CMT2_MAIZE Loading...

DNA (cytosine-5)-methyltransferase 2

May be involved in the CpXpG methylation and in gene silencing.

AlphaFold DB , UniProt , Accession Q9ARI6, Species MAIZE (Zea mays, Maize), Gene ZMET5, Length 915 aa.

						>CMT2_MAIZE|Q9ARI6|ZMET5
MAPSSPSSARPTRASGRERSAMAEEIHQNQEEEEEVVAASTAKRRRKAASSGKKPKPTPKQAKPAVAGMKKKGETEKTEPVVDDVCAEEPDEEELAMGEEEAEAEEQAMQEVVAAVAAGSPGKKRVGRRSAAASGDHVPEFIGSPVGAAEAHSNWPKRYERSTAANKPEEDDELKARCHYRSAKVDNIVYCLGDDVYVKAGENEADYIGRITEFFEGTDRCHYFTCRWFFRAEDTVINSLVSINVDGHKHDPRRVFLSEEKNDNVLDCIISKVKIVHVDPNMDPKAKAQLIEHCDLYYDMSYSVAYSTFANISSENGQSGSETASGISSDDAGLETSSNMPERTATLLDLYSGCGGMSTGLCLGAALSGLKLETRWAVDLNSFACQSLKYNHPQTEVRNEKADEFLALLKEWAVLCEKYVHQDVDSNLAGSEDQEDADTLDKDEFVVQKLIGIRYDGTGRKKGVYFKVQWEEYGPEEDTWEPIDNLSDCPLKIREFVQEGRKRKILPLPGDVDVICGGPPCQGISGFNRFRNRDEPLKDEKNKQMVTFMDIVAYLKPKYVLMENVVDILKFADGYLGKYALSCLVAMKYQARLGMMVAGCYGLPQFRMRVFLWGALSSMVLPKYPLPTYDVVVRGGAPNAFSQCMVAYDETQRPSLKKALLLGDAFSDLPKVENHQPNDVMEYGGSPKTEFQRYIRLGRKDMLDWSFGEEAGPDEGKLLDHQPLRLNNDDYERVKQIPVKKGANFRDLKGVKVGANNVVEWDPEVERVYLSSGKPLVPDYAMSFIKGKSLKPFGRLWWDQTVPTVVTRAEPHNQVILHPTQARVLTIRENARLQGFPDYYRLFGPIKEKYIQVGNAVAVPVARALGYCLGQAYLGESDGSQPLYQLPASFTSVGRTAVQANAASVGTPAGEVVEQ
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.9	Very low	37.8	Very low	251 Å²	251	134.9 Å²	134.9	100%	1.236	83%	0.833	S	S	*	*				0	124	0	-73.3	-173.6	176.6	0	0	106.6
2	A	34.8	Very low	37.5	Very low	90 Å²	90	134.5 Å²	134.5	74%	0.744	83%	0.83	S	S	*	*			trans	-68.1	168.8	179.4	0	0	0	0	0	110.6
3	P	44.9	Very low	37.4	Very low	120 Å²	120	143.6 Å²	143.6	78%	0.779	84%	0.84	S	S	*	*			cis	-132.5	151.6	36.5	35.2	-15.2	0	0	0	113.9
4	S	39.4	Very low	37.2	Very low	95 Å²	95	139.6 Å²	139.6	66%	0.664	83%	0.831	S	S	*	*			cis	62.5	99.8	44.9	76.4	0	0	0	0	116.4
5	S	36	Very low	37	Very low	117 Å²	117	138.9 Å²	138.9	82%	0.818	84%	0.836	S	S	*	*			trans	83.6	158.8	148.5	-46.6	0	0	0	0	117
6	P	39.5	Very low	36.8	Very low	119 Å²	119	134.9 Å²	134.9	77%	0.773	83%	0.832	S	S	*	*			cis	-139.5	171.6	12.3	36.1	-14.5	0	0	0	116.9
7	S	37.4	Very low	36.5	Very low	120 Å²	120	141.4 Å²	141.4	84%	0.839	84%	0.838	S	S	*	*			trans	-60.7	139.7	165.1	58.4	0	0	0	0	112.5
8	S	41.6	Very low	36.4	Very low	122 Å²	122	143.8 Å²	143.8	85%	0.853	84%	0.839	S	S	*	*			trans	-110.8	145.6	166	66	0	0	0	0	111.5
9	A	38.4	Very low	36.3	Very low	94 Å²	94	149.2 Å²	149.2	78%	0.777	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-85.9	150.2	-163.3	0	0	0	0	0	113.3
10	R	28.6	Very low	36	Very low	233 Å²	233	147.7 Å²	147.7	88%	0.879	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-51.6	144.8	162.6	-91.1	177.5	165	-167.2	-4	112.4
11	P	39.5	Very low	35.8	Very low	123 Å²	123	145 Å²	145	80%	0.799	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-101.3	127.5	143.3	22	-5.8	0	0	0	110.4
12	T	33.6	Very low	35.8	Very low	130 Å²	130	142.5 Å²	142.5	80%	0.798	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-80.2	127.2	162.2	30	0	0	0	0	108.5
13	R	36.3	Very low	35.9	Very low	253 Å²	253	142.4 Å²	142.4	96%	0.955	83%	0.826	S	S	*	*			trans	-146.6	136.5	158.9	-139.3	175.7	-177.1	-179.6	0.2	110.6
14	A	34.6	Very low	35.4	Very low	87 Å²	87	144.9 Å²	144.9	72%	0.719	83%	0.828	S	S	*	*			trans	-96	162.9	-167.7	0	0	0	0	0	113
15	S	34.3	Very low	35.3	Very low	130 Å²	130	148.8 Å²	148.8	91%	0.909	84%	0.835	S	S	*	*			trans	88.1	134.8	152	77.1	0	0	0	0	120
16	G	33.6	Very low	35.5	Very low	75 Å²	75	149.9 Å²	149.9	77%	0.773	83%	0.83	S	S	*	*			trans	119.1	70.7	171.5	0	0	0	0	0	112.6
17	R	32.9	Very low	35.6	Very low	245 Å²	245	150.7 Å²	150.7	93%	0.925	82%	0.824	S	S	*	*				32.8	124.1	94.5	-102.8	-174.8	179.6	173.5	-0.9	116
18	E	34.4	Very low	35.7	Very low	184 Å²	184	152 Å²	152	86%	0.86	82%	0.817	S	S	*	*			trans	113	135.9	159.9	-66	-175.7	166.2	0	0	117.4
19	R	33.9	Very low	35.7	Very low	246 Å²	246	151.9 Å²	151.9	93%	0.928	81%	0.806	S	S	*	*			trans	84.7	92.3	-173.3	-51.8	178.6	-170.1	-160.7	2.5	113.5
20	S	31.1	Very low	35.8	Very low	120 Å²	120	153.1 Å²	153.1	84%	0.839	80%	0.796	S	S	*	*			cis	55.7	119.8	27.3	-160.5	0	0	0	0	115.9
21	A	31.1	Very low	36.4	Very low	92 Å²	92	149 Å²	149	76%	0.76	79%	0.787	S	S	*	*			trans	80.1	80.8	163.6	0	0	0	0	0	118.5
22	M	36.9	Very low	36.5	Very low	197 Å²	197	150.2 Å²	150.2	97%	0.97	78%	0.782	S	S	*	*	S	Bend	trans	-172.5	3.8	141.6	-119.6	171.3	161.7	0	0	116.3
23	A	35.7	Very low	37	Very low	89 Å²	89	150 Å²	150	74%	0.736	77%	0.772	S	S	*	*	S	Bend	trans	-114.8	9.9	-174.1	0	0	0	0	0	115.5
24	E	35.8	Very low	37.3	Very low	172 Å²	172	145 Å²	145	80%	0.804	76%	0.759	S	S	*	*	S	Bend	trans	-103.3	1.9	-177	-82.9	177.6	153.6	0	0	115
25	E	36.6	Very low	37.5	Very low	176 Å²	176	148.3 Å²	148.3	82%	0.822	76%	0.76	S	S	*	*	S	Bend	trans	-97.2	-3	180	-108.3	177.8	169.9	0	0	115.2
26	I	39.9	Very low	37.9	Very low	140 Å²	140	147.4 Å²	147.4	72%	0.718	75%	0.749	S	S	*	*	S	Bend	trans	-102	-14.2	179	-63.1	175.6	0	0	0	112
27	H	42.2	Very low	38.3	Very low	137 Å²	137	148.7 Å²	148.7	63%	0.634	74%	0.741	S	S	*	*	S	Bend	trans	-98.2	-5.4	-177	-102.2	-59.7	0	0	0	115.7
28	Q	39.2	Very low	38.6	Very low	148 Å²	148	140.1 Å²	140.1	69%	0.692	72%	0.722	S	S	*	*	S	Bend	trans	-97.6	-13.8	175.7	-83.8	176.8	-12.2	0	0	114.6
29	N	40.8	Very low	38.7	Very low	118 Å²	118	134.6 Å²	134.6	63%	0.631	71%	0.708	S	S	*	*	S	Bend	trans	-90.2	-0.4	175.8	-76.3	-16.3	0	0	0	114.2
30	Q	40.5	Very low	38.9	Very low	120 Å²	120	127.3 Å²	127.3	56%	0.561	70%	0.695	S	S	*	*	S	Bend	trans	-96.8	-18.1	176	-76.1	-174.8	-18.2	0	0	113.5
31	E	41.8	Very low	39.2	Very low	147 Å²	147	127.1 Å²	127.1	69%	0.687	69%	0.689	S	S	*	*	H	α-helix	trans	-85.9	-20.7	177.6	-71.4	-175.6	157.2	0	0	113.2
32	E	42	Very low	39.4	Very low	148 Å²	148	126.4 Å²	126.4	69%	0.692	68%	0.683	S	S	*	*	H	α-helix	trans	-85	-20.5	174.5	-73.6	-171.2	161	0	0	113.8
33	E	43.1	Very low	39.3	Very low	126 Å²	126	126.4 Å²	126.4	59%	0.589	68%	0.678	S	S	*	*	H	α-helix	trans	-82.1	-24.5	173.2	-76.7	-165.2	149.5	0	0	112.8
34	E	42.5	Very low	39.2	Very low	148 Å²	148	132.9 Å²	132.9	69%	0.692	68%	0.683	S	S	*	*	H	α-helix	trans	-77.1	-24.2	176.7	-76.6	-168.9	154.3	0	0	113.4	A38	E34-A38 WeakPolarHBondContact O-CB 3.21Å; E34-A38 PolarHBondContact O-N 3.19Å
35	E	39.2	Very low	38.9	Very low	156 Å²	156	135.7 Å²	135.7	73%	0.729	69%	0.686	S	S	*	*	H	α-helix	trans	-78	-23.6	178.9	-142.8	179.4	-177	0	0	113
36	V	42.3	Very low	38.7	Very low	112 Å²	112	139 Å²	139	68%	0.679	69%	0.691	S	S	*	*	H	α-helix	trans	-82.8	-28.4	177.4	-175.6	0	0	0	0	111.9
37	V	42	Very low	38.5	Very low	102 Å²	102	142.4 Å²	142.4	62%	0.618	70%	0.701	S	S	*	*	H	α-helix	trans	-81.4	-33.6	177.4	-178	0	0	0	0	111.6	A39 S40 T41	V37-A39 VanDerWaalsContact C-N 3.32Å; V37-A39 PolarHBondContact O-N 3.14Å; V37-S40 PolarHBondContact O-OG 3.41Å; V37-S40 VanDerWaalsContact O-OG 3.12Å; V37-T41 PolarHBondContact O-OG1 3.3Å
38	A	38.8	Very low	38.1	Very low	64 Å²	64	140.8 Å²	140.8	53%	0.529	71%	0.712	S	S	.	*	H	α-helix	trans	-71.1	-19.9	175.9	0	0	0	0	0	114.4	E34	E34-A38 WeakPolarHBondContact O-CB 3.21Å; E34-A38 PolarHBondContact O-N 3.19Å
39	A	36.9	Very low	37.8	Very low	68 Å²	68	138.7 Å²	138.7	56%	0.562	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-15.4	179.7	0	0	0	0	0	114.3	V37	V37-A39 VanDerWaalsContact C-N 3.32Å; V37-A39 PolarHBondContact O-N 3.14Å
40	S	38.1	Very low	37.6	Very low	93 Å²	93	138.1 Å²	138.1	65%	0.65	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-23.3	-177.8	71.5	0	0	0	0	113.8	V37	V37-S40 PolarHBondContact O-OG 3.41Å; V37-S40 VanDerWaalsContact O-OG 3.12Å
41	T	37.6	Very low	37.5	Very low	116 Å²	116	138.2 Å²	138.2	71%	0.712	74%	0.738	S	S	*	*	S	Bend	trans	-89.9	-10.7	-179	13.6	0	0	0	0	113.7	V37	V37-T41 PolarHBondContact O-OG1 3.3Å
42	A	35	Very low	37.1	Very low	78 Å²	78	134.9 Å²	134.9	65%	0.645	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	0.7	-175.9	0	0	0	0	0	115.7
43	K	34.9	Very low	36.7	Very low	197 Å²	197	137.8 Å²	137.8	86%	0.857	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	3	-177.4	-92.1	178.1	-180	169.9	0	116.6
44	R	33.8	Very low	36.4	Very low	224 Å²	224	141.6 Å²	141.6	85%	0.845	77%	0.768	S	S	*	*	S	Bend	trans	-115.5	51.7	172.8	-88.6	-176	168.6	-179	-1.7	112.8
45	R	30.5	Very low	36	Very low	231 Å²	231	140.3 Å²	140.3	87%	0.872	77%	0.773	S	S	*	*			trans	-150.3	85.9	166	-98.7	-177.9	170.5	178.4	-2.2	109.7
46	R	31.2	Very low	35.6	Very low	245 Å²	245	142.7 Å²	142.7	93%	0.925	78%	0.781	S	S	*	*			trans	-177	135.7	158.4	-102.1	158.6	-170	-168.9	5.2	110.5
47	K	35.3	Very low	35.4	Very low	212 Å²	212	143.3 Å²	143.3	92%	0.922	79%	0.788	S	S	*	*			trans	87.6	118.1	-173.4	-58	179.1	177.3	178.8	0	112
48	A	33.7	Very low	35.2	Very low	104 Å²	104	144.5 Å²	144.5	86%	0.86	80%	0.795	S	S	*	*			cis	-151.2	127.8	22.7	0	0	0	0	0	111.5
49	A	33.7	Very low	35.1	Very low	103 Å²	103	147.5 Å²	147.5	85%	0.851	81%	0.809	S	S	*	*			trans	-107.4	113.7	152.7	0	0	0	0	0	106.6
50	S	37.7	Very low	35.2	Very low	106 Å²	106	154.3 Å²	154.3	74%	0.741	83%	0.826	S	S	*	*			trans	167.1	133.6	134.2	73.2	0	0	0	0	112.5
51	S	37.2	Very low	35	Very low	122 Å²	122	159 Å²	159	85%	0.853	84%	0.838	S	S	*	*			trans	86.2	127.5	146.5	81	0	0	0	0	119.6
52	G	33.8	Very low	34.9	Very low	77 Å²	77	158.4 Å²	158.4	79%	0.794	85%	0.845	S	S	*	*			trans	131.8	68.7	149.2	0	0	0	0	0	117.8	K54	G52-K54 PolarHBondContact O-N 3.14Å
53	K	32.8	Very low	35.1	Very low	209 Å²	209	164.2 Å²	164.2	91%	0.909	86%	0.855	S	S	*	*			trans	-54.2	130.4	160.1	-84.8	176.6	171.7	175.3	0	110.8
54	K	37	Very low	35.1	Very low	206 Å²	206	160.8 Å²	160.8	90%	0.896	85%	0.853	S	S	*	*			trans	-176.5	159.2	141.5	-102	178	-179.3	-178.8	0	111.4	G52	G52-K54 PolarHBondContact O-N 3.14Å
55	P	35.3	Very low	35.3	Very low	121 Å²	121	154.6 Å²	154.6	79%	0.786	85%	0.85	S	S	*	*			trans	-109.4	163.5	-130.1	37.3	-26.2	0	0	0	115.5
56	K	30	Very low	35.7	Very low	206 Å²	206	150.7 Å²	150.7	90%	0.896	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-47.7	140.8	176.4	-81.9	177.8	170.2	177.8	0	114.4
57	P	38.3	Very low	35.8	Very low	126 Å²	126	143.9 Å²	143.9	82%	0.818	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-96.2	138.1	152.8	30.7	-18.9	0	0	0	111.7
58	T	37.9	Very low	35.8	Very low	127 Å²	127	137.2 Å²	137.2	78%	0.779	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-65.2	151.9	177.2	40.7	0	0	0	0	114.6
59	P	36.7	Very low	35.9	Very low	127 Å²	127	141.7 Å²	141.7	83%	0.825	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-78.7	132.6	175.3	32.2	-30.8	0	0	0	111.2
60	K	38.3	Very low	35.8	Very low	211 Å²	211	146.3 Å²	146.3	92%	0.917	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-82.8	128.3	172.8	-83.5	-178.9	175.2	176.6	0	110.7
61	Q	33.5	Very low	35.7	Very low	190 Å²	190	151.5 Å²	151.5	89%	0.888	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-61.8	143.9	164	-66.8	172.2	-13.9	0	0	111.6
62	A	37.2	Very low	35.4	Very low	104 Å²	104	155.2 Å²	155.2	86%	0.86	86%	0.856	S	S	*	*			trans	-137.3	140.6	156.2	0	0	0	0	0	110.3
63	K	37.5	Very low	35.4	Very low	200 Å²	200	155.4 Å²	155.4	87%	0.87	86%	0.858	S	S	*	*			trans	-85.9	169.8	-156.9	-84.2	173.3	175.5	177.4	0	114.8
64	P	36.1	Very low	35.2	Very low	125 Å²	125	153.6 Å²	153.6	81%	0.812	85%	0.853	S	S	*	*			trans	-94.7	162.1	-170.5	37.9	-31.8	0	0	0	113.4
65	A	37.8	Very low	35	Very low	94 Å²	94	150.3 Å²	150.3	78%	0.777	85%	0.85	S	S	*	*			trans	-142.9	109.6	164.3	0	0	0	0	0	110.9
66	V	38.8	Very low	34.8	Very low	149 Å²	149	153.3 Å²	153.3	90%	0.903	85%	0.853	S	S	*	*				89.8	126.4	98.2	178.5	0	0	0	0	113.6
