
880	L	93	Very high	89.7	Confident	20 Å²	20	31.6 Å²	31.6	11%	0.105	19%	0.193	C	C	.	.	S	Bend	trans	-64.9	133.2	-179.1	-55.9	-178.8	0	0	0	111.6	L853 E854 S876 L877 V878 C882 V883 K915	L853-L880 HydrophobicContact CB-CD1 4.05Å; L853-L880 HydrophobicContact CD1-CD1 4.14Å; E854-L880 HydrophobicContact CG-CD1 4.24Å; E854-L880 HydrophobicContact CG-CD2 3.75Å; S876-L880 WeakPolarHBondContact O-CG 3.49Å; L877-L880 WeakPolarHBondContact O-CB 3.44Å; L877-L880 WeakPolarHBondContact O-CG 3.45Å; L877-L880 PolarHBondContact O-N 3.01Å; V878-L880 PolarHBondContact O-N 2.98Å; L880-C882 VanDerWaalsContact C-N 3.28Å; L880-C882 PolarHBondContact O-N 2.98Å; L880-V883 HydrophobicContact CB-CG2 4.15Å; L880-V883 HydrophobicContact CD1-CG2 4.49Å; L880-V883 PolarHBondContact O-N 3.08Å; L880-V883 VanDerWaalsContact O-N 3.15Å; L880-K915 PolarHBondContact O-NZ 3.47Å
881	S	91.9	Very high	89.7	Confident	114 Å²	114	30.5 Å²	30.5	80%	0.797	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-35.2	179.9	49.7	0	0	0	0	113.2	V883	S881-V883 VanDerWaalsContact C-N 3.31Å; S881-V883 PolarHBondContact O-N 2.97Å
882	C	93.4	Very high	89.8	Confident	12 Å²	12	29.8 Å²	29.8	8%	0.081	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-15.5	177.8	56.1	0	0	0	0	114.5	L853 Q858 D859 F860 L880 T884	L853-C882 VanDerWaalsContact C-SG 3.55Å; L853-C882 PolarHBondContact O-SG 2.84Å; Q858-C882 WeakPolarHBondContact O-CB 3.45Å; D859-C882 CarbonylContact C-O 3.52Å; D859-C882 WeakPolarHBondContact CA-O 3.41Å; F860-C882 HydrophobicContact CD2-CB 4.35Å; F860-C882 PolarHBondContact N-O 2.96Å; L880-C882 VanDerWaalsContact C-N 3.28Å; L880-C882 PolarHBondContact O-N 2.98Å; C882-T884 PolarHBondContact O-N 3.18Å
883	V	95.3	Very high	90	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	107.9	172.1	175.1	0	0	0	0	108	L853 L862 L877 L880 S881 K915	L853-V883 HydrophobicContact CD1-CG2 4.04Å; L862-V883 HydrophobicContact CD1-CG1 4.14Å; L862-V883 HydrophobicContact CD1-CG2 3.82Å; L862-V883 HydrophobicContact CG-CG1 4.27Å; L862-V883 HydrophobicContact CG-CG2 4.27Å; L877-V883 WeakPolarHBondContact O-CG2 3.48Å; L880-V883 HydrophobicContact CB-CG2 4.15Å; L880-V883 HydrophobicContact CD1-CG2 4.49Å; L880-V883 PolarHBondContact O-N 3.08Å; L880-V883 VanDerWaalsContact O-N 3.15Å; S881-V883 VanDerWaalsContact C-N 3.31Å; S881-V883 PolarHBondContact O-N 2.97Å; V883-K915 WeakPolarHBondContact O-CD 3.37Å; V883-K915 WeakPolarHBondContact O-CE 3.39Å; V883-K915 PolarHBondContact O-NZ 3.49Å
884	T	92.5	Very high	89.9	Confident	50 Å²	50	26.5 Å²	26.5	31%	0.307	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-29.3	-178.4	58.8	0	0	0	0	112.8	D859 F860 C882	D859-T884 HydrophobicContact CB-CG2 3.65Å; D859-T884 VanDerWaalsContact CG-CG2 3.43Å; F860-T884 PolarHBondContact O-N 2.96Å; F860-T884 PolarHBondContact O-OG1 2.9Å; C882-T884 PolarHBondContact O-N 3.18Å
885	R	93.1	Very high	89.5	Confident	134 Å²	134	27.5 Å²	27.5	51%	0.506	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	149.7	173	-62.3	-175.6	-168.9	80.3	-3.1	110.8	F860 S861 L862 K915	F860-R885 PolarHBondContact O-N 2.78Å; S861-R885 WeakPolarHBondContact CA-O 3.41Å; L862-R885 PolarHBondContact N-O 2.74Å; R885-K915 CarbonylContact C-O 3.59Å; R885-K915 VanDerWaalsContact CA-O 3.28Å; R885-K915 WeakPolarHBondContact CA-O 3.3Å
886	F	94.6	Very high	89.5	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	162.7	165.5	76.8	-76.6	0	0	0	112.5	L862 L874 V878 A888 T893 A912 K915 F916 T917	L862-F886 HydrophobicContact CB-CB 4.25Å; L862-F886 CarbonylContact O-C 3.58Å; L862-F886 VanDerWaalsContact O-CA 3.24Å; L862-F886 WeakPolarHBondContact O-CA 3.35Å; L874-F886 HydrophobicContact CD1-CD2 4.23Å; L874-F886 HydrophobicContact CD1-CE2 4.27Å; V878-F886 HydrophobicContact CB-CD1 4.4Å; V878-F886 HydrophobicContact CB-CE1 4.31Å; V878-F886 HydrophobicContact CG1-CD1 3.82Å; V878-F886 HydrophobicContact CG1-CE1 3.47Å; V878-F886 VanDerWaalsContact CG1-CE1 3.47Å; V878-F886 HydrophobicContact CG1-CZ 4.06Å; V878-F886 HydrophobicContact CG2-CB 4.36Å; V878-F886 HydrophobicContact CG2-CD1 3.63Å; V878-F886 HydrophobicContact CG2-CD2 3.81Å; V878-F886 HydrophobicContact CG2-CE1 3.76Å; V878-F886 HydrophobicContact CG2-CE2 3.93Å; V878-F886 HydrophobicContact CG2-CG 3.66Å; V878-F886 HydrophobicContact CG2-CZ 3.91Å; F886-A888 HydrophobicContact CD2-CB 4.22Å; F886-A888 HydrophobicContact CE2-CB 4.23Å; F886-T893 HydrophobicContact CE2-CG2 4.1Å; F886-T893 HydrophobicContact CZ-CG2 3.97Å; F886-A912 WeakPolarHBondContact CE1-O 3.43Å; F886-K915 HydrophobicContact CD1-CB 3.74Å; F886-K915 WeakPolarHBondContact CD1-O 3.28Å; F886-K915 HydrophobicContact CE1-CB 3.95Å; F886-K915 PolarHBondContact N-O 3.04Å; F886-F916 HydrophobicContact CD2-CD2 4.17Å; F886-F916 HydrophobicContact CE1-CB 3.72Å; F886-F916 HydrophobicContact CE1-CD2 4.34Å; F886-F916 HydrophobicContact CE2-CB 4.45Å; F886-F916 AromaticContact CE2-CD2 3.61Å; F886-F916 HydrophobicContact CE2-CD2 3.61Å; F886-F916 HydrophobicContact CE2-CE2 4.32Å; F886-F916 HydrophobicContact CE2-CG 4.41Å; F886-F916 HydrophobicContact CZ-CB 3.69Å; F886-F916 AromaticContact CZ-CD2 3.71Å; F886-F916 HydrophobicContact CZ-CD2 3.71Å; F886-F916 HydrophobicContact CZ-CG 4.06Å; F886-T917 PolarHBondContact O-N 2.81Å; F886-T917 PolarHBondContact O-OG1 2.76Å; F886-T917 VanDerWaalsContact O-OG1 3.06Å
887	R	92.1	Very high	89.4	Confident	67 Å²	67	24.5 Å²	24.5	25%	0.253	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138.6	167.6	-50.4	-176.9	177.4	-172.5	-9.7	107.2	L862 L864 R865 T917 E919	L862-R887 PolarHBondContact O-N 3.15Å; L864-R887 WeakPolarHBondContact CA-O 3.39Å; L864-R887 WeakPolarHBondContact CB-O 3.33Å; L864-R887 PolarHBondContact N-O 3.15Å; R865-R887 HydrophobicContact CG-CB 4.32Å; R887-T917 WeakPolarHBondContact CG-O 3.36Å; R887-T917 WeakPolarHBondContact CG-OG1 3.23Å; R887-E919 PolarHBondContact NH1-O 3.12Å; R887-E919 PolarHBondContact NH2-O 3.27Å
888	A	90.2	Very high	89	Confident	8 Å²	8	28.1 Å²	28.1	7%	0.066	16%	0.157	C	C	.	.			trans	-145	-177	172.3	0	0	0	0	0	107.7	L874 F886	L874-A888 HydrophobicContact CD1-CB 4.24Å; L874-A888 HydrophobicContact CD2-CB 4.16Å; F886-A888 HydrophobicContact CD2-CB 4.22Å; F886-A888 HydrophobicContact CE2-CB 4.23Å
889	A	84.8	Confident	88.7	Confident	9 Å²	9	29.9 Å²	29.9	7%	0.074	17%	0.169	C	C	.	.			trans	-60.5	140	165.1	0	0	0	0	0	109.5	D387 S891 D892 T893	D387-A889 HydrophobicContact CB-CB 3.93Å; D387-A889 WeakPolarHBondContact OD1-CB 3.47Å; D387-A889 WeakPolarHBondContact OD2-CB 3.44Å; A889-S891 VanDerWaalsContact C-N 3.29Å; A889-S891 PolarHBondContact O-N 3.02Å; A889-D892 HydrophobicContact CB-CB 4.01Å; A889-D892 PolarHBondContact O-N 2.85Å; A889-T893 PolarHBondContact O-N 3.31Å; A889-T893 PolarHBondContact O-OG1 3.16Å
890	L	84.6	Confident	88.6	Confident	8 Å²	8	29 Å²	29	4%	0.042	16%	0.157	C	C	.	.	H	α-helix	trans	-63.9	-40.5	-179.8	-176.3	59.5	0	0	0	110.4	D892 T893 V894 F916 I918 F921 D931 L932 L935	L890-D892 PolarHBondContact O-N 3.13Å; L890-T893 PolarHBondContact O-N 2.86Å; L890-V894 HydrophobicContact CD1-CG2 4.41Å; L890-V894 WeakPolarHBondContact O-CB 3.19Å; L890-V894 WeakPolarHBondContact O-CG2 3.41Å; L890-V894 PolarHBondContact O-N 3.37Å; L890-F916 HydrophobicContact CD1-CE1 3.49Å; L890-F916 VanDerWaalsContact CD1-CE1 3.49Å; L890-F916 HydrophobicContact CD1-CZ 3.63Å; L890-I918 HydrophobicContact CD1-CG2 4.23Å; L890-F921 HydrophobicContact CB-CE2 4.25Å; L890-F921 HydrophobicContact CD2-CE2 4.15Å; L890-F921 HydrophobicContact CD2-CZ 3.98Å; L890-D931 HydrophobicContact CD2-CB 4Å; L890-D931 HydrophobicContact CG-CB 3.92Å; L890-L932 HydrophobicContact CD2-CB 4.3Å; L890-L932 HydrophobicContact CD2-CD2 3.72Å; L890-L932 HydrophobicContact CD2-CG 3.75Å; L890-L935 HydrophobicContact CD1-CD2 4.3Å
891	S	80.3	Confident	88.3	Confident	9 Å²	9	34.7 Å²	34.7	6%	0.063	18%	0.184	C	C	.	.	H	α-helix	trans	-62.5	-39.9	176.2	76.7	0	0	0	0	113.4	A889 A895 D931	A889-S891 VanDerWaalsContact C-N 3.29Å; A889-S891 PolarHBondContact O-N 3.02Å; S891-A895 VanDerWaalsContact O-CB 3.3Å; S891-A895 WeakPolarHBondContact O-CB 3.39Å; S891-A895 PolarHBondContact O-N 2.93Å; S891-D931 WeakPolarHBondContact CA-OD2 3.49Å; S891-D931 WeakPolarHBondContact CB-OD2 3.45Å
892	D	84.3	Confident	88	Confident	5 Å²	5	36.6 Å²	36.6	3%	0.027	18%	0.18	C	C	.	.	H	α-helix	trans	-66.6	-37.2	175.2	-67	14	0	0	0	111.8	D387 W388 A889 L890 L896	D387-D892 WeakPolarHBondContact CB-OD1 3.48Å; W388-D892 WeakPolarHBondContact CA-OD1 3.3Å; W388-D892 HydrophobicContact CB-CB 4.38Å; W388-D892 VanDerWaalsContact CB-OD1 3.27Å; W388-D892 WeakPolarHBondContact CB-OD1 3.34Å; W388-D892 VanDerWaalsContact N-CG 3.33Å; W388-D892 PolarHBondContact N-OD1 3.33Å; W388-D892 PolarHBondContact N-OD2 2.89Å; A889-D892 HydrophobicContact CB-CB 4.01Å; A889-D892 PolarHBondContact O-N 2.85Å; L890-D892 PolarHBondContact O-N 3.13Å; D892-L896 WeakPolarHBondContact O-CB 3.48Å; D892-L896 PolarHBondContact O-N 2.73Å
893	T	88.1	Confident	87.6	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-72.5	-42.8	-179.4	-50.2	0	0	0	0	111.3	F886 A889 L890 L896 W897 F916	F886-T893 HydrophobicContact CE2-CG2 4.1Å; F886-T893 HydrophobicContact CZ-CG2 3.97Å; A889-T893 PolarHBondContact O-N 3.31Å; A889-T893 PolarHBondContact O-OG1 3.16Å; L890-T893 PolarHBondContact O-N 2.86Å; T893-L896 WeakPolarHBondContact O-CB 3.37Å; T893-L896 PolarHBondContact O-N 3.48Å; T893-W897 HydrophobicContact CG2-CD2 4.44Å; T893-W897 HydrophobicContact CG2-CZ2 3.85Å; T893-W897 PolarHBondContact O-N 3.31Å; T893-F916 HydrophobicContact CG2-CB 4.45Å; T893-F916 HydrophobicContact CG2-CD1 3.95Å; T893-F916 HydrophobicContact CG2-CD2 3.73Å; T893-F916 HydrophobicContact CG2-CE1 4.05Å; T893-F916 HydrophobicContact CG2-CE2 3.83Å; T893-F916 HydrophobicContact CG2-CG 3.79Å; T893-F916 HydrophobicContact CG2-CZ 3.98Å; T893-F916 VanDerWaalsContact OG1-CE2 3.31Å; T893-F916 WeakPolarHBondContact OG1-CE2 3.5Å
894	V	83.8	Confident	87.1	Confident	6 Å²	6	44.7 Å²	44.7	4%	0.036	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-44.4	172.9	165.8	0	0	0	0	110.9	L890 L896 W897 E898 K934	L890-V894 HydrophobicContact CD1-CG2 4.41Å; L890-V894 WeakPolarHBondContact O-CB 3.19Å; L890-V894 WeakPolarHBondContact O-CG2 3.41Å; L890-V894 PolarHBondContact O-N 3.37Å; V894-L896 VanDerWaalsContact C-N 3.28Å; V894-L896 PolarHBondContact O-N 3.04Å; V894-W897 HydrophobicContact CG2-CE3 4.42Å; V894-W897 PolarHBondContact O-N 3.16Å; V894-W897 VanDerWaalsContact O-N 3.14Å; V894-E898 HydrophobicContact CG1-CG 4.44Å; V894-E898 WeakPolarHBondContact CG1-OE1 3.38Å; V894-E898 WeakPolarHBondContact O-CG 3.19Å; V894-E898 PolarHBondContact O-N 3.41Å; V894-K934 HydrophobicContact CG1-CD 3.48Å; V894-K934 VanDerWaalsContact CG1-CD 3.48Å
895	A	82.8	Confident	86.9	Confident	22 Å²	22	46.3 Å²	46.3	18%	0.182	23%	0.234	C	C	.	.	H	α-helix	trans	-63.6	-33.4	175.7	0	0	0	0	0	112.6	S891 S899	S891-A895 VanDerWaalsContact O-CB 3.3Å; S891-A895 WeakPolarHBondContact O-CB 3.39Å; S891-A895 PolarHBondContact O-N 2.93Å; A895-S899 VanDerWaalsContact O-CB 3.31Å; A895-S899 WeakPolarHBondContact O-CB 3.46Å; A895-S899 PolarHBondContact O-N 2.98Å
896	L	88.5	Confident	86.6	Confident	4 Å²	4	44.8 Å²	44.8	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-65	-45.8	170.5	175.9	61.5	0	0	0	111.4	P871 L874 D892 T893 V894 S899 L900 A912	P871-L896 HydrophobicContact CB-CD1 4.25Å; P871-L896 WeakPolarHBondContact O-CD1 3.36Å; L874-L896 HydrophobicContact CB-CD2 4.17Å; L874-L896 HydrophobicContact CD2-CD2 3.83Å; L874-L896 HydrophobicContact CG-CD2 3.77Å; D892-L896 WeakPolarHBondContact O-CB 3.48Å; D892-L896 PolarHBondContact O-N 2.73Å; T893-L896 WeakPolarHBondContact O-CB 3.37Å; T893-L896 PolarHBondContact O-N 3.48Å; V894-L896 VanDerWaalsContact C-N 3.28Å; V894-L896 PolarHBondContact O-N 3.04Å; L896-S899 PolarHBondContact O-N 2.91Å; L896-L900 HydrophobicContact CD1-CD1 3.73Å; L896-L900 HydrophobicContact CD1-CD2 4.31Å; L896-L900 HydrophobicContact CD1-CG 3.8Å; L896-L900 HydrophobicContact CD2-CD1 4.41Å; L896-L900 HydrophobicContact CG-CD1 3.74Å; L896-L900 HydrophobicContact CG-CG 4.25Å; L896-L900 WeakPolarHBondContact O-CB 3.41Å; L896-L900 VanDerWaalsContact O-CG 3.28Å; L896-L900 WeakPolarHBondContact O-CG 3.28Å; L896-L900 PolarHBondContact O-N 2.53Å; L896-A912 HydrophobicContact CD2-CB 4.47Å
897	W	88.1	Confident	86.2	Confident	12 Å²	12	53.1 Å²	53.1	5%	0.045	28%	0.276	C	S	.	.	H	α-helix	trans	-62.2	-47	177.4	-63.8	-17.9	0	0	0	112.4	T893 V894 S899 L900 Q901 L909 E913 F916 L935	T893-W897 HydrophobicContact CG2-CD2 4.44Å; T893-W897 HydrophobicContact CG2-CZ2 3.85Å; T893-W897 PolarHBondContact O-N 3.31Å; V894-W897 HydrophobicContact CG2-CE3 4.42Å; V894-W897 PolarHBondContact O-N 3.16Å; V894-W897 VanDerWaalsContact O-N 3.14Å; W897-S899 VanDerWaalsContact C-N 3.27Å; W897-S899 PolarHBondContact O-N 2.84Å; W897-L900 PolarHBondContact O-N 2.71Å; W897-Q901 VanDerWaalsContact O-CB 3.31Å; W897-Q901 WeakPolarHBondContact O-CB 3.14Å; W897-Q901 PolarHBondContact O-N 3Å; W897-L909 HydrophobicContact CB-CD1 3.69Å; W897-L909 HydrophobicContact CG-CD1 3.86Å; W897-E913 HydrophobicContact CD2-CG 4.24Å; W897-E913 HydrophobicContact CZ2-CB 4.47Å; W897-E913 HydrophobicContact CZ2-CG 3.99Å; W897-F916 AromaticContact CH2-CD1 3.83Å; W897-F916 HydrophobicContact CH2-CD1 3.83Å; W897-F916 HydrophobicContact CH2-CE1 4.34Å; W897-F916 HydrophobicContact CZ2-CB 4.15Å; W897-F916 AromaticContact CZ2-CD1 3.78Å; W897-F916 HydrophobicContact CZ2-CD1 3.78Å; W897-F916 HydrophobicContact CZ2-CG 4.24Å; W897-L935 HydrophobicContact CH2-CD1 3.58Å; W897-L935 HydrophobicContact CZ3-CD1 3.77Å
898	E	85.2	Confident	86.1	Confident	77 Å²	77	53 Å²	53	36%	0.36	28%	0.28	S	S	.	.	H	α-helix	trans	-56.8	-40.3	174.8	-71.8	172.9	-169.8	0	0	111.3	V894 Q902 K934	V894-E898 HydrophobicContact CG1-CG 4.44Å; V894-E898 WeakPolarHBondContact CG1-OE1 3.38Å; V894-E898 WeakPolarHBondContact O-CG 3.19Å; V894-E898 PolarHBondContact O-N 3.41Å; E898-Q902 VanDerWaalsContact O-CG 3.25Å; E898-Q902 WeakPolarHBondContact O-CG 3.35Å; E898-Q902 PolarHBondContact O-N 3.39Å; E898-Q902 PolarHBondContact O-NE2 2.85Å; E898-K934 IonicContact OE1-NZ 2.76Å; E898-K934 PolarHBondContact OE1-NZ 3.07Å
899	S	86.2	Confident	86.1	Confident	39 Å²	39	53.9 Å²	53.9	27%	0.273	28%	0.283	S	S	.	.	H	α-helix	trans	-70.1	-48.4	176.7	-175	0	0	0	0	113.2	A895 L896 W897 Q901 Q902 H903	A895-S899 VanDerWaalsContact O-CB 3.31Å; A895-S899 WeakPolarHBondContact O-CB 3.46Å; A895-S899 PolarHBondContact O-N 2.98Å; L896-S899 PolarHBondContact O-N 2.91Å; W897-S899 VanDerWaalsContact C-N 3.27Å; W897-S899 PolarHBondContact O-N 2.84Å; S899-Q901 PolarHBondContact O-N 3.49Å; S899-Q902 PolarHBondContact O-N 2.99Å; S899-Q902 VanDerWaalsContact O-N 3.11Å; S899-H903 PolarHBondContact O-N 2.77Å; S899-H903 PolarHBondContact O-ND1 3.05Å; S899-H903 PolarHBondContact OG-ND1 3.03Å
900	L	88.3	Confident	86.2	Confident	12 Å²	12	58.1 Å²	58.1	6%	0.063	30%	0.302	C	S	.	.	H	α-helix	trans	-62.5	-34.2	179	-68	170	0	0	0	111.5	L896 W897 G904 E905 L908 L909 A912	L896-L900 HydrophobicContact CD1-CD1 3.73Å; L896-L900 HydrophobicContact CD1-CD2 4.31Å; L896-L900 HydrophobicContact CD1-CG 3.8Å; L896-L900 HydrophobicContact CD2-CD1 4.41Å; L896-L900 HydrophobicContact CG-CD1 3.74Å; L896-L900 HydrophobicContact CG-CG 4.25Å; L896-L900 WeakPolarHBondContact O-CB 3.41Å; L896-L900 VanDerWaalsContact O-CG 3.28Å; L896-L900 WeakPolarHBondContact O-CG 3.28Å; L896-L900 PolarHBondContact O-N 2.53Å; W897-L900 PolarHBondContact O-N 2.71Å; L900-G904 PolarHBondContact O-N 3.27Å; L900-E905 HydrophobicContact CB-CB 4.42Å; L900-E905 HydrophobicContact CD2-CB 3.84Å; L900-E905 HydrophobicContact CD2-CG 4.41Å; L900-E905 VanDerWaalsContact CD2-OE2 3.24Å; L900-E905 WeakPolarHBondContact CD2-OE2 3.46Å; L900-E905 PolarHBondContact O-N 3.02Å; L900-L908 HydrophobicContact CD1-CB 4.37Å; L900-L908 HydrophobicContact CD2-CB 4.15Å; L900-L909 HydrophobicContact CB-CB 4.08Å; L900-L909 HydrophobicContact CB-CD1 4.42Å; L900-L909 HydrophobicContact CD1-CB 4.47Å; L900-A912 HydrophobicContact CD1-CB 4.38Å
901	Q	86.5	Confident	86.4	Confident	141 Å²	141	58.8 Å²	58.8	66%	0.659	31%	0.308	S	S	*	.	H	α-helix	trans	-65.9	-42.2	173.3	-169.4	178.5	29.9	0	0	112	W897 S899 G904 L909	W897-Q901 VanDerWaalsContact O-CB 3.31Å; W897-Q901 WeakPolarHBondContact O-CB 3.14Å; W897-Q901 PolarHBondContact O-N 3Å; S899-Q901 PolarHBondContact O-N 3.49Å; Q901-G904 PolarHBondContact O-N 3.4Å; Q901-L909 HydrophobicContact CB-CD2 4.28Å
902	Q	86.7	Confident	86.9	Confident	154 Å²	154	58.5 Å²	58.5	72%	0.72	31%	0.306	S	S	*	.	H	α-helix	trans	-65.1	-36.7	176.1	-72.9	168.1	38.5	0	0	112.8	E898 S899 G904	E898-Q902 VanDerWaalsContact O-CG 3.25Å; E898-Q902 WeakPolarHBondContact O-CG 3.35Å; E898-Q902 PolarHBondContact O-N 3.39Å; E898-Q902 PolarHBondContact O-NE2 2.85Å; S899-Q902 PolarHBondContact O-N 2.99Å; S899-Q902 VanDerWaalsContact O-N 3.11Å; Q902-G904 VanDerWaalsContact C-N 3.35Å
903	H	84.8	Confident	87.1	Confident	130 Å²	130	59.3 Å²	59.3	60%	0.602	31%	0.31	S	S	*	.	H	α-helix	trans	-83.7	-7.6	178	-65.5	85.8	0	0	0	113.7	S899 E905	S899-H903 PolarHBondContact O-N 2.77Å; S899-H903 PolarHBondContact O-ND1 3.05Å; S899-H903 PolarHBondContact OG-ND1 3.03Å; H903-E905 HydrophobicContact CB-CG 4.12Å
904	G	84.9	Confident	87.2	Confident	51 Å²	51	63.4 Å²	63.4	53%	0.526	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	18.3	179.8	0	0	0	0	0	114.8	L900 Q901 Q902 T906	L900-G904 PolarHBondContact O-N 3.27Å; Q901-G904 PolarHBondContact O-N 3.4Å; Q902-G904 VanDerWaalsContact C-N 3.35Å; G904-T906 PolarHBondContact O-N 3.24Å
905	E	86.9	Confident	87.6	Confident	85 Å²	85	64.7 Å²	64.7	40%	0.397	33%	0.334	S	S	.	.			trans	-80.7	55	-174.8	-65.7	-171.2	-165.5	0	0	112.6	L900 H903 K907 L908 L909	L900-E905 HydrophobicContact CB-CB 4.42Å; L900-E905 HydrophobicContact CD2-CB 3.84Å; L900-E905 HydrophobicContact CD2-CG 4.41Å; L900-E905 VanDerWaalsContact CD2-OE2 3.24Å; L900-E905 WeakPolarHBondContact CD2-OE2 3.46Å; L900-E905 PolarHBondContact O-N 3.02Å; H903-E905 HydrophobicContact CB-CG 4.12Å; E905-K907 VanDerWaalsContact C-N 3.26Å; E905-K907 PolarHBondContact O-N 3.01Å; E905-L908 HydrophobicContact CB-CB 4.4Å; E905-L908 PolarHBondContact O-N 3.02Å; E905-L908 VanDerWaalsContact OE2-CD1 3.31Å; E905-L908 WeakPolarHBondContact OE2-CD1 3.43Å; E905-L909 PolarHBondContact O-N 2.85Å
906	T	86.4	Confident	88.1	Confident	101 Å²	101	63.6 Å²	63.6	62%	0.62	33%	0.325	S	S	*	.	H	α-helix	trans	-51.6	-37.6	-169.7	56.5	0	0	0	0	114.7	G904 Q910	G904-T906 PolarHBondContact O-N 3.24Å; T906-Q910 WeakPolarHBondContact O-CB 3.48Å; T906-Q910 PolarHBondContact O-N 2.97Å
907	K	88.1	Confident	88.2	Confident	176 Å²	176	63.9 Å²	63.9	77%	0.765	33%	0.327	S	S	*	.	H	α-helix	trans	-67.2	-39	177.7	-65.8	-176	179.5	-179.4	0	113.2	E905 A911	E905-K907 VanDerWaalsContact C-N 3.26Å; E905-K907 PolarHBondContact O-N 3.01Å; K907-A911 WeakPolarHBondContact O-CB 3.47Å; K907-A911 PolarHBondContact O-N 3.33Å
908	L	89.2	Confident	88.3	Confident	65 Å²	65	63.9 Å²	63.9	34%	0.34	33%	0.328	S	S	.	.	H	α-helix	trans	-78.6	-32.9	178.4	-73.4	170.9	0	0	0	110.9	G879 L900 E905 A911 A912	G879-L908 VanDerWaalsContact CA-CD2 3.48Å; L900-L908 HydrophobicContact CD1-CB 4.37Å; L900-L908 HydrophobicContact CD2-CB 4.15Å; E905-L908 HydrophobicContact CB-CB 4.4Å; E905-L908 PolarHBondContact O-N 3.02Å; E905-L908 VanDerWaalsContact OE2-CD1 3.31Å; E905-L908 WeakPolarHBondContact OE2-CD1 3.43Å; L908-A911 PolarHBondContact O-N 2.83Å; L908-A912 VanDerWaalsContact O-CB 3.27Å; L908-A912 WeakPolarHBondContact O-CB 3.47Å; L908-A912 PolarHBondContact O-N 2.81Å
909	L	89.1	Confident	88.3	Confident	26 Å²	26	62.1 Å²	62.1	14%	0.136	32%	0.32	C	S	.	.	H	α-helix	trans	-59.5	-52.1	169	178.3	60.7	0	0	0	111	W897 L900 Q901 E905 A911 A912 E913	W897-L909 HydrophobicContact CB-CD1 3.69Å; W897-L909 HydrophobicContact CG-CD1 3.86Å; L900-L909 HydrophobicContact CB-CB 4.08Å; L900-L909 HydrophobicContact CB-CD1 4.42Å; L900-L909 HydrophobicContact CD1-CB 4.47Å; Q901-L909 HydrophobicContact CB-CD2 4.28Å; E905-L909 PolarHBondContact O-N 2.85Å; L909-A911 PolarHBondContact O-N 2.84Å; L909-A912 PolarHBondContact O-N 2.91Å; L909-A912 VanDerWaalsContact O-N 3.12Å; L909-E913 HydrophobicContact CD1-CG 4.45Å; L909-E913 PolarHBondContact O-N 3.01Å
910	Q	87.6	Confident	88.2	Confident	98 Å²	98	63 Å²	63	46%	0.458	33%	0.325	S	S	.	.	H	α-helix	trans	-58.1	-46.3	177	-175.8	-180	4.4	0	0	111.8	T906 A912 E913 E914	T906-Q910 WeakPolarHBondContact O-CB 3.48Å; T906-Q910 PolarHBondContact O-N 2.97Å; Q910-A912 VanDerWaalsContact C-N 3.31Å; Q910-A912 PolarHBondContact O-N 3.4Å; Q910-E913 PolarHBondContact O-N 2.89Å; Q910-E914 HydrophobicContact CG-CG 4.34Å; Q910-E914 WeakPolarHBondContact CG-OE1 3.44Å; Q910-E914 PolarHBondContact NE2-OE1 3.31Å; Q910-E914 WeakPolarHBondContact O-CB 3.38Å; Q910-E914 WeakPolarHBondContact O-CG 3.45Å; Q910-E914 PolarHBondContact O-N 2.86Å
911	A	88.7	Confident	88.2	Confident	22 Å²	22	63.6 Å²	63.6	18%	0.182	33%	0.327	C	S	.	.	H	α-helix	trans	-62.4	-37	176.5	0	0	0	0	0	112.5	K907 L908 L909 K915	K907-A911 WeakPolarHBondContact O-CB 3.47Å; K907-A911 PolarHBondContact O-N 3.33Å; L908-A911 PolarHBondContact O-N 2.83Å; L909-A911 PolarHBondContact O-N 2.84Å; A911-K915 VanDerWaalsContact O-CB 3.3Å; A911-K915 WeakPolarHBondContact O-CB 3.11Å; A911-K915 VanDerWaalsContact O-CD 3.27Å; A911-K915 WeakPolarHBondContact O-CD 3.44Å; A911-K915 WeakPolarHBondContact O-CG 3.32Å; A911-K915 PolarHBondContact O-N 3.46Å
912	A	90.7	Very high	88.3	Confident	2 Å²	2	61.3 Å²	61.3	2%	0.017	31%	0.314	C	S	.	.	H	α-helix	trans	-71.4	-35.6	176.5	0	0	0	0	0	112.7	V878 F886 L896 L900 L908 L909 Q910 F916	V878-A912 HydrophobicContact CG1-CB 3.93Å; F886-A912 WeakPolarHBondContact CE1-O 3.43Å; L896-A912 HydrophobicContact CD2-CB 4.47Å; L900-A912 HydrophobicContact CD1-CB 4.38Å; L908-A912 VanDerWaalsContact O-CB 3.27Å; L908-A912 WeakPolarHBondContact O-CB 3.47Å; L908-A912 PolarHBondContact O-N 2.81Å; L909-A912 PolarHBondContact O-N 2.91Å; L909-A912 VanDerWaalsContact O-N 3.12Å; Q910-A912 VanDerWaalsContact C-N 3.31Å; Q910-A912 PolarHBondContact O-N 3.4Å; A912-F916 VanDerWaalsContact O-CB 3.28Å; A912-F916 WeakPolarHBondContact O-CB 3.44Å; A912-F916 PolarHBondContact O-N 2.87Å
913	E	89.1	Confident	88.4	Confident	22 Å²	22	54 Å²	54	10%	0.103	28%	0.28	C	S	.	.	H	α-helix	trans	-67.1	-46.7	173.1	-79.5	-177.3	-151.3	0	0	112.3	W897 L909 Q910 K915 R942 L952	W897-E913 HydrophobicContact CD2-CG 4.24Å; W897-E913 HydrophobicContact CZ2-CB 4.47Å; W897-E913 HydrophobicContact CZ2-CG 3.99Å; L909-E913 HydrophobicContact CD1-CG 4.45Å; L909-E913 PolarHBondContact O-N 3.01Å; Q910-E913 PolarHBondContact O-N 2.89Å; E913-K915 PolarHBondContact O-N 3.3Å; E913-R942 WeakPolarHBondContact OE2-CD 3.48Å; E913-R942 IonicContact OE2-CZ 3.72Å; E913-R942 IonicContact OE2-NE 3.26Å; E913-R942 IonicContact OE2-NH1 2.74Å; E913-R942 PolarHBondContact OE2-NH1 3.34Å; E913-L952 HydrophobicContact CB-CD2 3.67Å; E913-L952 HydrophobicContact CG-CD2 4.11Å
914	E	89.1	Confident	88.4	Confident	87 Å²	87	54.7 Å²	54.7	41%	0.407	28%	0.282	S	S	.	.	H	α-helix	trans	-79.1	-14.9	-172.4	-70.8	172.9	-173.4	0	0	114.2	Q910 R942	Q910-E914 HydrophobicContact CG-CG 4.34Å; Q910-E914 WeakPolarHBondContact CG-OE1 3.44Å; Q910-E914 PolarHBondContact NE2-OE1 3.31Å; Q910-E914 WeakPolarHBondContact O-CB 3.38Å; Q910-E914 WeakPolarHBondContact O-CG 3.45Å; Q910-E914 PolarHBondContact O-N 2.86Å; E914-R942 IonicContact OE1-CZ 2.84Å; E914-R942 IonicContact OE1-NH1 2.61Å; E914-R942 IonicContact OE1-NH2 3.57Å; E914-R942 PolarHBondContact OE1-NH2 3.31Å
915	K	92.3	Very high	88.3	Confident	32 Å²	32	54.4 Å²	54.4	14%	0.139	27%	0.271	C	S	.	.	H	α-helix	trans	-101.8	-11.4	176.8	-62.8	170.8	-178.9	-165.2	0	113.7	V878 L880 V883 R885 F886 A911 E913	V878-K915 HydrophobicContact CG1-CD 4.23Å; V878-K915 WeakPolarHBondContact O-CD 3.5Å; V878-K915 PolarHBondContact O-NZ 3.05Å; L880-K915 PolarHBondContact O-NZ 3.47Å; V883-K915 WeakPolarHBondContact O-CD 3.37Å; V883-K915 WeakPolarHBondContact O-CE 3.39Å; V883-K915 PolarHBondContact O-NZ 3.49Å; R885-K915 CarbonylContact C-O 3.59Å; R885-K915 VanDerWaalsContact CA-O 3.28Å; R885-K915 WeakPolarHBondContact CA-O 3.3Å; F886-K915 HydrophobicContact CD1-CB 3.74Å; F886-K915 WeakPolarHBondContact CD1-O 3.28Å; F886-K915 HydrophobicContact CE1-CB 3.95Å; F886-K915 PolarHBondContact N-O 3.04Å; A911-K915 VanDerWaalsContact O-CB 3.3Å; A911-K915 WeakPolarHBondContact O-CB 3.11Å; A911-K915 VanDerWaalsContact O-CD 3.27Å; A911-K915 WeakPolarHBondContact O-CD 3.44Å; A911-K915 WeakPolarHBondContact O-CG 3.32Å; A911-K915 PolarHBondContact O-N 3.46Å; E913-K915 PolarHBondContact O-N 3.3Å
916	F	93.3	Very high	88.2	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-78.8	136.5	-172.7	-179.6	-126.2	0	0	0	112.6	F886 L890 T893 W897 A912 I918 A954	F886-F916 HydrophobicContact CD2-CD2 4.17Å; F886-F916 HydrophobicContact CE1-CB 3.72Å; F886-F916 HydrophobicContact CE1-CD2 4.34Å; F886-F916 HydrophobicContact CE2-CB 4.45Å; F886-F916 AromaticContact CE2-CD2 3.61Å; F886-F916 HydrophobicContact CE2-CD2 3.61Å; F886-F916 HydrophobicContact CE2-CE2 4.32Å; F886-F916 HydrophobicContact CE2-CG 4.41Å; F886-F916 HydrophobicContact CZ-CB 3.69Å; F886-F916 AromaticContact CZ-CD2 3.71Å; F886-F916 HydrophobicContact CZ-CD2 3.71Å; F886-F916 HydrophobicContact CZ-CG 4.06Å; L890-F916 HydrophobicContact CD1-CE1 3.49Å; L890-F916 VanDerWaalsContact CD1-CE1 3.49Å; L890-F916 HydrophobicContact CD1-CZ 3.63Å; T893-F916 HydrophobicContact CG2-CB 4.45Å; T893-F916 HydrophobicContact CG2-CD1 3.95Å; T893-F916 HydrophobicContact CG2-CD2 3.73Å; T893-F916 HydrophobicContact CG2-CE1 4.05Å; T893-F916 HydrophobicContact CG2-CE2 3.83Å; T893-F916 HydrophobicContact CG2-CG 3.79Å; T893-F916 HydrophobicContact CG2-CZ 3.98Å; T893-F916 VanDerWaalsContact OG1-CE2 3.31Å; T893-F916 WeakPolarHBondContact OG1-CE2 3.5Å; W897-F916 AromaticContact CH2-CD1 3.83Å; W897-F916 HydrophobicContact CH2-CD1 3.83Å; W897-F916 HydrophobicContact CH2-CE1 4.34Å; W897-F916 HydrophobicContact CZ2-CB 4.15Å; W897-F916 AromaticContact CZ2-CD1 3.78Å; W897-F916 HydrophobicContact CZ2-CD1 3.78Å; W897-F916 HydrophobicContact CZ2-CG 4.24Å; A912-F916 VanDerWaalsContact O-CB 3.28Å; A912-F916 WeakPolarHBondContact O-CB 3.44Å; A912-F916 PolarHBondContact O-N 2.87Å; F916-I918 HydrophobicContact CE1-CG2 3.55Å; F916-I918 HydrophobicContact CE2-CG2 4.12Å; F916-I918 HydrophobicContact CZ-CG2 3.32Å; F916-A954 HydrophobicContact CD1-CB 3.51Å; F916-A954 HydrophobicContact CE1-CB 3.9Å; F916-A954 HydrophobicContact CG-CB 4.33Å; F916-A954 PolarHBondContact O-N 3.3Å
917	T	91.6	Very high	88.1	Confident	9 Å²	9	50.8 Å²	50.8	6%	0.055	25%	0.248	C	C	.	.			trans	-138.2	144.6	175.6	58.9	0	0	0	0	111.3	F886 R887 P953	F886-T917 PolarHBondContact O-N 2.81Å; F886-T917 PolarHBondContact O-OG1 2.76Å; F886-T917 VanDerWaalsContact O-OG1 3.06Å; R887-T917 WeakPolarHBondContact CG-O 3.36Å; R887-T917 WeakPolarHBondContact CG-OG1 3.23Å; T917-P953 HydrophobicContact CG2-CB 4.35Å
918	I	89.1	Confident	88	Confident	13 Å²	13	44 Å²	44	7%	0.067	22%	0.22	C	C	.	.			trans	-115.9	-11.7	179.5	52.9	166.1	0	0	0	114.5	L890 F916 P920 F921 L932 L935 A954 L958	L890-I918 HydrophobicContact CD1-CG2 4.23Å; F916-I918 HydrophobicContact CE1-CG2 3.55Å; F916-I918 HydrophobicContact CE2-CG2 4.12Å; F916-I918 HydrophobicContact CZ-CG2 3.32Å; I918-P920 CarbonylContact O-C 3.6Å; I918-P920 VanDerWaalsContact O-O 3.1Å; I918-F921 HydrophobicContact CB-CB 4.46Å; I918-F921 HydrophobicContact CB-CD2 3.92Å; I918-F921 HydrophobicContact CD1-CB 4.47Å; I918-F921 HydrophobicContact CD1-CD2 4.44Å; I918-F921 HydrophobicContact CD1-CG 4.45Å; I918-F921 HydrophobicContact CG2-CD2 4.31Å; I918-F921 PolarHBondContact O-N 3.32Å; I918-L932 HydrophobicContact CD1-CD2 3.77Å; I918-L935 HydrophobicContact CD1-CD2 3.99Å; I918-A954 VanDerWaalsContact CD1-O 3.29Å; I918-A954 WeakPolarHBondContact CD1-O 3.32Å; I918-A954 HydrophobicContact CG1-CB 4.18Å; I918-A954 WeakPolarHBondContact CG1-O 3.44Å; I918-A954 HydrophobicContact CG2-CB 4.44Å; I918-L958 HydrophobicContact CD1-CD1 3.98Å; I918-L958 HydrophobicContact CD1-CD2 4.13Å; I918-L958 HydrophobicContact CD1-CG 4.46Å; I918-L958 HydrophobicContact CG1-CD1 4.02Å
919	E	84.9	Confident	88	Confident	40 Å²	40	41 Å²	41	19%	0.187	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-68.3	127.2	-174.3	171.2	51.2	-147.9	0	0	114.2	R887 K959 K960	R887-E919 PolarHBondContact NH1-O 3.12Å; R887-E919 PolarHBondContact NH2-O 3.27Å; E919-K959 HydrophobicContact CG-CB 4.47Å; E919-K959 WeakPolarHBondContact OE2-CA 3.39Å; E919-K959 PolarHBondContact OE2-N 3.13Å; E919-K960 PolarHBondContact OE2-N 2.8Å
920	P	84.4	Confident	87.9	Confident	58 Å²	58	44.2 Å²	44.2	38%	0.377	22%	0.219	S	C	.	.	S	Bend	cis	-80.7	142	-10.5	33.8	-35.4	0	0	0	111.4	I918 K960	I918-P920 CarbonylContact O-C 3.6Å; I918-P920 VanDerWaalsContact O-O 3.1Å; P920-K960 HydrophobicContact CB-CB 3.91Å; P920-K960 HydrophobicContact CB-CG 4.49Å
921	F	89.4	Confident	87.9	Confident	24 Å²	24	40 Å²	40	11%	0.105	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	138.2	-176.7	-168	-102.8	0	0	0	111.8	L890 I918 A923 D928 L932 L958 K960 L961 E962	L890-F921 HydrophobicContact CB-CE2 4.25Å; L890-F921 HydrophobicContact CD2-CE2 4.15Å; L890-F921 HydrophobicContact CD2-CZ 3.98Å; I918-F921 HydrophobicContact CB-CB 4.46Å; I918-F921 HydrophobicContact CB-CD2 3.92Å; I918-F921 HydrophobicContact CD1-CB 4.47Å; I918-F921 HydrophobicContact CD1-CD2 4.44Å; I918-F921 HydrophobicContact CD1-CG 4.45Å; I918-F921 HydrophobicContact CG2-CD2 4.31Å; I918-F921 PolarHBondContact O-N 3.32Å; F921-A923 HydrophobicContact CE1-CB 4.04Å; F921-D928 HydrophobicContact CE1-CB 4.26Å; F921-D928 HydrophobicContact CZ-CB 4.07Å; F921-L932 HydrophobicContact CD1-CD1 3.9Å; F921-L932 HydrophobicContact CD1-CD2 4.34Å; F921-L932 HydrophobicContact CD1-CG 4.4Å; F921-L932 HydrophobicContact CE1-CD1 3.51Å; F921-L932 HydrophobicContact CE1-CD2 4.13Å; F921-L932 HydrophobicContact CE1-CG 3.81Å; F921-L932 HydrophobicContact CZ-CD1 4.33Å; F921-L932 HydrophobicContact CZ-CD2 4.36Å; F921-L932 HydrophobicContact CZ-CG 4.14Å; F921-L958 HydrophobicContact CB-CD1 3.81Å; F921-K960 PolarHBondContact N-O 3.15Å; F921-L961 WeakPolarHBondContact O-CA 3.5Å; F921-E962 PolarHBondContact O-N 3.43Å
922	K	88.4	Confident	88	Confident	92 Å²	92	39 Å²	39	40%	0.4	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	106	172.4	-174.7	177.9	-160.7	95.8	0	110.2	K924 E962	K922-K924 HydrophobicContact CD-CG 4.48Å; K922-K924 HydrophobicContact CG-CG 4.23Å; K922-E962 CarbonylContact C-O 3.57Å; K922-E962 WeakPolarHBondContact CA-O 3.44Å; K922-E962 HydrophobicContact CB-CB 3.93Å; K922-E962 HydrophobicContact CD-CB 4.42Å; K922-E962 WeakPolarHBondContact CD-OE2 3.13Å; K922-E962 WeakPolarHBondContact CE-OE2 3.17Å; K922-E962 HydrophobicContact CG-CB 3.71Å; K922-E962 WeakPolarHBondContact CG-OE2 3.43Å; K922-E962 IonicContact NZ-OE2 2.67Å; K922-E962 PolarHBondContact NZ-OE2 3.1Å
923	A	88.3	Confident	87.9	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	128.7	170.2	0	0	0	0	0	109.5	F921 D928 V929 E962 F963 A964 L965	F921-A923 HydrophobicContact CE1-CB 4.04Å; A923-D928 HydrophobicContact CB-CB 3.93Å; A923-V929 HydrophobicContact CB-CG2 4.31Å; A923-E962 PolarHBondContact N-O 2.76Å; A923-F963 HydrophobicContact CB-CD2 4.3Å; A923-A964 PolarHBondContact O-N 3.14Å; A923-L965 HydrophobicContact CB-CD1 3.88Å; A923-L965 WeakPolarHBondContact O-CD1 3.42Å
924	K	84.1	Confident	87.8	Confident	146 Å²	146	42.5 Å²	42.5	64%	0.635	21%	0.212	S	C	*	.			trans	-122.6	-12.5	179.3	-62.6	177.3	-176.7	174.6	0	112.7	K922 D928	K922-K924 HydrophobicContact CD-CG 4.48Å; K922-K924 HydrophobicContact CG-CG 4.23Å; K924-D928 PolarHBondContact N-OD2 3.32Å
925	S	84	Confident	87.8	Confident	44 Å²	44	38.4 Å²	38.4	31%	0.308	19%	0.192	S	C	.	.	S	Bend	trans	-139.2	160.3	-173.7	71.7	0	0	0	0	111.6	K927 D928 L965	S925-K927 PolarHBondContact O-N 2.78Å; S925-K927 PolarHBondContact OG-N 2.87Å; S925-D928 WeakPolarHBondContact CB-OD2 3.44Å; S925-D928 PolarHBondContact N-OD2 3.08Å; S925-D928 PolarHBondContact O-N 3.26Å; S925-D928 PolarHBondContact OG-N 2.77Å; S925-D928 PolarHBondContact OG-OD2 3.47Å; S925-L965 WeakPolarHBondContact O-CD2 3.26Å
926	L	85.4	Confident	87.6	Confident	57 Å²	57	36.9 Å²	36.9	30%	0.298	19%	0.186	S	C	.	.	H	α-helix	trans	-54.5	-35	170.5	-66.5	173.4	0	0	0	111.9	V929 E930 L965 S969 Q972 A973	L926-V929 PolarHBondContact O-N 3.44Å; L926-E930 PolarHBondContact O-N 2.85Å; L926-L965 HydrophobicContact CD2-CD2 4.23Å; L926-S969 WeakPolarHBondContact CD2-O 3.5Å; L926-Q972 HydrophobicContact CD2-CB 4.36Å; L926-A973 HydrophobicContact CD2-CB 3.6Å
927	K	82.9	Confident	87.3	Confident	54 Å²	54	43 Å²	43	24%	0.235	22%	0.215	C	C	.	.	H	α-helix	trans	-67.9	-38.8	-176.7	-171.4	179.9	-176.5	-178	0	112.7	A389 S925 V929 E930 D931	A389-K927 PolarHBondContact O-NZ 3.18Å; S925-K927 PolarHBondContact O-N 2.78Å; S925-K927 PolarHBondContact OG-N 2.87Å; K927-V929 PolarHBondContact O-N 3.32Å; K927-E930 PolarHBondContact O-N 3.49Å; K927-E930 VanDerWaalsContact O-N 3.08Å; K927-D931 PolarHBondContact O-N 2.93Å
928	D	86.4	Confident	86.8	Confident	33 Å²	33	44.4 Å²	44.4	18%	0.176	22%	0.223	C	C	.	.	H	α-helix	trans	-56.9	-38.2	175.5	-60.1	-52.3	0	0	0	111.6	F921 A923 K924 S925 L932	F921-D928 HydrophobicContact CE1-CB 4.26Å; F921-D928 HydrophobicContact CZ-CB 4.07Å; A923-D928 HydrophobicContact CB-CB 3.93Å; K924-D928 PolarHBondContact N-OD2 3.32Å; S925-D928 WeakPolarHBondContact CB-OD2 3.44Å; S925-D928 PolarHBondContact N-OD2 3.08Å; S925-D928 PolarHBondContact O-N 3.26Å; S925-D928 PolarHBondContact OG-N 2.77Å; S925-D928 PolarHBondContact OG-OD2 3.47Å; D928-L932 WeakPolarHBondContact O-CB 3.26Å; D928-L932 VanDerWaalsContact O-CG 3.28Å; D928-L932 WeakPolarHBondContact O-CG 3.47Å; D928-L932 PolarHBondContact O-N 2.97Å
929	V	88.7	Confident	86.6	Confident	2 Å²	2	45 Å²	45	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-74.4	-33.7	179	-173.5	0	0	0	0	111.5	A923 L926 K927 G933 F963 L965 A973 K976 L977	A923-V929 HydrophobicContact CB-CG2 4.31Å; L926-V929 PolarHBondContact O-N 3.44Å; K927-V929 PolarHBondContact O-N 3.32Å; V929-G933 PolarHBondContact O-N 3.37Å; V929-F963 HydrophobicContact CG2-CD2 4.49Å; V929-F963 HydrophobicContact CG2-CE2 3.98Å; V929-L965 HydrophobicContact CG2-CD2 4.11Å; V929-A973 HydrophobicContact CB-CB 4.4Å; V929-A973 HydrophobicContact CG1-CB 4.49Å; V929-A973 HydrophobicContact CG2-CB 4.01Å; V929-K976 HydrophobicContact CG1-CB 3.88Å; V929-L977 HydrophobicContact CG1-CB 3.89Å
930	E	88.3	Confident	86.6	Confident	94 Å²	94	49.2 Å²	49.2	44%	0.439	24%	0.24	S	C	.	.	H	α-helix	trans	-73.4	-40.1	175.8	-70.6	177.9	166.3	0	0	112.1	L926 K927 G933 K934 K976	L926-E930 PolarHBondContact O-N 2.85Å; K927-E930 PolarHBondContact O-N 3.49Å; K927-E930 VanDerWaalsContact O-N 3.08Å; E930-G933 CarbonylContact O-C 3.22Å; E930-G933 VanDerWaalsContact O-CA 3.3Å; E930-G933 WeakPolarHBondContact O-CA 3.45Å; E930-G933 PolarHBondContact O-N 3.11Å; E930-K934 PolarHBondContact O-N 3.09Å; E930-K976 HydrophobicContact CG-CD 4.34Å; E930-K976 IonicContact OE1-NZ 3.53Å; E930-K976 PolarHBondContact OE1-NZ 2.78Å
931	D	87.3	Confident	86.3	Confident	9 Å²	9	50.1 Å²	50.1	5%	0.048	24%	0.244	C	C	.	.	H	α-helix	trans	-73.3	-30.1	175.2	-69.9	-36.2	0	0	0	112	L890 S891 K927 G933 K934 L935	L890-D931 HydrophobicContact CD2-CB 4Å; L890-D931 HydrophobicContact CG-CB 3.92Å; S891-D931 WeakPolarHBondContact CA-OD2 3.49Å; S891-D931 WeakPolarHBondContact CB-OD2 3.45Å; K927-D931 PolarHBondContact O-N 2.93Å; D931-G933 VanDerWaalsContact C-N 3.29Å; D931-K934 PolarHBondContact O-N 2.99Å; D931-K934 WeakPolarHBondContact OD1-CD 3.29Å; D931-K934 IonicContact OD1-NZ 3.99Å; D931-L935 PolarHBondContact O-N 2.93Å
932	L	90.1	Very high	85.5	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.7	-37.6	163	-79.9	177.3	0	0	0	111.2	L890 I918 F921 D928 L935 V936 L961 L977 I980 F984	L890-L932 HydrophobicContact CD2-CB 4.3Å; L890-L932 HydrophobicContact CD2-CD2 3.72Å; L890-L932 HydrophobicContact CD2-CG 3.75Å; I918-L932 HydrophobicContact CD1-CD2 3.77Å; F921-L932 HydrophobicContact CD1-CD1 3.9Å; F921-L932 HydrophobicContact CD1-CD2 4.34Å; F921-L932 HydrophobicContact CD1-CG 4.4Å; F921-L932 HydrophobicContact CE1-CD1 3.51Å; F921-L932 HydrophobicContact CE1-CD2 4.13Å; F921-L932 HydrophobicContact CE1-CG 3.81Å; F921-L932 HydrophobicContact CZ-CD1 4.33Å; F921-L932 HydrophobicContact CZ-CD2 4.36Å; F921-L932 HydrophobicContact CZ-CG 4.14Å; D928-L932 WeakPolarHBondContact O-CB 3.26Å; D928-L932 VanDerWaalsContact O-CG 3.28Å; D928-L932 WeakPolarHBondContact O-CG 3.47Å; D928-L932 PolarHBondContact O-N 2.97Å; L932-L935 HydrophobicContact CD2-CD2 4.23Å; L932-L935 PolarHBondContact O-N 3.28Å; L932-V936 WeakPolarHBondContact O-CG2 3.31Å; L932-V936 PolarHBondContact O-N 2.94Å; L932-L961 HydrophobicContact CD1-CD1 4.18Å; L932-L977 HydrophobicContact CD1-CD1 4.43Å; L932-I980 HydrophobicContact CB-CD1 3.62Å; L932-F984 HydrophobicContact CD2-CZ 4.1Å
933	G	88.9	Confident	84.3	Confident	21 Å²	21	50.5 Å²	50.5	22%	0.216	26%	0.255	C	S	.	.	H	α-helix	trans	-60.4	-44.7	173.1	0	0	0	0	0	112.4	V929 E930 D931 V936 Q937	V929-G933 PolarHBondContact O-N 3.37Å; E930-G933 CarbonylContact O-C 3.22Å; E930-G933 VanDerWaalsContact O-CA 3.3Å; E930-G933 WeakPolarHBondContact O-CA 3.45Å; E930-G933 PolarHBondContact O-N 3.11Å; D931-G933 VanDerWaalsContact C-N 3.29Å; G933-V936 PolarHBondContact O-N 3.31Å; G933-Q937 WeakPolarHBondContact O-CB 3.39Å; G933-Q937 PolarHBondContact O-N 3.08Å
934	K	87.3	Confident	83	Confident	78 Å²	78	55 Å²	55	34%	0.339	29%	0.287	S	S	.	.	H	α-helix	trans	-61.9	-46.8	172.7	-69.8	-178.3	177.6	-174.3	0	112.1	V894 E898 E930 D931 V936 Q937 T938	V894-K934 HydrophobicContact CG1-CD 3.48Å; V894-K934 VanDerWaalsContact CG1-CD 3.48Å; E898-K934 IonicContact OE1-NZ 2.76Å; E898-K934 PolarHBondContact OE1-NZ 3.07Å; E930-K934 PolarHBondContact O-N 3.09Å; D931-K934 PolarHBondContact O-N 2.99Å; D931-K934 WeakPolarHBondContact OD1-CD 3.29Å; D931-K934 IonicContact OD1-NZ 3.99Å; K934-V936 VanDerWaalsContact C-N 3.31Å; K934-V936 PolarHBondContact O-N 3.1Å; K934-Q937 CarbonylContact O-C 3.6Å; K934-Q937 WeakPolarHBondContact O-CA 3.33Å; K934-Q937 WeakPolarHBondContact O-CB 3.49Å; K934-Q937 PolarHBondContact O-N 2.89Å; K934-T938 PolarHBondContact O-N 3.22Å; K934-T938 PolarHBondContact O-OG1 3.25Å
935	L	88.9	Confident	81.6	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-53.5	-47.4	176.8	173.6	65.6	0	0	0	111.9	L890 W897 I918 D931 L932 Q937 T938 Q939 L952 A954 V955	L890-L935 HydrophobicContact CD1-CD2 4.3Å; W897-L935 HydrophobicContact CH2-CD1 3.58Å; W897-L935 HydrophobicContact CZ3-CD1 3.77Å; I918-L935 HydrophobicContact CD1-CD2 3.99Å; D931-L935 PolarHBondContact O-N 2.93Å; L932-L935 HydrophobicContact CD2-CD2 4.23Å; L932-L935 PolarHBondContact O-N 3.28Å; L935-Q937 VanDerWaalsContact C-N 3.33Å; L935-T938 PolarHBondContact O-N 3.36Å; L935-Q939 PolarHBondContact O-N 2.93Å; L935-Q939 VanDerWaalsContact O-N 3.08Å; L935-L952 HydrophobicContact CD1-CD1 3.95Å; L935-A954 HydrophobicContact CD1-CB 4.1Å; L935-A954 HydrophobicContact CD2-CB 4.05Å; L935-V955 HydrophobicContact CD1-CG2 4.22Å; L935-V955 HydrophobicContact CD2-CG2 4.12Å; L935-V955 HydrophobicContact CG-CG2 3.84Å
936	V	88.3	Confident	79.9	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.006	31%	0.307	C	S	.	.	H	α-helix	trans	-70	-28.9	177.1	171.3	0	0	0	0	112	L932 G933 K934 R940 I980 A983 F984	L932-V936 WeakPolarHBondContact O-CG2 3.31Å; L932-V936 PolarHBondContact O-N 2.94Å; G933-V936 PolarHBondContact O-N 3.31Å; K934-V936 VanDerWaalsContact C-N 3.31Å; K934-V936 PolarHBondContact O-N 3.1Å; V936-R940 VanDerWaalsContact CG1-CZ 3.5Å; V936-R940 WeakPolarHBondContact O-CD 3.36Å; V936-R940 VanDerWaalsContact O-CG 3.24Å; V936-R940 WeakPolarHBondContact O-CG 3.42Å; V936-R940 PolarHBondContact O-N 3.22Å; V936-R940 VanDerWaalsContact O-N 3.1Å; V936-I980 HydrophobicContact CB-CB 4.43Å; V936-I980 HydrophobicContact CB-CG2 4.41Å; V936-I980 HydrophobicContact CG1-CB 4.36Å; V936-I980 HydrophobicContact CG1-CG2 4.28Å; V936-I980 HydrophobicContact CG2-CB 4.28Å; V936-A983 HydrophobicContact CB-CB 4.4Å; V936-A983 HydrophobicContact CG1-CB 3.64Å; V936-A983 HydrophobicContact CG2-CB 3.8Å; V936-F984 HydrophobicContact CG2-CE1 4.24Å; V936-F984 HydrophobicContact CG2-CE2 4.08Å; V936-F984 HydrophobicContact CG2-CZ 3.62Å
937	Q	86.3	Confident	78.1	Confident	129 Å²	129	61.9 Å²	61.9	60%	0.603	33%	0.325	S	S	*	.	H	α-helix	trans	-68.9	-43.5	171	-175.6	171.7	-17.8	0	0	112	G933 K934 L935 Q939 R940 T941	G933-Q937 WeakPolarHBondContact O-CB 3.39Å; G933-Q937 PolarHBondContact O-N 3.08Å; K934-Q937 CarbonylContact O-C 3.6Å; K934-Q937 WeakPolarHBondContact O-CA 3.33Å; K934-Q937 WeakPolarHBondContact O-CB 3.49Å; K934-Q937 PolarHBondContact O-N 2.89Å; L935-Q937 VanDerWaalsContact C-N 3.33Å; Q937-Q939 VanDerWaalsContact C-N 3.35Å; Q937-Q939 PolarHBondContact O-N 3.48Å; Q937-R940 PolarHBondContact O-N 2.88Å; Q937-R940 VanDerWaalsContact O-N 3.11Å; Q937-T941 PolarHBondContact O-N 3.2Å; Q937-T941 PolarHBondContact O-OG1 3.02Å
938	T	82.3	Confident	76.3	Confident	38 Å²	38	66.6 Å²	66.6	23%	0.233	36%	0.359	C	S	.	.	H	α-helix	trans	-58.9	-45	175.2	-55.7	0	0	0	0	111.1	K934 L935 R940 T941 R942 L952	K934-T938 PolarHBondContact O-N 3.22Å; K934-T938 PolarHBondContact O-OG1 3.25Å; L935-T938 PolarHBondContact O-N 3.36Å; T938-R940 PolarHBondContact O-N 3.22Å; T938-T941 WeakPolarHBondContact CA-OG1 3.07Å; T938-T941 PolarHBondContact O-N 3.43Å; T938-T941 PolarHBondContact O-OG1 3.02Å; T938-R942 WeakPolarHBondContact O-CB 3.31Å; T938-R942 PolarHBondContact O-N 2.86Å; T938-L952 HydrophobicContact CG2-CD1 4.39Å
939	Q	83.8	Confident	74.8	Confident	26 Å²	26	66.7 Å²	66.7	12%	0.121	36%	0.364	C	S	.	.	H	α-helix	trans	-56	-48.2	172	176.5	57.1	48.2	0	0	111.7	L935 Q937 T941 R942 S943 L952 V955	L935-Q939 PolarHBondContact O-N 2.93Å; L935-Q939 VanDerWaalsContact O-N 3.08Å; Q937-Q939 VanDerWaalsContact C-N 3.35Å; Q937-Q939 PolarHBondContact O-N 3.48Å; Q939-T941 PolarHBondContact O-N 2.69Å; Q939-R942 PolarHBondContact O-N 3.39Å; Q939-S943 PolarHBondContact O-N 3.21Å; Q939-S943 PolarHBondContact O-OG 2.7Å; Q939-S943 VanDerWaalsContact O-OG 3.14Å; Q939-L952 HydrophobicContact CB-CD1 4.2Å; Q939-V955 HydrophobicContact CB-CG2 4.4Å
940	R	84.3	Confident	73.8	Confident	127 Å²	127	69.3 Å²	69.3	48%	0.479	39%	0.391	S	S	.	.	H	α-helix	trans	-63	-40.4	-179.5	-74.2	166.9	-179.1	166.6	2.2	112.4	V936 Q937 T938 S943 S944	V936-R940 VanDerWaalsContact CG1-CZ 3.5Å; V936-R940 WeakPolarHBondContact O-CD 3.36Å; V936-R940 VanDerWaalsContact O-CG 3.24Å; V936-R940 WeakPolarHBondContact O-CG 3.42Å; V936-R940 PolarHBondContact O-N 3.22Å; V936-R940 VanDerWaalsContact O-N 3.1Å; Q937-R940 PolarHBondContact O-N 2.88Å; Q937-R940 VanDerWaalsContact O-N 3.11Å; T938-R940 PolarHBondContact O-N 3.22Å; R940-S943 WeakPolarHBondContact CA-OG 3.44Å; R940-S943 PolarHBondContact O-OG 3.45Å; R940-S944 PolarHBondContact O-N 2.87Å
941	T	79.6	Confident	73.4	Confident	78 Å²	78	69.3 Å²	69.3	48%	0.479	39%	0.391	S	S	.	.	H	α-helix	trans	-66.6	-42.2	173.9	44.2	0	0	0	0	112	Q937 T938 Q939 S943 S944 S945	Q937-T941 PolarHBondContact O-N 3.2Å; Q937-T941 PolarHBondContact O-OG1 3.02Å; T938-T941 WeakPolarHBondContact CA-OG1 3.07Å; T938-T941 PolarHBondContact O-N 3.43Å; T938-T941 PolarHBondContact O-OG1 3.02Å; Q939-T941 PolarHBondContact O-N 2.69Å; T941-S943 VanDerWaalsContact C-N 3.29Å; T941-S943 PolarHBondContact O-N 3.4Å; T941-S944 PolarHBondContact O-N 3.38Å; T941-S944 PolarHBondContact O-OG 2.91Å; T941-S945 PolarHBondContact O-N 3.07Å