67	A	32.4	Very low	34.6	Very low	102 Å²	102	153.6 Å²	153.6	84%	0.843	86%	0.855	S	S	*	*			trans	-93.8	163.9	-170.8	0	0	0	0	0	114.8
68	G	35.2	Very low	34.2	Very low	73 Å²	73	154 Å²	154	75%	0.753	86%	0.855	S	S	*	*			trans	134.2	133.7	161.1	0	0	0	0	0	111.2
69	M	35.9	Very low	33.7	Very low	197 Å²	197	156.6 Å²	156.6	97%	0.97	86%	0.858	S	S	*	*			cis	-159.7	153.6	11	-105.3	162.6	85.8	0	0	108.9
70	K	32.5	Very low	33.4	Very low	200 Å²	200	156 Å²	156	87%	0.87	85%	0.854	S	S	*	*			trans	-60	150.8	178.8	-68.2	169	170	171.7	0	114.9
71	K	35.9	Very low	32.8	Very low	216 Å²	216	151.7 Å²	151.7	94%	0.939	85%	0.846	S	S	*	*				-157.5	146.5	124.3	-111.6	177.2	-174.5	-178.6	0	113.1
72	K	30.7	Very low	32.6	Very low	200 Å²	200	148.8 Å²	148.8	87%	0.87	84%	0.84	S	S	*	*			trans	-78.3	152.8	-164.4	-69.9	171.5	161.7	-172	0	114
73	G	33.6	Very low	32.2	Very low	81 Å²	81	149.1 Å²	149.1	84%	0.835	83%	0.828	S	S	*	*			trans	-162.3	108.1	154.4	0	0	0	0	0	109
74	E	28.7	Very low	31.8	Very low	171 Å²	171	145.3 Å²	145.3	80%	0.799	82%	0.817	S	S	*	*			trans	-77	137.3	178.8	-69.3	162.9	150.1	0	0	110.7
75	T	31.7	Very low	31.6	Very low	137 Å²	137	142.2 Å²	142.2	84%	0.84	80%	0.796	S	S	*	*			trans	-174.4	131.8	131.2	14.7	0	0	0	0	113
76	E	31.9	Very low	31.2	Very low	184 Å²	184	141.2 Å²	141.2	86%	0.86	78%	0.782	S	S	*	*			trans	59.1	103.3	158.2	-69.6	-178.7	157.6	0	0	121.6	T78	E76-T78 PolarHBondContact O-N 3.34Å
77	K	26.3	Very low	30.7	Very low	212 Å²	212	137.4 Å²	137.4	92%	0.922	77%	0.766	S	S	*	*			trans	-72	112.2	162.9	-71.3	176.2	173.4	-178.6	0	110
78	T	30.3	Very low	30.9	Very low	134 Å²	134	139.9 Å²	139.9	82%	0.822	76%	0.76	S	S	*	*			trans	-109.7	119.3	152.7	16	0	0	0	0	107.2	E76	E76-T78 PolarHBondContact O-N 3.34Å
79	E	26.8	Very low	31	Very low	181 Å²	181	142.3 Å²	142.3	85%	0.846	75%	0.752	S	S	*	*			trans	-62.1	137.7	177	-65.5	-176.7	154.9	0	0	110	V81	E79-V81 PolarHBondContact O-N 2.95Å
80	P	29.2	Very low	31	Very low	115 Å²	115	135 Å²	135	75%	0.747	72%	0.719	S	S	*	*			trans	-74.9	120.9	173.5	30.4	-28.8	0	0	0	108.7	V82	P80-V82 PolarHBondContact O-N 3.24Å; P80-V82 VanDerWaalsContact O-N 3.16Å
81	V	27.4	Very low	31.6	Very low	121 Å²	121	128.7 Å²	128.7	73%	0.733	70%	0.695	S	S	*	*			trans	-60.9	114.8	166.2	176.2	0	0	0	0	107.3	E79 D83	E79-V81 PolarHBondContact O-N 2.95Å; V81-D83 PolarHBondContact O-N 3.45Å; V81-D83 VanDerWaalsContact O-N 3.13Å
82	V	27.8	Very low	31.8	Very low	128 Å²	128	121.2 Å²	121.2	78%	0.776	66%	0.663	S	S	*	*			trans	-77.8	94.8	178.5	-157	0	0	0	0	107.6	P80 D84	P80-V82 PolarHBondContact O-N 3.24Å; P80-V82 VanDerWaalsContact O-N 3.16Å; V82-D84 VanDerWaalsContact C-N 3.28Å; V82-D84 PolarHBondContact O-N 3.12Å
83	D	28.6	Very low	32.4	Very low	112 Å²	112	117.3 Å²	117.3	60%	0.599	65%	0.648	S	S	*	*			trans	-75.9	83.2	169.9	-87.6	-27.5	0	0	0	109.6	V81 V85	V81-D83 PolarHBondContact O-N 3.45Å; V81-D83 VanDerWaalsContact O-N 3.13Å; D83-V85 VanDerWaalsContact C-N 3.27Å; D83-V85 PolarHBondContact O-N 3.03Å
84	D	30.3	Very low	32.7	Very low	120 Å²	120	115.4 Å²	115.4	64%	0.642	62%	0.617	S	S	*	*			trans	-75.8	79.3	171.1	-164.4	11	0	0	0	109.7	V82 C86	V82-D84 VanDerWaalsContact C-N 3.28Å; V82-D84 PolarHBondContact O-N 3.12Å; D84-C86 PolarHBondContact O-N 3.22Å
85	V	31.6	Very low	33.2	Very low	60 Å²	60	109.4 Å²	109.4	36%	0.364	59%	0.591	S	S	.	*			trans	-83	99.6	167.7	-173.4	0	0	0	0	107	D83 A87 R634	D83-V85 VanDerWaalsContact C-N 3.27Å; D83-V85 PolarHBondContact O-N 3.03Å; V85-A87 PolarHBondContact O-N 3.29Å; V85-R634 PolarHBondContact O-NH1 2.92Å
86	C	29.9	Very low	33.7	Very low	72 Å²	72	105.2 Å²	105.2	49%	0.486	57%	0.57	S	S	.	*			trans	-52.4	108.2	176.9	-75.7	0	0	0	0	111.1	D84	D84-C86 PolarHBondContact O-N 3.22Å
87	A	28.5	Very low	34.1	Very low	69 Å²	69	100.2 Å²	100.2	57%	0.57	55%	0.548	S	S	*	.			trans	-60.7	151.6	158.5	0	0	0	0	0	109.2	V85 E89	V85-A87 PolarHBondContact O-N 3.29Å; A87-E89 VanDerWaalsContact C-N 3.27Å; A87-E89 PolarHBondContact O-N 2.89Å
88	E	36.2	Very low	34.6	Very low	154 Å²	154	91.2 Å²	91.2	72%	0.72	52%	0.515	S	S	*	.			trans	-60.8	93	169.8	-70	-171.1	165.3	0	0	108.8	T804	E88-T804 PolarHBondContact OE1-OG1 3.06Å
89	E	38.3	Very low	35	Very low	125 Å²	125	91.2 Å²	91.2	58%	0.584	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-87	135.5	167.6	-71.6	-156.3	173.1	0	0	110.2	A87 K791	A87-E89 VanDerWaalsContact C-N 3.27Å; A87-E89 PolarHBondContact O-N 2.89Å; E89-K791 PolarHBondContact O-NZ 3.3Å
90	P	35.7	Very low	35.7	Very low	43 Å²	43	89.8 Å²	89.8	28%	0.279	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-80.2	155.2	-158.9	42.7	-43.2	0	0	0	109.4	E94 L95 I785	P90-E94 VanDerWaalsContact C-OE2 3.29Å; P90-E94 WeakPolarHBondContact CA-OE2 3.4Å; P90-E94 HydrophobicContact CB-CB 3.53Å; P90-E94 HydrophobicContact CB-CG 3.59Å; P90-E94 WeakPolarHBondContact CB-OE2 3.38Å; P90-E94 HydrophobicContact CG-CB 4.18Å; P90-L95 HydrophobicContact CG-CD2 4.12Å; P90-L95 HydrophobicContact CG-CG 4.2Å; P90-I785 VanDerWaalsContact O-CD1 3.31Å; P90-I785 WeakPolarHBondContact O-CD1 3.33Å
91	D	44.3	Very low	36.3	Very low	68 Å²	68	85.8 Å²	85.8	36%	0.364	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-65.1	172.3	-174.3	42.7	17.8	0	0	0	114.3	E93 E94 L95 F784 I785	D91-E93 VanDerWaalsContact C-N 3.26Å; D91-E93 PolarHBondContact O-N 3.44Å; D91-E93 VanDerWaalsContact O-N 3.15Å; D91-E94 PolarHBondContact N-OE2 2.98Å; D91-E94 CarbonylContact O-C 3.5Å; D91-E94 VanDerWaalsContact O-CA 3.24Å; D91-E94 WeakPolarHBondContact O-CA 3.24Å; D91-E94 WeakPolarHBondContact O-CB 3.48Å; D91-E94 PolarHBondContact O-N 3.48Å; D91-E94 VanDerWaalsContact OD1-CB 3.3Å; D91-E94 WeakPolarHBondContact OD1-CB 3.44Å; D91-E94 VanDerWaalsContact OD1-CD 3.31Å; D91-L95 PolarHBondContact O-N 3.34Å; D91-F784 HydrophobicContact CB-CE2 4.23Å; D91-I785 VanDerWaalsContact CA-CD1 3.48Å; D91-I785 HydrophobicContact CB-CD1 4.28Å
92	E	39.4	Very low	36.9	Very low	58 Å²	58	82.5 Å²	82.5	27%	0.271	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-29.4	-162.3	-151.4	170	-106.1	0	0	114.6	A96 S783 F784 I785 K786 G787	E92-A96 PolarHBondContact O-N 2.78Å; E92-S783 VanDerWaalsContact CD-C 3.47Å; E92-F784 WeakPolarHBondContact OE1-CA 3.43Å; E92-F784 PolarHBondContact OE1-N 3.22Å; E92-I785 PolarHBondContact OE1-N 3.3Å; E92-K786 HydrophobicContact CG-CB 4.43Å; E92-K786 HydrophobicContact CG-CG 3.78Å; E92-K786 WeakPolarHBondContact OE1-CA 3.29Å; E92-K786 PolarHBondContact OE1-N 3.17Å; E92-G787 PolarHBondContact OE1-N 3.33Å
93	E	43.3	Very low	37.6	Very low	118 Å²	118	82.8 Å²	82.8	55%	0.551	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-31.9	170.4	-76.4	174.9	143.7	0	0	111.8	D91 A96 M97 F527	D91-E93 VanDerWaalsContact C-N 3.26Å; D91-E93 PolarHBondContact O-N 3.44Å; D91-E93 VanDerWaalsContact O-N 3.15Å; E93-A96 PolarHBondContact O-N 3.44Å; E93-M97 WeakPolarHBondContact O-CB 3.36Å; E93-M97 WeakPolarHBondContact O-CG 3.21Å; E93-M97 PolarHBondContact O-N 3.21Å; E93-F527 WeakPolarHBondContact OE2-CE1 3.4Å; E93-F527 WeakPolarHBondContact OE2-CZ 3.16Å
94	E	41.4	Very low	38.5	Very low	41 Å²	41	80.1 Å²	80.1	19%	0.192	44%	0.442	C	S	.	.	H	α-helix	trans	-71.3	-27.7	177.3	-129	179.4	-168.4	0	0	111.8	P90 D91 G98	P90-E94 VanDerWaalsContact C-OE2 3.29Å; P90-E94 WeakPolarHBondContact CA-OE2 3.4Å; P90-E94 HydrophobicContact CB-CB 3.53Å; P90-E94 HydrophobicContact CB-CG 3.59Å; P90-E94 WeakPolarHBondContact CB-OE2 3.38Å; P90-E94 HydrophobicContact CG-CB 4.18Å; D91-E94 PolarHBondContact N-OE2 2.98Å; D91-E94 CarbonylContact O-C 3.5Å; D91-E94 VanDerWaalsContact O-CA 3.24Å; D91-E94 WeakPolarHBondContact O-CA 3.24Å; D91-E94 WeakPolarHBondContact O-CB 3.48Å; D91-E94 PolarHBondContact O-N 3.48Å; D91-E94 VanDerWaalsContact OD1-CB 3.3Å; D91-E94 WeakPolarHBondContact OD1-CB 3.44Å; D91-E94 VanDerWaalsContact OD1-CD 3.31Å; E94-G98 VanDerWaalsContact O-CA 3.23Å; E94-G98 WeakPolarHBondContact O-CA 3.48Å; E94-G98 PolarHBondContact O-N 3.34Å
95	L	38.6	Very low	39.2	Very low	46 Å²	46	79.1 Å²	79.1	24%	0.241	43%	0.433	C	S	.	.	H	α-helix	trans	-81.9	-24.2	168.4	-81.7	176.1	0	0	0	114.1	P90 D91 I785 K786	P90-L95 HydrophobicContact CG-CD2 4.12Å; P90-L95 HydrophobicContact CG-CG 4.2Å; D91-L95 PolarHBondContact O-N 3.34Å; L95-I785 HydrophobicContact CD1-CB 4.45Å; L95-I785 HydrophobicContact CD1-CG2 3.36Å; L95-K786 PolarHBondContact O-NZ 3.41Å
96	A	42	Very low	39.7	Very low	49 Å²	49	81.6 Å²	81.6	41%	0.405	44%	0.441	S	S	.	.	H	α-helix	trans	-80.8	-41	176	0	0	0	0	0	110.5	E92 E93 G98	E92-A96 PolarHBondContact O-N 2.78Å; E93-A96 PolarHBondContact O-N 3.44Å; A96-G98 VanDerWaalsContact C-N 3.33Å
97	M	39.7	Very low	40.5	Very low	79 Å²	79	84.4 Å²	84.4	39%	0.389	45%	0.447	S	S	.	.	H	α-helix	trans	-68.2	-35.7	165.6	-61.6	-159.9	-33.8	0	0	110.6	E93 E99 E100 E101 F530	E93-M97 WeakPolarHBondContact O-CB 3.36Å; E93-M97 WeakPolarHBondContact O-CG 3.21Å; E93-M97 PolarHBondContact O-N 3.21Å; M97-E99 VanDerWaalsContact C-N 3.25Å; M97-E99 PolarHBondContact O-N 3.14Å; M97-E99 VanDerWaalsContact O-N 3.14Å; M97-E100 CarbonylContact O-C 3.57Å; M97-E100 PolarHBondContact O-N 3.46Å; M97-E100 VanDerWaalsContact O-N 3.12Å; M97-E101 HydrophobicContact CB-CG 4.35Å; M97-E101 WeakPolarHBondContact CB-OE1 3.35Å; M97-E101 WeakPolarHBondContact CE-OE1 3.48Å; M97-E101 WeakPolarHBondContact O-CA 3.48Å; M97-E101 WeakPolarHBondContact O-CB 2.84Å; M97-E101 WeakPolarHBondContact O-CG 3.46Å; M97-E101 PolarHBondContact O-N 3.34Å; M97-F530 HydrophobicContact CE-CD2 3.58Å; M97-F530 HydrophobicContact CE-CE2 3.31Å; M97-F530 HydrophobicContact CE-CZ 4.31Å
98	G	37.4	Very low	41.4	Very low	23 Å²	23	83.4 Å²	83.4	24%	0.237	44%	0.439	C	S	.	.	H	α-helix	trans	-54.2	-28.8	177	0	0	0	0	0	116.3	E94 A96 A102	E94-G98 VanDerWaalsContact O-CA 3.23Å; E94-G98 WeakPolarHBondContact O-CA 3.48Å; E94-G98 PolarHBondContact O-N 3.34Å; A96-G98 VanDerWaalsContact C-N 3.33Å; G98-A102 WeakPolarHBondContact O-CB 3.31Å; G98-A102 PolarHBondContact O-N 3.32Å
99	E	38.6	Very low	41.7	Very low	134 Å²	134	80.4 Å²	80.4	63%	0.626	43%	0.426	S	S	*	.	H	α-helix	trans	-82.9	-38.7	176.5	-74.3	170.8	151.6	0	0	111.9	M97 E103 K786	M97-E99 VanDerWaalsContact C-N 3.25Å; M97-E99 PolarHBondContact O-N 3.14Å; M97-E99 VanDerWaalsContact O-N 3.14Å; E99-E103 PolarHBondContact O-N 2.96Å; E99-K786 IonicContact OE2-NZ 3.94Å; E99-K786 PolarHBondContact OE2-NZ 3.1Å
100	E	41.8	Very low	41.9	Very low	151 Å²	151	80.3 Å²	80.3	71%	0.706	43%	0.425	S	S	*	.	H	α-helix	trans	-72.9	-32.6	170.5	-70.9	-172.6	162.9	0	0	111.8	M97 E103 A104	M97-E100 CarbonylContact O-C 3.57Å; M97-E100 PolarHBondContact O-N 3.46Å; M97-E100 VanDerWaalsContact O-N 3.12Å; E100-E103 PolarHBondContact O-N 3.3Å; E100-A104 VanDerWaalsContact O-CB 3.29Å; E100-A104 WeakPolarHBondContact O-CB 3.3Å; E100-A104 PolarHBondContact O-N 3.34Å
101	E	41.5	Very low	42.2	Very low	31 Å²	31	85.3 Å²	85.3	15%	0.145	45%	0.445	C	S	.	.	H	α-helix	trans	-67.9	-39.5	171	-80.4	170.4	-168.5	0	0	110.5	M97 E103 A104 E105 F530	M97-E101 HydrophobicContact CB-CG 4.35Å; M97-E101 WeakPolarHBondContact CB-OE1 3.35Å; M97-E101 WeakPolarHBondContact CE-OE1 3.48Å; M97-E101 WeakPolarHBondContact O-CA 3.48Å; M97-E101 WeakPolarHBondContact O-CB 2.84Å; M97-E101 WeakPolarHBondContact O-CG 3.46Å; M97-E101 PolarHBondContact O-N 3.34Å; E101-E103 VanDerWaalsContact C-N 3.28Å; E101-E103 PolarHBondContact O-N 2.95Å; E101-A104 PolarHBondContact O-N 3.47Å; E101-E105 VanDerWaalsContact O-CA 3.31Å; E101-E105 WeakPolarHBondContact O-CA 3.37Å; E101-E105 WeakPolarHBondContact O-CB 3.26Å; E101-E105 VanDerWaalsContact O-CG 3.29Å; E101-E105 WeakPolarHBondContact O-CG 3.38Å; E101-E105 PolarHBondContact O-N 3.36Å; E101-F530 HydrophobicContact CG-CZ 4.26Å; E101-F530 WeakPolarHBondContact OE1-CE2 3.48Å; E101-F530 WeakPolarHBondContact OE1-CZ 3.37Å