942	R	72.4	Confident	73.4	Confident	41 Å²	41	69 Å²	69	16%	0.155	39%	0.39	C	S	.	.	H	α-helix	trans	-65	-31.9	178.6	-169.7	165.5	177.7	-175.7	-9.6	112.5	E913 E914 T938 Q939 S944 S945 A949	E913-R942 WeakPolarHBondContact OE2-CD 3.48Å; E913-R942 IonicContact OE2-CZ 3.72Å; E913-R942 IonicContact OE2-NE 3.26Å; E913-R942 IonicContact OE2-NH1 2.74Å; E913-R942 PolarHBondContact OE2-NH1 3.34Å; E914-R942 IonicContact OE1-CZ 2.84Å; E914-R942 IonicContact OE1-NH1 2.61Å; E914-R942 IonicContact OE1-NH2 3.57Å; E914-R942 PolarHBondContact OE1-NH2 3.31Å; T938-R942 WeakPolarHBondContact O-CB 3.31Å; T938-R942 PolarHBondContact O-N 2.86Å; Q939-R942 PolarHBondContact O-N 3.39Å; R942-S944 VanDerWaalsContact C-N 3.27Å; R942-S944 PolarHBondContact O-N 2.88Å; R942-S945 PolarHBondContact O-OG 2.99Å; R942-A949 HydrophobicContact CG-CB 3.93Å; R942-A949 VanDerWaalsContact NE-CB 3.25Å
943	S	63.5	Low	73.3	Confident	82 Å²	82	70 Å²	70	57%	0.573	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-0.3	170.8	59.6	0	0	0	0	115.4	Q939 R940 T941	Q939-S943 PolarHBondContact O-N 3.21Å; Q939-S943 PolarHBondContact O-OG 2.7Å; Q939-S943 VanDerWaalsContact O-OG 3.14Å; R940-S943 WeakPolarHBondContact CA-OG 3.44Å; R940-S943 PolarHBondContact O-OG 3.45Å; T941-S943 VanDerWaalsContact C-N 3.29Å; T941-S943 PolarHBondContact O-N 3.4Å
944	S	59.5	Low	73.3	Confident	96 Å²	96	69 Å²	69	67%	0.671	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-18.4	178.4	72.2	0	0	0	0	114	R940 T941 R942	R940-S944 PolarHBondContact O-N 2.87Å; T941-S944 PolarHBondContact O-N 3.38Å; T941-S944 PolarHBondContact O-OG 2.91Å; R942-S944 VanDerWaalsContact C-N 3.27Å; R942-S944 PolarHBondContact O-N 2.88Å
945	S	56.4	Low	73.4	Confident	56 Å²	56	65.5 Å²	65.5	39%	0.392	37%	0.371	S	S	.	.	S	Bend	trans	-74.7	142.7	160.8	37.6	0	0	0	0	110.7	T941 R942 D947	T941-S945 PolarHBondContact O-N 3.07Å; R942-S945 PolarHBondContact O-OG 2.99Å; S945-D947 PolarHBondContact O-N 3.25Å; S945-D947 VanDerWaalsContact O-N 3.09Å
946	E	47.8	Very low	73.4	Confident	206 Å²	206	70.5 Å²	70.5	96%	0.963	39%	0.39	S	S	*	.	S	Bend	trans	-72.3	3.3	-177	-59.1	-174.4	135	0	0	114.7
947	D	46.4	Very low	73.4	Confident	129 Å²	129	72.9 Å²	72.9	69%	0.69	40%	0.403	S	S	*	.	S	Bend	trans	-69	145.1	177.3	-83.2	-49.8	0	0	0	112.4	S945 A949	S945-D947 PolarHBondContact O-N 3.25Å; S945-D947 VanDerWaalsContact O-N 3.09Å; D947-A949 PolarHBondContact O-N 2.89Å
948	T	46.5	Very low	73.7	Confident	152 Å²	152	66.8 Å²	66.8	93%	0.933	37%	0.374	S	S	*	.			trans	-76.3	39.7	-174.7	62.2	0	0	0	0	113.9
949	A	54.7	Low	74.2	Confident	36 Å²	36	69.3 Å²	69.3	30%	0.298	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-77.1	124.4	-179.8	0	0	0	0	0	111.7	R942 D947	R942-A949 HydrophobicContact CG-CB 3.93Å; R942-A949 VanDerWaalsContact NE-CB 3.25Å; D947-A949 PolarHBondContact O-N 2.89Å
950	G	67.3	Low	74.7	Confident	56 Å²	56	70.5 Å²	70.5	58%	0.577	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-69.9	170.8	169	0	0	0	0	0	112.8
951	E	80	Confident	75.2	Confident	95 Å²	95	64.5 Å²	64.5	44%	0.444	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-58.8	136.3	174.7	-63.7	176.3	169	0	0	111.8	R956	E951-R956 HydrophobicContact CB-CB 3.98Å; E951-R956 HydrophobicContact CB-CG 4.39Å
952	L	86.6	Confident	75.8	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.01	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-52.4	128.6	174.5	-71.5	177.2	0	0	0	109.9	E913 L935 T938 Q939 A954 V955 R956	E913-L952 HydrophobicContact CB-CD2 3.67Å; E913-L952 HydrophobicContact CG-CD2 4.11Å; L935-L952 HydrophobicContact CD1-CD1 3.95Å; T938-L952 HydrophobicContact CG2-CD1 4.39Å; Q939-L952 HydrophobicContact CB-CD1 4.2Å; L952-A954 PolarHBondContact O-N 2.94Å; L952-A954 VanDerWaalsContact O-N 3.14Å; L952-V955 HydrophobicContact CB-CG2 4.23Å; L952-V955 WeakPolarHBondContact O-CA 3.49Å; L952-V955 PolarHBondContact O-N 2.86Å; L952-R956 PolarHBondContact O-N 3.17Å
953	P	88.2	Confident	76.6	Confident	21 Å²	21	60.6 Å²	60.6	14%	0.136	34%	0.342	C	S	.	.	H	α-helix	trans	-57.5	-31.8	-180	-29	37.9	0	0	0	113.6	T917 V955 D957	T917-P953 HydrophobicContact CG2-CB 4.35Å; P953-V955 PolarHBondContact O-N 2.62Å; P953-D957 WeakPolarHBondContact O-CA 3.49Å; P953-D957 VanDerWaalsContact O-CB 3.23Å; P953-D957 WeakPolarHBondContact O-CB 3.33Å; P953-D957 PolarHBondContact O-N 3.19Å
954	A	88.8	Confident	77.8	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.008	32%	0.324	C	S	.	.	H	α-helix	trans	-62.8	-23.6	172.6	0	0	0	0	0	114.5	F916 I918 L935 L952	F916-A954 HydrophobicContact CD1-CB 3.51Å; F916-A954 HydrophobicContact CE1-CB 3.9Å; F916-A954 HydrophobicContact CG-CB 4.33Å; F916-A954 PolarHBondContact O-N 3.3Å; I918-A954 VanDerWaalsContact CD1-O 3.29Å; I918-A954 WeakPolarHBondContact CD1-O 3.32Å; I918-A954 HydrophobicContact CG1-CB 4.18Å; I918-A954 WeakPolarHBondContact CG1-O 3.44Å; I918-A954 HydrophobicContact CG2-CB 4.44Å; L935-A954 HydrophobicContact CD1-CB 4.1Å; L935-A954 HydrophobicContact CD2-CB 4.05Å; L952-A954 PolarHBondContact O-N 2.94Å; L952-A954 VanDerWaalsContact O-N 3.14Å
955	V	89.4	Confident	79	Confident	4 Å²	4	54 Å²	54	2%	0.024	30%	0.296	C	S	.	.	H	α-helix	trans	-94.4	-47.9	173.8	-179	0	0	0	0	110.6	L935 Q939 L952 P953 A983 F984	L935-V955 HydrophobicContact CD1-CG2 4.22Å; L935-V955 HydrophobicContact CD2-CG2 4.12Å; L935-V955 HydrophobicContact CG-CG2 3.84Å; Q939-V955 HydrophobicContact CB-CG2 4.4Å; L952-V955 HydrophobicContact CB-CG2 4.23Å; L952-V955 WeakPolarHBondContact O-CA 3.49Å; L952-V955 PolarHBondContact O-N 2.86Å; P953-V955 PolarHBondContact O-N 2.62Å; V955-A983 HydrophobicContact CG1-CB 4.31Å; V955-A983 VanDerWaalsContact CG1-O 3.31Å; V955-A983 WeakPolarHBondContact CG1-O 3.44Å; V955-F984 HydrophobicContact CB-CD1 4.46Å; V955-F984 HydrophobicContact CB-CE1 4.34Å; V955-F984 HydrophobicContact CG1-CD1 3.95Å; V955-F984 HydrophobicContact CG1-CE1 4.08Å; V955-F984 HydrophobicContact CG2-CE1 4.29Å
956	R	88.6	Confident	80.4	Confident	104 Å²	104	51.6 Å²	51.6	39%	0.392	28%	0.28	S	S	.	.	H	α-helix	trans	-68.2	-36.3	-175.8	-169.9	-163.8	68.7	-147.4	-9.6	113.7	E951 L952 S986	E951-R956 HydrophobicContact CB-CB 3.98Å; E951-R956 HydrophobicContact CB-CG 4.39Å; L952-R956 PolarHBondContact O-N 3.17Å; R956-S986 WeakPolarHBondContact O-CB 3.46Å; R956-S986 PolarHBondContact O-OG 2.93Å
957	D	89.3	Confident	82.1	Confident	52 Å²	52	44.6 Å²	44.6	28%	0.278	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	5.7	-172.1	-56.3	-18.9	0	0	0	113	P953 K959	P953-D957 WeakPolarHBondContact O-CA 3.49Å; P953-D957 VanDerWaalsContact O-CB 3.23Å; P953-D957 WeakPolarHBondContact O-CB 3.33Å; P953-D957 PolarHBondContact O-N 3.19Å; D957-K959 PolarHBondContact O-N 3.01Å
958	L	92.4	Very high	83.9	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	25%	0.251	C	S	.	.			trans	-72.7	123.4	174.4	-176.5	71.1	0	0	0	110.6	I918 F921 K960 L961 F984 S986 L987	I918-L958 HydrophobicContact CD1-CD1 3.98Å; I918-L958 HydrophobicContact CD1-CD2 4.13Å; I918-L958 HydrophobicContact CD1-CG 4.46Å; I918-L958 HydrophobicContact CG1-CD1 4.02Å; F921-L958 HydrophobicContact CB-CD1 3.81Å; L958-K960 WeakPolarHBondContact CD1-O 3.39Å; L958-L961 HydrophobicContact CD2-CB 4.48Å; L958-L961 HydrophobicContact CD2-CD1 4.21Å; L958-F984 HydrophobicContact CB-CD1 4.05Å; L958-F984 HydrophobicContact CD2-CB 4.28Å; L958-F984 HydrophobicContact CD2-CD1 3.46Å; L958-F984 VanDerWaalsContact CD2-CD1 3.46Å; L958-F984 HydrophobicContact CD2-CD2 4.24Å; L958-F984 HydrophobicContact CD2-CE1 3.75Å; L958-F984 HydrophobicContact CD2-CE2 4.5Å; L958-F984 HydrophobicContact CD2-CG 3.73Å; L958-F984 HydrophobicContact CD2-CZ 4.28Å; L958-F984 HydrophobicContact CG-CD1 4.37Å; L958-S986 CarbonylContact O-C 3.51Å; L958-S986 VanDerWaalsContact O-C 3.26Å; L958-L987 HydrophobicContact CD2-CD1 4.42Å; L958-L987 HydrophobicContact CG-CD1 4.35Å; L958-L987 PolarHBondContact O-N 3.49Å
959	K	93.8	Very high	85.8	Confident	90 Å²	90	38.1 Å²	38.1	39%	0.391	22%	0.218	S	C	.	.			trans	-122.8	-36.9	-176	-69.9	162.2	161.1	-83.6	0	112.6	E919 D957 Q988 H989	E919-K959 HydrophobicContact CG-CB 4.47Å; E919-K959 WeakPolarHBondContact OE2-CA 3.39Å; E919-K959 PolarHBondContact OE2-N 3.13Å; D957-K959 PolarHBondContact O-N 3.01Å; K959-Q988 PolarHBondContact O-N 2.92Å; K959-H989 PolarHBondContact O-N 3.25Å
960	K	93.4	Very high	87.3	Confident	52 Å²	52	36.4 Å²	36.4	23%	0.226	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123.8	172.2	-174	171.4	-161	-154.6	0	111.7	E919 P920 F921 L958 E962 H989 D991	E919-K960 PolarHBondContact OE2-N 2.8Å; P920-K960 HydrophobicContact CB-CB 3.91Å; P920-K960 HydrophobicContact CB-CG 4.49Å; F921-K960 PolarHBondContact N-O 3.15Å; L958-K960 WeakPolarHBondContact CD1-O 3.39Å; K960-E962 HydrophobicContact CD-CG 4.08Å; K960-E962 VanDerWaalsContact CE-CG 3.48Å; K960-E962 VanDerWaalsContact CE-OE1 3.32Å; K960-E962 WeakPolarHBondContact CE-OE1 3.42Å; K960-E962 HydrophobicContact CG-CG 4.2Å; K960-E962 IonicContact NZ-OE1 2.99Å; K960-E962 PolarHBondContact NZ-OE1 3.07Å; K960-H989 WeakPolarHBondContact CA-O 3.29Å; K960-H989 HydrophobicContact CB-CB 4.22Å; K960-H989 HydrophobicContact CD-CB 4.48Å; K960-H989 HydrophobicContact CG-CB 3.99Å; K960-D991 WeakPolarHBondContact CE-OD2 3.31Å; K960-D991 IonicContact NZ-OD2 2.89Å; K960-D991 PolarHBondContact NZ-OD2 3.32Å
961	L	94.2	Very high	88.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	117.5	168	-169.8	156.4	0	0	0	109.6	F921 L932 L958 F963 L977 L981 L987 H989 L990 D991	F921-L961 WeakPolarHBondContact O-CA 3.5Å; L932-L961 HydrophobicContact CD1-CD1 4.18Å; L958-L961 HydrophobicContact CD2-CB 4.48Å; L958-L961 HydrophobicContact CD2-CD1 4.21Å; L961-F963 HydrophobicContact CD2-CB 4.43Å; L961-L977 HydrophobicContact CD1-CD1 3.94Å; L961-L977 HydrophobicContact CD2-CD1 4.41Å; L961-L977 HydrophobicContact CD2-CD2 4.03Å; L961-L981 HydrophobicContact CD1-CD2 4.27Å; L961-L987 HydrophobicContact CB-CD1 3.77Å; L961-H989 PolarHBondContact N-O 3.37Å; L961-L990 HydrophobicContact CB-CD1 4.4Å; L961-L990 HydrophobicContact CD2-CD1 3.89Å; L961-D991 PolarHBondContact O-N 2.6Å
962	E	91.9	Very high	88.6	Confident	36 Å²	36	37.6 Å²	37.6	17%	0.168	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	137.5	171.1	-62.6	173.6	-162.9	0	0	110.3	F921 K922 A923 K960 D991	F921-E962 PolarHBondContact O-N 3.43Å; K922-E962 CarbonylContact C-O 3.57Å; K922-E962 WeakPolarHBondContact CA-O 3.44Å; K922-E962 HydrophobicContact CB-CB 3.93Å; K922-E962 HydrophobicContact CD-CB 4.42Å; K922-E962 WeakPolarHBondContact CD-OE2 3.13Å; K922-E962 WeakPolarHBondContact CE-OE2 3.17Å; K922-E962 HydrophobicContact CG-CB 3.71Å; K922-E962 WeakPolarHBondContact CG-OE2 3.43Å; K922-E962 IonicContact NZ-OE2 2.67Å; K922-E962 PolarHBondContact NZ-OE2 3.1Å; A923-E962 PolarHBondContact N-O 2.76Å; K960-E962 HydrophobicContact CD-CG 4.08Å; K960-E962 VanDerWaalsContact CE-CG 3.48Å; K960-E962 VanDerWaalsContact CE-OE1 3.32Å; K960-E962 WeakPolarHBondContact CE-OE1 3.42Å; K960-E962 HydrophobicContact CG-CG 4.2Å; K960-E962 IonicContact NZ-OE1 2.99Å; K960-E962 PolarHBondContact NZ-OE1 3.07Å; E962-D991 CarbonylContact C-O 3.46Å; E962-D991 WeakPolarHBondContact CA-O 3.45Å; E962-D991 HydrophobicContact CB-CB 4.45Å; E962-D991 HydrophobicContact CG-CB 3.98Å
963	F	90.8	Very high	88.7	Confident	1 Å²	1	37.5 Å²	37.5	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	113.3	179.5	-176.5	-101.2	0	0	0	109.8	A923 V929 L961 L965 A973 F974 L977 D991 L992 N998 I1000	A923-F963 HydrophobicContact CB-CD2 4.3Å; V929-F963 HydrophobicContact CG2-CD2 4.49Å; V929-F963 HydrophobicContact CG2-CE2 3.98Å; L961-F963 HydrophobicContact CD2-CB 4.43Å; F963-L965 HydrophobicContact CD2-CD1 3.92Å; F963-L965 HydrophobicContact CE1-CB 4.42Å; F963-L965 HydrophobicContact CE2-CD1 3.87Å; F963-L965 HydrophobicContact CE2-CD2 3.83Å; F963-L965 HydrophobicContact CE2-CG 4.31Å; F963-L965 HydrophobicContact CG-CD1 4.47Å; F963-L965 HydrophobicContact CZ-CB 4.21Å; F963-L965 HydrophobicContact CZ-CD1 4.35Å; F963-L965 HydrophobicContact CZ-CD2 3.96Å; F963-L965 HydrophobicContact CZ-CG 4.42Å; F963-A973 HydrophobicContact CE2-CB 4.13Å; F963-A973 HydrophobicContact CZ-CB 4.06Å; F963-F974 HydrophobicContact CD1-CD2 4.32Å; F963-F974 HydrophobicContact CE1-CB 4.26Å; F963-F974 HydrophobicContact CE1-CD2 4.02Å; F963-F974 HydrophobicContact CZ-CB 3.97Å; F963-F974 HydrophobicContact CZ-CD2 4.15Å; F963-L977 HydrophobicContact CB-CD2 4.45Å; F963-L977 HydrophobicContact CD2-CD2 3.56Å; F963-L977 HydrophobicContact CE2-CD2 3.97Å; F963-L977 HydrophobicContact CG-CD2 4.17Å; F963-D991 PolarHBondContact N-O 3.35Å; F963-L992 HydrophobicContact CB-CD2 3.58Å; F963-L992 HydrophobicContact CD1-CD2 4.3Å; F963-L992 HydrophobicContact CG-CD2 4.19Å; F963-N998 HydrophobicContact CD1-CB 4.3Å; F963-N998 HydrophobicContact CE1-CB 4.26Å; F963-N998 PolarHBondContact O-ND2 2.88Å; F963-I1000 HydrophobicContact CD1-CD1 4.36Å; F963-I1000 HydrophobicContact CE1-CD1 4.34Å
964	A	87.9	Confident	88.9	Confident	22 Å²	22	36.6 Å²	36.6	18%	0.182	19%	0.193	C	C	.	.			trans	-138.8	66.2	-175.1	0	0	0	0	0	110.9	A923	A923-A964 PolarHBondContact O-N 3.14Å
965	L	85.5	Confident	89.1	Confident	19 Å²	19	38.8 Å²	38.8	10%	0.099	21%	0.207	C	C	.	.			trans	-101.1	-17.3	-178.4	-86.9	67.4	0	0	0	113.1	A923 S925 L926 V929 F963 A973 N998	A923-L965 HydrophobicContact CB-CD1 3.88Å; A923-L965 WeakPolarHBondContact O-CD1 3.42Å; S925-L965 WeakPolarHBondContact O-CD2 3.26Å; L926-L965 HydrophobicContact CD2-CD2 4.23Å; V929-L965 HydrophobicContact CG2-CD2 4.11Å; F963-L965 HydrophobicContact CD2-CD1 3.92Å; F963-L965 HydrophobicContact CE1-CB 4.42Å; F963-L965 HydrophobicContact CE2-CD1 3.87Å; F963-L965 HydrophobicContact CE2-CD2 3.83Å; F963-L965 HydrophobicContact CE2-CG 4.31Å; F963-L965 HydrophobicContact CG-CD1 4.47Å; F963-L965 HydrophobicContact CZ-CB 4.21Å; F963-L965 HydrophobicContact CZ-CD1 4.35Å; F963-L965 HydrophobicContact CZ-CD2 3.96Å; F963-L965 HydrophobicContact CZ-CG 4.42Å; L965-A973 HydrophobicContact CD2-CB 3.29Å; L965-N998 PolarHBondContact N-OD1 3.46Å
966	G	85.4	Confident	89.2	Confident	5 Å²	5	42.8 Å²	42.8	5%	0.052	22%	0.224	C	C	.	.	H	α-helix	trans	67.8	-172.8	174.9	0	0	0	0	0	116	V968 S969 G970 S996 E997 N998	G966-V968 VanDerWaalsContact C-N 3.29Å; G966-V968 PolarHBondContact O-N 3.19Å; G966-V968 VanDerWaalsContact O-N 3.13Å; G966-S969 PolarHBondContact O-N 3.42Å; G966-G970 WeakPolarHBondContact O-CA 3.42Å; G966-G970 PolarHBondContact O-N 2.91Å; G966-S996 WeakPolarHBondContact CA-O 3.36Å; G966-E997 CarbonylContact C-O 3.43Å; G966-E997 VanDerWaalsContact C-O 3.22Å; G966-E997 WeakPolarHBondContact CA-O 3.5Å; G966-N998 PolarHBondContact N-OD1 2.94Å
967	P	83.8	Confident	89.5	Confident	58 Å²	58	37.8 Å²	37.8	38%	0.377	21%	0.205	S	C	.	.	H	α-helix	trans	-73.3	-21.1	-152.1	26.8	-37.7	0	0	0	114	S996 E997 K999	P967-S996 WeakPolarHBondContact CD-O 3.44Å; P967-E997 WeakPolarHBondContact CA-O 3.42Å; P967-E997 HydrophobicContact CB-CB 4.49Å; P967-E997 WeakPolarHBondContact CB-O 3.32Å; P967-E997 VanDerWaalsContact CD-O 3.23Å; P967-E997 WeakPolarHBondContact CD-O 3.23Å; P967-K999 HydrophobicContact CB-CD 3.66Å; P967-K999 HydrophobicContact CB-CG 4.1Å
968	V	84	Confident	89.6	Confident	111 Å²	111	35.8 Å²	35.8	67%	0.673	20%	0.195	S	C	*	.	H	α-helix	trans	-87.7	-38.3	-178.9	-175.5	0	0	0	0	111.4	G966 Q972	G966-V968 VanDerWaalsContact C-N 3.29Å; G966-V968 PolarHBondContact O-N 3.19Å; G966-V968 VanDerWaalsContact O-N 3.13Å; V968-Q972 PolarHBondContact O-NE2 2.98Å
969	S	85.2	Confident	89.6	Confident	34 Å²	34	45.2 Å²	45.2	24%	0.238	23%	0.23	C	C	.	.	H	α-helix	trans	-105.2	-32.5	-171.1	-63.1	0	0	0	0	113.3	L926 G966 Q972 A973	L926-S969 WeakPolarHBondContact CD2-O 3.5Å; G966-S969 PolarHBondContact O-N 3.42Å; S969-Q972 PolarHBondContact O-N 2.82Å; S969-Q972 VanDerWaalsContact O-N 3.13Å; S969-A973 PolarHBondContact O-N 3.5Å
970	G	86.9	Confident	89.5	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-50.6	-54.4	179.8	0	0	0	0	0	113.3	G966 Q972 A973 F974	G966-G970 WeakPolarHBondContact O-CA 3.42Å; G966-G970 PolarHBondContact O-N 2.91Å; G970-Q972 PolarHBondContact O-N 2.84Å; G970-Q972 VanDerWaalsContact O-N 3.17Å; G970-A973 PolarHBondContact O-N 3.41Å; G970-F974 VanDerWaalsContact O-CB 3.31Å; G970-F974 WeakPolarHBondContact O-CB 3.23Å; G970-F974 PolarHBondContact O-N 3.28Å
971	P	86.7	Confident	89.4	Confident	55 Å²	55	39.1 Å²	39.1	36%	0.357	20%	0.204	S	C	.	.	H	α-helix	trans	-63.1	-25.6	-179	-22.8	34.3	0	0	0	113.8	P975 N998 K999	P971-P975 VanDerWaalsContact O-CD 3.24Å; P971-P975 WeakPolarHBondContact O-CD 3.3Å; P971-N998 WeakPolarHBondContact CD-O 3.38Å; P971-K999 HydrophobicContact CG-CB 4.32Å
972	Q	88.1	Confident	89.2	Confident	122 Å²	122	42 Å²	42	57%	0.57	22%	0.222	S	C	*	.	H	α-helix	trans	-84.9	-30.4	179.7	-57.3	-175.2	56.4	0	0	112.8	L926 V968 S969 G970	L926-Q972 HydrophobicContact CD2-CB 4.36Å; V968-Q972 PolarHBondContact O-NE2 2.98Å; S969-Q972 PolarHBondContact O-N 2.82Å; S969-Q972 VanDerWaalsContact O-N 3.13Å; G970-Q972 PolarHBondContact O-N 2.84Å; G970-Q972 VanDerWaalsContact O-N 3.17Å
973	A	89.3	Confident	89.1	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-90.7	-32.6	179.9	0	0	0	0	0	113	L926 V929 F963 L965 S969 G970 K976 L977	L926-A973 HydrophobicContact CD2-CB 3.6Å; V929-A973 HydrophobicContact CB-CB 4.4Å; V929-A973 HydrophobicContact CG1-CB 4.49Å; V929-A973 HydrophobicContact CG2-CB 4.01Å; F963-A973 HydrophobicContact CE2-CB 4.13Å; F963-A973 HydrophobicContact CZ-CB 4.06Å; L965-A973 HydrophobicContact CD2-CB 3.29Å; S969-A973 PolarHBondContact O-N 3.5Å; G970-A973 PolarHBondContact O-N 3.41Å; A973-K976 WeakPolarHBondContact O-CA 3.16Å; A973-K976 VanDerWaalsContact O-CB 3.25Å; A973-K976 WeakPolarHBondContact O-CB 3.41Å; A973-K976 PolarHBondContact O-N 3.13Å; A973-L977 PolarHBondContact O-N 2.96Å
974	F	91.8	Very high	89.1	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.009	22%	0.223	C	C	.	.	H	α-helix	trans	-59.3	-41.6	-172.3	-169.2	-99.5	0	0	0	113.4	F963 G970 K976 L977 V978 L992 I1000 G1004 L1008	F963-F974 HydrophobicContact CD1-CD2 4.32Å; F963-F974 HydrophobicContact CE1-CB 4.26Å; F963-F974 HydrophobicContact CE1-CD2 4.02Å; F963-F974 HydrophobicContact CZ-CB 3.97Å; F963-F974 HydrophobicContact CZ-CD2 4.15Å; G970-F974 VanDerWaalsContact O-CB 3.31Å; G970-F974 WeakPolarHBondContact O-CB 3.23Å; G970-F974 PolarHBondContact O-N 3.28Å; F974-K976 PolarHBondContact O-N 2.77Å; F974-L977 HydrophobicContact CD2-CD2 4.25Å; F974-L977 HydrophobicContact CE2-CD2 4.35Å; F974-L977 WeakPolarHBondContact O-CB 3.36Å; F974-L977 PolarHBondContact O-N 3.17Å; F974-L977 VanDerWaalsContact O-N 3.07Å; F974-V978 HydrophobicContact CD1-CG2 3.77Å; F974-V978 HydrophobicContact CE1-CG2 3.32Å; F974-V978 HydrophobicContact CE2-CG2 4.31Å; F974-V978 HydrophobicContact CG-CG2 4.44Å; F974-V978 HydrophobicContact CZ-CG2 3.63Å; F974-V978 WeakPolarHBondContact O-CG2 3.42Å; F974-V978 PolarHBondContact O-N 2.87Å; F974-L992 HydrophobicContact CE2-CD1 3.79Å; F974-L992 HydrophobicContact CE2-CD2 3.86Å; F974-L992 HydrophobicContact CE2-CG 4.48Å; F974-L992 HydrophobicContact CZ-CD1 4.01Å; F974-I1000 HydrophobicContact CB-CG1 4.22Å; F974-I1000 HydrophobicContact CD1-CD1 4.38Å; F974-I1000 HydrophobicContact CD1-CG1 4.25Å; F974-I1000 HydrophobicContact CD1-CG2 3.58Å; F974-I1000 HydrophobicContact CD2-CD1 3.49Å; F974-I1000 VanDerWaalsContact CD2-CD1 3.49Å; F974-I1000 HydrophobicContact CD2-CG1 3.99Å; F974-I1000 HydrophobicContact CE1-CD1 4.45Å; F974-I1000 HydrophobicContact CE1-CG2 3.6Å; F974-I1000 HydrophobicContact CE2-CD1 3.6Å; F974-I1000 HydrophobicContact CE2-CG1 4.45Å; F974-I1000 HydrophobicContact CG-CD1 3.91Å; F974-I1000 HydrophobicContact CG-CG1 3.87Å; F974-I1000 HydrophobicContact CG-CG2 4.09Å; F974-I1000 HydrophobicContact CZ-CD1 4.08Å; F974-I1000 HydrophobicContact CZ-CG2 4.14Å; F974-G1004 WeakPolarHBondContact CE1-O 3.46Å; F974-L1008 HydrophobicContact CE1-CB 4.12Å; F974-L1008 HydrophobicContact CZ-CB 4.02Å; F974-L1008 HydrophobicContact CZ-CD1 4.21Å; F974-L1008 HydrophobicContact CZ-CD2 4.2Å; F974-L1008 HydrophobicContact CZ-CG 4.36Å
975	P	92	Very high	89.1	Confident	46 Å²	46	42.9 Å²	42.9	30%	0.299	23%	0.233	S	C	.	.	H	α-helix	trans	-62.6	-25.6	171.6	-25.2	36.6	0	0	0	114.4	P971 R979	P971-P975 VanDerWaalsContact O-CD 3.24Å; P971-P975 WeakPolarHBondContact O-CD 3.3Å; P975-R979 VanDerWaalsContact O-CG 3.3Å; P975-R979 WeakPolarHBondContact O-CG 3.25Å
976	K	93.1	Very high	89.4	Confident	88 Å²	88	43.8 Å²	43.8	38%	0.383	24%	0.24	S	C	.	.	H	α-helix	trans	-72.3	-43.8	171.4	-56.6	178.1	-177.7	172.7	0	110.4	V929 E930 A973 F974 R979	V929-K976 HydrophobicContact CG1-CB 3.88Å; E930-K976 HydrophobicContact CG-CD 4.34Å; E930-K976 IonicContact OE1-NZ 3.53Å; E930-K976 PolarHBondContact OE1-NZ 2.78Å; A973-K976 WeakPolarHBondContact O-CA 3.16Å; A973-K976 VanDerWaalsContact O-CB 3.25Å; A973-K976 WeakPolarHBondContact O-CB 3.41Å; A973-K976 PolarHBondContact O-N 3.13Å; F974-K976 PolarHBondContact O-N 2.77Å; K976-R979 PolarHBondContact O-N 3.16Å
977	L	93.3	Very high	89.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.6	-49.5	177.9	179	60.5	0	0	0	111.7	V929 L932 L961 F963 A973 F974 R979 I980 L981	V929-L977 HydrophobicContact CG1-CB 3.89Å; L932-L977 HydrophobicContact CD1-CD1 4.43Å; L961-L977 HydrophobicContact CD1-CD1 3.94Å; L961-L977 HydrophobicContact CD2-CD1 4.41Å; L961-L977 HydrophobicContact CD2-CD2 4.03Å; F963-L977 HydrophobicContact CB-CD2 4.45Å; F963-L977 HydrophobicContact CD2-CD2 3.56Å; F963-L977 HydrophobicContact CE2-CD2 3.97Å; F963-L977 HydrophobicContact CG-CD2 4.17Å; A973-L977 PolarHBondContact O-N 2.96Å; F974-L977 HydrophobicContact CD2-CD2 4.25Å; F974-L977 HydrophobicContact CE2-CD2 4.35Å; F974-L977 WeakPolarHBondContact O-CB 3.36Å; F974-L977 PolarHBondContact O-N 3.17Å; F974-L977 VanDerWaalsContact O-N 3.07Å; L977-R979 PolarHBondContact O-N 3.32Å; L977-I980 HydrophobicContact CD1-CD1 4.48Å; L977-I980 HydrophobicContact CD1-CG1 4.32Å; L977-I980 CarbonylContact O-C 3.51Å; L977-I980 WeakPolarHBondContact O-CG1 3.38Å; L977-I980 PolarHBondContact O-N 3.25Å; L977-L981 HydrophobicContact CD1-CD2 3.93Å; L977-L981 HydrophobicContact CD1-CG 4.3Å; L977-L981 HydrophobicContact CG-CD2 4.06Å; L977-L981 HydrophobicContact CG-CG 4.08Å; L977-L981 WeakPolarHBondContact O-CG 3.48Å; L977-L981 PolarHBondContact O-N 3.45Å
978	V	92.8	Very high	90.4	Very high	10 Å²	10	42.7 Å²	42.7	6%	0.061	23%	0.229	C	C	.	.	H	α-helix	trans	-56.5	-37.7	-179.6	173.8	0	0	0	0	112	F974 I980 L981 Q1007 L1008 T1011	F974-V978 HydrophobicContact CD1-CG2 3.77Å; F974-V978 HydrophobicContact CE1-CG2 3.32Å; F974-V978 HydrophobicContact CE2-CG2 4.31Å; F974-V978 HydrophobicContact CG-CG2 4.44Å; F974-V978 HydrophobicContact CZ-CG2 3.63Å; F974-V978 WeakPolarHBondContact O-CG2 3.42Å; F974-V978 PolarHBondContact O-N 2.87Å; V978-I980 PolarHBondContact O-N 2.86Å; V978-I980 VanDerWaalsContact O-N 3.15Å; V978-L981 HydrophobicContact CG2-CD1 4.42Å; V978-L981 PolarHBondContact O-N 2.9Å; V978-Q1007 HydrophobicContact CG1-CB 4.2Å; V978-Q1007 WeakPolarHBondContact CG1-O 3.35Å; V978-L1008 HydrophobicContact CG2-CB 4.44Å; V978-T1011 HydrophobicContact CG1-CG2 3.57Å
979	R	90.9	Very high	90.9	Very high	199 Å²	199	39.8 Å²	39.8	75%	0.751	21%	0.208	S	C	*	.	H	α-helix	trans	-67.5	-9.3	176.7	-70.1	177.1	68.1	-173.1	1.1	114.9	P975 K976 L977	P975-R979 VanDerWaalsContact O-CG 3.3Å; P975-R979 WeakPolarHBondContact O-CG 3.25Å; K976-R979 PolarHBondContact O-N 3.16Å; L977-R979 PolarHBondContact O-N 3.32Å
980	I	93.1	Very high	91.4	Very high	13 Å²	13	38.2 Å²	38.2	7%	0.067	20%	0.197	C	C	.	.	H	α-helix	trans	-121.6	-14.5	177	64.4	171.5	0	0	0	113.9	L932 V936 L977 V978 T982 A983	L932-I980 HydrophobicContact CB-CD1 3.62Å; V936-I980 HydrophobicContact CB-CB 4.43Å; V936-I980 HydrophobicContact CB-CG2 4.41Å; V936-I980 HydrophobicContact CG1-CB 4.36Å; V936-I980 HydrophobicContact CG1-CG2 4.28Å; V936-I980 HydrophobicContact CG2-CB 4.28Å; L977-I980 HydrophobicContact CD1-CD1 4.48Å; L977-I980 HydrophobicContact CD1-CG1 4.32Å; L977-I980 CarbonylContact O-C 3.51Å; L977-I980 WeakPolarHBondContact O-CG1 3.38Å; L977-I980 PolarHBondContact O-N 3.25Å; V978-I980 PolarHBondContact O-N 2.86Å; V978-I980 VanDerWaalsContact O-N 3.15Å; I980-T982 PolarHBondContact O-N 3.49Å; I980-T982 VanDerWaalsContact O-N 3.15Å; I980-A983 WeakPolarHBondContact O-CB 3.35Å; I980-A983 PolarHBondContact O-N 3.23Å
981	L	91.8	Very high	91.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-51.5	-37.8	174.9	-77.4	-179.4	0	0	0	112.5	L961 L977 V978 A983 F984 L987 L990 L1008	L961-L981 HydrophobicContact CD1-CD2 4.27Å; L977-L981 HydrophobicContact CD1-CD2 3.93Å; L977-L981 HydrophobicContact CD1-CG 4.3Å; L977-L981 HydrophobicContact CG-CD2 4.06Å; L977-L981 HydrophobicContact CG-CG 4.08Å; L977-L981 WeakPolarHBondContact O-CG 3.48Å; L977-L981 PolarHBondContact O-N 3.45Å; V978-L981 HydrophobicContact CG2-CD1 4.42Å; V978-L981 PolarHBondContact O-N 2.9Å; L981-A983 PolarHBondContact O-N 2.98Å; L981-F984 PolarHBondContact O-N 2.95Å; L981-L987 HydrophobicContact CD2-CD2 4.18Å; L981-L990 HydrophobicContact CD1-CD2 3.99Å; L981-L990 HydrophobicContact CD2-CD1 4.26Å; L981-L1008 HydrophobicContact CD1-CD1 3.54Å
982	T	89.8	Confident	91.7	Very high	60 Å²	60	37 Å²	37	37%	0.368	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-6.8	178.9	55.8	0	0	0	0	115.2	I980 T1011 Q1014	I980-T982 PolarHBondContact O-N 3.49Å; I980-T982 VanDerWaalsContact O-N 3.15Å; T982-T1011 HydrophobicContact CG2-CG2 3.81Å; T982-Q1014 HydrophobicContact CG2-CB 4.06Å; T982-Q1014 HydrophobicContact CG2-CG 4.06Å
983	A	89.4	Confident	91.2	Very high	25 Å²	25	33.6 Å²	33.6	21%	0.207	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-20.4	171.2	0	0	0	0	0	113.5	V936 V955 I980 L981 S985	V936-A983 HydrophobicContact CB-CB 4.4Å; V936-A983 HydrophobicContact CG1-CB 3.64Å; V936-A983 HydrophobicContact CG2-CB 3.8Å; V955-A983 HydrophobicContact CG1-CB 4.31Å; V955-A983 VanDerWaalsContact CG1-O 3.31Å; V955-A983 WeakPolarHBondContact CG1-O 3.44Å; I980-A983 WeakPolarHBondContact O-CB 3.35Å; I980-A983 PolarHBondContact O-N 3.23Å; L981-A983 PolarHBondContact O-N 2.98Å; A983-S985 PolarHBondContact O-N 2.9Å
984	F	91.3	Very high	89.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.			trans	-95.5	72.3	-175.7	-54.7	-71.8	0	0	0	110.4	L932 V936 V955 L958 L981 S986 L987	L932-F984 HydrophobicContact CD2-CZ 4.1Å; V936-F984 HydrophobicContact CG2-CE1 4.24Å; V936-F984 HydrophobicContact CG2-CE2 4.08Å; V936-F984 HydrophobicContact CG2-CZ 3.62Å; V955-F984 HydrophobicContact CB-CD1 4.46Å; V955-F984 HydrophobicContact CB-CE1 4.34Å; V955-F984 HydrophobicContact CG1-CD1 3.95Å; V955-F984 HydrophobicContact CG1-CE1 4.08Å; V955-F984 HydrophobicContact CG2-CE1 4.29Å; L958-F984 HydrophobicContact CB-CD1 4.05Å; L958-F984 HydrophobicContact CD2-CB 4.28Å; L958-F984 HydrophobicContact CD2-CD1 3.46Å; L958-F984 VanDerWaalsContact CD2-CD1 3.46Å; L958-F984 HydrophobicContact CD2-CD2 4.24Å; L958-F984 HydrophobicContact CD2-CE1 3.75Å; L958-F984 HydrophobicContact CD2-CE2 4.5Å; L958-F984 HydrophobicContact CD2-CG 3.73Å; L958-F984 HydrophobicContact CD2-CZ 4.28Å; L958-F984 HydrophobicContact CG-CD1 4.37Å; L981-F984 PolarHBondContact O-N 2.95Å; F984-S986 PolarHBondContact O-N 2.92Å; F984-L987 HydrophobicContact CB-CB 4.22Å; F984-L987 VanDerWaalsContact O-CB 3.26Å; F984-L987 WeakPolarHBondContact O-CB 3.3Å; F984-L987 PolarHBondContact O-N 3.48Å; F984-L987 VanDerWaalsContact O-N 3.14Å
985	S	87.1	Confident	87.8	Confident	54 Å²	54	41.4 Å²	41.4	38%	0.378	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-28.8	-177.1	53.3	0	0	0	0	114.3	A983 S1017	A983-S985 PolarHBondContact O-N 2.9Å; S985-S1017 WeakPolarHBondContact O-CB 3.46Å; S985-S1017 PolarHBondContact O-OG 2.84Å
986	S	90.9	Very high	86.3	Confident	37 Å²	37	40.6 Å²	40.6	26%	0.259	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	4.5	179.2	-59.4	0	0	0	0	114.8	R956 L958 F984 Q988	R956-S986 WeakPolarHBondContact O-CB 3.46Å; R956-S986 PolarHBondContact O-OG 2.93Å; L958-S986 CarbonylContact O-C 3.51Å; L958-S986 VanDerWaalsContact O-C 3.26Å; F984-S986 PolarHBondContact O-N 2.92Å; S986-Q988 PolarHBondContact O-N 2.88Å; S986-Q988 VanDerWaalsContact O-N 3.14Å
987	L	94.7	Very high	85.3	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.202	C	C	.	.			trans	-65.8	113.6	-175.3	-171.3	71.9	0	0	0	111	L958 L961 L981 F984 L990 L1015 S1017 L1018	L958-L987 HydrophobicContact CD2-CD1 4.42Å; L958-L987 HydrophobicContact CG-CD1 4.35Å; L958-L987 PolarHBondContact O-N 3.49Å; L961-L987 HydrophobicContact CB-CD1 3.77Å; L981-L987 HydrophobicContact CD2-CD2 4.18Å; F984-L987 HydrophobicContact CB-CB 4.22Å; F984-L987 VanDerWaalsContact O-CB 3.26Å; F984-L987 WeakPolarHBondContact O-CB 3.3Å; F984-L987 PolarHBondContact O-N 3.48Å; F984-L987 VanDerWaalsContact O-N 3.14Å; L987-L990 HydrophobicContact CD2-CB 4.25Å; L987-L990 HydrophobicContact CD2-CD1 4.43Å; L987-L1015 HydrophobicContact CD2-CD2 4.3Å; L987-S1017 CarbonylContact O-C 3.42Å; L987-S1017 VanDerWaalsContact O-C 3.25Å; L987-L1018 HydrophobicContact CD2-CD1 4.42Å; L987-L1018 HydrophobicContact CG-CD1 4.31Å; L987-L1018 WeakPolarHBondContact O-CA 3.37Å; L987-L1018 PolarHBondContact O-N 3.26Å
988	Q	95.4	Very high	84.9	Confident	39 Å²	39	38.5 Å²	38.5	18%	0.182	20%	0.202	C	C	.	.			trans	-97	-29.6	179.5	-69.2	175.7	-78.8	0	0	112.7	K959 S986 S1017 E1019 T1020	K959-Q988 PolarHBondContact O-N 2.92Å; S986-Q988 PolarHBondContact O-N 2.88Å; S986-Q988 VanDerWaalsContact O-N 3.14Å; Q988-S1017 WeakPolarHBondContact CA-O 3.47Å; Q988-E1019 PolarHBondContact NE2-OE1 2.98Å; Q988-E1019 WeakPolarHBondContact O-CA 3.19Å; Q988-E1019 PolarHBondContact O-N 3.44Å; Q988-T1020 PolarHBondContact O-N 2.99Å
989	H	95.3	Very high	84.5	Confident	51 Å²	51	41.7 Å²	41.7	24%	0.236	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	116.6	-176.3	-46.4	-51.9	0	0	0	110.4	K959 K960 L961 E1019 T1020	K959-H989 PolarHBondContact O-N 3.25Å; K960-H989 WeakPolarHBondContact CA-O 3.29Å; K960-H989 HydrophobicContact CB-CB 4.22Å; K960-H989 HydrophobicContact CD-CB 4.48Å; K960-H989 HydrophobicContact CG-CB 3.99Å; L961-H989 PolarHBondContact N-O 3.37Å; H989-E1019 IonicContact CE1-OE2 2.73Å; H989-T1020 WeakPolarHBondContact CA-O 3.1Å; H989-T1020 WeakPolarHBondContact ND1-CB 3.44Å; H989-T1020 PolarHBondContact ND1-OG1 3.41Å; H989-T1020 VanDerWaalsContact ND1-OG1 3.15Å
990	L	95	Very high	84.3	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	117.4	170.9	-178.9	60.4	0	0	0	108.6	L961 L981 L987 L992 L1008 L1018 T1020 L1021 N1022	L961-L990 HydrophobicContact CB-CD1 4.4Å; L961-L990 HydrophobicContact CD2-CD1 3.89Å; L981-L990 HydrophobicContact CD1-CD2 3.99Å; L981-L990 HydrophobicContact CD2-CD1 4.26Å; L987-L990 HydrophobicContact CD2-CB 4.25Å; L987-L990 HydrophobicContact CD2-CD1 4.43Å; L990-L992 HydrophobicContact CD1-CD2 3.86Å; L990-L992 HydrophobicContact CD1-CG 4.48Å; L990-L992 HydrophobicContact CD2-CD1 4.39Å; L990-L992 HydrophobicContact CG-CD1 4.37Å; L990-L992 HydrophobicContact CG-CD2 4.09Å; L990-L992 HydrophobicContact CG-CG 4.16Å; L990-L1008 HydrophobicContact CD2-CD1 3.72Å; L990-L1008 HydrophobicContact CD2-CD2 4.31Å; L990-L1018 HydrophobicContact CB-CD1 3.81Å; L990-T1020 PolarHBondContact N-O 2.85Å; L990-L1021 HydrophobicContact CB-CD1 4.24Å; L990-L1021 HydrophobicContact CD2-CD1 4.06Å; L990-L1021 HydrophobicContact CG-CD1 4.28Å; L990-N1022 PolarHBondContact O-N 3.22Å
991	D	92.4	Very high	84.2	Confident	31 Å²	31	33 Å²	33	17%	0.166	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	104.3	-166.7	-169.1	3.9	0	0	0	110	K960 L961 E962 F963 N1022	K960-D991 WeakPolarHBondContact CE-OD2 3.31Å; K960-D991 IonicContact NZ-OD2 2.89Å; K960-D991 PolarHBondContact NZ-OD2 3.32Å; L961-D991 PolarHBondContact O-N 2.6Å; E962-D991 CarbonylContact C-O 3.46Å; E962-D991 WeakPolarHBondContact CA-O 3.45Å; E962-D991 HydrophobicContact CB-CB 4.45Å; E962-D991 HydrophobicContact CG-CB 3.98Å; F963-D991 PolarHBondContact N-O 3.35Å; D991-N1022 PolarHBondContact OD1-ND2 3.22Å
992	L	89.1	Confident	84.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.195	C	C	.	.			trans	-112	9.7	-172.5	-49	174.3	0	0	0	112.4	F963 F974 L990 N998 I1000 L1008 N1022 L1023 N1026	F963-L992 HydrophobicContact CB-CD2 3.58Å; F963-L992 HydrophobicContact CD1-CD2 4.3Å; F963-L992 HydrophobicContact CG-CD2 4.19Å; F974-L992 HydrophobicContact CE2-CD1 3.79Å; F974-L992 HydrophobicContact CE2-CD2 3.86Å; F974-L992 HydrophobicContact CE2-CG 4.48Å; F974-L992 HydrophobicContact CZ-CD1 4.01Å; L990-L992 HydrophobicContact CD1-CD2 3.86Å; L990-L992 HydrophobicContact CD1-CG 4.48Å; L990-L992 HydrophobicContact CD2-CD1 4.39Å; L990-L992 HydrophobicContact CG-CD1 4.37Å; L990-L992 HydrophobicContact CG-CD2 4.09Å; L990-L992 HydrophobicContact CG-CG 4.16Å; L992-N998 PolarHBondContact O-ND2 3.11Å; L992-I1000 HydrophobicContact CB-CD1 4.04Å; L992-I1000 HydrophobicContact CD1-CD1 3.98Å; L992-I1000 HydrophobicContact CD2-CD1 4.44Å; L992-I1000 HydrophobicContact CG-CD1 4.37Å; L992-L1008 HydrophobicContact CD1-CD2 4.05Å; L992-N1022 VanDerWaalsContact CB-O 3.26Å; L992-N1022 WeakPolarHBondContact CB-O 3.47Å; L992-N1022 PolarHBondContact N-O 2.88Å; L992-L1023 HydrophobicContact CD1-CD2 3.66Å; L992-L1023 HydrophobicContact CD1-CG 4.37Å; L992-N1026 PolarHBondContact O-ND2 2.97Å
993	D	77	Confident	84.5	Confident	50 Å²	50	37.4 Å²	37.4	27%	0.267	20%	0.204	S	C	.	.			trans	-82.8	167.7	-175.2	178.2	39	0	0	0	113.3	N1022 S1024 Q1025	D993-N1022 HydrophobicContact CB-CB 4.41Å; D993-N1022 VanDerWaalsContact CB-CG 3.42Å; D993-N1022 WeakPolarHBondContact CB-ND2 3.3Å; D993-N1022 PolarHBondContact OD2-ND2 3.04Å; D993-S1024 VanDerWaalsContact OD1-CB 3.31Å; D993-S1024 WeakPolarHBondContact OD1-CB 3.5Å; D993-Q1025 PolarHBondContact OD1-NE2 2.98Å
994	A	54.1	Low	84.6	Confident	6 Å²	6	36.5 Å²	36.5	5%	0.05	20%	0.197	C	C	.	.			trans	-144.3	88.2	-137.6	0	0	0	0	0	113.2	S996 Q1025	A994-S996 VanDerWaalsContact CA-N 3.25Å; A994-S996 PolarHBondContact O-N 2.76Å; A994-Q1025 HydrophobicContact CB-CB 3.63Å; A994-Q1025 PolarHBondContact O-NE2 3.08Å; A994-Q1025 PolarHBondContact O-OE1 3.09Å
995	L	54.8	Low	84.7	Confident	160 Å²	160	36.5 Å²	36.5	84%	0.838	20%	0.197	S	C	*	.	S	Bend	trans	-69.1	15.8	132.1	-65.8	176.4	0	0	0	111.9
996	S	60.4	Low	85	Confident	28 Å²	28	35.8 Å²	35.8	20%	0.196	19%	0.192	C	C	.	.	S	Bend	trans	-133.4	-19.4	-168.6	69.3	0	0	0	0	115.6	G966 P967 A994 N998	G966-S996 WeakPolarHBondContact CA-O 3.36Å; P967-S996 WeakPolarHBondContact CD-O 3.44Å; A994-S996 VanDerWaalsContact CA-N 3.25Å; A994-S996 PolarHBondContact O-N 2.76Å; S996-N998 PolarHBondContact OG-ND2 3.01Å; S996-N998 PolarHBondContact OG-OD1 3.41Å
997	E	73.6	Confident	85.1	Confident	45 Å²	45	36.8 Å²	36.8	21%	0.21	19%	0.193	C	C	.	.			trans	50.3	72	-169	-59.5	176.1	-149	0	0	114.3	R92 G966 P967 K999	R92-E997 IonicContact CZ-OE1 3.68Å; R92-E997 VanDerWaalsContact CZ-OE1 3.3Å; R92-E997 IonicContact NH1-OE1 3.9Å; R92-E997 PolarHBondContact NH1-OE1 3.01Å; R92-E997 IonicContact NH2-OE1 2.96Å; R92-E997 PolarHBondContact NH2-OE1 3.43Å; G966-E997 CarbonylContact C-O 3.43Å; G966-E997 VanDerWaalsContact C-O 3.22Å; G966-E997 WeakPolarHBondContact CA-O 3.5Å; P967-E997 WeakPolarHBondContact CA-O 3.42Å; P967-E997 HydrophobicContact CB-CB 4.49Å; P967-E997 WeakPolarHBondContact CB-O 3.32Å; P967-E997 VanDerWaalsContact CD-O 3.23Å; P967-E997 WeakPolarHBondContact CD-O 3.23Å; E997-K999 VanDerWaalsContact C-N 3.27Å; E997-K999 HydrophobicContact CB-CG 4.48Å; E997-K999 PolarHBondContact O-N 3.09Å; E997-K999 WeakPolarHBondContact OE2-CE 3.27Å; E997-K999 IonicContact OE2-NZ 3.12Å; E997-K999 PolarHBondContact OE2-NZ 2.84Å
998	N	83.3	Confident	85.2	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.193	C	C	.	.			trans	-67.5	-18.6	-174.3	-75.6	-54.4	0	0	0	115.5	F963 L965 G966 P971 L992 S996 I1000 N1026	F963-N998 HydrophobicContact CD1-CB 4.3Å; F963-N998 HydrophobicContact CE1-CB 4.26Å; F963-N998 PolarHBondContact O-ND2 2.88Å; L965-N998 PolarHBondContact N-OD1 3.46Å; G966-N998 PolarHBondContact N-OD1 2.94Å; P971-N998 WeakPolarHBondContact CD-O 3.38Å; L992-N998 PolarHBondContact O-ND2 3.11Å; S996-N998 PolarHBondContact OG-ND2 3.01Å; S996-N998 PolarHBondContact OG-OD1 3.41Å; N998-I1000 VanDerWaalsContact C-N 3.28Å; N998-I1000 HydrophobicContact CB-CD1 4.24Å; N998-I1000 HydrophobicContact CB-CG1 4.16Å; N998-I1000 PolarHBondContact O-N 3.05Å; N998-N1026 VanDerWaalsContact CB-OD1 3.28Å; N998-N1026 WeakPolarHBondContact CB-OD1 3.37Å
999	K	84.6	Confident	85.1	Confident	76 Å²	76	35.3 Å²	35.3	33%	0.33	19%	0.187	S	C	.	.			trans	48.5	40.8	175.4	-61.4	-170.3	-174	173.4	0	115	P967 P971 E997 G1001 N1026	P967-K999 HydrophobicContact CB-CD 3.66Å; P967-K999 HydrophobicContact CB-CG 4.1Å; P971-K999 HydrophobicContact CG-CB 4.32Å; E997-K999 VanDerWaalsContact C-N 3.27Å; E997-K999 HydrophobicContact CB-CG 4.48Å; E997-K999 PolarHBondContact O-N 3.09Å; E997-K999 WeakPolarHBondContact OE2-CE 3.27Å; E997-K999 IonicContact OE2-NZ 3.12Å; E997-K999 PolarHBondContact OE2-NZ 2.84Å; K999-G1001 VanDerWaalsContact C-N 3.3Å; K999-G1001 PolarHBondContact O-N 2.87Å; K999-N1026 PolarHBondContact N-OD1 3.44Å
1000	I	88	Confident	85	Confident	14 Å²	14	36.4 Å²	36.4	7%	0.072	20%	0.204	C	C	.	.			trans	-60.1	-36.7	-178.8	-70.5	169.7	0	0	0	112.6	F963 F974 L992 N998 G1004 N1026	F963-I1000 HydrophobicContact CD1-CD1 4.36Å; F963-I1000 HydrophobicContact CE1-CD1 4.34Å; F974-I1000 HydrophobicContact CB-CG1 4.22Å; F974-I1000 HydrophobicContact CD1-CD1 4.38Å; F974-I1000 HydrophobicContact CD1-CG1 4.25Å; F974-I1000 HydrophobicContact CD1-CG2 3.58Å; F974-I1000 HydrophobicContact CD2-CD1 3.49Å; F974-I1000 VanDerWaalsContact CD2-CD1 3.49Å; F974-I1000 HydrophobicContact CD2-CG1 3.99Å; F974-I1000 HydrophobicContact CE1-CD1 4.45Å; F974-I1000 HydrophobicContact CE1-CG2 3.6Å; F974-I1000 HydrophobicContact CE2-CD1 3.6Å; F974-I1000 HydrophobicContact CE2-CG1 4.45Å; F974-I1000 HydrophobicContact CG-CD1 3.91Å; F974-I1000 HydrophobicContact CG-CG1 3.87Å; F974-I1000 HydrophobicContact CG-CG2 4.09Å; F974-I1000 HydrophobicContact CZ-CD1 4.08Å; F974-I1000 HydrophobicContact CZ-CG2 4.14Å; L992-I1000 HydrophobicContact CB-CD1 4.04Å; L992-I1000 HydrophobicContact CD1-CD1 3.98Å; L992-I1000 HydrophobicContact CD2-CD1 4.44Å; L992-I1000 HydrophobicContact CG-CD1 4.37Å; N998-I1000 VanDerWaalsContact C-N 3.28Å; N998-I1000 HydrophobicContact CB-CD1 4.24Å; N998-I1000 HydrophobicContact CB-CG1 4.16Å; N998-I1000 PolarHBondContact O-N 3.05Å; I1000-G1004 PolarHBondContact O-N 2.73Å; I1000-N1026 HydrophobicContact CB-CB 4.27Å; I1000-N1026 VanDerWaalsContact CB-OD1 3.31Å; I1000-N1026 WeakPolarHBondContact CB-OD1 3.23Å; I1000-N1026 VanDerWaalsContact CD1-OD1 3.27Å; I1000-N1026 WeakPolarHBondContact CD1-OD1 3.39Å; I1000-N1026 WeakPolarHBondContact CG1-OD1 3.45Å; I1000-N1026 PolarHBondContact N-O 3.32Å; I1000-N1026 PolarHBondContact N-OD1 3.4Å
1001	G	91.1	Very high	84.9	Confident	15 Å²	15	37 Å²	37	16%	0.155	21%	0.208	C	C	.	.	H	α-helix	trans	64.8	178.3	175.8	0	0	0	0	0	115.4	K999 E1003 G1004 V1005 N1026	K999-G1001 VanDerWaalsContact C-N 3.3Å; K999-G1001 PolarHBondContact O-N 2.87Å; G1001-E1003 VanDerWaalsContact C-N 3.32Å; G1001-E1003 PolarHBondContact O-N 2.89Å; G1001-G1004 PolarHBondContact O-N 3.36Å; G1001-G1004 VanDerWaalsContact O-N 3.13Å; G1001-V1005 WeakPolarHBondContact O-CG2 3.28Å; G1001-V1005 PolarHBondContact O-N 2.86Å; G1001-N1026 WeakPolarHBondContact CA-O 3.43Å; G1001-N1026 PolarHBondContact N-O 2.88Å
1002	D	93.3	Very high	85	Confident	32 Å²	32	35.5 Å²	35.5	17%	0.171	20%	0.2	C	C	.	.	H	α-helix	trans	-60.3	-37.6	-173.6	-59.2	-39.3	0	0	0	113.8	V1005 S1006 T1029 L1031 G1032	D1002-V1005 PolarHBondContact O-N 3Å; D1002-S1006 VanDerWaalsContact O-CB 3.32Å; D1002-S1006 WeakPolarHBondContact O-CB 3.37Å; D1002-S1006 PolarHBondContact O-N 2.82Å; D1002-T1029 VanDerWaalsContact CG-OG1 3.29Å; D1002-T1029 PolarHBondContact OD1-N 3.05Å; D1002-T1029 PolarHBondContact OD1-OG1 3.1Å; D1002-T1029 WeakPolarHBondContact OD2-CG2 3.39Å; D1002-T1029 PolarHBondContact OD2-OG1 3.14Å; D1002-L1031 HydrophobicContact CB-CB 4.33Å; D1002-L1031 HydrophobicContact CB-CD2 4.28Å; D1002-L1031 HydrophobicContact CB-CG 4.23Å; D1002-G1032 VanDerWaalsContact CG-N 3.32Å; D1002-G1032 WeakPolarHBondContact OD1-CA 3.31Å; D1002-G1032 PolarHBondContact OD1-N 2.97Å
1003	E	92.7	Very high	85	Confident	122 Å²	122	38.6 Å²	38.6	57%	0.57	22%	0.22	S	C	*	.	H	α-helix	trans	-67.5	-39.3	177.3	175.6	55	-154.6	0	0	111.5	G1001 S1006 Q1007	G1001-E1003 VanDerWaalsContact C-N 3.32Å; G1001-E1003 PolarHBondContact O-N 2.89Å; E1003-S1006 WeakPolarHBondContact O-CB 3.16Å; E1003-S1006 PolarHBondContact O-N 3.01Å; E1003-Q1007 WeakPolarHBondContact O-CG 3.31Å; E1003-Q1007 PolarHBondContact O-N 2.96Å; E1003-Q1007 PolarHBondContact OE1-NE2 3.47Å
1004	G	91.6	Very high	85.6	Confident	5 Å²	5	40.7 Å²	40.7	5%	0.052	23%	0.229	C	C	.	.	H	α-helix	trans	-66.4	-41.3	173.5	0	0	0	0	0	112.2	F974 I1000 G1001 S1006 Q1007 L1008	F974-G1004 WeakPolarHBondContact CE1-O 3.46Å; I1000-G1004 PolarHBondContact O-N 2.73Å; G1001-G1004 PolarHBondContact O-N 3.36Å; G1001-G1004 VanDerWaalsContact O-N 3.13Å; G1004-S1006 VanDerWaalsContact C-N 3.33Å; G1004-S1006 PolarHBondContact O-N 3.25Å; G1004-Q1007 PolarHBondContact O-N 3.37Å; G1004-L1008 WeakPolarHBondContact O-CB 3.18Å; G1004-L1008 PolarHBondContact O-N 3.04Å
1005	V	93.7	Very high	87.4	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-41.3	172.9	174.5	0	0	0	0	111.4	G1001 D1002 L1008 S1009 L1023 I1028 G1032 L1036	G1001-V1005 WeakPolarHBondContact O-CG2 3.28Å; G1001-V1005 PolarHBondContact O-N 2.86Å; D1002-V1005 PolarHBondContact O-N 3Å; V1005-L1008 PolarHBondContact O-N 2.9Å; V1005-S1009 VanDerWaalsContact O-CB 3.22Å; V1005-S1009 WeakPolarHBondContact O-CB 3.44Å; V1005-S1009 PolarHBondContact O-N 3.49Å; V1005-S1009 PolarHBondContact O-OG 3.1Å; V1005-L1023 HydrophobicContact CG2-CD2 4.21Å; V1005-I1028 HydrophobicContact CG2-CD1 3.65Å; V1005-I1028 HydrophobicContact CG2-CG1 3.75Å; V1005-I1028 HydrophobicContact CG2-CG2 4.28Å; V1005-G1032 WeakPolarHBondContact CG1-O 3.35Å; V1005-L1036 HydrophobicContact CG1-CB 3.93Å; V1005-L1036 HydrophobicContact CG1-CD1 4.24Å
1006	S	94	Very high	89	Confident	39 Å²	39	40.3 Å²	40.3	27%	0.273	22%	0.219	S	C	.	.	H	α-helix	trans	-59.6	-46.7	174.6	-176.6	0	0	0	0	111.8	D1002 E1003 G1004 S1009 A1010	D1002-S1006 VanDerWaalsContact O-CB 3.32Å; D1002-S1006 WeakPolarHBondContact O-CB 3.37Å; D1002-S1006 PolarHBondContact O-N 2.82Å; E1003-S1006 WeakPolarHBondContact O-CB 3.16Å; E1003-S1006 PolarHBondContact O-N 3.01Å; G1004-S1006 VanDerWaalsContact C-N 3.33Å; G1004-S1006 PolarHBondContact O-N 3.25Å; S1006-S1009 PolarHBondContact O-N 3.07Å; S1006-A1010 PolarHBondContact O-N 3.22Å
1007	Q	94	Very high	90.5	Very high	59 Å²	59	41.1 Å²	41.1	28%	0.276	23%	0.225	S	C	.	.	H	α-helix	trans	-64.4	-43.2	176	-70	175.9	25.2	0	0	112.5	V978 E1003 G1004 A1010	V978-Q1007 HydrophobicContact CG1-CB 4.2Å; V978-Q1007 WeakPolarHBondContact CG1-O 3.35Å; E1003-Q1007 WeakPolarHBondContact O-CG 3.31Å; E1003-Q1007 PolarHBondContact O-N 2.96Å; E1003-Q1007 PolarHBondContact OE1-NE2 3.47Å; G1004-Q1007 PolarHBondContact O-N 3.37Å; Q1007-A1010 PolarHBondContact O-N 3.08Å
1008	L	94.9	Very high	91.6	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-44.8	177	178.2	65.5	0	0	0	111.4	F974 V978 L981 L990 L992 G1004 V1005 A1010 T1011 F1012 L1021 L1023	F974-L1008 HydrophobicContact CE1-CB 4.12Å; F974-L1008 HydrophobicContact CZ-CB 4.02Å; F974-L1008 HydrophobicContact CZ-CD1 4.21Å; F974-L1008 HydrophobicContact CZ-CD2 4.2Å; F974-L1008 HydrophobicContact CZ-CG 4.36Å; V978-L1008 HydrophobicContact CG2-CB 4.44Å; L981-L1008 HydrophobicContact CD1-CD1 3.54Å; L990-L1008 HydrophobicContact CD2-CD1 3.72Å; L990-L1008 HydrophobicContact CD2-CD2 4.31Å; L992-L1008 HydrophobicContact CD1-CD2 4.05Å; G1004-L1008 WeakPolarHBondContact O-CB 3.18Å; G1004-L1008 PolarHBondContact O-N 3.04Å; V1005-L1008 PolarHBondContact O-N 2.9Å; L1008-A1010 PolarHBondContact O-N 3.01Å; L1008-T1011 PolarHBondContact O-N 3.37Å; L1008-T1011 PolarHBondContact O-OG1 3.31Å; L1008-F1012 HydrophobicContact CD1-CE1 4.37Å; L1008-F1012 HydrophobicContact CD2-CE1 4.18Å; L1008-F1012 HydrophobicContact CG-CE1 3.78Å; L1008-F1012 HydrophobicContact CG-CZ 4.36Å; L1008-L1021 HydrophobicContact CD2-CD1 4.18Å; L1008-L1023 HydrophobicContact CD2-CD2 4.14Å