102	A	39.7	Very low	42	Very low	51 Å²	51	85.7 Å²	85.7	42%	0.421	45%	0.449	S	S	.	.	H	α-helix	trans	-61.8	-39.5	174.7	0	0	0	0	0	110.6	G98 E106	G98-A102 WeakPolarHBondContact O-CB 3.31Å; G98-A102 PolarHBondContact O-N 3.32Å; A102-E106 WeakPolarHBondContact O-CA 3.38Å; A102-E106 WeakPolarHBondContact O-CB 3.41Å; A102-E106 PolarHBondContact O-N 3.07Å
103	E	43.3	Very low	42	Very low	135 Å²	135	86.9 Å²	86.9	63%	0.631	46%	0.461	S	S	*	.	H	α-helix	trans	-73.7	-38.8	176.3	-69.4	-171.4	167.4	0	0	112.9	E99 E100 E101 Q107	E99-E103 PolarHBondContact O-N 2.96Å; E100-E103 PolarHBondContact O-N 3.3Å; E101-E103 VanDerWaalsContact C-N 3.28Å; E101-E103 PolarHBondContact O-N 2.95Å; E103-Q107 WeakPolarHBondContact O-CB 3.25Å; E103-Q107 WeakPolarHBondContact O-CG 3.11Å; E103-Q107 PolarHBondContact O-N 3.3Å
104	A	47	Very low	41.6	Very low	56 Å²	56	84.1 Å²	84.1	46%	0.463	46%	0.458	S	S	.	.	H	α-helix	trans	-77.3	-38	179.2	0	0	0	0	0	113.1	E100 E101 A108	E100-A104 VanDerWaalsContact O-CB 3.29Å; E100-A104 WeakPolarHBondContact O-CB 3.3Å; E100-A104 PolarHBondContact O-N 3.34Å; E101-A104 PolarHBondContact O-N 3.47Å; A104-A108 WeakPolarHBondContact O-CB 3.12Å; A104-A108 PolarHBondContact O-N 3.34Å
105	E	44.6	Very low	41.2	Very low	98 Å²	98	85 Å²	85	46%	0.458	47%	0.473	S	S	.	.	H	α-helix	trans	-69.9	-35	168.1	-70.3	-170.1	157.2	0	0	110.2	E101 M109 R529	E101-E105 VanDerWaalsContact O-CA 3.31Å; E101-E105 WeakPolarHBondContact O-CA 3.37Å; E101-E105 WeakPolarHBondContact O-CB 3.26Å; E101-E105 VanDerWaalsContact O-CG 3.29Å; E101-E105 WeakPolarHBondContact O-CG 3.38Å; E101-E105 PolarHBondContact O-N 3.36Å; E105-M109 VanDerWaalsContact O-CA 3.25Å; E105-M109 WeakPolarHBondContact O-CA 3.39Å; E105-M109 WeakPolarHBondContact O-CB 3.29Å; E105-M109 PolarHBondContact O-N 2.96Å; E105-R529 IonicContact OE1-NH2 3.95Å
106	E	43.1	Very low	41	Very low	112 Å²	112	86.6 Å²	86.6	52%	0.523	48%	0.484	S	S	.	.	H	α-helix	trans	-68.3	-35.8	173.2	-171.3	175.2	-158.1	0	0	111.3	A102 Q110	A102-E106 WeakPolarHBondContact O-CA 3.38Å; A102-E106 WeakPolarHBondContact O-CB 3.41Å; A102-E106 PolarHBondContact O-N 3.07Å; E106-Q110 VanDerWaalsContact O-CB 3.24Å; E106-Q110 WeakPolarHBondContact O-CB 3.23Å; E106-Q110 WeakPolarHBondContact O-CG 3.06Å; E106-Q110 PolarHBondContact O-N 2.82Å
107	Q	46.3	Very low	40.5	Very low	132 Å²	132	87.5 Å²	87.5	62%	0.617	49%	0.492	S	S	*	.	H	α-helix	trans	-70.6	-46.1	171.8	-76.5	176.4	15.1	0	0	112.7	E103 Q110 E111	E103-Q107 WeakPolarHBondContact O-CB 3.25Å; E103-Q107 WeakPolarHBondContact O-CG 3.11Å; E103-Q107 PolarHBondContact O-N 3.3Å; Q107-Q110 PolarHBondContact O-N 3.03Å; Q107-E111 PolarHBondContact O-N 3.31Å
108	A	47.4	Very low	40.1	Very low	47 Å²	47	85.3 Å²	85.3	39%	0.388	49%	0.486	S	S	.	.	H	α-helix	trans	-70.2	-32.6	177.6	0	0	0	0	0	111.8	A104 E111 V112	A104-A108 WeakPolarHBondContact O-CB 3.12Å; A104-A108 PolarHBondContact O-N 3.34Å; A108-E111 CarbonylContact O-C 3.24Å; A108-E111 PolarHBondContact O-N 2.78Å; A108-V112 WeakPolarHBondContact O-CA 3.39Å; A108-V112 WeakPolarHBondContact O-CB 3.25Å; A108-V112 WeakPolarHBondContact O-CG2 3.49Å; A108-V112 PolarHBondContact O-N 2.91Å
109	M	42.6	Very low	39.8	Very low	92 Å²	92	86.5 Å²	86.5	45%	0.453	50%	0.498	S	S	.	.	H	α-helix	trans	-76.7	-26.9	172.3	-169	163.2	62	0	0	110.3	E105 V113	E105-M109 VanDerWaalsContact O-CA 3.25Å; E105-M109 WeakPolarHBondContact O-CA 3.39Å; E105-M109 WeakPolarHBondContact O-CB 3.29Å; E105-M109 PolarHBondContact O-N 2.96Å; M109-V113 HydrophobicContact CG-CG2 3.75Å; M109-V113 VanDerWaalsContact O-CA 3.31Å; M109-V113 WeakPolarHBondContact O-CA 3.35Å; M109-V113 WeakPolarHBondContact O-CB 3.33Å; M109-V113 WeakPolarHBondContact O-CG2 3.48Å; M109-V113 PolarHBondContact O-N 2.74Å
110	Q	42.9	Very low	39.4	Very low	122 Å²	122	82.9 Å²	82.9	57%	0.57	49%	0.487	S	S	*	.	H	α-helix	trans	-68.8	-37.5	165.4	-79.9	170.8	23.8	0	0	111.5	E106 Q107 A114	E106-Q110 VanDerWaalsContact O-CB 3.24Å; E106-Q110 WeakPolarHBondContact O-CB 3.23Å; E106-Q110 WeakPolarHBondContact O-CG 3.06Å; E106-Q110 PolarHBondContact O-N 2.82Å; Q107-Q110 PolarHBondContact O-N 3.03Å; Q110-A114 WeakPolarHBondContact O-CB 3.38Å; Q110-A114 PolarHBondContact O-N 3.29Å
111	E	42.2	Very low	39.2	Very low	149 Å²	149	79 Å²	79	70%	0.696	48%	0.475	S	S	*	.	H	α-helix	trans	-73.1	-37.7	174.9	-73	-174.3	167.1	0	0	113	Q107 A108 A114 A115	Q107-E111 PolarHBondContact O-N 3.31Å; A108-E111 CarbonylContact O-C 3.24Å; A108-E111 PolarHBondContact O-N 2.78Å; E111-A114 CarbonylContact O-C 3.49Å; E111-A114 WeakPolarHBondContact O-CB 3.5Å; E111-A114 PolarHBondContact O-N 2.71Å; E111-A115 VanDerWaalsContact O-CB 3.28Å; E111-A115 WeakPolarHBondContact O-CB 3.2Å; E111-A115 PolarHBondContact O-N 3.37Å
112	V	39.4	Very low	39	Very low	75 Å²	75	79.2 Å²	79.2	46%	0.455	49%	0.486	S	S	.	.	H	α-helix	trans	-80.8	-36.5	177.6	173	0	0	0	0	110.7	A108 A114 A115 V116	A108-V112 WeakPolarHBondContact O-CA 3.39Å; A108-V112 WeakPolarHBondContact O-CB 3.25Å; A108-V112 WeakPolarHBondContact O-CG2 3.49Å; A108-V112 PolarHBondContact O-N 2.91Å; V112-A114 VanDerWaalsContact C-N 3.26Å; V112-A114 PolarHBondContact O-N 3.48Å; V112-A115 CarbonylContact O-C 3.57Å; V112-A115 PolarHBondContact O-N 2.83Å; V112-V116 HydrophobicContact CG1-CG2 3.63Å; V112-V116 WeakPolarHBondContact O-CA 3.43Å; V112-V116 WeakPolarHBondContact O-CB 3.41Å; V112-V116 WeakPolarHBondContact O-CG2 3.44Å; V112-V116 PolarHBondContact O-N 2.67Å
113	V	38.9	Very low	39	Very low	83 Å²	83	82.3 Å²	82.3	50%	0.503	49%	0.49	S	S	.	.	H	α-helix	trans	-66.3	-33.1	166.7	173.3	0	0	0	0	109	M109 A117	M109-V113 HydrophobicContact CG-CG2 3.75Å; M109-V113 VanDerWaalsContact O-CA 3.31Å; M109-V113 WeakPolarHBondContact O-CA 3.35Å; M109-V113 WeakPolarHBondContact O-CB 3.33Å; M109-V113 WeakPolarHBondContact O-CG2 3.48Å; M109-V113 PolarHBondContact O-N 2.74Å; V113-A117 VanDerWaalsContact O-CA 3.31Å; V113-A117 WeakPolarHBondContact O-CA 3.35Å; V113-A117 WeakPolarHBondContact O-CB 3.3Å; V113-A117 PolarHBondContact O-N 3.02Å
114	A	34.6	Very low	39.3	Very low	61 Å²	61	77.4 Å²	77.4	50%	0.504	47%	0.467	S	S	.	.	H	α-helix	trans	-68.2	-36	169.4	0	0	0	0	0	112.7	Q110 E111 V112 A118	Q110-A114 WeakPolarHBondContact O-CB 3.38Å; Q110-A114 PolarHBondContact O-N 3.29Å; E111-A114 CarbonylContact O-C 3.49Å; E111-A114 WeakPolarHBondContact O-CB 3.5Å; E111-A114 PolarHBondContact O-N 2.71Å; V112-A114 VanDerWaalsContact C-N 3.26Å; V112-A114 PolarHBondContact O-N 3.48Å; A114-A118 WeakPolarHBondContact O-CB 3.48Å; A114-A118 PolarHBondContact O-N 3.22Å
115	A	34	Very low	39	Very low	60 Å²	60	82.8 Å²	82.8	50%	0.496	48%	0.475	S	S	.	.	H	α-helix	trans	-80.8	-33.8	179.6	0	0	0	0	0	113.8	E111 V112 A118 G119	E111-A115 VanDerWaalsContact O-CB 3.28Å; E111-A115 WeakPolarHBondContact O-CB 3.2Å; E111-A115 PolarHBondContact O-N 3.37Å; V112-A115 CarbonylContact O-C 3.57Å; V112-A115 PolarHBondContact O-N 2.83Å; A115-A118 CarbonylContact O-C 3.57Å; A115-A118 PolarHBondContact O-N 3.25Å; A115-G119 WeakPolarHBondContact O-CA 3.1Å; A115-G119 PolarHBondContact O-N 2.81Å
116	V	34.4	Very low	39.4	Very low	79 Å²	79	80 Å²	80	48%	0.479	47%	0.465	S	S	.	.	H	α-helix	trans	-87.7	-27.3	176.8	178.6	0	0	0	0	110.3	V112 A118 G119 S120	V112-V116 HydrophobicContact CG1-CG2 3.63Å; V112-V116 WeakPolarHBondContact O-CA 3.43Å; V112-V116 WeakPolarHBondContact O-CB 3.41Å; V112-V116 WeakPolarHBondContact O-CG2 3.44Å; V112-V116 PolarHBondContact O-N 2.67Å; V116-A118 VanDerWaalsContact C-N 3.28Å; V116-G119 CarbonylContact O-C 3.58Å; V116-G119 PolarHBondContact O-N 2.8Å; V116-S120 WeakPolarHBondContact O-CA 3.31Å; V116-S120 WeakPolarHBondContact O-CB 3.23Å; V116-S120 PolarHBondContact O-N 2.86Å
117	A	30.6	Very low	39.4	Very low	68 Å²	68	75.9 Å²	75.9	56%	0.562	45%	0.451	S	S	*	.	H	α-helix	trans	-75.6	-20.1	161.6	0	0	0	0	0	111.8	V113	V113-A117 VanDerWaalsContact O-CA 3.31Å; V113-A117 WeakPolarHBondContact O-CA 3.35Å; V113-A117 WeakPolarHBondContact O-CB 3.3Å; V113-A117 PolarHBondContact O-N 3.02Å
118	A	32	Very low	39.3	Very low	33 Å²	33	78.9 Å²	78.9	27%	0.273	46%	0.457	S	S	.	.	H	α-helix	trans	-83.1	-20.6	166.5	0	0	0	0	0	113.3	A114 A115 V116	A114-A118 WeakPolarHBondContact O-CB 3.48Å; A114-A118 PolarHBondContact O-N 3.22Å; A115-A118 CarbonylContact O-C 3.57Å; A115-A118 PolarHBondContact O-N 3.25Å; V116-A118 VanDerWaalsContact C-N 3.28Å
119	G	31.2	Very low	39.2	Very low	48 Å²	48	82.4 Å²	82.4	50%	0.495	46%	0.46	S	S	.	.	S	Bend	trans	-131.8	29.5	-174.6	0	0	0	0	0	114.2	A115 V116	A115-G119 WeakPolarHBondContact O-CA 3.1Å; A115-G119 PolarHBondContact O-N 2.81Å; V116-G119 CarbonylContact O-C 3.58Å; V116-G119 PolarHBondContact O-N 2.8Å
120	S	30	Very low	39	Very low	57 Å²	57	83.4 Å²	83.4	40%	0.399	48%	0.477	S	S	.	.			trans	-62.6	125.2	-178	-162.9	0	0	0	0	107.6	V116 G122 K123	V116-S120 WeakPolarHBondContact O-CA 3.31Å; V116-S120 WeakPolarHBondContact O-CB 3.23Å; V116-S120 PolarHBondContact O-N 2.86Å; S120-G122 PolarHBondContact O-N 3.48Å; S120-K123 PolarHBondContact O-N 2.92Å
121	P	37.5	Very low	38.5	Very low	70 Å²	70	82.7 Å²	82.7	46%	0.455	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-8.6	-170.1	-22.9	31.8	0	0	0	115.1	V304	P121-V304 HydrophobicContact CB-CG2 4.43Å
122	G	38.4	Very low	37.9	Very low	35 Å²	35	80.2 Å²	80.2	36%	0.361	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-9.2	175.5	0	0	0	0	0	116.7	S120 N262	S120-G122 PolarHBondContact O-N 3.48Å; G122-N262 PolarHBondContact O-ND2 2.83Å; G122-N262 VanDerWaalsContact O-ND2 3.11Å
123	K	39.7	Very low	37.5	Very low	116 Å²	116	80.4 Å²	80.4	50%	0.504	51%	0.506	S	S	.	.			trans	-133.9	79.3	178.9	-81	178.8	177.7	167.4	0	110.6	S120 R125 E170	S120-K123 PolarHBondContact O-N 2.92Å; K123-R125 PolarHBondContact O-N 2.92Å; K123-E170 PolarHBondContact NZ-O 3.17Å
124	K	48.6	Very low	37.2	Very low	33 Å²	33	82.7 Å²	82.7	14%	0.143	53%	0.526	C	S	.	.			trans	-59.9	117.2	168.8	-76.4	178	173.1	179.4	0	109.5	V126 Y207 W228	K124-V126 PolarHBondContact O-N 3.43Å; K124-V126 VanDerWaalsContact O-N 3.11Å; K124-Y207 HydrophobicContact CB-CD2 4.43Å; K124-Y207 HydrophobicContact CB-CE1 4.17Å; K124-Y207 HydrophobicContact CB-CE2 3.86Å; K124-Y207 HydrophobicContact CD-CD1 3.51Å; K124-Y207 HydrophobicContact CD-CD2 4.25Å; K124-Y207 HydrophobicContact CD-CE1 3.62Å; K124-Y207 HydrophobicContact CD-CE2 4.33Å; K124-Y207 HydrophobicContact CD-CG 3.85Å; K124-Y207 HydrophobicContact CG-CD1 4.15Å; K124-Y207 HydrophobicContact CG-CE1 3.7Å; K124-Y207 HydrophobicContact CG-CE2 4.3Å; K124-W228 HydrophobicContact CD-CD2 3.83Å; K124-W228 HydrophobicContact CD-CE3 4.36Å; K124-W228 HydrophobicContact CD-CG 4.09Å; K124-W228 HydrophobicContact CD-CZ2 3.98Å; K124-W228 VanDerWaalsContact NZ-CG 3.3Å
125	R	41.2	Very low	37.9	Very low	169 Å²	169	83.3 Å²	83.3	64%	0.638	54%	0.538	S	S	*	.			trans	-75.8	99.8	177.9	-87.8	-177.8	163.3	-177.6	-1.3	109.4	K123	K123-R125 PolarHBondContact O-N 2.92Å
126	V	53.4	Low	38.9	Very low	40 Å²	40	86.1 Å²	86.1	24%	0.242	55%	0.545	C	S	.	.	P	Polyproline II helix	trans	-82.3	126.3	179.1	179.3	0	0	0	0	110.6	K124 V198 K199 Y207 N264 C268	K124-V126 PolarHBondContact O-N 3.43Å; K124-V126 VanDerWaalsContact O-N 3.11Å; V126-V198 HydrophobicContact CG1-CG1 4.38Å; V126-K199 WeakPolarHBondContact CG1-O 3.43Å; V126-Y207 HydrophobicContact CG2-CD2 4.49Å; V126-Y207 HydrophobicContact CG2-CE2 4.33Å; V126-N264 WeakPolarHBondContact CG2-OD1 3.49Å; V126-C268 HydrophobicContact CG1-CB 3.55Å; V126-C268 WeakPolarHBondContact CG1-SG 3.29Å
127	G	42.5	Very low	40.4	Very low	24 Å²	24	87.5 Å²	87.5	25%	0.247	55%	0.546	C	S	.	.	P	Polyproline II helix	trans	-73.9	136.5	178.1	0	0	0	0	0	111.6
128	R	43.3	Very low	43	Very low	195 Å²	195	89.9 Å²	89.9	74%	0.736	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-85.1	133.4	168.4	-124.2	178.5	170.7	174.4	-0.9	109.1	S130	R128-S130 PolarHBondContact O-N 2.85Å
129	R	45.4	Very low	45.8	Very low	121 Å²	121	88.9 Å²	88.9	46%	0.457	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-59.3	135.4	168.8	-83.5	-176	170.5	177	7	109.3	A131 D186	R129-A131 PolarHBondContact O-N 2.99Å; R129-D186 IonicContact CZ-OD2 4Å; R129-D186 VanDerWaalsContact CZ-OD2 3.28Å; R129-D186 IonicContact NH1-OD1 3.79Å; R129-D186 PolarHBondContact NH1-OD1 3.03Å; R129-D186 IonicContact NH1-OD2 2.68Å; R129-D186 PolarHBondContact NH1-OD2 2.97Å; R129-D186 IonicContact NH2-OD2 3.28Å; R129-D186 PolarHBondContact NH2-OD2 3.09Å
130	S	38.5	Very low	48.7	Very low	114 Å²	114	91 Å²	91	80%	0.797	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-64.7	116.6	172	56.2	0	0	0	0	109.3	R128 A132	R128-S130 PolarHBondContact O-N 2.85Å; S130-A132 PolarHBondContact O-N 3.17Å
131	A	32.6	Very low	51.9	Low	107 Å²	107	89.6 Å²	89.6	88%	0.884	53%	0.528	S	S	*	.	S	Bend	trans	-66.4	95.4	171.4	0	0	0	0	0	109.7	R129	R129-A131 PolarHBondContact O-N 2.99Å
132	A	29.1	Very low	54.6	Low	96 Å²	96	89.2 Å²	89.2	79%	0.793	52%	0.521	S	S	*	.			trans	169.4	84.9	152.7	0	0	0	0	0	112	S130	S130-A132 PolarHBondContact O-N 3.17Å
133	A	32.3	Very low	57.1	Low	79 Å²	79	90.2 Å²	90.2	65%	0.653	53%	0.532	S	S	*	.			trans	-144.6	128.2	143.3	0	0	0	0	0	107.6	G135	A133-G135 PolarHBondContact O-N 2.75Å
134	S	32.1	Very low	59.7	Low	132 Å²	132	89.6 Å²	89.6	92%	0.923	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	109.2	-172.7	49.7	0	0	0	0	112.3
135	G	48.9	Very low	61.9	Low	74 Å²	74	91.1 Å²	91.1	76%	0.763	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	150	-12.7	167.9	0	0	0	0	0	118	A133	A133-G135 PolarHBondContact O-N 2.75Å
136	D	54.9	Low	64.5	Low	119 Å²	119	83.5 Å²	83.5	64%	0.636	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-82.5	136.9	-166.5	-70.5	-22.9	0	0	0	115.1
137	H	67.1	Low	66.4	Low	107 Å²	107	83.7 Å²	83.7	50%	0.495	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-67.2	126.7	174.8	-91.8	-80.8	0	0	0	111	N187	H137-N187 PolarHBondContact CD2-ND2 2.91Å; H137-N187 VanDerWaalsContact CD2-ND2 3.3Å; H137-N187 PolarHBondContact CD2-OD1 2.95Å
138	V	83.7	Confident	68.6	Low	118 Å²	118	85.8 Å²	85.8	72%	0.715	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-66.1	134.5	175	-178.1	0	0	0	0	110	E140	V138-E140 PolarHBondContact O-N 2.92Å
139	P	90.6	Very high	70.9	Confident	13 Å²	13	80.6 Å²	80.6	8%	0.084	55%	0.551	C	S	.	*	P	Polyproline II helix	trans	-59.8	135	175.2	-21.7	29.2	0	0	0	112.9	K184 V185 H222 L266 D267	P139-K184 VanDerWaalsContact CA-O 3.3Å; P139-K184 WeakPolarHBondContact CA-O 3.22Å; P139-V185 HydrophobicContact CB-CG2 4.26Å; P139-H222 PolarHBondContact O-CE1 2.97Å; P139-H222 PolarHBondContact O-ND1 3.45Å; P139-L266 HydrophobicContact CB-CB 3.53Å; P139-L266 HydrophobicContact CB-CD1 3.75Å; P139-L266 HydrophobicContact CB-CG 4.31Å; P139-L266 HydrophobicContact CG-CB 4.12Å; P139-D267 WeakPolarHBondContact CD-OD1 3.46Å; P139-D267 WeakPolarHBondContact CG-OD1 3.39Å
140	E	93.6	Very high	73.2	Confident	92 Å²	92	78.4 Å²	78.4	43%	0.43	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	146.3	-178.2	60.7	-177.7	167.6	0	0	111.1	V138 A183 K184	V138-E140 PolarHBondContact O-N 2.92Å; E140-A183 CarbonylContact O-C 3.52Å; E140-A183 WeakPolarHBondContact O-CA 3.39Å; E140-K184 HydrophobicContact CG-CB 3.81Å; E140-K184 HydrophobicContact CG-CD 4.49Å; E140-K184 PolarHBondContact N-O 3.11Å; E140-K184 VanDerWaalsContact N-O 3.17Å; E140-K184 PolarHBondContact O-N 2.84Å; E140-K184 WeakPolarHBondContact OE1-CD 3.45Å
141	F	96.4	Very high	75.8	Confident	28 Å²	28	73 Å²	73	12%	0.123	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	146.3	168.9	-66.4	-61.8	0	0	0	110.8	Y180 A183 F214 F215 E216 H222 L266	F141-Y180 HydrophobicContact CB-CD1 3.56Å; F141-Y180 HydrophobicContact CB-CD2 3.69Å; F141-Y180 HydrophobicContact CB-CE1 3.81Å; F141-Y180 HydrophobicContact CB-CE2 3.93Å; F141-Y180 HydrophobicContact CB-CG 3.5Å; F141-Y180 VanDerWaalsContact CB-CG 3.5Å; F141-Y180 AromaticContact CD1-CD2 3.76Å; F141-Y180 HydrophobicContact CD1-CD2 3.76Å; F141-Y180 AromaticContact CD1-CG 3.91Å; F141-Y180 HydrophobicContact CD1-CG 3.91Å; F141-Y180 AromaticContact CD2-CD2 3.41Å; F141-Y180 HydrophobicContact CD2-CD2 3.41Å; F141-Y180 VanDerWaalsContact CD2-CD2 3.41Å; F141-Y180 AromaticContact CD2-CE2 3.35Å; F141-Y180 HydrophobicContact CD2-CE2 3.35Å; F141-Y180 HydrophobicContact CD2-CG 4.15Å; F141-Y180 HydrophobicContact CE1-CD2 4.24Å; F141-Y180 AromaticContact CE2-CD2 3.91Å; F141-Y180 HydrophobicContact CE2-CD2 3.91Å; F141-Y180 AromaticContact CE2-CE2 3.95Å; F141-Y180 HydrophobicContact CE2-CE2 3.95Å; F141-Y180 HydrophobicContact CG-CD1 4.17Å; F141-Y180 AromaticContact CG-CD2 3.33Å; F141-Y180 HydrophobicContact CG-CD2 3.33Å; F141-Y180 HydrophobicContact CG-CE1 4.46Å; F141-Y180 AromaticContact CG-CE2 3.69Å; F141-Y180 HydrophobicContact CG-CE2 3.69Å; F141-Y180 AromaticContact CG-CG 3.59Å; F141-Y180 HydrophobicContact CG-CG 3.59Å; F141-Y180 HydrophobicContact CZ-CD2 4.31Å; F141-A183 HydrophobicContact CD1-CB 3.95Å; F141-A183 HydrophobicContact CE1-CB 4.34Å; F141-F214 HydrophobicContact CD1-CB 4.13Å; F141-F214 HydrophobicContact CD1-CD1 4.49Å; F141-F214 HydrophobicContact CD1-CG 4.5Å; F141-F214 HydrophobicContact CE1-CB 3.76Å; F141-F214 AromaticContact CE1-CD1 3.92Å; F141-F214 HydrophobicContact CE1-CD1 3.92Å; F141-F214 HydrophobicContact CE1-CG 4.18Å; F141-F215 VanDerWaalsContact CZ-C 3.44Å; F141-F215 VanDerWaalsContact CZ-O 3.23Å; F141-F215 WeakPolarHBondContact CZ-O 3.45Å; F141-E216 HydrophobicContact CE2-CB 4.1Å; F141-H222 AromaticContact CD2-CD2 3.9Å; F141-H222 HydrophobicContact CE2-CB 3.72Å; F141-H222 AromaticContact CE2-CD2 3.49Å; F141-H222 VanDerWaalsContact CE2-CD2 3.49Å; F141-H222 WeakPolarHBondContact CE2-CD2 3.19Å; F141-H222 AromaticContact CE2-CG 3.75Å; F141-H222 HydrophobicContact CZ-CB 3.76Å; F141-L266 HydrophobicContact CD1-CD1 4.25Å; F141-L266 HydrophobicContact CE1-CD1 3.9Å; F141-L266 HydrophobicContact CE1-CD2 4.2Å; F141-L266 HydrophobicContact CE1-CG 4.35Å; F141-L266 HydrophobicContact CZ-CD1 4.18Å
142	I	93.6	Very high	78.6	Confident	61 Å²	61	72.1 Å²	72.1	31%	0.313	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	136.9	178.2	-59.9	-174.8	0	0	0	109.8	S182 K184 V189	I142-S182 PolarHBondContact N-O 3.02Å; I142-K184 HydrophobicContact CD1-CB 3.81Å; I142-K184 HydrophobicContact CD1-CD 4.38Å; I142-K184 HydrophobicContact CD1-CG 4.24Å; I142-K184 HydrophobicContact CG1-CB 4.08Å; I142-V189 HydrophobicContact CD1-CB 4.22Å; I142-V189 HydrophobicContact CD1-CG1 3.83Å; I142-V189 HydrophobicContact CD1-CG2 3.49Å; I142-V189 VanDerWaalsContact CD1-CG2 3.49Å
143	G	92.8	Very high	81.7	Confident	57 Å²	57	72 Å²	72	59%	0.588	48%	0.479	S	S	*	.	S	Bend	trans	90.7	178.3	175.2	0	0	0	0	0	113.3
144	S	93.6	Very high	84.5	Confident	103 Å²	103	71.9 Å²	71.9	72%	0.72	47%	0.467	S	S	*	.	S	Bend	trans	-70.7	148.4	174.7	55.2	0	0	0	0	110.8
145	P	94.3	Very high	87.4	Confident	65 Å²	65	67.4 Å²	67.4	42%	0.422	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-53.2	146.2	168.9	-25.1	34	0	0	0	112	G147 C178 H179 Y180	P145-G147 PolarHBondContact O-N 3.04Å; P145-C178 HydrophobicContact CB-CB 4.2Å; P145-H179 CarbonylContact C-O 3.51Å; P145-H179 VanDerWaalsContact CA-O 3.28Å; P145-H179 WeakPolarHBondContact CA-O 3.25Å; P145-Y180 HydrophobicContact CB-CE1 4.43Å; P145-Y180 HydrophobicContact CG-CE1 3.86Å
146	V	95.2	Very high	89.5	Confident	9 Å²	9	66.6 Å²	66.6	6%	0.055	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-58.5	135.9	168.6	179.9	0	0	0	0	108.3	A148 E150 A151 W155 H179 R181	V146-A148 PolarHBondContact O-N 3.47Å; V146-E150 HydrophobicContact CG1-CB 3.95Å; V146-E150 HydrophobicContact CG1-CG 3.9Å; V146-E150 WeakPolarHBondContact CG1-OE2 3.31Å; V146-A151 HydrophobicContact CB-CB 4.39Å; V146-A151 HydrophobicContact CG1-CB 4.15Å; V146-W155 HydrophobicContact CG1-CZ3 4.23Å; V146-W155 HydrophobicContact CG2-CZ3 4.48Å; V146-H179 HydrophobicContact CB-CB 4.13Å; V146-H179 HydrophobicContact CG2-CB 4.15Å; V146-H179 PolarHBondContact N-O 3.23Å; V146-R181 HydrophobicContact CG2-CG 3.8Å
147	G	93.6	Very high	91.2	Very high	44 Å²	44	66.6 Å²	66.6	45%	0.454	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-54.5	136.1	-177.9	0	0	0	0	0	110.8	P145 A149 E150 A151	P145-G147 PolarHBondContact O-N 3.04Å; G147-A149 VanDerWaalsContact C-N 3.29Å; G147-A149 PolarHBondContact O-N 3.16Å; G147-A149 VanDerWaalsContact O-N 3.16Å; G147-E150 WeakPolarHBondContact O-CB 2.97Å; G147-E150 PolarHBondContact O-N 3.19Å; G147-A151 PolarHBondContact O-N 3.32Å
148	A	90	Very high	92.4	Very high	67 Å²	67	62 Å²	62	55%	0.554	38%	0.384	S	S	*	.	H	α-helix	trans	-53.6	-44.4	-170.1	0	0	0	0	0	112.8	V146 E150 A151 H152	V146-A148 PolarHBondContact O-N 3.47Å; A148-E150 PolarHBondContact O-N 3.11Å; A148-A151 PolarHBondContact O-N 2.92Å; A148-H152 PolarHBondContact O-N 3.21Å; A148-H152 PolarHBondContact O-ND1 3.48Å
149	A	91	Very high	92.7	Very high	86 Å²	86	58.5 Å²	58.5	71%	0.711	36%	0.358	S	S	*	.	H	α-helix	trans	-60.8	-42.7	177.9	0	0	0	0	0	112.8	G147 H152 S153	G147-A149 VanDerWaalsContact C-N 3.29Å; G147-A149 PolarHBondContact O-N 3.16Å; G147-A149 VanDerWaalsContact O-N 3.16Å; A149-H152 PolarHBondContact O-N 3.06Å; A149-S153 WeakPolarHBondContact O-CB 3.31Å; A149-S153 PolarHBondContact O-N 2.9Å
150	E	94.5	Very high	92.3	Very high	75 Å²	75	63.5 Å²	63.5	35%	0.35	38%	0.38	S	S	.	.	H	α-helix	trans	-65	-45.2	176.1	-174.6	-169	167.2	0	0	110.8	V146 G147 A148 H152 S153 N154 R181	V146-E150 HydrophobicContact CG1-CB 3.95Å; V146-E150 HydrophobicContact CG1-CG 3.9Å; V146-E150 WeakPolarHBondContact CG1-OE2 3.31Å; G147-E150 WeakPolarHBondContact O-CB 2.97Å; G147-E150 PolarHBondContact O-N 3.19Å; A148-E150 PolarHBondContact O-N 3.11Å; E150-H152 VanDerWaalsContact C-N 3.35Å; E150-H152 PolarHBondContact O-N 3.19Å; E150-S153 WeakPolarHBondContact O-CB 3.32Å; E150-S153 PolarHBondContact O-N 3.37Å; E150-S153 VanDerWaalsContact O-N 3.16Å; E150-N154 WeakPolarHBondContact O-CB 3.41Å; E150-N154 VanDerWaalsContact O-CG 3.29Å; E150-N154 PolarHBondContact O-N 3.48Å; E150-R181 IonicContact OE1-CZ 3.51Å; E150-R181 IonicContact OE1-NH1 3.93Å; E150-R181 IonicContact OE1-NH2 3.28Å; E150-R181 PolarHBondContact OE1-NH2 3.03Å; E150-R181 IonicContact OE2-NH2 3.54Å; E150-R181 PolarHBondContact OE2-NH2 2.69Å