1009	S	93.8	Very high	92.3	Very high	8 Å²	8	41.8 Å²	41.8	6%	0.056	23%	0.228	C	C	.	.	H	α-helix	trans	-56	-34.6	179.9	-65.7	0	0	0	0	112.3	V1005 S1006 T1011 F1012	V1005-S1009 VanDerWaalsContact O-CB 3.22Å; V1005-S1009 WeakPolarHBondContact O-CB 3.44Å; V1005-S1009 PolarHBondContact O-N 3.49Å; V1005-S1009 PolarHBondContact O-OG 3.1Å; S1006-S1009 PolarHBondContact O-N 3.07Å; S1009-T1011 PolarHBondContact O-N 3.07Å; S1009-F1012 PolarHBondContact O-N 3.15Å
1010	A	93.4	Very high	92.8	Very high	74 Å²	74	39.2 Å²	39.2	61%	0.612	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-11.9	175.3	0	0	0	0	0	114.7	S1006 Q1007 L1008	S1006-A1010 PolarHBondContact O-N 3.22Å; Q1007-A1010 PolarHBondContact O-N 3.08Å; L1008-A1010 PolarHBondContact O-N 3.01Å
1011	T	93.7	Very high	93.2	Very high	12 Å²	12	38.6 Å²	38.6	7%	0.074	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-8.5	179.1	68.1	0	0	0	0	114.6	V978 T982 L1008 S1009 P1013 Q1014 L1015	V978-T1011 HydrophobicContact CG1-CG2 3.57Å; T982-T1011 HydrophobicContact CG2-CG2 3.81Å; L1008-T1011 PolarHBondContact O-N 3.37Å; L1008-T1011 PolarHBondContact O-OG1 3.31Å; S1009-T1011 PolarHBondContact O-N 3.07Å; T1011-P1013 VanDerWaalsContact C-CD 3.43Å; T1011-Q1014 VanDerWaalsContact C-OE1 3.28Å; T1011-Q1014 PolarHBondContact O-N 3.48Å; T1011-Q1014 VanDerWaalsContact O-N 3.13Å; T1011-Q1014 PolarHBondContact O-OE1 2.99Å; T1011-L1015 PolarHBondContact O-N 2.75Å
1012	F	93	Very high	93.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-37.8	179	-68.6	-11	0	0	0	114.7	L1008 S1009 Q1014 L1015 L1021 L1036 A1039 S1042 L1043	L1008-F1012 HydrophobicContact CD1-CE1 4.37Å; L1008-F1012 HydrophobicContact CD2-CE1 4.18Å; L1008-F1012 HydrophobicContact CG-CE1 3.78Å; L1008-F1012 HydrophobicContact CG-CZ 4.36Å; S1009-F1012 PolarHBondContact O-N 3.15Å; F1012-Q1014 PolarHBondContact O-N 3.26Å; F1012-L1015 PolarHBondContact O-N 2.74Å; F1012-L1021 HydrophobicContact CE1-CD2 3.97Å; F1012-L1021 HydrophobicContact CZ-CD2 3.61Å; F1012-L1036 HydrophobicContact CE2-CD1 3.76Å; F1012-L1036 HydrophobicContact CZ-CD1 3.69Å; F1012-A1039 HydrophobicContact CD2-CB 3.75Å; F1012-A1039 HydrophobicContact CE2-CB 4.18Å; F1012-S1042 WeakPolarHBondContact CB-OG 3.09Å; F1012-L1043 HydrophobicContact CB-CD1 4.19Å; F1012-L1043 HydrophobicContact CB-CD2 3.85Å; F1012-L1043 HydrophobicContact CB-CG 3.83Å; F1012-L1043 HydrophobicContact CD1-CD1 3.8Å; F1012-L1043 HydrophobicContact CD1-CG 4.4Å; F1012-L1043 HydrophobicContact CD2-CD1 3.81Å; F1012-L1043 HydrophobicContact CD2-CG 4.09Å; F1012-L1043 HydrophobicContact CE1-CD1 4.03Å; F1012-L1043 HydrophobicContact CE2-CD1 4.07Å; F1012-L1043 HydrophobicContact CG-CD1 3.68Å; F1012-L1043 HydrophobicContact CG-CD2 4.25Å; F1012-L1043 HydrophobicContact CG-CG 3.88Å; F1012-L1043 HydrophobicContact CZ-CD1 4.18Å; F1012-L1043 WeakPolarHBondContact O-CD2 3.47Å
1013	P	90.9	Very high	93.4	Very high	65 Å²	65	37.3 Å²	37.3	42%	0.422	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-15.5	177.6	-25.4	36.3	0	0	0	115.1	T1011 K1016	T1011-P1013 VanDerWaalsContact C-CD 3.43Å; P1013-K1016 WeakPolarHBondContact O-CE 3.45Å
1014	Q	89.1	Confident	93.4	Very high	95 Å²	95	31.5 Å²	31.5	44%	0.444	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-29.9	174.4	-63.3	78.4	18.9	0	0	112.6	T982 T1011 F1012 K1016	T982-Q1014 HydrophobicContact CG2-CB 4.06Å; T982-Q1014 HydrophobicContact CG2-CG 4.06Å; T1011-Q1014 VanDerWaalsContact C-OE1 3.28Å; T1011-Q1014 PolarHBondContact O-N 3.48Å; T1011-Q1014 VanDerWaalsContact O-N 3.13Å; T1011-Q1014 PolarHBondContact O-OE1 2.99Å; F1012-Q1014 PolarHBondContact O-N 3.26Å; Q1014-K1016 PolarHBondContact O-N 2.97Å
1015	L	90.8	Very high	93.2	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	18%	0.184	C	C	.	.			trans	-83.4	49.8	-175.8	-62.7	177.1	0	0	0	113	L987 T1011 F1012 S1017 L1018	L987-L1015 HydrophobicContact CD2-CD2 4.3Å; T1011-L1015 PolarHBondContact O-N 2.75Å; F1012-L1015 PolarHBondContact O-N 2.74Å; L1015-S1017 PolarHBondContact O-N 2.88Å; L1015-L1018 HydrophobicContact CB-CB 4.35Å; L1015-L1018 VanDerWaalsContact O-CB 3.27Å; L1015-L1018 WeakPolarHBondContact O-CB 3.25Å; L1015-L1018 PolarHBondContact O-N 3.07Å
1016	K	88.1	Confident	93.1	Very high	156 Å²	156	33.2 Å²	33.2	68%	0.678	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-9.6	-171.5	-62.5	-179.1	-178.5	178.4	0	115.8	P1013 Q1014 S1046	P1013-K1016 WeakPolarHBondContact O-CE 3.45Å; Q1014-K1016 PolarHBondContact O-N 2.97Å; K1016-S1046 WeakPolarHBondContact O-CB 3.26Å
1017	S	93.8	Very high	93	Very high	46 Å²	46	35.2 Å²	35.2	32%	0.322	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-2.2	176.5	-54.1	0	0	0	0	112.9	S985 L987 Q988 L1015 E1019	S985-S1017 WeakPolarHBondContact O-CB 3.46Å; S985-S1017 PolarHBondContact O-OG 2.84Å; L987-S1017 CarbonylContact O-C 3.42Å; L987-S1017 VanDerWaalsContact O-C 3.25Å; Q988-S1017 WeakPolarHBondContact CA-O 3.47Å; L1015-S1017 PolarHBondContact O-N 2.88Å; S1017-E1019 PolarHBondContact O-N 2.98Å
1018	L	96	Very high	93	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.179	C	C	.	.			trans	-73.2	112.6	-169.2	-165.4	71.2	0	0	0	111.7	L987 L990 L1015 L1021 L1043 S1046 L1047	L987-L1018 HydrophobicContact CD2-CD1 4.42Å; L987-L1018 HydrophobicContact CG-CD1 4.31Å; L987-L1018 WeakPolarHBondContact O-CA 3.37Å; L987-L1018 PolarHBondContact O-N 3.26Å; L990-L1018 HydrophobicContact CB-CD1 3.81Å; L1015-L1018 HydrophobicContact CB-CB 4.35Å; L1015-L1018 VanDerWaalsContact O-CB 3.27Å; L1015-L1018 WeakPolarHBondContact O-CB 3.25Å; L1015-L1018 PolarHBondContact O-N 3.07Å; L1018-L1021 HydrophobicContact CD2-CB 4.23Å; L1018-L1043 HydrophobicContact CB-CD2 4.48Å; L1018-L1043 HydrophobicContact CD2-CD1 4Å; L1018-S1046 CarbonylContact O-C 3.59Å; L1018-S1046 VanDerWaalsContact O-C 3.22Å; L1018-S1046 VanDerWaalsContact O-CB 3.28Å; L1018-S1046 WeakPolarHBondContact O-CB 3.34Å; L1018-S1046 PolarHBondContact O-OG 3.27Å; L1018-L1047 HydrophobicContact CG-CD1 4.44Å; L1018-L1047 WeakPolarHBondContact O-CA 3.41Å; L1018-L1047 PolarHBondContact O-N 3.49Å
1019	E	97	Very high	93	Very high	58 Å²	58	34.7 Å²	34.7	27%	0.271	19%	0.193	S	C	.	.			trans	-99.2	-32.5	-179.8	-71.2	166.2	-155.7	0	0	112.6	Q988 H989 S1017 S1046 L1048 R1049	Q988-E1019 PolarHBondContact NE2-OE1 2.98Å; Q988-E1019 WeakPolarHBondContact O-CA 3.19Å; Q988-E1019 PolarHBondContact O-N 3.44Å; H989-E1019 IonicContact CE1-OE2 2.73Å; S1017-E1019 PolarHBondContact O-N 2.98Å; E1019-S1046 WeakPolarHBondContact CA-O 3.33Å; E1019-L1048 HydrophobicContact CB-CD1 4.18Å; E1019-L1048 HydrophobicContact CB-CG 4.2Å; E1019-L1048 HydrophobicContact CG-CD1 4.13Å; E1019-L1048 HydrophobicContact CG-CG 4.31Å; E1019-L1048 WeakPolarHBondContact O-CA 3.38Å; E1019-L1048 WeakPolarHBondContact O-CB 3.33Å; E1019-L1048 PolarHBondContact O-N 3.5Å; E1019-R1049 PolarHBondContact O-N 3.09Å
1020	T	96.6	Very high	93.1	Very high	23 Å²	23	36.3 Å²	36.3	14%	0.141	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	126.3	177.6	-55.9	0	0	0	0	110.3	Q988 H989 L990 R1049	Q988-T1020 PolarHBondContact O-N 2.99Å; H989-T1020 WeakPolarHBondContact CA-O 3.1Å; H989-T1020 WeakPolarHBondContact ND1-CB 3.44Å; H989-T1020 PolarHBondContact ND1-OG1 3.41Å; H989-T1020 VanDerWaalsContact ND1-OG1 3.15Å; L990-T1020 PolarHBondContact N-O 2.85Å; T1020-R1049 WeakPolarHBondContact CA-O 2.95Å; T1020-R1049 HydrophobicContact CG2-CB 4.2Å
1021	L	96.6	Very high	93.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	113	167.6	177.7	57.9	0	0	0	109.1	L990 L1008 F1012 L1018 L1023 L1036 L1047 R1049 L1050 S1051	L990-L1021 HydrophobicContact CB-CD1 4.24Å; L990-L1021 HydrophobicContact CD2-CD1 4.06Å; L990-L1021 HydrophobicContact CG-CD1 4.28Å; L1008-L1021 HydrophobicContact CD2-CD1 4.18Å; F1012-L1021 HydrophobicContact CE1-CD2 3.97Å; F1012-L1021 HydrophobicContact CZ-CD2 3.61Å; L1018-L1021 HydrophobicContact CD2-CB 4.23Å; L1021-L1023 HydrophobicContact CD1-CD1 4.23Å; L1021-L1023 HydrophobicContact CD1-CG 4.06Å; L1021-L1023 HydrophobicContact CD2-CD1 3.78Å; L1021-L1023 HydrophobicContact CD2-CG 4.47Å; L1021-L1023 HydrophobicContact CG-CD1 3.93Å; L1021-L1023 HydrophobicContact CG-CG 4.11Å; L1021-L1036 HydrophobicContact CD2-CD1 4.37Å; L1021-L1047 HydrophobicContact CB-CD1 3.83Å; L1021-R1049 PolarHBondContact N-O 2.87Å; L1021-L1050 HydrophobicContact CB-CD1 4.24Å; L1021-L1050 HydrophobicContact CD2-CD1 4.1Å; L1021-L1050 HydrophobicContact CG-CD1 4.14Å; L1021-L1050 WeakPolarHBondContact O-CA 3.32Å; L1021-S1051 PolarHBondContact O-N 2.88Å; L1021-S1051 VanDerWaalsContact O-N 3.08Å
1022	N	94.4	Very high	93.4	Very high	20 Å²	20	37.3 Å²	37.3	11%	0.107	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.3	174.2	-164.6	-1.7	0	0	0	109.2	L990 D991 L992 D993 S1024 S1051	L990-N1022 PolarHBondContact O-N 3.22Å; D991-N1022 PolarHBondContact OD1-ND2 3.22Å; L992-N1022 VanDerWaalsContact CB-O 3.26Å; L992-N1022 WeakPolarHBondContact CB-O 3.47Å; L992-N1022 PolarHBondContact N-O 2.88Å; D993-N1022 HydrophobicContact CB-CB 4.41Å; D993-N1022 VanDerWaalsContact CB-CG 3.42Å; D993-N1022 WeakPolarHBondContact CB-ND2 3.3Å; D993-N1022 PolarHBondContact OD2-ND2 3.04Å; N1022-S1024 WeakPolarHBondContact OD1-CB 3.26Å; N1022-S1024 PolarHBondContact OD1-N 3.33Å; N1022-S1024 PolarHBondContact OD1-OG 2.96Å; N1022-S1051 WeakPolarHBondContact OD1-CB 3.38Å; N1022-S1051 PolarHBondContact OD1-OG 3.37Å
1023	L	94.1	Very high	93.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.			trans	-120.8	15.7	-174.6	-91.2	168.9	0	0	0	112.1	L992 V1005 L1008 L1021 N1026 I1028 L1036 S1051 L1052 N1055	L992-L1023 HydrophobicContact CD1-CD2 3.66Å; L992-L1023 HydrophobicContact CD1-CG 4.37Å; V1005-L1023 HydrophobicContact CG2-CD2 4.21Å; L1008-L1023 HydrophobicContact CD2-CD2 4.14Å; L1021-L1023 HydrophobicContact CD1-CD1 4.23Å; L1021-L1023 HydrophobicContact CD1-CG 4.06Å; L1021-L1023 HydrophobicContact CD2-CD1 3.78Å; L1021-L1023 HydrophobicContact CD2-CG 4.47Å; L1021-L1023 HydrophobicContact CG-CD1 3.93Å; L1021-L1023 HydrophobicContact CG-CG 4.11Å; L1023-N1026 PolarHBondContact O-ND2 3.45Å; L1023-I1028 HydrophobicContact CB-CD1 3.89Å; L1023-I1028 HydrophobicContact CD2-CD1 4.08Å; L1023-I1028 HydrophobicContact CG-CD1 4.42Å; L1023-I1028 WeakPolarHBondContact O-CD1 3.38Å; L1023-L1036 HydrophobicContact CD1-CD1 3.85Å; L1023-L1036 HydrophobicContact CD1-CD2 4.08Å; L1023-S1051 PolarHBondContact N-O 3.42Å; L1023-L1052 HydrophobicContact CB-CD2 3.66Å; L1023-L1052 HydrophobicContact CD1-CD2 4.18Å; L1023-N1055 PolarHBondContact O-ND2 2.86Å; L1023-N1055 VanDerWaalsContact O-ND2 3.14Å
1024	S	91.2	Very high	93.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.196	C	C	.	.			trans	-68.1	150	-173	-60.9	0	0	0	0	113	D993 N1022 N1026 S1051 L1052 Y1053	D993-S1024 VanDerWaalsContact OD1-CB 3.31Å; D993-S1024 WeakPolarHBondContact OD1-CB 3.5Å; N1022-S1024 WeakPolarHBondContact OD1-CB 3.26Å; N1022-S1024 PolarHBondContact OD1-N 3.33Å; N1022-S1024 PolarHBondContact OD1-OG 2.96Å; S1024-N1026 PolarHBondContact O-N 3.49Å; S1024-N1026 PolarHBondContact O-ND2 3.08Å; S1024-S1051 PolarHBondContact OG-OG 3.2Å; S1024-L1052 PolarHBondContact OG-N 3.21Å; S1024-Y1053 CarbonylContact C-O 3.08Å; S1024-Y1053 WeakPolarHBondContact CA-O 3.38Å; S1024-Y1053 VanDerWaalsContact CB-O 3.25Å; S1024-Y1053 WeakPolarHBondContact CB-O 3.22Å; S1024-Y1053 WeakPolarHBondContact OG-CB 3.35Å; S1024-Y1053 PolarHBondContact OG-N 2.85Å
1025	Q	89.1	Confident	94.1	Very high	41 Å²	41	38.2 Å²	38.2	19%	0.192	19%	0.189	C	C	.	.	S	Bend	trans	55.2	45	177.2	-61.4	177.7	93	0	0	114.7	D993 A994 Y1053 N1054	D993-Q1025 PolarHBondContact OD1-NE2 2.98Å; A994-Q1025 HydrophobicContact CB-CB 3.63Å; A994-Q1025 PolarHBondContact O-NE2 3.08Å; A994-Q1025 PolarHBondContact O-OE1 3.09Å; Q1025-Y1053 HydrophobicContact CG-CD1 4.28Å; Q1025-Y1053 PolarHBondContact N-O 3.22Å; Q1025-N1054 WeakPolarHBondContact CA-O 3.42Å; Q1025-N1054 HydrophobicContact CG-CB 3.79Å; Q1025-N1054 PolarHBondContact N-O 3.21Å
1026	N	90.9	Very high	94.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-120.5	11.2	-175.3	-88.9	-70.6	0	0	0	115.2	L992 N998 K999 I1000 G1001 L1023 S1024 I1028 N1055	L992-N1026 PolarHBondContact O-ND2 2.97Å; N998-N1026 VanDerWaalsContact CB-OD1 3.28Å; N998-N1026 WeakPolarHBondContact CB-OD1 3.37Å; K999-N1026 PolarHBondContact N-OD1 3.44Å; I1000-N1026 HydrophobicContact CB-CB 4.27Å; I1000-N1026 VanDerWaalsContact CB-OD1 3.31Å; I1000-N1026 WeakPolarHBondContact CB-OD1 3.23Å; I1000-N1026 VanDerWaalsContact CD1-OD1 3.27Å; I1000-N1026 WeakPolarHBondContact CD1-OD1 3.39Å; I1000-N1026 WeakPolarHBondContact CG1-OD1 3.45Å; I1000-N1026 PolarHBondContact N-O 3.32Å; I1000-N1026 PolarHBondContact N-OD1 3.4Å; G1001-N1026 WeakPolarHBondContact CA-O 3.43Å; G1001-N1026 PolarHBondContact N-O 2.88Å; L1023-N1026 PolarHBondContact O-ND2 3.45Å; S1024-N1026 PolarHBondContact O-N 3.49Å; S1024-N1026 PolarHBondContact O-ND2 3.08Å; N1026-I1028 VanDerWaalsContact C-N 3.28Å; N1026-I1028 HydrophobicContact CB-CD1 4.17Å; N1026-I1028 HydrophobicContact CB-CG1 4.01Å; N1026-I1028 PolarHBondContact O-N 3.37Å; N1026-N1055 PolarHBondContact N-OD1 3.17Å
1027	N	90.9	Very high	94.7	Very high	81 Å²	81	31.3 Å²	31.3	43%	0.433	16%	0.161	S	C	.	.			trans	58.5	36.3	-179.2	-63.5	38.9	0	0	0	113.1	N1055	N1027-N1055 PolarHBondContact N-OD1 3Å
1028	I	93.9	Very high	94.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.171	C	C	.	.			trans	-74.7	133.9	177	-53.6	173.4	0	0	0	109.2	V1005 L1023 N1026 L1052 N1055 C1056 I1057	V1005-I1028 HydrophobicContact CG2-CD1 3.65Å; V1005-I1028 HydrophobicContact CG2-CG1 3.75Å; V1005-I1028 HydrophobicContact CG2-CG2 4.28Å; L1023-I1028 HydrophobicContact CB-CD1 3.89Å; L1023-I1028 HydrophobicContact CD2-CD1 4.08Å; L1023-I1028 HydrophobicContact CG-CD1 4.42Å; L1023-I1028 WeakPolarHBondContact O-CD1 3.38Å; N1026-I1028 VanDerWaalsContact C-N 3.28Å; N1026-I1028 HydrophobicContact CB-CD1 4.17Å; N1026-I1028 HydrophobicContact CB-CG1 4.01Å; N1026-I1028 PolarHBondContact O-N 3.37Å; I1028-L1052 HydrophobicContact CD1-CD2 3.99Å; I1028-N1055 HydrophobicContact CB-CB 4.17Å; I1028-N1055 WeakPolarHBondContact CG1-OD1 3.35Å; I1028-N1055 PolarHBondContact N-OD1 3.47Å; I1028-C1056 CarbonylContact O-C 3.55Å; I1028-C1056 VanDerWaalsContact O-C 3.28Å; I1028-C1056 VanDerWaalsContact O-CA 3.26Å; I1028-C1056 WeakPolarHBondContact O-CA 3.41Å; I1028-C1056 WeakPolarHBondContact O-CB 3.34Å; I1028-C1056 PolarHBondContact O-N 3.43Å; I1028-I1057 HydrophobicContact CG2-CG1 4.49Å
1029	T	96.1	Very high	94.8	Very high	49 Å²	49	35.5 Å²	35.5	30%	0.301	18%	0.178	S	C	.	.	B	Isolated β-bridge	trans	-109.9	-175.3	177.3	81.1	0	0	0	0	111.6	D1002 L1031 G1032 A1033 C1056	D1002-T1029 VanDerWaalsContact CG-OG1 3.29Å; D1002-T1029 PolarHBondContact OD1-N 3.05Å; D1002-T1029 PolarHBondContact OD1-OG1 3.1Å; D1002-T1029 WeakPolarHBondContact OD2-CG2 3.39Å; D1002-T1029 PolarHBondContact OD2-OG1 3.14Å; T1029-L1031 PolarHBondContact O-N 3.49Å; T1029-L1031 VanDerWaalsContact O-N 3.15Å; T1029-L1031 PolarHBondContact OG1-N 3.2Å; T1029-G1032 PolarHBondContact O-N 3.46Å; T1029-G1032 VanDerWaalsContact O-N 3.16Å; T1029-A1033 WeakPolarHBondContact O-CB 3.36Å; T1029-A1033 PolarHBondContact O-N 3.47Å; T1029-C1056 HydrophobicContact CG2-CB 4.21Å
1030	D	96.3	Very high	94.7	Very high	42 Å²	42	32.9 Å²	32.9	23%	0.225	17%	0.166	C	C	.	.	H	α-helix	trans	-50.9	-32.2	170.2	-71.7	-15.6	0	0	0	113.6	Y1034 C1058 V1060 G1061	D1030-Y1034 VanDerWaalsContact O-CB 3.25Å; D1030-Y1034 WeakPolarHBondContact O-CB 3.45Å; D1030-Y1034 PolarHBondContact O-N 3.48Å; D1030-C1058 WeakPolarHBondContact OD1-CA 3.4Å; D1030-C1058 PolarHBondContact OD1-N 2.79Å; D1030-C1058 WeakPolarHBondContact OD2-CB 3.32Å; D1030-V1060 HydrophobicContact CB-CB 4.46Å; D1030-G1061 VanDerWaalsContact OD1-CA 3.28Å; D1030-G1061 WeakPolarHBondContact OD1-CA 3.45Å; D1030-G1061 PolarHBondContact OD1-N 2.99Å
1031	L	96.3	Very high	94.6	Very high	106 Å²	106	34.5 Å²	34.5	56%	0.555	18%	0.177	S	C	*	.	H	α-helix	trans	-69.2	-45.5	178.5	177.9	61.1	0	0	0	111.8	D1002 T1029 Y1034 K1035	D1002-L1031 HydrophobicContact CB-CB 4.33Å; D1002-L1031 HydrophobicContact CB-CD2 4.28Å; D1002-L1031 HydrophobicContact CB-CG 4.23Å; T1029-L1031 PolarHBondContact O-N 3.49Å; T1029-L1031 VanDerWaalsContact O-N 3.15Å; T1029-L1031 PolarHBondContact OG1-N 3.2Å; L1031-Y1034 PolarHBondContact O-N 2.68Å; L1031-K1035 WeakPolarHBondContact O-CG 3.29Å; L1031-K1035 PolarHBondContact O-N 3.29Å
1032	G	95.4	Very high	94.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-69.2	-38.9	175.2	0	0	0	0	0	112	D1002 V1005 T1029 Y1034 K1035 L1036	D1002-G1032 VanDerWaalsContact CG-N 3.32Å; D1002-G1032 WeakPolarHBondContact OD1-CA 3.31Å; D1002-G1032 PolarHBondContact OD1-N 2.97Å; V1005-G1032 WeakPolarHBondContact CG1-O 3.35Å; T1029-G1032 PolarHBondContact O-N 3.46Å; T1029-G1032 VanDerWaalsContact O-N 3.16Å; G1032-Y1034 PolarHBondContact O-N 3.46Å; G1032-K1035 PolarHBondContact O-N 3.1Å; G1032-L1036 VanDerWaalsContact O-CB 3.28Å; G1032-L1036 WeakPolarHBondContact O-CB 3.28Å; G1032-L1036 PolarHBondContact O-N 2.76Å
1033	A	96.4	Very high	94.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-41.3	173.6	0	0	0	0	0	112.2	T1029 A1037 I1057 L1065	T1029-A1033 WeakPolarHBondContact O-CB 3.36Å; T1029-A1033 PolarHBondContact O-N 3.47Å; A1033-A1037 WeakPolarHBondContact O-CB 3.15Å; A1033-A1037 PolarHBondContact O-N 3.26Å; A1033-I1057 HydrophobicContact CB-CD1 4.08Å; A1033-I1057 HydrophobicContact CB-CG1 4.16Å; A1033-I1057 HydrophobicContact CB-CG2 3.9Å; A1033-L1065 HydrophobicContact CB-CD1 4.3Å; A1033-L1065 HydrophobicContact CB-CG 4.4Å
1034	Y	96.4	Very high	94.3	Very high	113 Å²	113	36.8 Å²	36.8	44%	0.443	20%	0.196	S	C	.	.	H	α-helix	trans	-62.4	-46.6	172.2	175.6	-88.9	0	0	0	111.9	D1030 L1031 G1032 L1036 A1037 E1038	D1030-Y1034 VanDerWaalsContact O-CB 3.25Å; D1030-Y1034 WeakPolarHBondContact O-CB 3.45Å; D1030-Y1034 PolarHBondContact O-N 3.48Å; L1031-Y1034 PolarHBondContact O-N 2.68Å; G1032-Y1034 PolarHBondContact O-N 3.46Å; Y1034-L1036 VanDerWaalsContact C-N 3.34Å; Y1034-L1036 PolarHBondContact O-N 2.96Å; Y1034-A1037 PolarHBondContact O-N 3.44Å; Y1034-E1038 PolarHBondContact O-N 3.35Å
1035	K	96.4	Very high	94.4	Very high	66 Å²	66	40.9 Å²	40.9	29%	0.287	23%	0.229	S	C	.	.	H	α-helix	trans	-64.9	-37.2	178.9	-78	-73.3	152.2	-160.5	0	112.9	L1031 G1032 E1038 A1039	L1031-K1035 WeakPolarHBondContact O-CG 3.29Å; L1031-K1035 PolarHBondContact O-N 3.29Å; G1032-K1035 PolarHBondContact O-N 3.1Å; K1035-E1038 WeakPolarHBondContact CE-OE2 3.44Å; K1035-E1038 IonicContact NZ-OE1 3.96Å; K1035-E1038 IonicContact NZ-OE2 3.94Å; K1035-E1038 PolarHBondContact NZ-OE2 3.24Å; K1035-E1038 PolarHBondContact O-N 3.35Å; K1035-A1039 PolarHBondContact O-N 2.94Å
1036	L	95.9	Very high	94.7	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-63.6	-47.7	172.5	-172.3	69.8	0	0	0	110.6	V1005 F1012 L1021 L1023 G1032 Y1034 E1038 A1039 L1040 L1050 L1052 L1065	V1005-L1036 HydrophobicContact CG1-CB 3.93Å; V1005-L1036 HydrophobicContact CG1-CD1 4.24Å; F1012-L1036 HydrophobicContact CE2-CD1 3.76Å; F1012-L1036 HydrophobicContact CZ-CD1 3.69Å; L1021-L1036 HydrophobicContact CD2-CD1 4.37Å; L1023-L1036 HydrophobicContact CD1-CD1 3.85Å; L1023-L1036 HydrophobicContact CD1-CD2 4.08Å; G1032-L1036 VanDerWaalsContact O-CB 3.28Å; G1032-L1036 WeakPolarHBondContact O-CB 3.28Å; G1032-L1036 PolarHBondContact O-N 2.76Å; Y1034-L1036 VanDerWaalsContact C-N 3.34Å; Y1034-L1036 PolarHBondContact O-N 2.96Å; L1036-E1038 VanDerWaalsContact C-N 3.29Å; L1036-E1038 PolarHBondContact O-N 2.97Å; L1036-A1039 PolarHBondContact O-N 3.47Å; L1036-A1039 VanDerWaalsContact O-N 3.1Å; L1036-L1040 HydrophobicContact CD1-CG 4.42Å; L1036-L1040 HydrophobicContact CD2-CD1 4.39Å; L1036-L1040 HydrophobicContact CG-CD1 3.96Å; L1036-L1040 HydrophobicContact CG-CG 4.04Å; L1036-L1040 WeakPolarHBondContact O-CB 3.48Å; L1036-L1040 VanDerWaalsContact O-CG 3.3Å; L1036-L1040 WeakPolarHBondContact O-CG 3.18Å; L1036-L1040 PolarHBondContact O-N 3.26Å; L1036-L1050 HydrophobicContact CD2-CD1 4.46Å; L1036-L1052 HydrophobicContact CD2-CD1 3.99Å; L1036-L1052 HydrophobicContact CD2-CD2 3.83Å; L1036-L1052 HydrophobicContact CD2-CG 4.44Å; L1036-L1065 HydrophobicContact CD2-CD2 4.41Å
1037	A	95.6	Very high	95	Very high	11 Å²	11	39.9 Å²	39.9	9%	0.091	23%	0.227	C	C	.	.	H	α-helix	trans	-62.3	-32.3	178.3	0	0	0	0	0	113.7	A1033 Y1034 A1039 S1064 L1065 V1068	A1033-A1037 WeakPolarHBondContact O-CB 3.15Å; A1033-A1037 PolarHBondContact O-N 3.26Å; Y1034-A1037 PolarHBondContact O-N 3.44Å; A1037-A1039 VanDerWaalsContact C-N 3.3Å; A1037-A1039 PolarHBondContact O-N 2.83Å; A1037-S1064 WeakPolarHBondContact CB-O 3.21Å; A1037-L1065 HydrophobicContact CB-CD2 4.47Å; A1037-V1068 HydrophobicContact CB-CB 4.45Å; A1037-V1068 HydrophobicContact CB-CG1 3.83Å
1038	E	95.3	Very high	95.3	Very high	115 Å²	115	38.7 Å²	38.7	54%	0.537	22%	0.22	S	C	.	.	H	α-helix	trans	-65.3	-30.8	174.2	-170.2	178.5	-176.8	0	0	112.7	Y1034 K1035 L1036	Y1034-E1038 PolarHBondContact O-N 3.35Å; K1035-E1038 WeakPolarHBondContact CE-OE2 3.44Å; K1035-E1038 IonicContact NZ-OE1 3.96Å; K1035-E1038 IonicContact NZ-OE2 3.94Å; K1035-E1038 PolarHBondContact NZ-OE2 3.24Å; K1035-E1038 PolarHBondContact O-N 3.35Å; L1036-E1038 VanDerWaalsContact C-N 3.29Å; L1036-E1038 PolarHBondContact O-N 2.97Å
1039	A	95.4	Very high	95.4	Very high	19 Å²	19	41 Å²	41	16%	0.157	23%	0.229	C	C	.	.	H	α-helix	trans	-104.4	-24.9	-174.6	0	0	0	0	0	115.1	F1012 K1035 L1036 A1037 P1041 S1042	F1012-A1039 HydrophobicContact CD2-CB 3.75Å; F1012-A1039 HydrophobicContact CE2-CB 4.18Å; K1035-A1039 PolarHBondContact O-N 2.94Å; L1036-A1039 PolarHBondContact O-N 3.47Å; L1036-A1039 VanDerWaalsContact O-N 3.1Å; A1037-A1039 VanDerWaalsContact C-N 3.3Å; A1037-A1039 PolarHBondContact O-N 2.83Å; A1039-P1041 VanDerWaalsContact C-N 3.29Å; A1039-P1041 VanDerWaalsContact O-N 3.13Å; A1039-S1042 WeakPolarHBondContact O-CB 3.48Å; A1039-S1042 PolarHBondContact O-N 2.84Å; A1039-S1042 PolarHBondContact O-OG 3.39Å
1040	L	94.5	Very high	95.4	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.021	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-47.1	-37.8	-179.4	-89.6	171.5	0	0	0	115.1	L1036 S1042 L1043 A1044 L1047 L1050 L1065 V1068 M1072	L1036-L1040 HydrophobicContact CD1-CG 4.42Å; L1036-L1040 HydrophobicContact CD2-CD1 4.39Å; L1036-L1040 HydrophobicContact CG-CD1 3.96Å; L1036-L1040 HydrophobicContact CG-CG 4.04Å; L1036-L1040 WeakPolarHBondContact O-CB 3.48Å; L1036-L1040 VanDerWaalsContact O-CG 3.3Å; L1036-L1040 WeakPolarHBondContact O-CG 3.18Å; L1036-L1040 PolarHBondContact O-N 3.26Å; L1040-S1042 PolarHBondContact O-N 2.98Å; L1040-L1043 PolarHBondContact O-N 3.31Å; L1040-A1044 PolarHBondContact O-N 3.43Å; L1040-L1047 HydrophobicContact CD2-CD2 3.74Å; L1040-L1050 HydrophobicContact CD1-CD2 3.97Å; L1040-L1050 HydrophobicContact CD2-CD2 4.28Å; L1040-L1065 HydrophobicContact CD1-CD2 4.32Å; L1040-V1068 HydrophobicContact CD1-CG1 4.28Å; L1040-M1072 VanDerWaalsContact C-SD 3.56Å; L1040-M1072 HydrophobicContact CB-CE 4.36Å; L1040-M1072 HydrophobicContact CB-SD 3.88Å; L1040-M1072 HydrophobicContact CD2-CE 3.98Å
1041	P	94.6	Very high	95.4	Very high	57 Å²	57	37 Å²	37	37%	0.37	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-57.4	-22.6	178.3	-28.7	38	0	0	0	114.7	A1039 L1043 A1044 V1068	A1039-P1041 VanDerWaalsContact C-N 3.29Å; A1039-P1041 VanDerWaalsContact O-N 3.13Å; P1041-L1043 PolarHBondContact O-N 3.49Å; P1041-A1044 VanDerWaalsContact O-CB 3.28Å; P1041-A1044 WeakPolarHBondContact O-CB 3.43Å; P1041-A1044 PolarHBondContact O-N 3.47Å; P1041-V1068 HydrophobicContact CG-CG2 3.5Å; P1041-V1068 VanDerWaalsContact CG-CG2 3.5Å
1042	S	93.9	Very high	95.3	Very high	53 Å²	53	32 Å²	32	37%	0.371	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-70.2	-18	174.3	65.4	0	0	0	0	114	F1012 A1039 L1040	F1012-S1042 WeakPolarHBondContact CB-OG 3.09Å; A1039-S1042 WeakPolarHBondContact O-CB 3.48Å; A1039-S1042 PolarHBondContact O-N 2.84Å; A1039-S1042 PolarHBondContact O-OG 3.39Å; L1040-S1042 PolarHBondContact O-N 2.98Å
1043	L	94.1	Very high	95.2	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-104	1.9	173.4	-56.1	-179.7	0	0	0	113.3	F1012 L1018 L1040 P1041 A1045 S1046 L1047	F1012-L1043 HydrophobicContact CB-CD1 4.19Å; F1012-L1043 HydrophobicContact CB-CD2 3.85Å; F1012-L1043 HydrophobicContact CB-CG 3.83Å; F1012-L1043 HydrophobicContact CD1-CD1 3.8Å; F1012-L1043 HydrophobicContact CD1-CG 4.4Å; F1012-L1043 HydrophobicContact CD2-CD1 3.81Å; F1012-L1043 HydrophobicContact CD2-CG 4.09Å; F1012-L1043 HydrophobicContact CE1-CD1 4.03Å; F1012-L1043 HydrophobicContact CE2-CD1 4.07Å; F1012-L1043 HydrophobicContact CG-CD1 3.68Å; F1012-L1043 HydrophobicContact CG-CD2 4.25Å; F1012-L1043 HydrophobicContact CG-CG 3.88Å; F1012-L1043 HydrophobicContact CZ-CD1 4.18Å; F1012-L1043 WeakPolarHBondContact O-CD2 3.47Å; L1018-L1043 HydrophobicContact CB-CD2 4.48Å; L1018-L1043 HydrophobicContact CD2-CD1 4Å; L1040-L1043 PolarHBondContact O-N 3.31Å; P1041-L1043 PolarHBondContact O-N 3.49Å; L1043-A1045 PolarHBondContact O-N 3.28Å; L1043-S1046 PolarHBondContact O-N 2.85Å; L1043-S1046 PolarHBondContact O-OG 2.87Å; L1043-L1047 HydrophobicContact CB-CB 4.05Å; L1043-L1047 HydrophobicContact CD1-CD2 4.44Å; L1043-L1047 PolarHBondContact O-N 3.13Å
1044	A	92.4	Very high	94.9	Very high	14 Å²	14	36.3 Å²	36.3	12%	0.116	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-26.5	-171.1	0	0	0	0	0	115.1	L1040 P1041 D1071 M1072 V1073 S1074	L1040-A1044 PolarHBondContact O-N 3.43Å; P1041-A1044 VanDerWaalsContact O-CB 3.28Å; P1041-A1044 WeakPolarHBondContact O-CB 3.43Å; P1041-A1044 PolarHBondContact O-N 3.47Å; A1044-D1071 WeakPolarHBondContact CB-O 3.35Å; A1044-M1072 HydrophobicContact CB-SD 3.91Å; A1044-V1073 WeakPolarHBondContact O-CG2 3.49Å; A1044-V1073 PolarHBondContact O-N 2.82Å; A1044-S1074 WeakPolarHBondContact O-CB 3.4Å; A1044-S1074 PolarHBondContact O-N 3.36Å; A1044-S1074 PolarHBondContact O-OG 3.46Å
1045	A	92.3	Very high	94.8	Very high	85 Å²	85	31.1 Å²	31.1	70%	0.702	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-20.4	178.7	0	0	0	0	0	114.3	L1043 S1074	L1043-A1045 PolarHBondContact O-N 3.28Å; A1045-S1074 PolarHBondContact O-OG 3.48Å
1046	S	95	Very high	94.7	Very high	20 Å²	20	30 Å²	30	14%	0.14	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-37.6	-175.5	66.7	0	0	0	0	113.7	K1016 L1018 E1019 L1043 L1048	K1016-S1046 WeakPolarHBondContact O-CB 3.26Å; L1018-S1046 CarbonylContact O-C 3.59Å; L1018-S1046 VanDerWaalsContact O-C 3.22Å; L1018-S1046 VanDerWaalsContact O-CB 3.28Å; L1018-S1046 WeakPolarHBondContact O-CB 3.34Å; L1018-S1046 PolarHBondContact O-OG 3.27Å; E1019-S1046 WeakPolarHBondContact CA-O 3.33Å; L1043-S1046 PolarHBondContact O-N 2.85Å; L1043-S1046 PolarHBondContact O-OG 2.87Å; S1046-L1048 PolarHBondContact O-N 2.92Å
1047	L	96.8	Very high	94.7	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.182	C	C	.	.			trans	-72	115.5	-168.8	-164.8	70.2	0	0	0	111.3	L1018 L1021 L1040 L1043 L1050 M1072 S1074 L1075	L1018-L1047 HydrophobicContact CG-CD1 4.44Å; L1018-L1047 WeakPolarHBondContact O-CA 3.41Å; L1018-L1047 PolarHBondContact O-N 3.49Å; L1021-L1047 HydrophobicContact CB-CD1 3.83Å; L1040-L1047 HydrophobicContact CD2-CD2 3.74Å; L1043-L1047 HydrophobicContact CB-CB 4.05Å; L1043-L1047 HydrophobicContact CD1-CD2 4.44Å; L1043-L1047 PolarHBondContact O-N 3.13Å; L1047-L1050 HydrophobicContact CD2-CB 4.23Å; L1047-M1072 HydrophobicContact CB-CE 4.06Å; L1047-M1072 HydrophobicContact CD2-CE 3.91Å; L1047-S1074 CarbonylContact O-C 3.56Å; L1047-L1075 HydrophobicContact CD2-CD1 4.32Å; L1047-L1075 HydrophobicContact CG-CD1 4.25Å; L1047-L1075 VanDerWaalsContact O-CA 3.24Å; L1047-L1075 WeakPolarHBondContact O-CA 3.44Å; L1047-L1075 PolarHBondContact O-N 3.02Å; L1047-L1075 VanDerWaalsContact O-N 3.17Å
1048	L	97.3	Very high	94.7	Very high	56 Å²	56	31.7 Å²	31.7	29%	0.293	19%	0.192	S	C	.	.			trans	-96	-33.1	177.5	-55.3	-179.2	0	0	0	111.8	E1019 S1046 S1074 R1076 V1077	E1019-L1048 HydrophobicContact CB-CD1 4.18Å; E1019-L1048 HydrophobicContact CB-CG 4.2Å; E1019-L1048 HydrophobicContact CG-CD1 4.13Å; E1019-L1048 HydrophobicContact CG-CG 4.31Å; E1019-L1048 WeakPolarHBondContact O-CA 3.38Å; E1019-L1048 WeakPolarHBondContact O-CB 3.33Å; E1019-L1048 PolarHBondContact O-N 3.5Å; S1046-L1048 PolarHBondContact O-N 2.92Å; L1048-S1074 WeakPolarHBondContact CD2-O 3.06Å; L1048-R1076 WeakPolarHBondContact O-CA 3.21Å; L1048-R1076 WeakPolarHBondContact O-CB 3.19Å; L1048-R1076 PolarHBondContact O-N 2.99Å; L1048-V1077 PolarHBondContact O-N 3.13Å
1049	R	97	Very high	94.7	Very high	50 Å²	50	28.2 Å²	28.2	19%	0.189	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	130.1	-176.7	-56.3	-167.6	-178.4	98.9	-14.4	112.2	S109 E1019 T1020 L1021 V1077	S109-R1049 PolarHBondContact OG-NH2 2.98Å; E1019-R1049 PolarHBondContact O-N 3.09Å; T1020-R1049 WeakPolarHBondContact CA-O 2.95Å; T1020-R1049 HydrophobicContact CG2-CB 4.2Å; L1021-R1049 PolarHBondContact N-O 2.87Å; R1049-V1077 WeakPolarHBondContact CA-O 3.33Å; R1049-V1077 HydrophobicContact CB-CB 4.43Å; R1049-V1077 HydrophobicContact CG-CB 4.07Å; R1049-V1077 HydrophobicContact CG-CG2 4.28Å
1050	L	96.9	Very high	94.8	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	121.4	170.9	176.6	62.8	0	0	0	109.3	L1021 L1036 L1040 L1047 L1052 L1075 V1077 M1078 D1079	L1021-L1050 HydrophobicContact CB-CD1 4.24Å; L1021-L1050 HydrophobicContact CD2-CD1 4.1Å; L1021-L1050 HydrophobicContact CG-CD1 4.14Å; L1021-L1050 WeakPolarHBondContact O-CA 3.32Å; L1036-L1050 HydrophobicContact CD2-CD1 4.46Å; L1040-L1050 HydrophobicContact CD1-CD2 3.97Å; L1040-L1050 HydrophobicContact CD2-CD2 4.28Å; L1047-L1050 HydrophobicContact CD2-CB 4.23Å; L1050-L1052 HydrophobicContact CD1-CG 4.35Å; L1050-L1052 HydrophobicContact CD2-CD1 4.19Å; L1050-L1052 HydrophobicContact CG-CD1 4.35Å; L1050-L1052 HydrophobicContact CG-CG 4.34Å; L1050-L1075 HydrophobicContact CB-CD1 4.04Å; L1050-V1077 PolarHBondContact N-O 3.42Å; L1050-M1078 HydrophobicContact CD2-CE 4.17Å; L1050-M1078 CarbonylContact O-C 3.48Å; L1050-M1078 WeakPolarHBondContact O-CA 3.41Å; L1050-D1079 PolarHBondContact O-N 3.13Å
1051	S	95.4	Very high	94.8	Very high	5 Å²	5	31.3 Å²	31.3	4%	0.035	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.9	172.7	172.4	0	0	0	0	110.1	L1021 N1022 L1023 S1024 D1079	L1021-S1051 PolarHBondContact O-N 2.88Å; L1021-S1051 VanDerWaalsContact O-N 3.08Å; N1022-S1051 WeakPolarHBondContact OD1-CB 3.38Å; N1022-S1051 PolarHBondContact OD1-OG 3.37Å; L1023-S1051 PolarHBondContact N-O 3.42Å; S1024-S1051 PolarHBondContact OG-OG 3.2Å; S1051-D1079 VanDerWaalsContact CB-OD2 3.31Å; S1051-D1079 WeakPolarHBondContact CB-OD2 3.23Å; S1051-D1079 PolarHBondContact OG-OD2 2.98Å
1052	L	94.8	Very high	94.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.177	C	C	.	.			trans	-130.3	19.5	179.4	-68.6	166.4	0	0	0	110.8	L1023 S1024 I1028 L1036 L1050 N1055 I1057 L1065 M1078 D1079 V1080 N1083	L1023-L1052 HydrophobicContact CB-CD2 3.66Å; L1023-L1052 HydrophobicContact CD1-CD2 4.18Å; S1024-L1052 PolarHBondContact OG-N 3.21Å; I1028-L1052 HydrophobicContact CD1-CD2 3.99Å; L1036-L1052 HydrophobicContact CD2-CD1 3.99Å; L1036-L1052 HydrophobicContact CD2-CD2 3.83Å; L1036-L1052 HydrophobicContact CD2-CG 4.44Å; L1050-L1052 HydrophobicContact CD1-CG 4.35Å; L1050-L1052 HydrophobicContact CD2-CD1 4.19Å; L1050-L1052 HydrophobicContact CG-CD1 4.35Å; L1050-L1052 HydrophobicContact CG-CG 4.34Å; L1052-N1055 PolarHBondContact O-ND2 3.41Å; L1052-I1057 HydrophobicContact CB-CD1 4.23Å; L1052-I1057 HydrophobicContact CD1-CD1 4.16Å; L1052-L1065 HydrophobicContact CD1-CD1 3.79Å; L1052-L1065 HydrophobicContact CD1-CD2 4.21Å; L1052-M1078 HydrophobicContact CD1-CE 4.33Å; L1052-D1079 PolarHBondContact N-O 3.26Å; L1052-V1080 HydrophobicContact CB-CG1 4.24Å; L1052-V1080 HydrophobicContact CD1-CG1 4.19Å; L1052-N1083 PolarHBondContact O-ND2 3.34Å
1053	Y	92.4	Very high	95	Very high	19 Å²	19	29.9 Å²	29.9	8%	0.075	18%	0.177	C	C	.	.			trans	-46.2	137.7	179.8	173.5	-78.3	0	0	0	112.9	S1024 Q1025 N1055 D1079 Q1081 Y1082	S1024-Y1053 CarbonylContact C-O 3.08Å; S1024-Y1053 WeakPolarHBondContact CA-O 3.38Å; S1024-Y1053 VanDerWaalsContact CB-O 3.25Å; S1024-Y1053 WeakPolarHBondContact CB-O 3.22Å; S1024-Y1053 WeakPolarHBondContact OG-CB 3.35Å; S1024-Y1053 PolarHBondContact OG-N 2.85Å; Q1025-Y1053 HydrophobicContact CG-CD1 4.28Å; Q1025-Y1053 PolarHBondContact N-O 3.22Å; Y1053-N1055 PolarHBondContact O-ND2 3.41Å; Y1053-D1079 WeakPolarHBondContact CB-OD2 3.13Å; Y1053-Q1081 CarbonylContact C-O 3.59Å; Y1053-Q1081 WeakPolarHBondContact CA-O 3.26Å; Y1053-Q1081 HydrophobicContact CD2-CB 3.93Å; Y1053-Q1081 HydrophobicContact CE2-CB 4.44Å; Y1053-Y1082 AromaticContact CD2-CD2 3.79Å; Y1053-Y1082 HydrophobicContact CD2-CD2 3.79Å; Y1053-Y1082 HydrophobicContact CD2-CE2 4.39Å; Y1053-Y1082 HydrophobicContact CE1-CD2 4.45Å; Y1053-Y1082 AromaticContact CE2-CD2 3.22Å; Y1053-Y1082 HydrophobicContact CE2-CD2 3.22Å; Y1053-Y1082 AromaticContact CE2-CE2 3.48Å; Y1053-Y1082 HydrophobicContact CE2-CE2 3.48Å; Y1053-Y1082 VanDerWaalsContact CE2-CE2 3.48Å; Y1053-Y1082 HydrophobicContact CE2-CG 4.21Å; Y1053-Y1082 AromaticContact CZ-CD2 3.59Å; Y1053-Y1082 AromaticContact CZ-CE2 3.87Å
1054	N	91.2	Very high	95.2	Very high	72 Å²	72	30 Å²	30	39%	0.385	18%	0.178	S	C	.	.	S	Bend	trans	49.8	65.3	175.7	-170.3	16.8	0	0	0	112.9	Q1025 Q1081	Q1025-N1054 WeakPolarHBondContact CA-O 3.42Å; Q1025-N1054 HydrophobicContact CG-CB 3.79Å; Q1025-N1054 PolarHBondContact N-O 3.21Å; N1054-Q1081 PolarHBondContact N-O 3.14Å
1055	N	93.4	Very high	95.4	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.016	17%	0.173	C	C	.	.			trans	-125.9	-178.3	172.7	-82.9	-68.9	0	0	0	110.1	L1023 N1026 N1027 I1028 L1052 Y1053 I1057 N1083	L1023-N1055 PolarHBondContact O-ND2 2.86Å; L1023-N1055 VanDerWaalsContact O-ND2 3.14Å; N1026-N1055 PolarHBondContact N-OD1 3.17Å; N1027-N1055 PolarHBondContact N-OD1 3Å; I1028-N1055 HydrophobicContact CB-CB 4.17Å; I1028-N1055 WeakPolarHBondContact CG1-OD1 3.35Å; I1028-N1055 PolarHBondContact N-OD1 3.47Å; L1052-N1055 PolarHBondContact O-ND2 3.41Å; Y1053-N1055 PolarHBondContact O-ND2 3.41Å; N1055-I1057 HydrophobicContact CB-CD1 4.45Å; N1055-I1057 HydrophobicContact CB-CG1 4.24Å; N1055-N1083 WeakPolarHBondContact CA-OD1 3.32Å; N1055-N1083 WeakPolarHBondContact CB-OD1 3.41Å; N1055-N1083 PolarHBondContact N-OD1 3.24Å; N1055-N1083 WeakPolarHBondContact O-CA 3.38Å; N1055-N1083 PolarHBondContact O-OD1 3.21Å; N1055-N1083 VanDerWaalsContact O-OD1 3.12Å
1056	C	94	Very high	95.5	Very high	42 Å²	42	25.8 Å²	25.8	28%	0.284	14%	0.142	S	C	.	.	B	Isolated β-bridge	trans	-100	33.6	-177.9	-69.5	0	0	0	0	112.7	I1028 T1029 K1084	I1028-C1056 CarbonylContact O-C 3.55Å; I1028-C1056 VanDerWaalsContact O-C 3.28Å; I1028-C1056 VanDerWaalsContact O-CA 3.26Å; I1028-C1056 WeakPolarHBondContact O-CA 3.41Å; I1028-C1056 WeakPolarHBondContact O-CB 3.34Å; I1028-C1056 PolarHBondContact O-N 3.43Å; T1029-C1056 HydrophobicContact CG2-CB 4.21Å; C1056-K1084 HydrophobicContact CB-CD 4.45Å
1057	I	95.5	Very high	95.6	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.015	16%	0.159	C	C	.	.			trans	-79.9	126.5	-179.5	-52.8	174.1	0	0	0	109.4	I1028 A1033 L1052 N1055 L1065 N1083 K1084 F1085	I1028-I1057 HydrophobicContact CG2-CG1 4.49Å; A1033-I1057 HydrophobicContact CB-CD1 4.08Å; A1033-I1057 HydrophobicContact CB-CG1 4.16Å; A1033-I1057 HydrophobicContact CB-CG2 3.9Å; L1052-I1057 HydrophobicContact CB-CD1 4.23Å; L1052-I1057 HydrophobicContact CD1-CD1 4.16Å; N1055-I1057 HydrophobicContact CB-CD1 4.45Å; N1055-I1057 HydrophobicContact CB-CG1 4.24Å; I1057-L1065 HydrophobicContact CD1-CD1 4.26Å; I1057-L1065 HydrophobicContact CG2-CD1 4.5Å; I1057-N1083 HydrophobicContact CB-CB 4.3Å; I1057-N1083 WeakPolarHBondContact CB-OD1 3.44Å; I1057-N1083 VanDerWaalsContact CG1-OD1 3.24Å; I1057-N1083 WeakPolarHBondContact CG1-OD1 3.35Å; I1057-N1083 PolarHBondContact N-OD1 3.3Å; I1057-N1083 VanDerWaalsContact N-OD1 3.15Å; I1057-K1084 CarbonylContact O-C 3.25Å; I1057-K1084 WeakPolarHBondContact O-CA 3.24Å; I1057-K1084 PolarHBondContact O-N 3.47Å; I1057-F1085 PolarHBondContact O-N 3.15Å
1058	C	96	Very high	95.5	Very high	46 Å²	46	31.7 Å²	31.7	31%	0.311	16%	0.163	S	C	.	.			trans	-107.7	-168	179.4	-63.1	0	0	0	0	110.6	D1030 V1060 G1061 A1062	D1030-C1058 WeakPolarHBondContact OD1-CA 3.4Å; D1030-C1058 PolarHBondContact OD1-N 2.79Å; D1030-C1058 WeakPolarHBondContact OD2-CB 3.32Å; C1058-V1060 VanDerWaalsContact C-N 3.25Å; C1058-V1060 PolarHBondContact O-N 3.47Å; C1058-G1061 PolarHBondContact O-N 3.08Å; C1058-A1062 WeakPolarHBondContact O-CB 3.49Å; C1058-A1062 PolarHBondContact O-N 3.04Å
1059	D	96.3	Very high	95.3	Very high	42 Å²	42	29.2 Å²	29.2	23%	0.225	15%	0.15	C	C	.	.	H	α-helix	trans	-60.6	-27.7	-173.3	-70.6	-34.4	0	0	0	114.4	E1063 F1085 T1086 G1089	D1059-E1063 PolarHBondContact O-N 2.69Å; D1059-F1085 WeakPolarHBondContact OD1-CB 3.35Å; D1059-T1086 PolarHBondContact OD1-N 3.12Å; D1059-T1086 PolarHBondContact OD1-OG1 3.3Å; D1059-T1086 WeakPolarHBondContact OD2-CB 3.5Å; D1059-T1086 WeakPolarHBondContact OD2-CG2 3.28Å; D1059-T1086 PolarHBondContact OD2-OG1 3.42Å; D1059-G1089 VanDerWaalsContact OD1-CA 3.25Å; D1059-G1089 WeakPolarHBondContact OD1-CA 3.24Å; D1059-G1089 PolarHBondContact OD1-N 3.36Å
1060	V	96.4	Very high	95.2	Very high	88 Å²	88	28 Å²	28	53%	0.533	15%	0.149	S	C	.	.	H	α-helix	trans	-80.8	-35.1	-178.8	-174.7	0	0	0	0	111.8	D1030 C1058 S1064	D1030-V1060 HydrophobicContact CB-CB 4.46Å; C1058-V1060 VanDerWaalsContact C-N 3.25Å; C1058-V1060 PolarHBondContact O-N 3.47Å; V1060-S1064 WeakPolarHBondContact O-CB 3.22Å; V1060-S1064 PolarHBondContact O-N 3.16Å; V1060-S1064 PolarHBondContact O-OG 3.33Å
1061	G	95.7	Very high	95	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-70.1	-39.6	169.3	0	0	0	0	0	111.5	D1030 C1058 S1064 L1065	D1030-G1061 VanDerWaalsContact OD1-CA 3.28Å; D1030-G1061 WeakPolarHBondContact OD1-CA 3.45Å; D1030-G1061 PolarHBondContact OD1-N 2.99Å; C1058-G1061 PolarHBondContact O-N 3.08Å; G1061-S1064 PolarHBondContact O-N 3.05Å; G1061-S1064 VanDerWaalsContact O-N 3.13Å; G1061-L1065 WeakPolarHBondContact O-CG 3.39Å; G1061-L1065 PolarHBondContact O-N 2.89Å
1062	A	96.1	Very high	95	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-61.2	-43.5	172.2	0	0	0	0	0	112.1	C1058 S1064 L1065 A1066 F1085 L1093	C1058-A1062 WeakPolarHBondContact O-CB 3.49Å; C1058-A1062 PolarHBondContact O-N 3.04Å; A1062-S1064 VanDerWaalsContact C-N 3.3Å; A1062-S1064 PolarHBondContact O-N 3.39Å; A1062-L1065 PolarHBondContact O-N 2.67Å; A1062-A1066 WeakPolarHBondContact O-CB 3.43Å; A1062-A1066 PolarHBondContact O-N 3.03Å; A1062-F1085 HydrophobicContact CB-CB 4.03Å; A1062-F1085 HydrophobicContact CB-CD1 4.39Å; A1062-F1085 HydrophobicContact CB-CG 4.17Å; A1062-L1093 HydrophobicContact CB-CD1 4.06Å; A1062-L1093 HydrophobicContact CB-CG 4.38Å
1063	E	96.9	Very high	94.9	Very high	78 Å²	78	36.5 Å²	36.5	36%	0.364	20%	0.196	S	C	.	.	H	α-helix	trans	-56.6	-45.8	170.2	-178.3	-175.9	163.9	0	0	110.9	D1059 L1065 A1066 R1067	D1059-E1063 PolarHBondContact O-N 2.69Å; E1063-L1065 PolarHBondContact O-N 3.48Å; E1063-A1066 PolarHBondContact O-N 3.11Å; E1063-R1067 WeakPolarHBondContact O-CB 3.43Å; E1063-R1067 PolarHBondContact O-N 2.6Å; E1063-R1067 IonicContact OE1-CZ 3.12Å; E1063-R1067 IonicContact OE1-NE 4Å; E1063-R1067 IonicContact OE1-NH2 3.77Å; E1063-R1067 PolarHBondContact OE1-NH2 3.04Å; E1063-R1067 IonicContact OE2-NH2 2.84Å
1064	S	97.1	Very high	95	Very high	5 Å²	5	36.8 Å²	36.8	4%	0.035	20%	0.201	C	C	.	.	H	α-helix	trans	-66.8	-39.6	-174.8	-62.3	0	0	0	0	112.7	A1037 V1060 G1061 A1062 R1067	A1037-S1064 WeakPolarHBondContact CB-O 3.21Å; V1060-S1064 WeakPolarHBondContact O-CB 3.22Å; V1060-S1064 PolarHBondContact O-N 3.16Å; V1060-S1064 PolarHBondContact O-OG 3.33Å; G1061-S1064 PolarHBondContact O-N 3.05Å; G1061-S1064 VanDerWaalsContact O-N 3.13Å; A1062-S1064 VanDerWaalsContact C-N 3.3Å; A1062-S1064 PolarHBondContact O-N 3.39Å; S1064-R1067 PolarHBondContact O-N 2.91Å; S1064-R1067 PolarHBondContact OG-NH1 3.23Å
1065	L	96.5	Very high	95.2	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.016	18%	0.183	C	C	.	.	H	α-helix	trans	-66.9	-44.7	170.9	-68.3	170	0	0	0	111.8	A1033 L1036 A1037 L1040 L1052 I1057 G1061 A1062 E1063 R1067 V1068 L1069 M1078 V1080 L1093	A1033-L1065 HydrophobicContact CB-CD1 4.3Å; A1033-L1065 HydrophobicContact CB-CG 4.4Å; L1036-L1065 HydrophobicContact CD2-CD2 4.41Å; A1037-L1065 HydrophobicContact CB-CD2 4.47Å; L1040-L1065 HydrophobicContact CD1-CD2 4.32Å; L1052-L1065 HydrophobicContact CD1-CD1 3.79Å; L1052-L1065 HydrophobicContact CD1-CD2 4.21Å; I1057-L1065 HydrophobicContact CD1-CD1 4.26Å; I1057-L1065 HydrophobicContact CG2-CD1 4.5Å; G1061-L1065 WeakPolarHBondContact O-CG 3.39Å; G1061-L1065 PolarHBondContact O-N 2.89Å; A1062-L1065 PolarHBondContact O-N 2.67Å; E1063-L1065 PolarHBondContact O-N 3.48Å; L1065-R1067 PolarHBondContact O-N 3.21Å; L1065-V1068 WeakPolarHBondContact O-CG1 3.46Å; L1065-V1068 PolarHBondContact O-N 2.9Å; L1065-L1069 PolarHBondContact O-N 3.43Å; L1065-L1069 VanDerWaalsContact O-N 3.1Å; L1065-M1078 HydrophobicContact CB-CE 4.04Å; L1065-M1078 HydrophobicContact CD1-CE 4Å; L1065-M1078 HydrophobicContact CD2-CE 4.2Å; L1065-M1078 HydrophobicContact CG-CE 4.31Å; L1065-V1080 HydrophobicContact CD1-CG1 4.4Å; L1065-L1093 HydrophobicContact CB-CD2 4.35Å
1066	A	95.4	Very high	95.4	Very high	7 Å²	7	37 Å²	37	6%	0.058	20%	0.196	C	C	.	.	H	α-helix	trans	-59	-35.5	175.9	0	0	0	0	0	112.2	A1062 E1063 V1068 Q1092 L1093 S1096	A1062-A1066 WeakPolarHBondContact O-CB 3.43Å; A1062-A1066 PolarHBondContact O-N 3.03Å; E1063-A1066 PolarHBondContact O-N 3.11Å; A1066-V1068 VanDerWaalsContact C-N 3.34Å; A1066-V1068 PolarHBondContact O-N 3.36Å; A1066-Q1092 HydrophobicContact CB-CB 4.31Å; A1066-L1093 HydrophobicContact CB-CD2 3.98Å; A1066-L1093 HydrophobicContact CB-CG 4.34Å; A1066-S1096 VanDerWaalsContact O-CB 3.23Å; A1066-S1096 WeakPolarHBondContact O-CB 3.17Å; A1066-S1096 PolarHBondContact O-OG 2.85Å
1067	R	95.6	Very high	95.5	Very high	131 Å²	131	36 Å²	36	49%	0.494	19%	0.189	S	C	.	.	H	α-helix	trans	-64.4	-35.6	-179.5	-161.6	-178.4	-58.5	111.7	-4.9	113	E1063 S1064 L1065	E1063-R1067 WeakPolarHBondContact O-CB 3.43Å; E1063-R1067 PolarHBondContact O-N 2.6Å; E1063-R1067 IonicContact OE1-CZ 3.12Å; E1063-R1067 IonicContact OE1-NE 4Å; E1063-R1067 IonicContact OE1-NH2 3.77Å; E1063-R1067 PolarHBondContact OE1-NH2 3.04Å; E1063-R1067 IonicContact OE2-NH2 2.84Å; S1064-R1067 PolarHBondContact O-N 2.91Å; S1064-R1067 PolarHBondContact OG-NH1 3.23Å; L1065-R1067 PolarHBondContact O-N 3.21Å
1068	V	95.6	Very high	95.5	Very high	12 Å²	12	36 Å²	36	7%	0.073	19%	0.189	C	C	.	.	H	α-helix	trans	-94.3	-21.1	-176.6	71.7	0	0	0	0	114	A1037 L1040 P1041 L1065 A1066 P1070 D1071	A1037-V1068 HydrophobicContact CB-CB 4.45Å; A1037-V1068 HydrophobicContact CB-CG1 3.83Å; L1040-V1068 HydrophobicContact CD1-CG1 4.28Å; P1041-V1068 HydrophobicContact CG-CG2 3.5Å; P1041-V1068 VanDerWaalsContact CG-CG2 3.5Å; L1065-V1068 WeakPolarHBondContact O-CG1 3.46Å; L1065-V1068 PolarHBondContact O-N 2.9Å; A1066-V1068 VanDerWaalsContact C-N 3.34Å; A1066-V1068 PolarHBondContact O-N 3.36Å; V1068-P1070 VanDerWaalsContact C-N 3.29Å; V1068-P1070 VanDerWaalsContact O-N 3.09Å; V1068-D1071 WeakPolarHBondContact O-CB 3.4Å; V1068-D1071 PolarHBondContact O-N 3.2Å