151	A	92.3	Very high	90.9	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-63.2	-39.7	179	0	0	0	0	0	112.4	V146 G147 A148 S153 W155 Y159 H179	V146-A151 HydrophobicContact CB-CB 4.39Å; V146-A151 HydrophobicContact CG1-CB 4.15Å; G147-A151 PolarHBondContact O-N 3.32Å; A148-A151 PolarHBondContact O-N 2.92Å; A151-S153 VanDerWaalsContact C-N 3.31Å; A151-W155 HydrophobicContact CB-CE3 4.12Å; A151-W155 HydrophobicContact CB-CZ3 4.16Å; A151-W155 PolarHBondContact O-N 3.49Å; A151-Y159 HydrophobicContact CB-CE2 3.9Å; A151-Y159 WeakPolarHBondContact O-CE2 3.35Å; A151-H179 HydrophobicContact CB-CB 4.26Å
152	H	91.6	Very high	89	Confident	90 Å²	90	72.7 Å²	72.7	42%	0.417	42%	0.423	S	S	.	.	H	α-helix	trans	-68.2	-32.3	175.8	-73.2	63.4	0	0	0	112	A148 A149 E150 P156 Y159	A148-H152 PolarHBondContact O-N 3.21Å; A148-H152 PolarHBondContact O-ND1 3.48Å; A149-H152 PolarHBondContact O-N 3.06Å; E150-H152 VanDerWaalsContact C-N 3.35Å; E150-H152 PolarHBondContact O-N 3.19Å; H152-P156 VanDerWaalsContact O-CA 3.25Å; H152-P156 WeakPolarHBondContact O-CA 3.25Å; H152-Y159 HydrophobicContact CB-CD2 4.4Å; H152-Y159 VanDerWaalsContact CD2-CB 3.48Å; H152-Y159 WeakPolarHBondContact CD2-CB 3.27Å; H152-Y159 AromaticContact CD2-CG 3.69Å; H152-Y159 AromaticContact CE1-CD1 3.55Å; H152-Y159 AromaticContact CE1-CE1 3.82Å; H152-Y159 AromaticContact CE1-CG 3.71Å; H152-Y159 AromaticContact CG-CD2 3.9Å; H152-Y159 AromaticContact CG-CG 3.92Å; H152-Y159 AromaticContact ND1-CD2 3.91Å; H152-Y159 AromaticContact ND1-CG 3.92Å; H152-Y159 AromaticContact NE2-CD1 3.62Å; H152-Y159 AromaticContact NE2-CG 3.59Å
153	S	92.9	Very high	86.9	Confident	92 Å²	92	76.9 Å²	76.9	64%	0.643	45%	0.451	S	S	*	.	H	α-helix	trans	-73	-43.1	176.3	-170.9	0	0	0	0	112.1	A149 E150 A151	A149-S153 WeakPolarHBondContact O-CB 3.31Å; A149-S153 PolarHBondContact O-N 2.9Å; E150-S153 WeakPolarHBondContact O-CB 3.32Å; E150-S153 PolarHBondContact O-N 3.37Å; E150-S153 VanDerWaalsContact O-N 3.16Å; A151-S153 VanDerWaalsContact C-N 3.31Å
154	N	92.6	Very high	84.6	Confident	78 Å²	78	77.6 Å²	77.6	42%	0.417	45%	0.451	S	S	.	.	H	α-helix	trans	-76.5	-35.2	-176	-67.7	-8.5	0	0	0	112.2	E150	E150-N154 WeakPolarHBondContact O-CB 3.41Å; E150-N154 VanDerWaalsContact O-CG 3.29Å; E150-N154 PolarHBondContact O-N 3.48Å
155	W	93.1	Very high	82.1	Confident	37 Å²	37	77.2 Å²	77.2	14%	0.14	46%	0.455	C	S	.	.			trans	-133.6	60.7	-173.9	-49.8	-71.3	0	0	0	111.8	V146 A151 K157 R158 Y159 H179 L192 E213	V146-W155 HydrophobicContact CG1-CZ3 4.23Å; V146-W155 HydrophobicContact CG2-CZ3 4.48Å; A151-W155 HydrophobicContact CB-CE3 4.12Å; A151-W155 HydrophobicContact CB-CZ3 4.16Å; A151-W155 PolarHBondContact O-N 3.49Å; W155-K157 VanDerWaalsContact C-N 3.3Å; W155-K157 PolarHBondContact O-N 3.07Å; W155-R158 HydrophobicContact CB-CB 4.35Å; W155-R158 HydrophobicContact CB-CG 3.75Å; W155-R158 WeakPolarHBondContact O-CB 3.49Å; W155-R158 PolarHBondContact O-N 3.16Å; W155-R158 VanDerWaalsContact O-N 3.08Å; W155-Y159 WeakPolarHBondContact O-CD2 3.37Å; W155-H179 AromaticContact CD2-CD2 3.54Å; W155-H179 AromaticContact CD2-NE2 3.57Å; W155-H179 HydrophobicContact CE3-CB 3.94Å; W155-H179 AromaticContact CE3-CD2 3.22Å; W155-H179 AromaticContact CE3-CE1 3.77Å; W155-H179 AromaticContact CE3-CG 3.34Å; W155-H179 AromaticContact CE3-ND1 3.68Å; W155-H179 AromaticContact CE3-NE2 3.54Å; W155-H179 AromaticContact CG-NE2 3.69Å; W155-H179 HydrophobicContact CH2-CB 4.21Å; W155-H179 HydrophobicContact CZ3-CB 3.5Å; W155-H179 VanDerWaalsContact CZ3-CB 3.5Å; W155-H179 AromaticContact CZ3-CD2 3.53Å; W155-H179 AromaticContact CZ3-CG 3.45Å; W155-H179 VanDerWaalsContact CZ3-CG 3.45Å; W155-L192 HydrophobicContact CH2-CD1 4.48Å; W155-L192 HydrophobicContact CZ2-CD1 4.47Å; W155-E213 VanDerWaalsContact CD1-CD 3.48Å; W155-E213 HydrophobicContact CD2-CG 4.45Å; W155-E213 HydrophobicContact CG-CG 4.27Å; W155-E213 HydrophobicContact CZ2-CG 4.49Å; W155-E213 VanDerWaalsContact NE1-CG 3.31Å
156	P	92.4	Very high	79.6	Confident	57 Å²	57	81.8 Å²	81.8	37%	0.37	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-57.7	-41.3	-171.7	21.5	-33.2	0	0	0	112.8	H152 R158 Y159 E160	H152-P156 VanDerWaalsContact O-CA 3.25Å; H152-P156 WeakPolarHBondContact O-CA 3.25Å; P156-R158 PolarHBondContact O-N 3.38Å; P156-R158 VanDerWaalsContact O-N 3.08Å; P156-Y159 PolarHBondContact O-N 3.1Å; P156-E160 WeakPolarHBondContact O-CG 3.47Å; P156-E160 PolarHBondContact O-N 2.89Å
157	K	90.5	Very high	76.8	Confident	119 Å²	119	88.5 Å²	88.5	52%	0.517	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-58.5	-25.9	-179.7	-59.5	-174.6	176.5	-179.6	0	113.9	W155 Y159 E173 K175	W155-K157 VanDerWaalsContact C-N 3.3Å; W155-K157 PolarHBondContact O-N 3.07Å; K157-Y159 VanDerWaalsContact C-N 3.28Å; K157-Y159 PolarHBondContact O-N 2.99Å; K157-E173 WeakPolarHBondContact CB-OE2 3.25Å; K157-E173 VanDerWaalsContact CD-CD 3.42Å; K157-E173 WeakPolarHBondContact CD-OE1 3.46Å; K157-E173 WeakPolarHBondContact CD-OE2 3.46Å; K157-E173 IonicContact NZ-OE1 3.7Å; K157-E173 PolarHBondContact NZ-OE1 2.72Å; K157-K175 PolarHBondContact O-NZ 3.47Å
158	R	92.2	Very high	73.9	Confident	10 Å²	10	92.6 Å²	92.6	4%	0.038	52%	0.522	C	S	.	.	G	3₁₀ helix	trans	-71	-21.1	176.7	-59.4	-66.2	-174.1	-169	-4.7	113.5	W155 P156 L174 K175 A176 E213 T225 D263	W155-R158 HydrophobicContact CB-CB 4.35Å; W155-R158 HydrophobicContact CB-CG 3.75Å; W155-R158 WeakPolarHBondContact O-CB 3.49Å; W155-R158 PolarHBondContact O-N 3.16Å; W155-R158 VanDerWaalsContact O-N 3.08Å; P156-R158 PolarHBondContact O-N 3.38Å; P156-R158 VanDerWaalsContact O-N 3.08Å; R158-L174 WeakPolarHBondContact CD-O 3.38Å; R158-L174 PolarHBondContact NH1-O 3.38Å; R158-K175 WeakPolarHBondContact O-CA 3.38Å; R158-K175 WeakPolarHBondContact O-CD 2.94Å; R158-A176 HydrophobicContact CB-CB 3.83Å; R158-A176 HydrophobicContact CG-CB 4.39Å; R158-A176 PolarHBondContact O-N 3.11Å; R158-A176 VanDerWaalsContact O-N 3.1Å; R158-E213 IonicContact CZ-OE1 3.03Å; R158-E213 IonicContact CZ-OE2 2.8Å; R158-E213 IonicContact NE-OE1 2.66Å; R158-E213 IonicContact NE-OE2 3.02Å; R158-E213 PolarHBondContact NE-OE2 3.28Å; R158-E213 IonicContact NH2-OE1 3.23Å; R158-E213 PolarHBondContact NH2-OE1 3.44Å; R158-E213 IonicContact NH2-OE2 3.4Å; R158-E213 PolarHBondContact NH2-OE2 2.9Å; R158-T225 PolarHBondContact NH2-OG1 3.17Å; R158-D263 IonicContact CZ-OD1 2.78Å; R158-D263 IonicContact CZ-OD2 2.88Å; R158-D263 IonicContact NH1-OD1 2.69Å; R158-D263 IonicContact NH1-OD2 3.51Å; R158-D263 PolarHBondContact NH1-OD2 3.28Å; R158-D263 IonicContact NH2-OD1 2.72Å; R158-D263 PolarHBondContact NH2-OD1 2.87Å; R158-D263 IonicContact NH2-OD2 3.01Å; R158-D263 PolarHBondContact NH2-OD2 2.9Å
159	Y	90.8	Very high	71.4	Confident	45 Å²	45	95.1 Å²	95.1	18%	0.176	52%	0.523	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	-17.2	-170.7	-65.2	-71.9	0	0	0	114.3	A151 H152 W155 P156 K157 R161 A176 H179	A151-Y159 HydrophobicContact CB-CE2 3.9Å; A151-Y159 WeakPolarHBondContact O-CE2 3.35Å; H152-Y159 HydrophobicContact CB-CD2 4.4Å; H152-Y159 VanDerWaalsContact CD2-CB 3.48Å; H152-Y159 WeakPolarHBondContact CD2-CB 3.27Å; H152-Y159 AromaticContact CD2-CG 3.69Å; H152-Y159 AromaticContact CE1-CD1 3.55Å; H152-Y159 AromaticContact CE1-CE1 3.82Å; H152-Y159 AromaticContact CE1-CG 3.71Å; H152-Y159 AromaticContact CG-CD2 3.9Å; H152-Y159 AromaticContact CG-CG 3.92Å; H152-Y159 AromaticContact ND1-CD2 3.91Å; H152-Y159 AromaticContact ND1-CG 3.92Å; H152-Y159 AromaticContact NE2-CD1 3.62Å; H152-Y159 AromaticContact NE2-CG 3.59Å; W155-Y159 WeakPolarHBondContact O-CD2 3.37Å; P156-Y159 PolarHBondContact O-N 3.1Å; K157-Y159 VanDerWaalsContact C-N 3.28Å; K157-Y159 PolarHBondContact O-N 2.99Å; Y159-R161 PolarHBondContact O-N 2.78Å; Y159-A176 HydrophobicContact CE1-CB 4.29Å; Y159-A176 VanDerWaalsContact CE1-O 3.28Å; Y159-A176 WeakPolarHBondContact CE1-O 3.39Å; Y159-H179 AromaticContact CE2-CE1 3.58Å; Y159-H179 AromaticContact CE2-ND1 3.57Å; Y159-H179 AromaticContact CZ-CE1 3.81Å; Y159-H179 AromaticContact CZ-ND1 3.49Å; Y159-H179 PolarHBondContact OH-ND1 3.42Å
160	E	81.9	Confident	69.2	Low	118 Å²	118	99.4 Å²	99.4	55%	0.551	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-60.7	128.1	175.3	-76	171.9	-165.8	0	0	111.6	P156 S162 K175	P156-E160 WeakPolarHBondContact O-CG 3.47Å; P156-E160 PolarHBondContact O-N 2.89Å; E160-S162 PolarHBondContact O-N 3.32Å; E160-K175 PolarHBondContact O-NZ 2.94Å
161	R	64.5	Low	67.1	Low	235 Å²	235	102.5 Å²	102.5	89%	0.887	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-73.7	119.3	171.1	-75.3	-177.1	177.7	178.2	-0	108.5	Y159 T163	Y159-R161 PolarHBondContact O-N 2.78Å; R161-T163 PolarHBondContact O-N 2.68Å
162	S	56.1	Low	65.4	Low	79 Å²	79	108.2 Å²	108.2	55%	0.552	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-54.9	116.5	171.6	175.2	0	0	0	0	109.5	E160 A164	E160-S162 PolarHBondContact O-N 3.32Å; S162-A164 PolarHBondContact O-N 3.45Å; S162-A164 PolarHBondContact OG-N 3.14Å
163	T	49.1	Very low	64.3	Low	149 Å²	149	107.7 Å²	107.7	91%	0.914	58%	0.575	S	S	*	*	S	Bend	trans	-83.1	4.8	173.9	42.1	0	0	0	0	112.1	R161	R161-T163 PolarHBondContact O-N 2.68Å
164	A	44.9	Very low	64.1	Low	71 Å²	71	106.1 Å²	106.1	59%	0.587	56%	0.56	S	S	*	*			trans	-117.3	79.9	-177.9	0	0	0	0	0	111.6	S162 N166	S162-A164 PolarHBondContact O-N 3.45Å; S162-A164 PolarHBondContact OG-N 3.14Å; A164-N166 PolarHBondContact O-N 2.83Å
165	A	41.6	Very low	64.1	Low	96 Å²	96	105.5 Å²	105.5	79%	0.793	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	29.2	-179.3	0	0	0	0	0	115.2
166	N	40.3	Very low	64.1	Low	160 Å²	160	104.1 Å²	104.1	86%	0.856	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146.4	29.5	-169.5	-94.4	-24	0	0	0	117.5	A164	A164-N166 PolarHBondContact O-N 2.83Å
167	K	37	Very low	64.2	Low	150 Å²	150	107.5 Å²	107.5	65%	0.652	56%	0.555	S	S	*	*			trans	-164.2	121.8	164.4	-109.3	164.3	164.2	-138.8	0	110.6	E169	K167-E169 HydrophobicContact CB-CG 4.38Å; K167-E169 WeakPolarHBondContact CD-OE1 3.35Å; K167-E169 IonicContact NZ-OE1 3.33Å; K167-E169 PolarHBondContact NZ-OE1 3.14Å; K167-E169 PolarHBondContact O-N 3.24Å
168	P	32.9	Very low	64.4	Low	130 Å²	130	103 Å²	103	84%	0.844	54%	0.538	S	S	*	.			trans	-78.8	97.1	164.3	30.7	-24.6	0	0	0	107
169	E	38.2	Very low	64.6	Low	121 Å²	121	102.5 Å²	102.5	57%	0.565	54%	0.536	S	S	*	.			trans	-101	143.5	167.8	-75.4	179.3	-176.7	0	0	108.3	K167 D171	K167-E169 HydrophobicContact CB-CG 4.38Å; K167-E169 WeakPolarHBondContact CD-OE1 3.35Å; K167-E169 IonicContact NZ-OE1 3.33Å; K167-E169 PolarHBondContact NZ-OE1 3.14Å; K167-E169 PolarHBondContact O-N 3.24Å; E169-D171 PolarHBondContact O-N 2.81Å
170	E	44	Very low	64.9	Low	176 Å²	176	102 Å²	102	82%	0.822	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	16.7	-161.9	-68.8	-177.5	142.2	0	0	117	K123	K123-E170 PolarHBondContact NZ-O 3.17Å
171	D	50.1	Low	65.6	Low	139 Å²	139	102 Å²	102	74%	0.743	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.3	22	-170	-76.4	-23.8	0	0	0	114.5	E169 E173	E169-D171 PolarHBondContact O-N 2.81Å; D171-E173 PolarHBondContact O-N 2.97Å
172	D	57.1	Low	67.2	Low	121 Å²	121	91.9 Å²	91.9	65%	0.647	49%	0.494	S	S	*	.			trans	-67.2	102.4	170.7	-84	-29.3	0	0	0	110.6	L174	D172-L174 PolarHBondContact O-N 2.84Å
173	E	68.2	Low	69.1	Low	78 Å²	78	88.1 Å²	88.1	36%	0.364	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-51.8	134.9	170.4	-74.9	-178.1	-165.3	0	0	110.7	K157 D171 K175	K157-E173 WeakPolarHBondContact CB-OE2 3.25Å; K157-E173 VanDerWaalsContact CD-CD 3.42Å; K157-E173 WeakPolarHBondContact CD-OE1 3.46Å; K157-E173 WeakPolarHBondContact CD-OE2 3.46Å; K157-E173 IonicContact NZ-OE1 3.7Å; K157-E173 PolarHBondContact NZ-OE1 2.72Å; D171-E173 PolarHBondContact O-N 2.97Å; E173-K175 PolarHBondContact O-N 2.83Å