1069	L	93.2	Very high	95.5	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.026	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-47.6	-39	-178.1	-162.5	65.3	0	0	0	115.1	L1065 D1071 M1072 L1075 M1078 C1100	L1065-L1069 PolarHBondContact O-N 3.43Å; L1065-L1069 VanDerWaalsContact O-N 3.1Å; L1069-D1071 VanDerWaalsContact C-N 3.26Å; L1069-D1071 PolarHBondContact O-N 3.1Å; L1069-M1072 PolarHBondContact O-N 2.95Å; L1069-L1075 HydrophobicContact CD1-CD2 3.62Å; L1069-M1078 HydrophobicContact CD1-SD 3.51Å; L1069-M1078 VanDerWaalsContact CD1-SD 3.51Å; L1069-C1100 VanDerWaalsContact C-SG 3.54Å; L1069-C1100 VanDerWaalsContact CG-SG 3.59Å
1070	P	94.3	Very high	95.4	Very high	24 Å²	24	32 Å²	32	16%	0.156	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-68.7	-18.8	179.2	-20.9	35.4	0	0	0	114.9	V1068 S1096 R1099 C1100	V1068-P1070 VanDerWaalsContact C-N 3.29Å; V1068-P1070 VanDerWaalsContact O-N 3.09Å; P1070-S1096 WeakPolarHBondContact CD-OG 3.32Å; P1070-S1096 WeakPolarHBondContact CG-OG 3.47Å; P1070-R1099 HydrophobicContact CB-CB 4.13Å; P1070-R1099 HydrophobicContact CG-CB 4.05Å; P1070-C1100 VanDerWaalsContact CA-SG 3.6Å
1071	D	93.4	Very high	95.2	Very high	93 Å²	93	28.1 Å²	28.1	50%	0.497	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-84.9	-16.9	178.3	-59.5	-28.6	0	0	0	111.5	A1044 V1068 L1069 V1073	A1044-D1071 WeakPolarHBondContact CB-O 3.35Å; V1068-D1071 WeakPolarHBondContact O-CB 3.4Å; V1068-D1071 PolarHBondContact O-N 3.2Å; L1069-D1071 VanDerWaalsContact C-N 3.26Å; L1069-D1071 PolarHBondContact O-N 3.1Å; D1071-V1073 VanDerWaalsContact C-N 3.3Å; D1071-V1073 PolarHBondContact O-N 2.93Å
1072	M	94.6	Very high	95	Very high	8 Å²	8	29.6 Å²	29.6	4%	0.039	15%	0.146	C	C	.	.			trans	-82.5	64.4	-176.3	-63.9	-59.7	-64.6	0	0	112.6	L1040 A1044 L1047 L1069 S1074 L1075	L1040-M1072 VanDerWaalsContact C-SD 3.56Å; L1040-M1072 HydrophobicContact CB-CE 4.36Å; L1040-M1072 HydrophobicContact CB-SD 3.88Å; L1040-M1072 HydrophobicContact CD2-CE 3.98Å; A1044-M1072 HydrophobicContact CB-SD 3.91Å; L1047-M1072 HydrophobicContact CB-CE 4.06Å; L1047-M1072 HydrophobicContact CD2-CE 3.91Å; L1069-M1072 PolarHBondContact O-N 2.95Å; M1072-S1074 PolarHBondContact O-N 3.31Å; M1072-S1074 VanDerWaalsContact O-N 3.09Å; M1072-L1075 HydrophobicContact CB-CB 3.94Å; M1072-L1075 HydrophobicContact CB-CD2 4.27Å; M1072-L1075 WeakPolarHBondContact O-CB 3.18Å; M1072-L1075 PolarHBondContact O-N 3.23Å
1073	V	92.7	Very high	94.9	Very high	84 Å²	84	29.6 Å²	29.6	51%	0.509	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-27.8	-170.4	-62.9	0	0	0	0	115.9	A1044 D1071 H1102	A1044-V1073 WeakPolarHBondContact O-CG2 3.49Å; A1044-V1073 PolarHBondContact O-N 2.82Å; D1071-V1073 VanDerWaalsContact C-N 3.3Å; D1071-V1073 PolarHBondContact O-N 2.93Å; V1073-H1102 PolarHBondContact O-CD2 2.9Å
1074	S	94.8	Very high	94.8	Very high	25 Å²	25	28.5 Å²	28.5	18%	0.175	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-12.9	177.8	-70.1	0	0	0	0	114.5	A1044 A1045 L1047 L1048 M1072 R1076	A1044-S1074 WeakPolarHBondContact O-CB 3.4Å; A1044-S1074 PolarHBondContact O-N 3.36Å; A1044-S1074 PolarHBondContact O-OG 3.46Å; A1045-S1074 PolarHBondContact O-OG 3.48Å; L1047-S1074 CarbonylContact O-C 3.56Å; L1048-S1074 WeakPolarHBondContact CD2-O 3.06Å; M1072-S1074 PolarHBondContact O-N 3.31Å; M1072-S1074 VanDerWaalsContact O-N 3.09Å; S1074-R1076 PolarHBondContact O-N 3.14Å; S1074-R1076 PolarHBondContact O-NH1 3.22Å
1075	L	96.2	Very high	94.6	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.016	14%	0.139	C	C	.	.			trans	-68.3	129.3	-171.5	-166.7	70.8	0	0	0	112	L1047 L1050 L1069 M1072 M1078 H1102 V1103	L1047-L1075 HydrophobicContact CD2-CD1 4.32Å; L1047-L1075 HydrophobicContact CG-CD1 4.25Å; L1047-L1075 VanDerWaalsContact O-CA 3.24Å; L1047-L1075 WeakPolarHBondContact O-CA 3.44Å; L1047-L1075 PolarHBondContact O-N 3.02Å; L1047-L1075 VanDerWaalsContact O-N 3.17Å; L1050-L1075 HydrophobicContact CB-CD1 4.04Å; L1069-L1075 HydrophobicContact CD1-CD2 3.62Å; M1072-L1075 HydrophobicContact CB-CB 3.94Å; M1072-L1075 HydrophobicContact CB-CD2 4.27Å; M1072-L1075 WeakPolarHBondContact O-CB 3.18Å; M1072-L1075 PolarHBondContact O-N 3.23Å; L1075-M1078 HydrophobicContact CD2-CB 4.14Å; L1075-M1078 HydrophobicContact CD2-SD 4.48Å; L1075-H1102 CarbonylContact O-C 3.59Å; L1075-H1102 VanDerWaalsContact O-C 3.3Å; L1075-V1103 WeakPolarHBondContact O-CA 3.24Å; L1075-V1103 PolarHBondContact O-N 2.92Å
1076	R	96.5	Very high	94.5	Very high	77 Å²	77	30.4 Å²	30.4	29%	0.291	15%	0.152	S	C	.	.			trans	-110.3	-48.9	179.8	-60.4	-47.4	-159.9	-103	10	112.5	L1048 S1074 H1102 E1104 T1105	L1048-R1076 WeakPolarHBondContact O-CA 3.21Å; L1048-R1076 WeakPolarHBondContact O-CB 3.19Å; L1048-R1076 PolarHBondContact O-N 2.99Å; S1074-R1076 PolarHBondContact O-N 3.14Å; S1074-R1076 PolarHBondContact O-NH1 3.22Å; R1076-H1102 WeakPolarHBondContact CD-O 3.28Å; R1076-E1104 WeakPolarHBondContact CD-OE1 3.38Å; R1076-E1104 IonicContact NE-OE1 2.68Å; R1076-E1104 PolarHBondContact NE-OE1 3.21Å; R1076-E1104 PolarHBondContact O-N 2.77Å; R1076-T1105 PolarHBondContact O-N 2.82Å
1077	V	96.5	Very high	94.4	Very high	22 Å²	22	31.2 Å²	31.2	13%	0.133	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.7	179.4	-175.6	0	0	0	0	108.8	F106 L1048 R1049 L1050 T1105	F106-V1077 HydrophobicContact CE1-CG1 4.29Å; F106-V1077 HydrophobicContact CZ-CG1 4.11Å; L1048-V1077 PolarHBondContact O-N 3.13Å; R1049-V1077 WeakPolarHBondContact CA-O 3.33Å; R1049-V1077 HydrophobicContact CB-CB 4.43Å; R1049-V1077 HydrophobicContact CG-CB 4.07Å; R1049-V1077 HydrophobicContact CG-CG2 4.28Å; L1050-V1077 PolarHBondContact N-O 3.42Å; V1077-T1105 WeakPolarHBondContact CA-O 2.99Å
1078	M	96.2	Very high	94.3	Very high	3 Å²	3	27 Å²	27	2%	0.015	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.5	163	-177.2	166.7	-173	0	0	109	L1050 L1052 L1065 L1069 L1075 V1080 T1105 L1106 A1107	L1050-M1078 HydrophobicContact CD2-CE 4.17Å; L1050-M1078 CarbonylContact O-C 3.48Å; L1050-M1078 WeakPolarHBondContact O-CA 3.41Å; L1052-M1078 HydrophobicContact CD1-CE 4.33Å; L1065-M1078 HydrophobicContact CB-CE 4.04Å; L1065-M1078 HydrophobicContact CD1-CE 4Å; L1065-M1078 HydrophobicContact CD2-CE 4.2Å; L1065-M1078 HydrophobicContact CG-CE 4.31Å; L1069-M1078 HydrophobicContact CD1-SD 3.51Å; L1069-M1078 VanDerWaalsContact CD1-SD 3.51Å; L1075-M1078 HydrophobicContact CD2-CB 4.14Å; L1075-M1078 HydrophobicContact CD2-SD 4.48Å; M1078-V1080 HydrophobicContact CE-CG1 3.62Å; M1078-V1080 HydrophobicContact CG-CG1 4.43Å; M1078-T1105 PolarHBondContact N-O 3.06Å; M1078-L1106 HydrophobicContact CB-CD1 3.79Å; M1078-L1106 HydrophobicContact CG-CD1 3.84Å; M1078-L1106 CarbonylContact O-C 3.53Å; M1078-L1106 VanDerWaalsContact O-CA 3.29Å; M1078-L1106 WeakPolarHBondContact O-CA 3.15Å; M1078-L1106 HydrophobicContact SD-CD1 4.22Å; M1078-A1107 PolarHBondContact O-N 3.22Å
1079	D	95.2	Very high	94.2	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.2	176.3	151	43.7	0	0	0	109.3	F106 L1050 S1051 L1052 Y1053 Q1081 A1107	F106-D1079 HydrophobicContact CZ-CB 4.27Å; L1050-D1079 PolarHBondContact O-N 3.13Å; S1051-D1079 VanDerWaalsContact CB-OD2 3.31Å; S1051-D1079 WeakPolarHBondContact CB-OD2 3.23Å; S1051-D1079 PolarHBondContact OG-OD2 2.98Å; L1052-D1079 PolarHBondContact N-O 3.26Å; Y1053-D1079 WeakPolarHBondContact CB-OD2 3.13Å; D1079-Q1081 WeakPolarHBondContact OD1-CG 3.46Å; D1079-Q1081 PolarHBondContact OD1-N 2.84Å; D1079-A1107 HydrophobicContact CB-CB 4.12Å
1080	V	94.6	Very high	94.2	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.012	15%	0.147	C	C	.	.			trans	-134.9	25.2	176.5	-67.3	0	0	0	0	110.8	L1052 L1065 M1078 N1083 F1085 L1093 A1107 M1108	L1052-V1080 HydrophobicContact CB-CG1 4.24Å; L1052-V1080 HydrophobicContact CD1-CG1 4.19Å; L1065-V1080 HydrophobicContact CD1-CG1 4.4Å; M1078-V1080 HydrophobicContact CE-CG1 3.62Å; M1078-V1080 HydrophobicContact CG-CG1 4.43Å; V1080-N1083 PolarHBondContact O-ND2 3.2Å; V1080-N1083 VanDerWaalsContact O-ND2 3.08Å; V1080-F1085 HydrophobicContact CB-CE1 4.02Å; V1080-F1085 HydrophobicContact CB-CZ 4.4Å; V1080-F1085 HydrophobicContact CG2-CE1 3.86Å; V1080-F1085 HydrophobicContact CG2-CZ 3.75Å; V1080-F1085 WeakPolarHBondContact O-CE1 3.49Å; V1080-L1093 HydrophobicContact CG2-CD1 4.11Å; V1080-A1107 WeakPolarHBondContact CG2-O 3.19Å; V1080-A1107 PolarHBondContact N-O 3.32Å; V1080-M1108 HydrophobicContact CG2-CB 3.95Å
1081	Q	92.7	Very high	94.1	Very high	6 Å²	6	30.3 Å²	30.3	3%	0.028	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	160.1	-178.7	-61	-176.2	-112.7	0	0	111.7	Y1053 N1054 D1079 N1083 A1107 W1109 R1131	Y1053-Q1081 CarbonylContact C-O 3.59Å; Y1053-Q1081 WeakPolarHBondContact CA-O 3.26Å; Y1053-Q1081 HydrophobicContact CD2-CB 3.93Å; Y1053-Q1081 HydrophobicContact CE2-CB 4.44Å; N1054-Q1081 PolarHBondContact N-O 3.14Å; D1079-Q1081 WeakPolarHBondContact OD1-CG 3.46Å; D1079-Q1081 PolarHBondContact OD1-N 2.84Å; Q1081-N1083 PolarHBondContact O-N 3.06Å; Q1081-N1083 PolarHBondContact O-ND2 3.3Å; Q1081-A1107 HydrophobicContact CG-CB 3.76Å; Q1081-A1107 VanDerWaalsContact OE1-CB 3.23Å; Q1081-W1109 CarbonylContact C-O 3.34Å; Q1081-W1109 VanDerWaalsContact CA-O 3.23Å; Q1081-W1109 WeakPolarHBondContact CA-O 3.36Å; Q1081-W1109 HydrophobicContact CG-CB 4.28Å; Q1081-R1131 PolarHBondContact NE2-O 3.14Å
1082	Y	91.3	Very high	94.2	Very high	31 Å²	31	29 Å²	29	12%	0.122	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	21.3	176.9	-64.7	-94	0	0	0	115.3	Y95 Y1053 W1109	Y95-Y1082 HydrophobicContact CD1-CD1 4.49Å; Y95-Y1082 AromaticContact CD1-CE1 3.54Å; Y95-Y1082 HydrophobicContact CD1-CE1 3.54Å; Y95-Y1082 AromaticContact CE1-CE1 3.57Å; Y95-Y1082 HydrophobicContact CE1-CE1 3.57Å; Y95-Y1082 HydrophobicContact CG-CE1 4.41Å; Y1053-Y1082 AromaticContact CD2-CD2 3.79Å; Y1053-Y1082 HydrophobicContact CD2-CD2 3.79Å; Y1053-Y1082 HydrophobicContact CD2-CE2 4.39Å; Y1053-Y1082 HydrophobicContact CE1-CD2 4.45Å; Y1053-Y1082 AromaticContact CE2-CD2 3.22Å; Y1053-Y1082 HydrophobicContact CE2-CD2 3.22Å; Y1053-Y1082 AromaticContact CE2-CE2 3.48Å; Y1053-Y1082 HydrophobicContact CE2-CE2 3.48Å; Y1053-Y1082 VanDerWaalsContact CE2-CE2 3.48Å; Y1053-Y1082 HydrophobicContact CE2-CG 4.21Å; Y1053-Y1082 AromaticContact CZ-CD2 3.59Å; Y1053-Y1082 AromaticContact CZ-CE2 3.87Å; Y1082-W1109 HydrophobicContact CD1-CE3 4.26Å; Y1082-W1109 AromaticContact CD1-CZ3 3.81Å; Y1082-W1109 HydrophobicContact CD1-CZ3 3.81Å; Y1082-W1109 HydrophobicContact CD2-CE3 4.32Å; Y1082-W1109 AromaticContact CE1-CE3 3.9Å; Y1082-W1109 HydrophobicContact CE1-CE3 3.9Å; Y1082-W1109 HydrophobicContact CE1-CH2 4.29Å; Y1082-W1109 AromaticContact CE1-CZ3 3.34Å; Y1082-W1109 HydrophobicContact CE1-CZ3 3.34Å; Y1082-W1109 AromaticContact CE2-CE3 3.96Å; Y1082-W1109 HydrophobicContact CE2-CE3 3.96Å; Y1082-W1109 HydrophobicContact CE2-CZ3 4.25Å; Y1082-W1109 HydrophobicContact CG-CE3 4.46Å; Y1082-W1109 HydrophobicContact CG-CZ3 4.44Å; Y1082-W1109 AromaticContact CZ-CE3 3.72Å; Y1082-W1109 AromaticContact CZ-CZ3 3.58Å; Y1082-W1109 PolarHBondContact N-O 3.13Å
1083	N	93.9	Very high	94.2	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.154	C	C	.	.			trans	-90.4	174.6	173.2	-82.6	-91.1	0	0	0	112.1	L1052 N1055 I1057 V1080 Q1081 F1085 T1110	L1052-N1083 PolarHBondContact O-ND2 3.34Å; N1055-N1083 WeakPolarHBondContact CA-OD1 3.32Å; N1055-N1083 WeakPolarHBondContact CB-OD1 3.41Å; N1055-N1083 PolarHBondContact N-OD1 3.24Å; N1055-N1083 WeakPolarHBondContact O-CA 3.38Å; N1055-N1083 PolarHBondContact O-OD1 3.21Å; N1055-N1083 VanDerWaalsContact O-OD1 3.12Å; I1057-N1083 HydrophobicContact CB-CB 4.3Å; I1057-N1083 WeakPolarHBondContact CB-OD1 3.44Å; I1057-N1083 VanDerWaalsContact CG1-OD1 3.24Å; I1057-N1083 WeakPolarHBondContact CG1-OD1 3.35Å; I1057-N1083 PolarHBondContact N-OD1 3.3Å; I1057-N1083 VanDerWaalsContact N-OD1 3.15Å; V1080-N1083 PolarHBondContact O-ND2 3.2Å; V1080-N1083 VanDerWaalsContact O-ND2 3.08Å; Q1081-N1083 PolarHBondContact O-N 3.06Å; Q1081-N1083 PolarHBondContact O-ND2 3.3Å; N1083-F1085 HydrophobicContact CB-CD1 3.68Å; N1083-F1085 HydrophobicContact CB-CE1 3.64Å; N1083-T1110 VanDerWaalsContact O-CB 3.26Å; N1083-T1110 WeakPolarHBondContact O-CB 3.4Å; N1083-T1110 PolarHBondContact O-OG1 3.47Å
1084	K	93.6	Very high	94.2	Very high	56 Å²	56	25 Å²	25	24%	0.243	13%	0.131	C	C	.	.	S	Bend	trans	-100.9	14.5	-168.7	-59.4	-173.8	179.3	-175.6	0	114	E86 C1056 I1057	E86-K1084 IonicContact OE1-NZ 2.85Å; C1056-K1084 HydrophobicContact CB-CD 4.45Å; I1057-K1084 CarbonylContact O-C 3.25Å; I1057-K1084 WeakPolarHBondContact O-CA 3.24Å; I1057-K1084 PolarHBondContact O-N 3.47Å
1085	F	94.5	Very high	94.1	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.009	14%	0.144	C	C	.	.			trans	-77.8	151.2	175.7	62.2	-97.9	0	0	0	112.5	I1057 D1059 A1062 V1080 N1083 A1090 L1093 M1108 T1110 T1112 I1113	I1057-F1085 PolarHBondContact O-N 3.15Å; D1059-F1085 WeakPolarHBondContact OD1-CB 3.35Å; A1062-F1085 HydrophobicContact CB-CB 4.03Å; A1062-F1085 HydrophobicContact CB-CD1 4.39Å; A1062-F1085 HydrophobicContact CB-CG 4.17Å; V1080-F1085 HydrophobicContact CB-CE1 4.02Å; V1080-F1085 HydrophobicContact CB-CZ 4.4Å; V1080-F1085 HydrophobicContact CG2-CE1 3.86Å; V1080-F1085 HydrophobicContact CG2-CZ 3.75Å; V1080-F1085 WeakPolarHBondContact O-CE1 3.49Å; N1083-F1085 HydrophobicContact CB-CD1 3.68Å; N1083-F1085 HydrophobicContact CB-CE1 3.64Å; F1085-A1090 HydrophobicContact CD2-CB 4.23Å; F1085-A1090 HydrophobicContact CE2-CB 4.03Å; F1085-L1093 HydrophobicContact CE1-CD1 4.48Å; F1085-L1093 HydrophobicContact CE2-CD1 4.21Å; F1085-L1093 HydrophobicContact CZ-CD1 4.12Å; F1085-M1108 HydrophobicContact CE2-CB 4.45Å; F1085-M1108 HydrophobicContact CZ-CB 4.09Å; F1085-T1110 HydrophobicContact CD2-CG2 4.31Å; F1085-T1110 HydrophobicContact CE2-CG2 4.04Å; F1085-T1110 HydrophobicContact CZ-CG2 4.22Å; F1085-T1112 WeakPolarHBondContact O-CB 3.36Å; F1085-T1112 PolarHBondContact O-OG1 3.05Å; F1085-I1113 HydrophobicContact CD2-CD1 4.32Å; F1085-I1113 HydrophobicContact CE2-CD1 3.86Å
1086	T	94.2	Very high	94	Very high	45 Å²	45	26.8 Å²	26.8	28%	0.276	15%	0.148	S	C	.	.			trans	-95.8	-172.4	-176.3	76.1	0	0	0	0	111.4	D1059 A1088 G1089 A1090	D1059-T1086 PolarHBondContact OD1-N 3.12Å; D1059-T1086 PolarHBondContact OD1-OG1 3.3Å; D1059-T1086 WeakPolarHBondContact OD2-CB 3.5Å; D1059-T1086 WeakPolarHBondContact OD2-CG2 3.28Å; D1059-T1086 PolarHBondContact OD2-OG1 3.42Å; T1086-A1088 PolarHBondContact O-N 2.95Å; T1086-A1088 VanDerWaalsContact O-N 3.09Å; T1086-A1088 PolarHBondContact OG1-N 3.25Å; T1086-A1088 VanDerWaalsContact OG1-N 3.09Å; T1086-G1089 PolarHBondContact O-N 2.93Å; T1086-A1090 PolarHBondContact O-N 3.37Å; T1086-A1090 VanDerWaalsContact O-N 3.11Å
1087	A	92.4	Very high	93.9	Very high	24 Å²	24	23.1 Å²	23.1	20%	0.198	13%	0.134	C	C	.	.	H	α-helix	trans	-48.9	-29.4	165.9	0	0	0	0	0	113.6	Q1091 V1117	A1087-Q1091 WeakPolarHBondContact O-CB 3.44Å; A1087-Q1091 WeakPolarHBondContact O-CG 3.11Å; A1087-Q1091 PolarHBondContact O-N 2.96Å; A1087-V1117 HydrophobicContact CB-CG1 3.95Å
1088	A	93.4	Very high	93.5	Very high	44 Å²	44	29.8 Å²	29.8	36%	0.364	16%	0.157	S	C	.	.	H	α-helix	trans	-70.2	-48.8	179.9	0	0	0	0	0	112.7	T1086 Q1091 Q1092	T1086-A1088 PolarHBondContact O-N 2.95Å; T1086-A1088 VanDerWaalsContact O-N 3.09Å; T1086-A1088 PolarHBondContact OG1-N 3.25Å; T1086-A1088 VanDerWaalsContact OG1-N 3.09Å; A1088-Q1091 PolarHBondContact O-N 3.23Å; A1088-Q1092 WeakPolarHBondContact O-CG 3.46Å; A1088-Q1092 PolarHBondContact O-N 2.65Å; A1088-Q1092 PolarHBondContact O-NE2 2.69Å
1089	G	93.6	Very high	93.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.2	-40.1	175.1	0	0	0	0	0	112.3	D1059 T1086 Q1091 Q1092 L1093	D1059-G1089 VanDerWaalsContact OD1-CA 3.25Å; D1059-G1089 WeakPolarHBondContact OD1-CA 3.24Å; D1059-G1089 PolarHBondContact OD1-N 3.36Å; T1086-G1089 PolarHBondContact O-N 2.93Å; G1089-Q1091 PolarHBondContact O-N 2.85Å; G1089-Q1092 PolarHBondContact O-N 2.79Å; G1089-Q1092 VanDerWaalsContact O-N 3.17Å; G1089-L1093 WeakPolarHBondContact O-CG 3.17Å; G1089-L1093 PolarHBondContact O-N 3.46Å
1090	A	93.2	Very high	93.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60	-44.8	175.9	0	0	0	0	0	112.4	F1085 T1086 Q1092 L1093 A1094 M1108 I1113 L1121	F1085-A1090 HydrophobicContact CD2-CB 4.23Å; F1085-A1090 HydrophobicContact CE2-CB 4.03Å; T1086-A1090 PolarHBondContact O-N 3.37Å; T1086-A1090 VanDerWaalsContact O-N 3.11Å; A1090-Q1092 VanDerWaalsContact C-N 3.31Å; A1090-Q1092 PolarHBondContact O-N 2.91Å; A1090-L1093 PolarHBondContact O-N 2.89Å; A1090-A1094 WeakPolarHBondContact O-CB 3.18Å; A1090-A1094 PolarHBondContact O-N 3.01Å; A1090-M1108 HydrophobicContact CB-SD 4.1Å; A1090-I1113 HydrophobicContact CB-CD1 3.57Å; A1090-I1113 HydrophobicContact CB-CG1 4.05Å; A1090-L1121 HydrophobicContact CB-CD1 3.76Å
1091	Q	92.8	Very high	92.8	Very high	109 Å²	109	42.9 Å²	42.9	51%	0.509	22%	0.22	S	C	.	.	H	α-helix	trans	-62.9	-35	175.2	-77.5	173.1	18.9	0	0	112.8	A1087 A1088 G1089 A1095 L1121	A1087-Q1091 WeakPolarHBondContact O-CB 3.44Å; A1087-Q1091 WeakPolarHBondContact O-CG 3.11Å; A1087-Q1091 PolarHBondContact O-N 2.96Å; A1088-Q1091 PolarHBondContact O-N 3.23Å; G1089-Q1091 PolarHBondContact O-N 2.85Å; Q1091-A1095 WeakPolarHBondContact O-CB 3.41Å; Q1091-A1095 PolarHBondContact O-N 3.03Å; Q1091-L1121 HydrophobicContact CG-CD2 4.23Å
1092	Q	94.6	Very high	92.6	Very high	67 Å²	67	47 Å²	47	31%	0.313	24%	0.239	S	C	.	.	H	α-helix	trans	-70.7	-44	177.6	-70.1	176.3	76.5	0	0	112.2	A1066 A1088 G1089 A1090 A1095 S1096	A1066-Q1092 HydrophobicContact CB-CB 4.31Å; A1088-Q1092 WeakPolarHBondContact O-CG 3.46Å; A1088-Q1092 PolarHBondContact O-N 2.65Å; A1088-Q1092 PolarHBondContact O-NE2 2.69Å; G1089-Q1092 PolarHBondContact O-N 2.79Å; G1089-Q1092 VanDerWaalsContact O-N 3.17Å; A1090-Q1092 VanDerWaalsContact C-N 3.31Å; A1090-Q1092 PolarHBondContact O-N 2.91Å; Q1092-A1095 PolarHBondContact O-N 2.93Å; Q1092-S1096 PolarHBondContact O-N 3.43Å
1093	L	94.7	Very high	92.8	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-58.9	-48.6	172.9	-72.9	165.7	0	0	0	110.9	A1062 L1065 A1066 V1080 F1085 G1089 A1090 A1095 S1096 L1097 L1106 M1108	A1062-L1093 HydrophobicContact CB-CD1 4.06Å; A1062-L1093 HydrophobicContact CB-CG 4.38Å; L1065-L1093 HydrophobicContact CB-CD2 4.35Å; A1066-L1093 HydrophobicContact CB-CD2 3.98Å; A1066-L1093 HydrophobicContact CB-CG 4.34Å; V1080-L1093 HydrophobicContact CG2-CD1 4.11Å; F1085-L1093 HydrophobicContact CE1-CD1 4.48Å; F1085-L1093 HydrophobicContact CE2-CD1 4.21Å; F1085-L1093 HydrophobicContact CZ-CD1 4.12Å; G1089-L1093 WeakPolarHBondContact O-CG 3.17Å; G1089-L1093 PolarHBondContact O-N 3.46Å; A1090-L1093 PolarHBondContact O-N 2.89Å; L1093-A1095 PolarHBondContact O-N 3.49Å; L1093-S1096 PolarHBondContact O-N 3.06Å; L1093-L1097 WeakPolarHBondContact O-CB 3.25Å; L1093-L1097 PolarHBondContact O-N 3.16Å; L1093-L1106 HydrophobicContact CB-CD2 4.28Å; L1093-M1108 HydrophobicContact CB-CE 4.02Å
1094	A	93	Very high	92.8	Very high	5 Å²	5	51.3 Å²	51.3	4%	0.041	26%	0.261	C	S	.	.	H	α-helix	trans	-64.5	-37.4	176.7	0	0	0	0	0	113.4	A1090 S1096 L1097 M1108 L1121 I1128	A1090-A1094 WeakPolarHBondContact O-CB 3.18Å; A1090-A1094 PolarHBondContact O-N 3.01Å; A1094-S1096 VanDerWaalsContact C-N 3.32Å; A1094-S1096 PolarHBondContact O-N 2.87Å; A1094-L1097 PolarHBondContact O-N 2.92Å; A1094-M1108 HydrophobicContact CB-CE 4.49Å; A1094-L1121 HydrophobicContact CB-CD2 3.8Å; A1094-I1128 HydrophobicContact CB-CD1 3.68Å
1095	A	93.3	Very high	92.8	Very high	54 Å²	54	51 Å²	51	45%	0.446	26%	0.263	S	S	.	.	H	α-helix	trans	-66	-34.9	174.9	0	0	0	0	0	112.1	Q1091 Q1092 L1093	Q1091-A1095 WeakPolarHBondContact O-CB 3.41Å; Q1091-A1095 PolarHBondContact O-N 3.03Å; Q1092-A1095 PolarHBondContact O-N 2.93Å; L1093-A1095 PolarHBondContact O-N 3.49Å
1096	S	94.5	Very high	92.9	Very high	12 Å²	12	50.9 Å²	50.9	8%	0.084	26%	0.263	C	S	.	.	H	α-helix	trans	-75.8	-36.5	175.5	-161	0	0	0	0	112.9	A1066 P1070 Q1092 L1093 A1094 R1098 R1099 C1100	A1066-S1096 VanDerWaalsContact O-CB 3.23Å; A1066-S1096 WeakPolarHBondContact O-CB 3.17Å; A1066-S1096 PolarHBondContact O-OG 2.85Å; P1070-S1096 WeakPolarHBondContact CD-OG 3.32Å; P1070-S1096 WeakPolarHBondContact CG-OG 3.47Å; Q1092-S1096 PolarHBondContact O-N 3.43Å; L1093-S1096 PolarHBondContact O-N 3.06Å; A1094-S1096 VanDerWaalsContact C-N 3.32Å; A1094-S1096 PolarHBondContact O-N 2.87Å; S1096-R1098 PolarHBondContact O-N 3.3Å; S1096-R1098 VanDerWaalsContact O-N 3.07Å; S1096-R1099 WeakPolarHBondContact O-CA 3.46Å; S1096-R1099 WeakPolarHBondContact O-CB 3.17Å; S1096-R1099 PolarHBondContact O-N 3.19Å; S1096-C1100 PolarHBondContact O-SG 2.77Å
1097	L	93	Very high	92.8	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-52.8	-31.6	175.9	-179.7	63.3	0	0	0	113.1	L1093 A1094 R1099 C1100 V1103 L1106 D1125 R1127 I1128	L1093-L1097 WeakPolarHBondContact O-CB 3.25Å; L1093-L1097 PolarHBondContact O-N 3.16Å; A1094-L1097 PolarHBondContact O-N 2.92Å; L1097-R1099 PolarHBondContact O-N 3.15Å; L1097-C1100 PolarHBondContact O-N 2.64Å; L1097-V1103 HydrophobicContact CD1-CB 3.73Å; L1097-V1103 HydrophobicContact CD1-CG1 3.56Å; L1097-V1103 HydrophobicContact CD1-CG2 4.46Å; L1097-L1106 HydrophobicContact CB-CD2 4.1Å; L1097-L1106 HydrophobicContact CD1-CB 4.25Å; L1097-L1106 HydrophobicContact CD1-CD2 4.31Å; L1097-L1106 HydrophobicContact CD2-CB 4.03Å; L1097-L1106 HydrophobicContact CD2-CD2 3.9Å; L1097-L1106 HydrophobicContact CG-CD2 4.31Å; L1097-D1125 HydrophobicContact CD2-CB 4.27Å; L1097-R1127 HydrophobicContact CD2-CB 4.38Å; L1097-R1127 PolarHBondContact O-NH2 3.05Å; L1097-I1128 HydrophobicContact CD2-CD1 4.12Å; L1097-I1128 HydrophobicContact CD2-CG1 3.58Å
1098	R	89.9	Confident	92.8	Very high	163 Å²	163	47.9 Å²	47.9	62%	0.615	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.5	173.2	-61.8	175.1	-176.4	-177.9	1.5	114.3	S1096	S1096-R1098 PolarHBondContact O-N 3.3Å; S1096-R1098 VanDerWaalsContact O-N 3.07Å