174	L	87.8	Confident	71.4	Confident	60 Å²	60	83.3 Å²	83.3	31%	0.314	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-57.6	132.9	-178.9	-85	72.3	0	0	0	110.7	R158 D172 F215 Y223 D263	R158-L174 WeakPolarHBondContact CD-O 3.38Å; R158-L174 PolarHBondContact NH1-O 3.38Å; D172-L174 PolarHBondContact O-N 2.84Å; L174-F215 HydrophobicContact CB-CE2 4.1Å; L174-F215 HydrophobicContact CB-CZ 4.15Å; L174-Y223 HydrophobicContact CD2-CD1 3.86Å; L174-Y223 HydrophobicContact CD2-CD2 3.93Å; L174-Y223 HydrophobicContact CD2-CE1 3.52Å; L174-Y223 HydrophobicContact CD2-CE2 3.57Å; L174-Y223 HydrophobicContact CD2-CG 4.07Å; L174-D263 HydrophobicContact CD1-CB 4.45Å; L174-D263 HydrophobicContact CD2-CB 4.45Å
175	K	93	Very high	73.7	Confident	65 Å²	65	80 Å²	80	28%	0.283	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-85.8	142.4	178.4	-59	-64.5	173.1	174.7	0	111.4	K157 R158 E160 E173 G217 T218	K157-K175 PolarHBondContact O-NZ 3.47Å; R158-K175 WeakPolarHBondContact O-CA 3.38Å; R158-K175 WeakPolarHBondContact O-CD 2.94Å; E160-K175 PolarHBondContact O-NZ 2.94Å; E173-K175 PolarHBondContact O-N 2.83Å; K175-G217 CarbonylContact O-C 3.59Å; K175-G217 WeakPolarHBondContact O-CA 3.41Å; K175-T218 HydrophobicContact CB-CG2 3.78Å; K175-T218 PolarHBondContact O-N 3.41Å
176	A	93.6	Very high	76.1	Confident	7 Å²	7	78 Å²	78	6%	0.058	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	139.9	-177.3	0	0	0	0	0	112.4	R158 Y159 H179 F215 E216	R158-A176 HydrophobicContact CB-CB 3.83Å; R158-A176 HydrophobicContact CG-CB 4.39Å; R158-A176 PolarHBondContact O-N 3.11Å; R158-A176 VanDerWaalsContact O-N 3.1Å; Y159-A176 HydrophobicContact CE1-CB 4.29Å; Y159-A176 VanDerWaalsContact CE1-O 3.28Å; Y159-A176 WeakPolarHBondContact CE1-O 3.39Å; A176-H179 VanDerWaalsContact CB-CE1 3.48Å; A176-H179 WeakPolarHBondContact CB-CE1 3.26Å; A176-F215 HydrophobicContact CB-CB 4Å; A176-F215 HydrophobicContact CB-CD2 3.78Å; A176-F215 HydrophobicContact CB-CG 4.17Å; A176-E216 CarbonylContact C-O 3.53Å; A176-E216 WeakPolarHBondContact CA-O 3.46Å
177	R	94	Very high	78.5	Confident	129 Å²	129	74.9 Å²	74.9	49%	0.487	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-47.2	164.6	-74.7	167	59.4	86.3	5.1	110.6	E216 G217 T218	R177-E216 HydrophobicContact CB-CB 4.48Å; R177-E216 WeakPolarHBondContact CD-OE1 3.41Å; R177-E216 IonicContact CZ-OE1 3.66Å; R177-E216 PolarHBondContact N-O 2.99Å; R177-E216 IonicContact NE-OE1 3.63Å; R177-E216 PolarHBondContact NE-OE1 3.38Å; R177-E216 IonicContact NE-OE2 2.79Å; R177-E216 IonicContact NH2-OE1 2.72Å; R177-G217 WeakPolarHBondContact CD-O 3.34Å; R177-T218 HydrophobicContact CG-CG2 4.38Å
178	C	94.4	Very high	81.2	Confident	24 Å²	24	71.2 Å²	71.2	16%	0.162	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	156.7	179.4	56	0	0	0	0	110.2	P145 Y180 F215 E216	P145-C178 HydrophobicContact CB-CB 4.2Å; C178-Y180 WeakPolarHBondContact SG-CE2 3.44Å; C178-F215 VanDerWaalsContact O-CA 3.29Å; C178-F215 WeakPolarHBondContact O-CA 3.38Å; C178-F215 WeakPolarHBondContact O-CB 3.35Å; C178-E216 PolarHBondContact O-N 3.49Å
179	H	97.7	Very high	84.2	Confident	0 Å²	0	68 Å²	68	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	153.3	174.4	-75.9	76.9	0	0	0	110.7	P145 V146 A151 W155 Y159 A176 E213 F214	P145-H179 CarbonylContact C-O 3.51Å; P145-H179 VanDerWaalsContact CA-O 3.28Å; P145-H179 WeakPolarHBondContact CA-O 3.25Å; V146-H179 HydrophobicContact CB-CB 4.13Å; V146-H179 HydrophobicContact CG2-CB 4.15Å; V146-H179 PolarHBondContact N-O 3.23Å; A151-H179 HydrophobicContact CB-CB 4.26Å; W155-H179 AromaticContact CD2-CD2 3.54Å; W155-H179 AromaticContact CD2-NE2 3.57Å; W155-H179 HydrophobicContact CE3-CB 3.94Å; W155-H179 AromaticContact CE3-CD2 3.22Å; W155-H179 AromaticContact CE3-CE1 3.77Å; W155-H179 AromaticContact CE3-CG 3.34Å; W155-H179 AromaticContact CE3-ND1 3.68Å; W155-H179 AromaticContact CE3-NE2 3.54Å; W155-H179 AromaticContact CG-NE2 3.69Å; W155-H179 HydrophobicContact CH2-CB 4.21Å; W155-H179 HydrophobicContact CZ3-CB 3.5Å; W155-H179 VanDerWaalsContact CZ3-CB 3.5Å; W155-H179 AromaticContact CZ3-CD2 3.53Å; W155-H179 AromaticContact CZ3-CG 3.45Å; W155-H179 VanDerWaalsContact CZ3-CG 3.45Å; Y159-H179 AromaticContact CE2-CE1 3.58Å; Y159-H179 AromaticContact CE2-ND1 3.57Å; Y159-H179 AromaticContact CZ-CE1 3.81Å; Y159-H179 AromaticContact CZ-ND1 3.49Å; Y159-H179 PolarHBondContact OH-ND1 3.42Å; A176-H179 VanDerWaalsContact CB-CE1 3.48Å; A176-H179 WeakPolarHBondContact CB-CE1 3.26Å; H179-E213 IonicContact NE2-OE2 3.13Å; H179-E213 PolarHBondContact NE2-OE2 3.48Å; H179-F214 CarbonylContact C-O 3.51Å; H179-F214 VanDerWaalsContact CA-O 3.25Å; H179-F214 WeakPolarHBondContact CA-O 3.32Å
180	Y	97.7	Very high	87.1	Confident	35 Å²	35	62.3 Å²	62.3	14%	0.137	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	166.3	175.3	-65.2	-91.9	0	0	0	109.9	F141 P145 C178 F214 E216	F141-Y180 HydrophobicContact CB-CD1 3.56Å; F141-Y180 HydrophobicContact CB-CD2 3.69Å; F141-Y180 HydrophobicContact CB-CE1 3.81Å; F141-Y180 HydrophobicContact CB-CE2 3.93Å; F141-Y180 HydrophobicContact CB-CG 3.5Å; F141-Y180 VanDerWaalsContact CB-CG 3.5Å; F141-Y180 AromaticContact CD1-CD2 3.76Å; F141-Y180 HydrophobicContact CD1-CD2 3.76Å; F141-Y180 AromaticContact CD1-CG 3.91Å; F141-Y180 HydrophobicContact CD1-CG 3.91Å; F141-Y180 AromaticContact CD2-CD2 3.41Å; F141-Y180 HydrophobicContact CD2-CD2 3.41Å; F141-Y180 VanDerWaalsContact CD2-CD2 3.41Å; F141-Y180 AromaticContact CD2-CE2 3.35Å; F141-Y180 HydrophobicContact CD2-CE2 3.35Å; F141-Y180 HydrophobicContact CD2-CG 4.15Å; F141-Y180 HydrophobicContact CE1-CD2 4.24Å; F141-Y180 AromaticContact CE2-CD2 3.91Å; F141-Y180 HydrophobicContact CE2-CD2 3.91Å; F141-Y180 AromaticContact CE2-CE2 3.95Å; F141-Y180 HydrophobicContact CE2-CE2 3.95Å; F141-Y180 HydrophobicContact CG-CD1 4.17Å; F141-Y180 AromaticContact CG-CD2 3.33Å; F141-Y180 HydrophobicContact CG-CD2 3.33Å; F141-Y180 HydrophobicContact CG-CE1 4.46Å; F141-Y180 AromaticContact CG-CE2 3.69Å; F141-Y180 HydrophobicContact CG-CE2 3.69Å; F141-Y180 AromaticContact CG-CG 3.59Å; F141-Y180 HydrophobicContact CG-CG 3.59Å; F141-Y180 HydrophobicContact CZ-CD2 4.31Å; P145-Y180 HydrophobicContact CB-CE1 4.43Å; P145-Y180 HydrophobicContact CG-CE1 3.86Å; C178-Y180 WeakPolarHBondContact SG-CE2 3.44Å; Y180-F214 PolarHBondContact N-O 3.33Å; Y180-E216 HydrophobicContact CE2-CB 4.41Å
181	R	96.6	Very high	89.6	Confident	118 Å²	118	56.2 Å²	56.2	45%	0.445	28%	0.28	S	S	.	.	S	Bend	trans	-100.4	-17.8	175.3	-62.1	-170.9	-175	-81.3	1.2	113.4	V146 E150 C191 L192	V146-R181 HydrophobicContact CG2-CG 3.8Å; E150-R181 IonicContact OE1-CZ 3.51Å; E150-R181 IonicContact OE1-NH1 3.93Å; E150-R181 IonicContact OE1-NH2 3.28Å; E150-R181 PolarHBondContact OE1-NH2 3.03Å; E150-R181 IonicContact OE2-NH2 3.54Å; E150-R181 PolarHBondContact OE2-NH2 2.69Å; R181-C191 WeakPolarHBondContact O-CA 3.17Å; R181-L192 HydrophobicContact CB-CD1 4.48Å; R181-L192 HydrophobicContact CG-CD1 4.38Å; R181-L192 PolarHBondContact O-N 3.36Å
182	S	97	Very high	91.8	Very high	22 Å²	22	52.1 Å²	52.1	15%	0.154	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	154.5	-175.4	-58.2	0	0	0	0	111.9	I142 Y190 C191	I142-S182 PolarHBondContact N-O 3.02Å; S182-Y190 CarbonylContact C-O 3.55Å; S182-Y190 WeakPolarHBondContact CA-O 3.34Å; S182-Y190 VanDerWaalsContact CB-O 3.23Å; S182-Y190 WeakPolarHBondContact CB-O 3.48Å; S182-C191 PolarHBondContact OG-SG 2.99Å
183	A	96.7	Very high	93.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	155	172.8	0	0	0	0	0	110.8	E140 F141 V189 Y190 F214 L266	E140-A183 CarbonylContact O-C 3.52Å; E140-A183 WeakPolarHBondContact O-CA 3.39Å; F141-A183 HydrophobicContact CD1-CB 3.95Å; F141-A183 HydrophobicContact CE1-CB 4.34Å; A183-V189 WeakPolarHBondContact O-CA 3.44Å; A183-Y190 PolarHBondContact N-O 2.78Å; A183-Y190 PolarHBondContact O-N 3.48Å; A183-F214 HydrophobicContact CB-CD1 3.81Å; A183-F214 HydrophobicContact CB-CD2 4.49Å; A183-F214 HydrophobicContact CB-CE1 3.48Å; A183-F214 VanDerWaalsContact CB-CE1 3.48Å; A183-F214 HydrophobicContact CB-CE2 4.2Å; A183-F214 HydrophobicContact CB-CG 4.31Å; A183-F214 HydrophobicContact CB-CZ 3.68Å; A183-L266 HydrophobicContact CB-CD1 3.88Å; A183-L266 HydrophobicContact CB-CD2 3.71Å; A183-L266 HydrophobicContact CB-CG 4.48Å
184	K	96.5	Very high	95	Very high	48 Å²	48	46.5 Å²	46.5	21%	0.209	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.4	173.5	-155.1	178	162	-171.4	0	109.4	P139 E140 I142 N187 I188 V189	P139-K184 VanDerWaalsContact CA-O 3.3Å; P139-K184 WeakPolarHBondContact CA-O 3.22Å; E140-K184 HydrophobicContact CG-CB 3.81Å; E140-K184 HydrophobicContact CG-CD 4.49Å; E140-K184 PolarHBondContact N-O 3.11Å; E140-K184 VanDerWaalsContact N-O 3.17Å; E140-K184 PolarHBondContact O-N 2.84Å; E140-K184 WeakPolarHBondContact OE1-CD 3.45Å; I142-K184 HydrophobicContact CD1-CB 3.81Å; I142-K184 HydrophobicContact CD1-CD 4.38Å; I142-K184 HydrophobicContact CD1-CG 4.24Å; I142-K184 HydrophobicContact CG1-CB 4.08Å; K184-N187 WeakPolarHBondContact CE-OD1 3.23Å; K184-N187 PolarHBondContact NZ-OD1 3.41Å; K184-N187 VanDerWaalsContact NZ-OD1 3.14Å; K184-I188 WeakPolarHBondContact CA-O 3.49Å; K184-V189 HydrophobicContact CG-CG2 4.49Å
185	V	94.3	Very high	95.4	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	130.4	172.6	-172.3	0	0	0	0	107.3	P139 N187 I188 Y190 L266 I269	P139-V185 HydrophobicContact CB-CG2 4.26Å; V185-N187 PolarHBondContact O-N 2.89Å; V185-N187 VanDerWaalsContact O-N 3.14Å; V185-I188 PolarHBondContact N-O 2.94Å; V185-I188 PolarHBondContact O-N 2.77Å; V185-Y190 HydrophobicContact CB-CD2 4.36Å; V185-Y190 HydrophobicContact CB-CE2 3.92Å; V185-Y190 HydrophobicContact CG2-CD2 4.37Å; V185-Y190 HydrophobicContact CG2-CE2 4.39Å; V185-L266 HydrophobicContact CG2-CB 4.08Å; V185-I269 HydrophobicContact CG2-CB 4.36Å; V185-I269 HydrophobicContact CG2-CD1 4.26Å
186	D	90.9	Very high	95.7	Very high	52 Å²	52	41.4 Å²	41.4	28%	0.278	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	43.1	179.7	-65.3	-19.6	0	0	0	113.7	R129 I188	R129-D186 IonicContact CZ-OD2 4Å; R129-D186 VanDerWaalsContact CZ-OD2 3.28Å; R129-D186 IonicContact NH1-OD1 3.79Å; R129-D186 PolarHBondContact NH1-OD1 3.03Å; R129-D186 IonicContact NH1-OD2 2.68Å; R129-D186 PolarHBondContact NH1-OD2 2.97Å; R129-D186 IonicContact NH2-OD2 3.28Å; R129-D186 PolarHBondContact NH2-OD2 3.09Å; D186-I188 PolarHBondContact O-N 3.17Å
187	N	90.6	Very high	95.8	Very high	95 Å²	95	44.2 Å²	44.2	51%	0.508	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	66	7.3	-177	-70.6	-43	0	0	0	117.6	H137 K184 V185	H137-N187 PolarHBondContact CD2-ND2 2.91Å; H137-N187 VanDerWaalsContact CD2-ND2 3.3Å; H137-N187 PolarHBondContact CD2-OD1 2.95Å; K184-N187 WeakPolarHBondContact CE-OD1 3.23Å; K184-N187 PolarHBondContact NZ-OD1 3.41Å; K184-N187 VanDerWaalsContact NZ-OD1 3.14Å; V185-N187 PolarHBondContact O-N 2.89Å; V185-N187 VanDerWaalsContact O-N 3.14Å