1099	R	91.7	Very high	92.7	Very high	169 Å²	169	48.8 Å²	48.8	64%	0.638	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-2.2	174.5	-63.5	176.3	57.8	-159.9	-9.1	113	P1070 S1096 L1097 P1101	P1070-R1099 HydrophobicContact CB-CB 4.13Å; P1070-R1099 HydrophobicContact CG-CB 4.05Å; S1096-R1099 WeakPolarHBondContact O-CA 3.46Å; S1096-R1099 WeakPolarHBondContact O-CB 3.17Å; S1096-R1099 PolarHBondContact O-N 3.19Å; L1097-R1099 PolarHBondContact O-N 3.15Å; R1099-P1101 VanDerWaalsContact O-CD 3.23Å; R1099-P1101 WeakPolarHBondContact O-CD 3.46Å
1100	C	92.7	Very high	92.3	Very high	6 Å²	6	48.9 Å²	48.9	4%	0.041	24%	0.237	C	C	.	.			trans	-112.9	84.5	-171.7	-53.6	0	0	0	0	109.5	L1069 P1070 S1096 L1097 H1102 V1103 R1127	L1069-C1100 VanDerWaalsContact C-SG 3.54Å; L1069-C1100 VanDerWaalsContact CG-SG 3.59Å; P1070-C1100 VanDerWaalsContact CA-SG 3.6Å; S1096-C1100 PolarHBondContact O-SG 2.77Å; L1097-C1100 PolarHBondContact O-N 2.64Å; C1100-H1102 PolarHBondContact O-N 2.74Å; C1100-V1103 HydrophobicContact CB-CB 4.37Å; C1100-V1103 HydrophobicContact CB-CG2 3.87Å; C1100-R1127 PolarHBondContact O-NH1 3.31Å
1101	P	86.1	Confident	91.9	Very high	106 Å²	106	52.3 Å²	52.3	69%	0.688	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-8.7	-170.4	31.8	-38.4	0	0	0	114.3	R1099	R1099-P1101 VanDerWaalsContact O-CD 3.23Å; R1099-P1101 WeakPolarHBondContact O-CD 3.46Å
1102	H	89	Confident	91.7	Very high	92 Å²	92	48.6 Å²	48.6	43%	0.426	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-12.5	-177.2	-61.2	-42	0	0	0	113.8	V1073 L1075 R1076 C1100 E1104	V1073-H1102 PolarHBondContact O-CD2 2.9Å; L1075-H1102 CarbonylContact O-C 3.59Å; L1075-H1102 VanDerWaalsContact O-C 3.3Å; R1076-H1102 WeakPolarHBondContact CD-O 3.28Å; C1100-H1102 PolarHBondContact O-N 2.74Å; H1102-E1104 PolarHBondContact O-N 3.26Å
1103	V	93.8	Very high	91.4	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.03	23%	0.231	C	C	.	.			trans	-68.5	124.3	170.5	177.6	0	0	0	0	107.8	L1075 L1097 C1100 T1105 L1106 R1127	L1075-V1103 WeakPolarHBondContact O-CA 3.24Å; L1075-V1103 PolarHBondContact O-N 2.92Å; L1097-V1103 HydrophobicContact CD1-CB 3.73Å; L1097-V1103 HydrophobicContact CD1-CG1 3.56Å; L1097-V1103 HydrophobicContact CD1-CG2 4.46Å; C1100-V1103 HydrophobicContact CB-CB 4.37Å; C1100-V1103 HydrophobicContact CB-CG2 3.87Å; V1103-T1105 WeakPolarHBondContact CG1-O 3.47Å; V1103-L1106 HydrophobicContact CG1-CB 4.44Å; V1103-R1127 VanDerWaalsContact O-CD 3.25Å; V1103-R1127 WeakPolarHBondContact O-CD 3.46Å; V1103-R1127 PolarHBondContact O-NH1 3.19Å
1104	E	94.3	Very high	91.1	Very high	118 Å²	118	49 Å²	49	55%	0.551	25%	0.253	S	S	*	.			trans	-95.2	-38.9	-179.4	-70.8	161.6	-163.8	0	0	110.3	R1076 H1102 R1127	R1076-E1104 WeakPolarHBondContact CD-OE1 3.38Å; R1076-E1104 IonicContact NE-OE1 2.68Å; R1076-E1104 PolarHBondContact NE-OE1 3.21Å; R1076-E1104 PolarHBondContact O-N 2.77Å; H1102-E1104 PolarHBondContact O-N 3.26Å; E1104-R1127 WeakPolarHBondContact O-CB 3.43Å; E1104-R1127 WeakPolarHBondContact O-CG 3.4Å
1105	T	94.8	Very high	90.7	Very high	48 Å²	48	56 Å²	56	29%	0.294	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	129.9	178.6	-56.6	0	0	0	0	111.1	R1076 V1077 M1078 V1103 R1127	R1076-T1105 PolarHBondContact O-N 2.82Å; V1077-T1105 WeakPolarHBondContact CA-O 2.99Å; M1078-T1105 PolarHBondContact N-O 3.06Å; V1103-T1105 WeakPolarHBondContact CG1-O 3.47Å; T1105-R1127 CarbonylContact C-O 3.59Å; T1105-R1127 WeakPolarHBondContact CA-O 3.35Å
1106	L	95.2	Very high	90.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	99.4	166.3	177	58.4	0	0	0	109.4	M1078 L1093 L1097 V1103 M1108 R1127 I1128 S1129	M1078-L1106 HydrophobicContact CB-CD1 3.79Å; M1078-L1106 HydrophobicContact CG-CD1 3.84Å; M1078-L1106 CarbonylContact O-C 3.53Å; M1078-L1106 VanDerWaalsContact O-CA 3.29Å; M1078-L1106 WeakPolarHBondContact O-CA 3.15Å; M1078-L1106 HydrophobicContact SD-CD1 4.22Å; L1093-L1106 HydrophobicContact CB-CD2 4.28Å; L1097-L1106 HydrophobicContact CB-CD2 4.1Å; L1097-L1106 HydrophobicContact CD1-CB 4.25Å; L1097-L1106 HydrophobicContact CD1-CD2 4.31Å; L1097-L1106 HydrophobicContact CD2-CB 4.03Å; L1097-L1106 HydrophobicContact CD2-CD2 3.9Å; L1097-L1106 HydrophobicContact CG-CD2 4.31Å; V1103-L1106 HydrophobicContact CG1-CB 4.44Å; L1106-M1108 HydrophobicContact CD2-CE 3.36Å; L1106-M1108 HydrophobicContact CG-CE 3.66Å; L1106-R1127 PolarHBondContact N-O 3.41Å; L1106-I1128 CarbonylContact O-C 3.52Å; L1106-I1128 VanDerWaalsContact O-CA 3.32Å; L1106-I1128 WeakPolarHBondContact O-CA 3.5Å; L1106-S1129 PolarHBondContact O-N 3.16Å
1107	A	93.7	Very high	90.1	Very high	6 Å²	6	58.4 Å²	58.4	5%	0.05	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	122.4	-180	0	0	0	0	0	110.5	M1078 D1079 V1080 Q1081 S1129	M1078-A1107 PolarHBondContact O-N 3.22Å; D1079-A1107 HydrophobicContact CB-CB 4.12Å; V1080-A1107 WeakPolarHBondContact CG2-O 3.19Å; V1080-A1107 PolarHBondContact N-O 3.32Å; Q1081-A1107 HydrophobicContact CG-CB 3.76Å; Q1081-A1107 VanDerWaalsContact OE1-CB 3.23Å; A1107-S1129 WeakPolarHBondContact CA-O 3.38Å
1108	M	91.9	Very high	89.7	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	30%	0.297	C	S	.	.			trans	-143.4	19	-169.9	69.6	166.6	67.2	0	0	115.3	V1080 F1085 A1090 L1093 A1094 L1106 T1110 L1121 I1128 S1129 L1130	V1080-M1108 HydrophobicContact CG2-CB 3.95Å; F1085-M1108 HydrophobicContact CE2-CB 4.45Å; F1085-M1108 HydrophobicContact CZ-CB 4.09Å; A1090-M1108 HydrophobicContact CB-SD 4.1Å; L1093-M1108 HydrophobicContact CB-CE 4.02Å; A1094-M1108 HydrophobicContact CB-CE 4.49Å; L1106-M1108 HydrophobicContact CD2-CE 3.36Å; L1106-M1108 HydrophobicContact CG-CE 3.66Å; M1108-T1110 PolarHBondContact O-N 3.29Å; M1108-L1121 HydrophobicContact SD-CD1 4.31Å; M1108-I1128 HydrophobicContact CE-CD1 3.99Å; M1108-I1128 HydrophobicContact CE-CG1 4.16Å; M1108-I1128 HydrophobicContact CE-CG2 4.14Å; M1108-I1128 HydrophobicContact CG-CG2 3.8Å; M1108-I1128 HydrophobicContact SD-CG2 3.94Å; M1108-S1129 PolarHBondContact N-O 2.79Å; M1108-S1129 VanDerWaalsContact N-O 3.09Å; M1108-L1130 HydrophobicContact CG-CD2 4.21Å
1109	W	90.1	Very high	89.5	Confident	62 Å²	62	55.2 Å²	55.2	24%	0.235	29%	0.286	C	S	.	.			trans	-58.1	131.9	175.5	-170.5	91.3	0	0	0	112.1	Q1081 Y1082 Q1118	Q1081-W1109 CarbonylContact C-O 3.34Å; Q1081-W1109 VanDerWaalsContact CA-O 3.23Å; Q1081-W1109 WeakPolarHBondContact CA-O 3.36Å; Q1081-W1109 HydrophobicContact CG-CB 4.28Å; Y1082-W1109 HydrophobicContact CD1-CE3 4.26Å; Y1082-W1109 AromaticContact CD1-CZ3 3.81Å; Y1082-W1109 HydrophobicContact CD1-CZ3 3.81Å; Y1082-W1109 HydrophobicContact CD2-CE3 4.32Å; Y1082-W1109 AromaticContact CE1-CE3 3.9Å; Y1082-W1109 HydrophobicContact CE1-CE3 3.9Å; Y1082-W1109 HydrophobicContact CE1-CH2 4.29Å; Y1082-W1109 AromaticContact CE1-CZ3 3.34Å; Y1082-W1109 HydrophobicContact CE1-CZ3 3.34Å; Y1082-W1109 AromaticContact CE2-CE3 3.96Å; Y1082-W1109 HydrophobicContact CE2-CE3 3.96Å; Y1082-W1109 HydrophobicContact CE2-CZ3 4.25Å; Y1082-W1109 HydrophobicContact CG-CE3 4.46Å; Y1082-W1109 HydrophobicContact CG-CZ3 4.44Å; Y1082-W1109 AromaticContact CZ-CE3 3.72Å; Y1082-W1109 AromaticContact CZ-CZ3 3.58Å; Y1082-W1109 PolarHBondContact N-O 3.13Å; W1109-Q1118 VanDerWaalsContact CD1-OE1 3.29Å
1110	T	85.4	Confident	89.4	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.012	28%	0.278	C	S	.	.			trans	-156.9	146.1	168.9	166.6	0	0	0	0	110.8	N1083 F1085 M1108 T1112 I1113 Q1118	N1083-T1110 VanDerWaalsContact O-CB 3.26Å; N1083-T1110 WeakPolarHBondContact O-CB 3.4Å; N1083-T1110 PolarHBondContact O-OG1 3.47Å; F1085-T1110 HydrophobicContact CD2-CG2 4.31Å; F1085-T1110 HydrophobicContact CE2-CG2 4.04Å; F1085-T1110 HydrophobicContact CZ-CG2 4.22Å; M1108-T1110 PolarHBondContact O-N 3.29Å; T1110-T1112 PolarHBondContact O-N 2.78Å; T1110-T1112 VanDerWaalsContact O-N 3.1Å; T1110-T1112 PolarHBondContact OG1-N 3.24Å; T1110-T1112 PolarHBondContact OG1-OG1 2.68Å; T1110-I1113 HydrophobicContact CG2-CD1 3.44Å; T1110-I1113 VanDerWaalsContact CG2-CD1 3.44Å; T1110-I1113 HydrophobicContact CG2-CG1 3.74Å; T1110-I1113 PolarHBondContact O-N 3.09Å; T1110-Q1118 PolarHBondContact O-NE2 3.09Å
1111	P	86.4	Confident	89.2	Confident	72 Å²	72	51.9 Å²	51.9	47%	0.468	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-17.2	176.5	26.2	-37.8	0	0	0	114.5	I1113	P1111-I1113 VanDerWaalsContact C-N 3.32Å; P1111-I1113 PolarHBondContact O-N 2.77Å
1112	T	87.8	Confident	89.4	Confident	31 Å²	31	50.4 Å²	50.4	19%	0.19	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-2.5	178.3	40.7	0	0	0	0	114.7	F78 F1085 T1110	F78-T1112 HydrophobicContact CD1-CG2 4.19Å; F78-T1112 HydrophobicContact CE1-CG2 3.57Å; F78-T1112 HydrophobicContact CZ-CG2 4.36Å; F1085-T1112 WeakPolarHBondContact O-CB 3.36Å; F1085-T1112 PolarHBondContact O-OG1 3.05Å; T1110-T1112 PolarHBondContact O-N 2.78Å; T1110-T1112 VanDerWaalsContact O-N 3.1Å; T1110-T1112 PolarHBondContact OG1-N 3.24Å; T1110-T1112 PolarHBondContact OG1-OG1 2.68Å
1113	I	87.6	Confident	89.4	Confident	5 Å²	5	52.3 Å²	52.3	3%	0.026	27%	0.27	C	S	.	.	S	Bend	trans	-106.7	123.5	170.5	-54.1	156.1	0	0	0	108.9	F1085 A1090 T1110 P1111 F1115 V1117 Q1118	F1085-I1113 HydrophobicContact CD2-CD1 4.32Å; F1085-I1113 HydrophobicContact CE2-CD1 3.86Å; A1090-I1113 HydrophobicContact CB-CD1 3.57Å; A1090-I1113 HydrophobicContact CB-CG1 4.05Å; T1110-I1113 HydrophobicContact CG2-CD1 3.44Å; T1110-I1113 VanDerWaalsContact CG2-CD1 3.44Å; T1110-I1113 HydrophobicContact CG2-CG1 3.74Å; T1110-I1113 PolarHBondContact O-N 3.09Å; P1111-I1113 VanDerWaalsContact C-N 3.32Å; P1111-I1113 PolarHBondContact O-N 2.77Å; I1113-F1115 PolarHBondContact O-N 2.64Å; I1113-V1117 HydrophobicContact CG2-CB 3.86Å; I1113-V1117 HydrophobicContact CG2-CG1 3.88Å; I1113-Q1118 HydrophobicContact CB-CG 3.77Å; I1113-Q1118 HydrophobicContact CG2-CG 3.53Å; I1113-Q1118 PolarHBondContact O-NE2 3.04Å
1114	P	88.6	Confident	89.2	Confident	73 Å²	73	56.2 Å²	56.2	47%	0.474	29%	0.289	S	S	.	.			trans	-56.8	137.4	174.1	-24.6	34.1	0	0	0	112	S1116 V1117 Q1118	P1114-S1116 VanDerWaalsContact C-N 3.26Å; P1114-S1116 PolarHBondContact O-N 2.75Å; P1114-S1116 VanDerWaalsContact O-N 3.13Å; P1114-V1117 HydrophobicContact CB-CG2 4.3Å; P1114-V1117 HydrophobicContact CG-CG2 4.48Å; P1114-V1117 WeakPolarHBondContact O-CA 3.39Å; P1114-V1117 WeakPolarHBondContact O-CB 3.43Å; P1114-V1117 PolarHBondContact O-N 3.49Å; P1114-Q1118 PolarHBondContact O-N 3.05Å
1115	F	85.2	Confident	89	Confident	152 Å²	152	51.8 Å²	51.8	67%	0.667	27%	0.268	S	S	*	.	H	α-helix	trans	-50.6	-41.9	-175.6	179.7	-93.2	0	0	0	113.6	I1113 V1117 Q1118 E1119	I1113-F1115 PolarHBondContact O-N 2.64Å; F1115-V1117 VanDerWaalsContact C-N 3.27Å; F1115-V1117 PolarHBondContact O-N 2.87Å; F1115-Q1118 WeakPolarHBondContact O-CB 3.26Å; F1115-Q1118 PolarHBondContact O-N 3.47Å; F1115-Q1118 VanDerWaalsContact O-N 3.14Å; F1115-E1119 PolarHBondContact O-N 3.13Å
1116	S	86.4	Confident	88.8	Confident	81 Å²	81	54.9 Å²	54.9	57%	0.566	29%	0.292	S	S	*	.	H	α-helix	trans	-63.7	-28.5	177.1	52.9	0	0	0	0	114	P1114 H1120	P1114-S1116 VanDerWaalsContact C-N 3.26Å; P1114-S1116 PolarHBondContact O-N 2.75Å; P1114-S1116 VanDerWaalsContact O-N 3.13Å; S1116-H1120 VanDerWaalsContact O-CB 3.24Å; S1116-H1120 WeakPolarHBondContact O-CB 3.25Å; S1116-H1120 PolarHBondContact O-N 2.8Å
1117	V	87.7	Confident	88.7	Confident	34 Å²	34	57.8 Å²	57.8	21%	0.206	30%	0.303	C	S	.	.	H	α-helix	trans	-78.5	-39.6	172.6	-180	0	0	0	0	110.5	A1087 I1113 P1114 F1115 H1120 L1121	A1087-V1117 HydrophobicContact CB-CG1 3.95Å; I1113-V1117 HydrophobicContact CG2-CB 3.86Å; I1113-V1117 HydrophobicContact CG2-CG1 3.88Å; P1114-V1117 HydrophobicContact CB-CG2 4.3Å; P1114-V1117 HydrophobicContact CG-CG2 4.48Å; P1114-V1117 WeakPolarHBondContact O-CA 3.39Å; P1114-V1117 WeakPolarHBondContact O-CB 3.43Å; P1114-V1117 PolarHBondContact O-N 3.49Å; F1115-V1117 VanDerWaalsContact C-N 3.27Å; F1115-V1117 PolarHBondContact O-N 2.87Å; V1117-H1120 PolarHBondContact O-N 3.34Å; V1117-L1121 HydrophobicContact CG1-CD1 4.25Å; V1117-L1121 HydrophobicContact CG1-CG 4.49Å; V1117-L1121 VanDerWaalsContact O-CG 3.32Å; V1117-L1121 WeakPolarHBondContact O-CG 3.5Å; V1117-L1121 PolarHBondContact O-N 3.09Å
1118	Q	84.4	Confident	88.6	Confident	10 Å²	10	57.6 Å²	57.6	5%	0.047	30%	0.301	C	S	.	.	H	α-helix	trans	-57.7	-56.3	174.1	-60	-173	-5.1	0	0	110.4	W1109 T1110 I1113 P1114 F1115 H1120 L1121 Q1122 L1130	W1109-Q1118 VanDerWaalsContact CD1-OE1 3.29Å; T1110-Q1118 PolarHBondContact O-NE2 3.09Å; I1113-Q1118 HydrophobicContact CB-CG 3.77Å; I1113-Q1118 HydrophobicContact CG2-CG 3.53Å; I1113-Q1118 PolarHBondContact O-NE2 3.04Å; P1114-Q1118 PolarHBondContact O-N 3.05Å; F1115-Q1118 WeakPolarHBondContact O-CB 3.26Å; F1115-Q1118 PolarHBondContact O-N 3.47Å; F1115-Q1118 VanDerWaalsContact O-N 3.14Å; Q1118-H1120 VanDerWaalsContact C-N 3.3Å; Q1118-H1120 PolarHBondContact O-N 3.23Å; Q1118-L1121 PolarHBondContact O-N 3.1Å; Q1118-Q1122 PolarHBondContact O-N 2.71Å; Q1118-Q1122 VanDerWaalsContact O-N 3.08Å; Q1118-L1130 HydrophobicContact CB-CD1 3.82Å; Q1118-L1130 HydrophobicContact CB-CD2 4.03Å; Q1118-L1130 HydrophobicContact CG-CD2 4.41Å; Q1118-L1130 VanDerWaalsContact O-CD1 3.29Å; Q1118-L1130 WeakPolarHBondContact O-CD1 3.38Å
1119	E	85.8	Confident	88.4	Confident	86 Å²	86	59 Å²	59	40%	0.402	31%	0.312	S	S	.	.	H	α-helix	trans	-55.5	-45.3	178.9	-165.4	-164.7	164.2	0	0	111.4	F1115 L1121 Q1122 Q1123	F1115-E1119 PolarHBondContact O-N 3.13Å; E1119-L1121 VanDerWaalsContact C-N 3.33Å; E1119-L1121 PolarHBondContact O-N 3.12Å; E1119-Q1122 PolarHBondContact O-N 3.21Å; E1119-Q1123 WeakPolarHBondContact O-CG 3.49Å; E1119-Q1123 PolarHBondContact O-N 2.93Å; E1119-Q1123 PolarHBondContact OE1-NE2 3.16Å
1120	H	89.9	Confident	87.8	Confident	99 Å²	99	57.3 Å²	57.3	46%	0.458	31%	0.307	S	S	.	.	H	α-helix	trans	-62	-36.4	178.2	-173.5	60	0	0	0	113.3	S1116 V1117 Q1118 Q1123 Q1124	S1116-H1120 VanDerWaalsContact O-CB 3.24Å; S1116-H1120 WeakPolarHBondContact O-CB 3.25Å; S1116-H1120 PolarHBondContact O-N 2.8Å; V1117-H1120 PolarHBondContact O-N 3.34Å; Q1118-H1120 VanDerWaalsContact C-N 3.3Å; Q1118-H1120 PolarHBondContact O-N 3.23Å; H1120-Q1123 PolarHBondContact O-N 3.31Å; H1120-Q1124 PolarHBondContact CD2-NE2 3.13Å; H1120-Q1124 PolarHBondContact NE2-NE2 3.39Å; H1120-Q1124 WeakPolarHBondContact O-CG 3.46Å; H1120-Q1124 PolarHBondContact O-N 3.34Å; H1120-Q1124 VanDerWaalsContact O-N 3.1Å
1121	L	89.2	Confident	86.7	Confident	6 Å²	6	69.1 Å²	69.1	3%	0.031	35%	0.351	C	S	.	.	H	α-helix	trans	-67.8	-42.5	174.8	-70.6	173.4	0	0	0	111.6	A1090 Q1091 A1094 M1108 V1117 Q1118 E1119 Q1123 Q1124 D1125 I1128	A1090-L1121 HydrophobicContact CB-CD1 3.76Å; Q1091-L1121 HydrophobicContact CG-CD2 4.23Å; A1094-L1121 HydrophobicContact CB-CD2 3.8Å; M1108-L1121 HydrophobicContact SD-CD1 4.31Å; V1117-L1121 HydrophobicContact CG1-CD1 4.25Å; V1117-L1121 HydrophobicContact CG1-CG 4.49Å; V1117-L1121 VanDerWaalsContact O-CG 3.32Å; V1117-L1121 WeakPolarHBondContact O-CG 3.5Å; V1117-L1121 PolarHBondContact O-N 3.09Å; Q1118-L1121 PolarHBondContact O-N 3.1Å; E1119-L1121 VanDerWaalsContact C-N 3.33Å; E1119-L1121 PolarHBondContact O-N 3.12Å; L1121-Q1123 VanDerWaalsContact C-N 3.33Å; L1121-Q1123 PolarHBondContact O-N 3.36Å; L1121-Q1124 WeakPolarHBondContact O-CB 3.39Å; L1121-Q1124 PolarHBondContact O-N 3.08Å; L1121-D1125 PolarHBondContact O-N 2.91Å; L1121-I1128 HydrophobicContact CB-CD1 4.16Å
1122	Q	89.6	Confident	86.7	Confident	76 Å²	76	69 Å²	69	36%	0.355	35%	0.345	S	S	.	.	H	α-helix	trans	-67.4	-31.5	175.7	178.4	170.5	84.3	0	0	113	Q1118 E1119 Q1124 D1125 I1128 L1130	Q1118-Q1122 PolarHBondContact O-N 2.71Å; Q1118-Q1122 VanDerWaalsContact O-N 3.08Å; E1119-Q1122 PolarHBondContact O-N 3.21Å; Q1122-Q1124 VanDerWaalsContact C-N 3.31Å; Q1122-D1125 CarbonylContact O-C 3.48Å; Q1122-I1128 PolarHBondContact NE2-O 3.09Å; Q1122-L1130 HydrophobicContact CB-CD1 3.58Å; Q1122-L1130 HydrophobicContact CB-CG 4.47Å; Q1122-L1130 HydrophobicContact CG-CD1 4.36Å
1123	Q	89	Confident	86.6	Confident	131 Å²	131	71 Å²	71	61%	0.612	35%	0.354	S	S	*	.	H	α-helix	trans	-68.5	-27.5	169.4	-70.4	176.7	11.1	0	0	112.8	E1119 H1120 L1121	E1119-Q1123 WeakPolarHBondContact O-CG 3.49Å; E1119-Q1123 PolarHBondContact O-N 2.93Å; E1119-Q1123 PolarHBondContact OE1-NE2 3.16Å; H1120-Q1123 PolarHBondContact O-N 3.31Å; L1121-Q1123 VanDerWaalsContact C-N 3.33Å; L1121-Q1123 PolarHBondContact O-N 3.36Å
1124	Q	89.3	Confident	86.6	Confident	88 Å²	88	74.7 Å²	74.7	41%	0.411	37%	0.372	S	S	.	.	H	α-helix	trans	-80.3	-35.1	176.6	-76.2	-175.2	23.4	0	0	113.8	H1120 L1121 Q1122	H1120-Q1124 PolarHBondContact CD2-NE2 3.13Å; H1120-Q1124 PolarHBondContact NE2-NE2 3.39Å; H1120-Q1124 WeakPolarHBondContact O-CG 3.46Å; H1120-Q1124 PolarHBondContact O-N 3.34Å; H1120-Q1124 VanDerWaalsContact O-N 3.1Å; L1121-Q1124 WeakPolarHBondContact O-CB 3.39Å; L1121-Q1124 PolarHBondContact O-N 3.08Å; Q1122-Q1124 VanDerWaalsContact C-N 3.31Å
1125	D	90.6	Very high	86.4	Confident	24 Å²	24	74.8 Å²	74.8	13%	0.128	37%	0.366	C	S	.	.			trans	-144.3	109	175.8	-164.3	-35.8	0	0	0	109.7	L1097 L1121 Q1122 R1127 I1128	L1097-D1125 HydrophobicContact CD2-CB 4.27Å; L1121-D1125 PolarHBondContact O-N 2.91Å; Q1122-D1125 CarbonylContact O-C 3.48Å; D1125-R1127 PolarHBondContact O-N 3.06Å; D1125-R1127 WeakPolarHBondContact OD1-CB 3.46Å; D1125-R1127 WeakPolarHBondContact OD1-CG 3.23Å; D1125-R1127 IonicContact OD1-CZ 3.73Å; D1125-R1127 PolarHBondContact OD1-N 3.12Å; D1125-R1127 IonicContact OD1-NE 2.77Å; D1125-R1127 PolarHBondContact OD1-NE 2.88Å; D1125-R1127 IonicContact OD1-NH2 3.6Å; D1125-R1127 IonicContact OD2-CZ 3.55Å; D1125-R1127 IonicContact OD2-NE 3.58Å; D1125-R1127 PolarHBondContact OD2-NE 3.29Å; D1125-R1127 IonicContact OD2-NH2 2.7Å; D1125-R1127 PolarHBondContact OD2-NH2 2.87Å; D1125-I1128 HydrophobicContact CB-CD1 4.22Å; D1125-I1128 HydrophobicContact CB-CG1 4.33Å; D1125-I1128 WeakPolarHBondContact O-CB 3.37Å; D1125-I1128 PolarHBondContact O-N 3.43Å
1126	S	90.1	Very high	86.5	Confident	114 Å²	114	69.9 Å²	69.9	80%	0.797	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-2.1	-173.6	63	0	0	0	0	114.5	I1128	S1126-I1128 VanDerWaalsContact C-N 3.33Å
1127	R	93.7	Very high	86.5	Confident	60 Å²	60	69.2 Å²	69.2	23%	0.226	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-10.3	172.6	-58.9	178	-68.1	160.6	-3.5	112.6	L1097 C1100 V1103 E1104 T1105 L1106 D1125 S1129	L1097-R1127 HydrophobicContact CD2-CB 4.38Å; L1097-R1127 PolarHBondContact O-NH2 3.05Å; C1100-R1127 PolarHBondContact O-NH1 3.31Å; V1103-R1127 VanDerWaalsContact O-CD 3.25Å; V1103-R1127 WeakPolarHBondContact O-CD 3.46Å; V1103-R1127 PolarHBondContact O-NH1 3.19Å; E1104-R1127 WeakPolarHBondContact O-CB 3.43Å; E1104-R1127 WeakPolarHBondContact O-CG 3.4Å; T1105-R1127 CarbonylContact C-O 3.59Å; T1105-R1127 WeakPolarHBondContact CA-O 3.35Å; L1106-R1127 PolarHBondContact N-O 3.41Å; D1125-R1127 PolarHBondContact O-N 3.06Å; D1125-R1127 WeakPolarHBondContact OD1-CB 3.46Å; D1125-R1127 WeakPolarHBondContact OD1-CG 3.23Å; D1125-R1127 IonicContact OD1-CZ 3.73Å; D1125-R1127 PolarHBondContact OD1-N 3.12Å; D1125-R1127 IonicContact OD1-NE 2.77Å; D1125-R1127 PolarHBondContact OD1-NE 2.88Å; D1125-R1127 IonicContact OD1-NH2 3.6Å; D1125-R1127 IonicContact OD2-CZ 3.55Å; D1125-R1127 IonicContact OD2-NE 3.58Å; D1125-R1127 PolarHBondContact OD2-NE 3.29Å; D1125-R1127 IonicContact OD2-NH2 2.7Å; D1125-R1127 PolarHBondContact OD2-NH2 2.87Å; R1127-S1129 PolarHBondContact O-N 3.32Å
1128	I	92.2	Very high	86.4	Confident	2 Å²	2	71.7 Å²	71.7	1%	0.01	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	115.9	176.3	-66	179.2	0	0	0	109	A1094 L1097 L1106 M1108 L1121 Q1122 D1125 S1126 L1130	A1094-I1128 HydrophobicContact CB-CD1 3.68Å; L1097-I1128 HydrophobicContact CD2-CD1 4.12Å; L1097-I1128 HydrophobicContact CD2-CG1 3.58Å; L1106-I1128 CarbonylContact O-C 3.52Å; L1106-I1128 VanDerWaalsContact O-CA 3.32Å; L1106-I1128 WeakPolarHBondContact O-CA 3.5Å; M1108-I1128 HydrophobicContact CE-CD1 3.99Å; M1108-I1128 HydrophobicContact CE-CG1 4.16Å; M1108-I1128 HydrophobicContact CE-CG2 4.14Å; M1108-I1128 HydrophobicContact CG-CG2 3.8Å; M1108-I1128 HydrophobicContact SD-CG2 3.94Å; L1121-I1128 HydrophobicContact CB-CD1 4.16Å; Q1122-I1128 PolarHBondContact NE2-O 3.09Å; D1125-I1128 HydrophobicContact CB-CD1 4.22Å; D1125-I1128 HydrophobicContact CB-CG1 4.33Å; D1125-I1128 WeakPolarHBondContact O-CB 3.37Å; D1125-I1128 PolarHBondContact O-N 3.43Å; S1126-I1128 VanDerWaalsContact C-N 3.33Å; I1128-L1130 HydrophobicContact CG2-CD2 4.25Å; I1128-L1130 HydrophobicContact CG2-CG 4.24Å
1129	S	88.4	Confident	86.6	Confident	32 Å²	32	76.5 Å²	76.5	22%	0.224	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	141.2	174.1	-169.6	0	0	0	0	111.4	L1106 A1107 M1108 R1127	L1106-S1129 PolarHBondContact O-N 3.16Å; A1107-S1129 WeakPolarHBondContact CA-O 3.38Å; M1108-S1129 PolarHBondContact N-O 2.79Å; M1108-S1129 VanDerWaalsContact N-O 3.09Å; R1127-S1129 PolarHBondContact O-N 3.32Å
1130	L	77.3	Confident	86.6	Confident	25 Å²	25	75.7 Å²	75.7	13%	0.131	36%	0.361	C	S	.	.			trans	-139.4	21.1	-175.7	-61.5	171	0	0	0	111.5	M1108 Q1118 Q1122 I1128	M1108-L1130 HydrophobicContact CG-CD2 4.21Å; Q1118-L1130 HydrophobicContact CB-CD1 3.82Å; Q1118-L1130 HydrophobicContact CB-CD2 4.03Å; Q1118-L1130 HydrophobicContact CG-CD2 4.41Å; Q1118-L1130 VanDerWaalsContact O-CD1 3.29Å; Q1118-L1130 WeakPolarHBondContact O-CD1 3.38Å; Q1122-L1130 HydrophobicContact CB-CD1 3.58Å; Q1122-L1130 HydrophobicContact CB-CG 4.47Å; Q1122-L1130 HydrophobicContact CG-CD1 4.36Å; I1128-L1130 HydrophobicContact CG2-CD2 4.25Å; I1128-L1130 HydrophobicContact CG2-CG 4.24Å
1131	R	60.7	Low	86.4	Confident	251 Å²	251	73.5 Å²	73.5	95%	0.947	35%	0.352	S	S	*	.			trans	-101.1	0	-177.9	-68.9	-174.8	176.4	-176.1	-0.6	111.1	Q1081	Q1081-R1131 PolarHBondContact NE2-O 3.14Å

Retrieved 1,131 of 1,131 residues in 331.6 ms (Link to these results)

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