188	I	94.6	Very high	95.9	Very high	74 Å²	74	38 Å²	38	38%	0.379	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	135.3	175	-58.6	175	0	0	0	109.4	K184 V185 D186 Y190	K184-I188 WeakPolarHBondContact CA-O 3.49Å; V185-I188 PolarHBondContact N-O 2.94Å; V185-I188 PolarHBondContact O-N 2.77Å; D186-I188 PolarHBondContact O-N 3.17Å; I188-Y190 HydrophobicContact CB-CE2 3.75Å; I188-Y190 HydrophobicContact CG2-CD2 4.36Å; I188-Y190 HydrophobicContact CG2-CE1 4.15Å; I188-Y190 HydrophobicContact CG2-CE2 3.76Å; I188-Y190 WeakPolarHBondContact O-CD2 3.41Å; I188-Y190 WeakPolarHBondContact O-CE2 3.48Å
189	V	96	Very high	95.9	Very high	63 Å²	63	40.8 Å²	40.8	38%	0.382	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	125.9	175.1	-179.2	0	0	0	0	110	I142 A183 K184 K272	I142-V189 HydrophobicContact CD1-CB 4.22Å; I142-V189 HydrophobicContact CD1-CG1 3.83Å; I142-V189 HydrophobicContact CD1-CG2 3.49Å; I142-V189 VanDerWaalsContact CD1-CG2 3.49Å; A183-V189 WeakPolarHBondContact O-CA 3.44Å; K184-V189 HydrophobicContact CG-CG2 4.49Å; V189-K272 WeakPolarHBondContact O-CE 3.38Å; V189-K272 PolarHBondContact O-NZ 2.97Å
190	Y	97.6	Very high	95.5	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	145.5	175.3	-58.7	-90.3	0	0	0	109.5	S182 A183 V185 I188 D194 V196 I211 I269 S271 K272	S182-Y190 CarbonylContact C-O 3.55Å; S182-Y190 WeakPolarHBondContact CA-O 3.34Å; S182-Y190 VanDerWaalsContact CB-O 3.23Å; S182-Y190 WeakPolarHBondContact CB-O 3.48Å; A183-Y190 PolarHBondContact N-O 2.78Å; A183-Y190 PolarHBondContact O-N 3.48Å; V185-Y190 HydrophobicContact CB-CD2 4.36Å; V185-Y190 HydrophobicContact CB-CE2 3.92Å; V185-Y190 HydrophobicContact CG2-CD2 4.37Å; V185-Y190 HydrophobicContact CG2-CE2 4.39Å; I188-Y190 HydrophobicContact CB-CE2 3.75Å; I188-Y190 HydrophobicContact CG2-CD2 4.36Å; I188-Y190 HydrophobicContact CG2-CE1 4.15Å; I188-Y190 HydrophobicContact CG2-CE2 3.76Å; I188-Y190 WeakPolarHBondContact O-CD2 3.41Å; I188-Y190 WeakPolarHBondContact O-CE2 3.48Å; Y190-D194 WeakPolarHBondContact CA-OD2 3.38Å; Y190-V196 HydrophobicContact CD1-CG1 3.55Å; Y190-V196 HydrophobicContact CE1-CG1 3.73Å; Y190-I211 HydrophobicContact CD1-CD1 4.49Å; Y190-I269 HydrophobicContact CD1-CG2 3.94Å; Y190-I269 HydrophobicContact CD2-CG2 4.17Å; Y190-I269 HydrophobicContact CE1-CG2 3.47Å; Y190-I269 VanDerWaalsContact CE1-CG2 3.47Å; Y190-I269 HydrophobicContact CE2-CG2 3.76Å; Y190-I269 HydrophobicContact CG-CG2 4.26Å; Y190-S271 WeakPolarHBondContact OH-CA 3.48Å; Y190-K272 HydrophobicContact CD1-CG 3.78Å; Y190-K272 HydrophobicContact CE1-CG 3.53Å
191	C	97.4	Very high	94.9	Very high	47 Å²	47	40 Å²	40	32%	0.318	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	159.8	-177.8	-65.4	0	0	0	0	110.1	R181 S182 G193 D194	R181-C191 WeakPolarHBondContact O-CA 3.17Å; S182-C191 PolarHBondContact OG-SG 2.99Å; C191-G193 PolarHBondContact O-N 3.44Å; C191-D194 PolarHBondContact N-OD2 2.9Å; C191-D194 WeakPolarHBondContact O-CB 3.5Å; C191-D194 PolarHBondContact O-N 3.43Å; C191-D194 VanDerWaalsContact O-N 3.11Å
192	L	95.9	Very high	94.3	Very high	53 Å²	53	43 Å²	43	28%	0.277	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	134.3	169	-60.5	179.8	0	0	0	110.4	W155 R181 D194 I211 F214	W155-L192 HydrophobicContact CH2-CD1 4.48Å; W155-L192 HydrophobicContact CZ2-CD1 4.47Å; R181-L192 HydrophobicContact CB-CD1 4.48Å; R181-L192 HydrophobicContact CG-CD1 4.38Å; R181-L192 PolarHBondContact O-N 3.36Å; L192-D194 VanDerWaalsContact C-N 3.34Å; L192-I211 HydrophobicContact CD2-CG2 4.09Å; L192-F214 HydrophobicContact CD2-CD2 3.91Å
193	G	94.5	Very high	93.7	Very high	43 Å²	43	48.6 Å²	48.6	44%	0.443	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	-10.8	-177	0	0	0	0	0	115.2	C191 I211	C191-G193 PolarHBondContact O-N 3.44Å; G193-I211 PolarHBondContact N-O 3.36Å
194	D	97.4	Very high	93.1	Very high	39 Å²	39	52.5 Å²	52.5	21%	0.209	28%	0.28	C	S	.	.			trans	-63.8	140.8	170.7	-78.8	-38.3	0	0	0	110.5	Y190 C191 L192 I211 K272	Y190-D194 WeakPolarHBondContact CA-OD2 3.38Å; C191-D194 PolarHBondContact N-OD2 2.9Å; C191-D194 WeakPolarHBondContact O-CB 3.5Å; C191-D194 PolarHBondContact O-N 3.43Å; C191-D194 VanDerWaalsContact O-N 3.11Å; L192-D194 VanDerWaalsContact C-N 3.34Å; D194-I211 HydrophobicContact CB-CD1 4.3Å; D194-I211 PolarHBondContact O-N 2.93Å; D194-K272 IonicContact OD1-NZ 2.78Å; D194-K272 PolarHBondContact OD1-NZ 3.32Å; D194-K272 WeakPolarHBondContact OD2-CE 3.34Å; D194-K272 IonicContact OD2-NZ 2.89Å; D194-K272 PolarHBondContact OD2-NZ 2.92Å
195	D	97.8	Very high	92.9	Very high	17 Å²	17	53.1 Å²	53.1	9%	0.091	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	132.1	171.5	-63.4	-44.9	0	0	0	109.6	G209 R210 F229 K272 V273 I275	D195-G209 WeakPolarHBondContact CA-O 3.37Å; D195-R210 VanDerWaalsContact OD1-CB 3.27Å; D195-R210 WeakPolarHBondContact OD1-CB 3.23Å; D195-R210 WeakPolarHBondContact OD1-CG 3.31Å; D195-R210 IonicContact OD1-CZ 3.7Å; D195-R210 IonicContact OD1-NE 3.14Å; D195-R210 PolarHBondContact OD1-NE 2.88Å; D195-R210 IonicContact OD1-NH2 3.62Å; D195-R210 PolarHBondContact OD1-NH2 3.5Å; D195-R210 IonicContact OD2-CZ 3.15Å; D195-R210 IonicContact OD2-NE 2.86Å; D195-R210 IonicContact OD2-NH2 2.69Å; D195-R210 PolarHBondContact OD2-NH2 3.44Å; D195-F229 WeakPolarHBondContact OD1-CE2 3.26Å; D195-K272 WeakPolarHBondContact O-CA 3.39Å; D195-V273 HydrophobicContact CB-CG1 4Å; D195-V273 WeakPolarHBondContact CB-O 3.41Å; D195-V273 PolarHBondContact O-N 3.39Å; D195-I275 HydrophobicContact CB-CB 4.3Å; D195-I275 HydrophobicContact CB-CD1 3.78Å; D195-I275 HydrophobicContact CB-CG1 3.79Å; D195-I275 WeakPolarHBondContact OD2-CB 3.05Å
196	V	97.5	Very high	92.9	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	150.1	-170.8	-63.8	0	0	0	0	113	Y190 V198 G209 I211 I269 S271	Y190-V196 HydrophobicContact CD1-CG1 3.55Å; Y190-V196 HydrophobicContact CE1-CG1 3.73Å; V196-V198 HydrophobicContact CG2-CG2 3.87Å; V196-G209 WeakPolarHBondContact CG2-O 3Å; V196-G209 PolarHBondContact N-O 3.44Å; V196-G209 PolarHBondContact O-N 3Å; V196-I211 HydrophobicContact CG1-CD1 3.67Å; V196-I211 HydrophobicContact CG1-CG1 4.32Å; V196-I211 HydrophobicContact CG2-CD1 4.09Å; V196-I211 HydrophobicContact CG2-CG1 3.92Å; V196-I269 HydrophobicContact CB-CG2 4.28Å; V196-I269 HydrophobicContact CG1-CG2 4.17Å; V196-S271 CarbonylContact C-O 3.5Å; V196-S271 VanDerWaalsContact CA-O 3.25Å; V196-S271 WeakPolarHBondContact CA-O 3.32Å; V196-S271 WeakPolarHBondContact CB-O 3.4Å
197	Y	97.6	Very high	93.1	Very high	66 Å²	66	53.8 Å²	53.8	26%	0.259	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	132.9	159.6	-75.7	-70.1	0	0	0	109.9	D206 Y207 I208 I270 S271 V273	Y197-D206 HydrophobicContact CD1-CB 4.22Å; Y197-Y207 CarbonylContact C-O 3.57Å; Y197-Y207 WeakPolarHBondContact CA-O 3.33Å; Y197-I208 HydrophobicContact CD1-CG1 3.84Å; Y197-I208 HydrophobicContact CE1-CD1 4.12Å; Y197-I208 HydrophobicContact CE1-CG1 3.56Å; Y197-I270 WeakPolarHBondContact O-CB 3.48Å; Y197-I270 PolarHBondContact O-N 2.74Å; Y197-S271 PolarHBondContact N-O 3.26Å; Y197-V273 HydrophobicContact CD2-CB 3.96Å; Y197-V273 HydrophobicContact CD2-CG1 4.37Å; Y197-V273 HydrophobicContact CE2-CB 3.7Å; Y197-V273 HydrophobicContact CE2-CG1 4.37Å; Y197-V273 HydrophobicContact CE2-CG2 3.79Å
198	V	95.7	Very high	93.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.5	179	-176.9	0	0	0	0	109.5	V126 V196 A200 D206 Y207 F224 W228 C268	V126-V198 HydrophobicContact CG1-CG1 4.38Å; V196-V198 HydrophobicContact CG2-CG2 3.87Å; V198-A200 PolarHBondContact O-N 3.11Å; V198-D206 CarbonylContact O-C 3.54Å; V198-Y207 PolarHBondContact N-O 3.14Å; V198-Y207 PolarHBondContact O-N 2.83Å; V198-F224 HydrophobicContact CG1-CZ 3.99Å; V198-F224 HydrophobicContact CG2-CE2 3.95Å; V198-F224 HydrophobicContact CG2-CZ 3.91Å; V198-W228 HydrophobicContact CB-CH2 4.19Å; V198-W228 HydrophobicContact CB-CZ3 4.02Å; V198-W228 HydrophobicContact CG1-CH2 4.11Å; V198-W228 HydrophobicContact CG1-CZ3 4.45Å; V198-W228 HydrophobicContact CG2-CH2 4.24Å; V198-W228 HydrophobicContact CG2-CZ3 3.9Å; V198-C268 CarbonylContact C-O 3.54Å; V198-C268 WeakPolarHBondContact CA-O 3.2Å; V198-C268 HydrophobicContact CG1-CB 3.92Å
199	K	93.4	Very high	93.5	Very high	82 Å²	82	45.9 Å²	45.9	36%	0.357	26%	0.255	S	S	.	.			trans	-61.6	120.2	-175.2	-168.8	70.8	-150.7	147.5	0	112.4	V126 D206 C268 I270	V126-K199 WeakPolarHBondContact CG1-O 3.43Å; K199-D206 IonicContact NZ-OD1 3.9Å; K199-D206 PolarHBondContact NZ-OD1 2.82Å; K199-D206 IonicContact NZ-OD2 3.82Å; K199-C268 PolarHBondContact N-O 2.95Å; K199-I270 HydrophobicContact CB-CD1 4.13Å; K199-I270 HydrophobicContact CB-CG1 4.17Å; K199-I270 HydrophobicContact CD-CD1 3.94Å; K199-I270 HydrophobicContact CD-CG1 4.49Å
200	A	90.4	Very high	93.6	Very high	2 Å²	2	45.6 Å²	45.6	2%	0.017	25%	0.247	C	C	.	.			trans	-85.8	176.5	172.4	0	0	0	0	0	112	V198 E204 A205 Y207	V198-A200 PolarHBondContact O-N 3.11Å; A200-E204 HydrophobicContact CB-CB 3.56Å; A200-A205 VanDerWaalsContact CB-O 3.25Å; A200-A205 WeakPolarHBondContact CB-O 3.42Å; A200-Y207 HydrophobicContact CB-CD2 3.8Å; A200-Y207 HydrophobicContact CB-CE1 4.35Å; A200-Y207 HydrophobicContact CB-CE2 3.55Å; A200-Y207 HydrophobicContact CB-CG 4.32Å
201	G	84.3	Confident	93.6	Very high	17 Å²	17	45.7 Å²	45.7	18%	0.175	25%	0.248	C	C	.	.	S	Bend	trans	-61.6	172.7	174.3	0	0	0	0	0	113.4	N203 E204	G201-N203 PolarHBondContact O-N 3.2Å; G201-E204 PolarHBondContact N-OE2 2.94Å; G201-E204 PolarHBondContact O-N 2.99Å; G201-E204 VanDerWaalsContact O-N 3.17Å
202	E	84.3	Confident	93.5	Very high	179 Å²	179	45.2 Å²	45.2	84%	0.836	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	126.5	176	-165.1	-177.4	172.8	0	0	110.4
203	N	83.1	Confident	93.6	Very high	140 Å²	140	43.3 Å²	43.3	75%	0.749	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	16	-175	-47.6	-67.6	0	0	0	116.5	G201	G201-N203 PolarHBondContact O-N 3.2Å
204	E	86	Confident	93.7	Very high	82 Å²	82	41.2 Å²	41.2	38%	0.383	21%	0.212	S	C	.	.	S	Bend	trans	-104.7	151	170.8	-69.4	179.4	-175.5	0	0	111.5	A200 G201 Y207	A200-E204 HydrophobicContact CB-CB 3.56Å; G201-E204 PolarHBondContact N-OE2 2.94Å; G201-E204 PolarHBondContact O-N 2.99Å; G201-E204 VanDerWaalsContact O-N 3.17Å; E204-Y207 PolarHBondContact OE2-OH 2.84Å
205	A	90.7	Very high	93.7	Very high	62 Å²	62	39.4 Å²	39.4	51%	0.512	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-70.7	135.6	171.1	0	0	0	0	0	109.7	A200 Y207 R231	A200-A205 VanDerWaalsContact CB-O 3.25Å; A200-A205 WeakPolarHBondContact CB-O 3.42Å; A205-Y207 PolarHBondContact O-N 3.2Å; A205-R231 PolarHBondContact O-NH2 3.1Å
206	D	95	Very high	93.6	Very high	47 Å²	47	40.1 Å²	40.1	25%	0.251	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-53.6	136	179.6	-63.5	-36.7	0	0	0	110.3	Y197 V198 K199 R231 I270	Y197-D206 HydrophobicContact CD1-CB 4.22Å; V198-D206 CarbonylContact O-C 3.54Å; K199-D206 IonicContact NZ-OD1 3.9Å; K199-D206 PolarHBondContact NZ-OD1 2.82Å; K199-D206 IonicContact NZ-OD2 3.82Å; D206-R231 PolarHBondContact O-NH1 2.98Å; D206-R231 PolarHBondContact O-NH2 3.21Å; D206-I270 HydrophobicContact CB-CD1 3.84Å; D206-I270 WeakPolarHBondContact OD1-CD1 3.48Å; D206-I270 VanDerWaalsContact OD2-CD1 3.24Å; D206-I270 WeakPolarHBondContact OD2-CD1 3.44Å
207	Y	95.2	Very high	93.4	Very high	21 Å²	21	40.1 Å²	40.1	8%	0.082	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	155.1	-179.9	-58	-62.3	0	0	0	110.3	K124 V126 Y197 V198 A200 E204 A205	K124-Y207 HydrophobicContact CB-CD2 4.43Å; K124-Y207 HydrophobicContact CB-CE1 4.17Å; K124-Y207 HydrophobicContact CB-CE2 3.86Å; K124-Y207 HydrophobicContact CD-CD1 3.51Å; K124-Y207 HydrophobicContact CD-CD2 4.25Å; K124-Y207 HydrophobicContact CD-CE1 3.62Å; K124-Y207 HydrophobicContact CD-CE2 4.33Å; K124-Y207 HydrophobicContact CD-CG 3.85Å; K124-Y207 HydrophobicContact CG-CD1 4.15Å; K124-Y207 HydrophobicContact CG-CE1 3.7Å; K124-Y207 HydrophobicContact CG-CE2 4.3Å; V126-Y207 HydrophobicContact CG2-CD2 4.49Å; V126-Y207 HydrophobicContact CG2-CE2 4.33Å; Y197-Y207 CarbonylContact C-O 3.57Å; Y197-Y207 WeakPolarHBondContact CA-O 3.33Å; V198-Y207 PolarHBondContact N-O 3.14Å; V198-Y207 PolarHBondContact O-N 2.83Å; A200-Y207 HydrophobicContact CB-CD2 3.8Å; A200-Y207 HydrophobicContact CB-CE1 4.35Å; A200-Y207 HydrophobicContact CB-CE2 3.55Å; A200-Y207 HydrophobicContact CB-CG 4.32Å; E204-Y207 PolarHBondContact OE2-OH 2.84Å; A205-Y207 PolarHBondContact O-N 3.2Å
208	I	97.7	Very high	93.2	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.015	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.6	178	-58.3	157.9	0	0	0	107.6	Y197 F229 R231 V255 V273 I275 L296	Y197-I208 HydrophobicContact CD1-CG1 3.84Å; Y197-I208 HydrophobicContact CE1-CD1 4.12Å; Y197-I208 HydrophobicContact CE1-CG1 3.56Å; I208-F229 HydrophobicContact CB-CB 4.02Å; I208-F229 HydrophobicContact CG2-CB 3.82Å; I208-F229 HydrophobicContact CG2-CD2 3.82Å; I208-F229 HydrophobicContact CG2-CG 4.09Å; I208-F229 PolarHBondContact O-N 3.32Å; I208-R231 HydrophobicContact CD1-CG 4.24Å; I208-V255 HydrophobicContact CD1-CG1 4.14Å; I208-V273 HydrophobicContact CG2-CG1 4.4Å; I208-I275 HydrophobicContact CG2-CD1 3.4Å; I208-L296 HydrophobicContact CD1-CD1 3.67Å; I208-L296 HydrophobicContact CG1-CD1 4.36Å; I208-L296 HydrophobicContact CG2-CD1 4.27Å
209	G	96.8	Very high	93	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	151.1	-176.7	0	0	0	0	0	113.7	D195 V196 R227	D195-G209 WeakPolarHBondContact CA-O 3.37Å; V196-G209 WeakPolarHBondContact CG2-O 3Å; V196-G209 PolarHBondContact N-O 3.44Å; V196-G209 PolarHBondContact O-N 3Å; G209-R227 CarbonylContact C-O 3.59Å; G209-R227 VanDerWaalsContact CA-O 3.25Å; G209-R227 WeakPolarHBondContact CA-O 3.32Å
210	R	97.6	Very high	92.8	Very high	57 Å²	57	49.9 Å²	49.9	22%	0.215	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	125.9	170.1	-177.8	162	-70	170.3	-2.1	109.5	D195 T212 C226 R227 F229 Y298	D195-R210 VanDerWaalsContact OD1-CB 3.27Å; D195-R210 WeakPolarHBondContact OD1-CB 3.23Å; D195-R210 WeakPolarHBondContact OD1-CG 3.31Å; D195-R210 IonicContact OD1-CZ 3.7Å; D195-R210 IonicContact OD1-NE 3.14Å; D195-R210 PolarHBondContact OD1-NE 2.88Å; D195-R210 IonicContact OD1-NH2 3.62Å; D195-R210 PolarHBondContact OD1-NH2 3.5Å; D195-R210 IonicContact OD2-CZ 3.15Å; D195-R210 IonicContact OD2-NE 2.86Å; D195-R210 IonicContact OD2-NH2 2.69Å; D195-R210 PolarHBondContact OD2-NH2 3.44Å; R210-T212 PolarHBondContact O-N 2.8Å; R210-C226 CarbonylContact O-C 3.56Å; R210-C226 VanDerWaalsContact O-CA 3.28Å; R210-C226 WeakPolarHBondContact O-CA 3.47Å; R210-R227 PolarHBondContact N-O 2.68Å; R210-R227 PolarHBondContact O-N 2.75Å; R210-F229 HydrophobicContact CB-CE2 4.01Å; R210-Y298 PolarHBondContact NH1-OH 3.36Å
211	I	97.2	Very high	92.9	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	122.3	-179.2	-62.5	165.5	0	0	0	109.8	Y190 L192 G193 D194 V196 F214 F224 I269	Y190-I211 HydrophobicContact CD1-CD1 4.49Å; L192-I211 HydrophobicContact CD2-CG2 4.09Å; G193-I211 PolarHBondContact N-O 3.36Å; D194-I211 HydrophobicContact CB-CD1 4.3Å; D194-I211 PolarHBondContact O-N 2.93Å; V196-I211 HydrophobicContact CG1-CD1 3.67Å; V196-I211 HydrophobicContact CG1-CG1 4.32Å; V196-I211 HydrophobicContact CG2-CD1 4.09Å; V196-I211 HydrophobicContact CG2-CG1 3.92Å; I211-F214 HydrophobicContact CD1-CE2 4.37Å; I211-F214 HydrophobicContact CD1-CZ 3.8Å; I211-F214 HydrophobicContact CG2-CD2 4.15Å; I211-F214 HydrophobicContact CG2-CE1 4.31Å; I211-F214 HydrophobicContact CG2-CE2 3.8Å; I211-F214 HydrophobicContact CG2-CZ 3.9Å; I211-F224 HydrophobicContact CG1-CD2 4.31Å; I211-I269 HydrophobicContact CD1-CD1 4.34Å
212	T	96	Very high	93.5	Very high	37 Å²	37	54.2 Å²	54.2	23%	0.227	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-22.5	177.8	57.5	0	0	0	0	113.5	R210 T225 R227	R210-T212 PolarHBondContact O-N 2.8Å; T212-T225 PolarHBondContact N-O 3.23Å; T212-T225 PolarHBondContact OG1-O 2.73Å; T212-R227 HydrophobicContact CG2-CB 3.88Å
213	E	96.5	Very high	94.1	Very high	13 Å²	13	47.1 Å²	47.1	6%	0.061	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	147.4	179.6	-59.4	173.2	-92.5	0	0	110.8	W155 R158 H179 F215 F224 T225	W155-E213 VanDerWaalsContact CD1-CD 3.48Å; W155-E213 HydrophobicContact CD2-CG 4.45Å; W155-E213 HydrophobicContact CG-CG 4.27Å; W155-E213 HydrophobicContact CZ2-CG 4.49Å; W155-E213 VanDerWaalsContact NE1-CG 3.31Å; R158-E213 IonicContact CZ-OE1 3.03Å; R158-E213 IonicContact CZ-OE2 2.8Å; R158-E213 IonicContact NE-OE1 2.66Å; R158-E213 IonicContact NE-OE2 3.02Å; R158-E213 PolarHBondContact NE-OE2 3.28Å; R158-E213 IonicContact NH2-OE1 3.23Å; R158-E213 PolarHBondContact NH2-OE1 3.44Å; R158-E213 IonicContact NH2-OE2 3.4Å; R158-E213 PolarHBondContact NH2-OE2 2.9Å; H179-E213 IonicContact NE2-OE2 3.13Å; H179-E213 PolarHBondContact NE2-OE2 3.48Å; E213-F215 HydrophobicContact CB-CD1 4.11Å; E213-F224 CarbonylContact O-C 3.57Å; E213-F224 WeakPolarHBondContact O-CA 3.46Å; E213-F224 WeakPolarHBondContact O-CB 3.49Å; E213-T225 WeakPolarHBondContact CB-OG1 3.11Å; E213-T225 VanDerWaalsContact CD-OG1 3.29Å; E213-T225 PolarHBondContact N-O 3.38Å; E213-T225 PolarHBondContact O-N 3.28Å; E213-T225 WeakPolarHBondContact OE1-CB 3.26Å; E213-T225 WeakPolarHBondContact OE1-CG2 3.28Å; E213-T225 PolarHBondContact OE1-OG1 3.26Å
214	F	97.6	Very high	94.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	126.8	158.7	-81.1	-57.5	0	0	0	107.7	F141 H179 Y180 A183 L192 I211 F224 L266 I269	F141-F214 HydrophobicContact CD1-CB 4.13Å; F141-F214 HydrophobicContact CD1-CD1 4.49Å; F141-F214 HydrophobicContact CD1-CG 4.5Å; F141-F214 HydrophobicContact CE1-CB 3.76Å; F141-F214 AromaticContact CE1-CD1 3.92Å; F141-F214 HydrophobicContact CE1-CD1 3.92Å; F141-F214 HydrophobicContact CE1-CG 4.18Å; H179-F214 CarbonylContact C-O 3.51Å; H179-F214 VanDerWaalsContact CA-O 3.25Å; H179-F214 WeakPolarHBondContact CA-O 3.32Å; Y180-F214 PolarHBondContact N-O 3.33Å; A183-F214 HydrophobicContact CB-CD1 3.81Å; A183-F214 HydrophobicContact CB-CD2 4.49Å; A183-F214 HydrophobicContact CB-CE1 3.48Å; A183-F214 VanDerWaalsContact CB-CE1 3.48Å; A183-F214 HydrophobicContact CB-CE2 4.2Å; A183-F214 HydrophobicContact CB-CG 4.31Å; A183-F214 HydrophobicContact CB-CZ 3.68Å; L192-F214 HydrophobicContact CD2-CD2 3.91Å; I211-F214 HydrophobicContact CD1-CE2 4.37Å; I211-F214 HydrophobicContact CD1-CZ 3.8Å; I211-F214 HydrophobicContact CG2-CD2 4.15Å; I211-F214 HydrophobicContact CG2-CE1 4.31Å; I211-F214 HydrophobicContact CG2-CE2 3.8Å; I211-F214 HydrophobicContact CG2-CZ 3.9Å; F214-F224 HydrophobicContact CD1-CB 3.49Å; F214-F224 VanDerWaalsContact CD1-CB 3.49Å; F214-F224 HydrophobicContact CE1-CB 3.5Å; F214-F224 VanDerWaalsContact CE1-CB 3.5Å; F214-F224 HydrophobicContact CE1-CG 4.35Å; F214-L266 HydrophobicContact CD1-CD2 3.64Å; F214-L266 HydrophobicContact CE1-CD2 3.42Å; F214-L266 VanDerWaalsContact CE1-CD2 3.42Å; F214-I269 HydrophobicContact CE1-CD1 4.13Å; F214-I269 HydrophobicContact CZ-CD1 4.39Å
215	F	96.7	Very high	95.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	146.7	-177.6	68	-85.3	0	0	0	113.4	F141 L174 A176 C178 E213 Y223 D263	F141-F215 VanDerWaalsContact CZ-C 3.44Å; F141-F215 VanDerWaalsContact CZ-O 3.23Å; F141-F215 WeakPolarHBondContact CZ-O 3.45Å; L174-F215 HydrophobicContact CB-CE2 4.1Å; L174-F215 HydrophobicContact CB-CZ 4.15Å; A176-F215 HydrophobicContact CB-CB 4Å; A176-F215 HydrophobicContact CB-CD2 3.78Å; A176-F215 HydrophobicContact CB-CG 4.17Å; C178-F215 VanDerWaalsContact O-CA 3.29Å; C178-F215 WeakPolarHBondContact O-CA 3.38Å; C178-F215 WeakPolarHBondContact O-CB 3.35Å; E213-F215 HydrophobicContact CB-CD1 4.11Å; F215-Y223 HydrophobicContact CD2-CD2 4.33Å; F215-Y223 AromaticContact CE2-CD2 3.77Å; F215-Y223 HydrophobicContact CE2-CD2 3.77Å; F215-Y223 AromaticContact CE2-CG 3.99Å; F215-Y223 HydrophobicContact CE2-CG 3.99Å; F215-Y223 VanDerWaalsContact CZ-CB 3.45Å; F215-Y223 HydrophobicContact CZ-CD2 4.23Å; F215-Y223 AromaticContact CZ-CG 3.97Å; F215-Y223 HydrophobicContact CZ-CG 3.97Å; F215-Y223 PolarHBondContact N-O 3.26Å; F215-Y223 PolarHBondContact O-N 3.13Å; F215-D263 HydrophobicContact CZ-CB 4.39Å
216	E	96.3	Very high	95.4	Very high	32 Å²	32	33.7 Å²	33.7	15%	0.15	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	122.2	166.8	-171.4	-168.3	151.8	0	0	108.1	F141 A176 R177 C178 Y180 C221	F141-E216 HydrophobicContact CE2-CB 4.1Å; A176-E216 CarbonylContact C-O 3.53Å; A176-E216 WeakPolarHBondContact CA-O 3.46Å; R177-E216 HydrophobicContact CB-CB 4.48Å; R177-E216 WeakPolarHBondContact CD-OE1 3.41Å; R177-E216 IonicContact CZ-OE1 3.66Å; R177-E216 PolarHBondContact N-O 2.99Å; R177-E216 IonicContact NE-OE1 3.63Å; R177-E216 PolarHBondContact NE-OE1 3.38Å; R177-E216 IonicContact NE-OE2 2.79Å; R177-E216 IonicContact NH2-OE1 2.72Å; C178-E216 PolarHBondContact O-N 3.49Å; Y180-E216 HydrophobicContact CE2-CB 4.41Å; E216-C221 WeakPolarHBondContact CA-O 3.11Å
217	G	93.9	Very high	95.4	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	161.9	177.9	0	0	0	0	0	112.5	K175 R177 D219 R220 C221	K175-G217 CarbonylContact O-C 3.59Å; K175-G217 WeakPolarHBondContact O-CA 3.41Å; R177-G217 WeakPolarHBondContact CD-O 3.34Å; G217-D219 WeakPolarHBondContact CA-OD1 3.37Å; G217-D219 PolarHBondContact O-N 3.01Å; G217-D219 VanDerWaalsContact O-N 3.15Å; G217-R220 WeakPolarHBondContact O-CA 3.48Å; G217-R220 PolarHBondContact O-N 2.72Å; G217-C221 PolarHBondContact N-O 3.16Å
218	T	91.9	Very high	95.5	Very high	92 Å²	92	32.5 Å²	32.5	56%	0.564	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.4	172.6	48.2	0	0	0	0	113.8	K175 R177 R220	K175-T218 HydrophobicContact CB-CG2 3.78Å; K175-T218 PolarHBondContact O-N 3.41Å; R177-T218 HydrophobicContact CG-CG2 4.38Å; T218-R220 VanDerWaalsContact C-N 3.25Å; T218-R220 PolarHBondContact O-N 2.88Å
219	D	91.5	Very high	95.5	Very high	82 Å²	82	32.3 Å²	32.3	44%	0.439	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-0.6	171.3	64	-3.3	0	0	0	114.1	G217 C221 Y223	G217-D219 WeakPolarHBondContact CA-OD1 3.37Å; G217-D219 PolarHBondContact O-N 3.01Å; G217-D219 VanDerWaalsContact O-N 3.15Å; D219-C221 VanDerWaalsContact C-N 3.25Å; D219-C221 PolarHBondContact O-N 3.39Å; D219-C221 PolarHBondContact OD1-N 3.04Å; D219-Y223 WeakPolarHBondContact OD1-CE2 3.47Å; D219-Y223 WeakPolarHBondContact OD2-CE2 3.3Å; D219-Y223 PolarHBondContact OD2-OH 2.84Å
220	R	90.7	Very high	95.5	Very high	179 Å²	179	32.7 Å²	32.7	68%	0.675	16%	0.156	S	C	*	.	S	Bend	trans	64.3	21.5	-175.7	-51.1	-174.2	-179.8	-170.6	-0.3	114.7	G217 T218	G217-R220 WeakPolarHBondContact O-CA 3.48Å; G217-R220 PolarHBondContact O-N 2.72Å; T218-R220 VanDerWaalsContact C-N 3.25Å; T218-R220 PolarHBondContact O-N 2.88Å
221	C	92.8	Very high	95.5	Very high	42 Å²	42	31.6 Å²	31.6	28%	0.284	15%	0.152	S	C	.	.			trans	-86.6	151.3	168.9	-68.8	0	0	0	0	110.6	E216 G217 D219 Y223	E216-C221 WeakPolarHBondContact CA-O 3.11Å; G217-C221 PolarHBondContact N-O 3.16Å; D219-C221 VanDerWaalsContact C-N 3.25Å; D219-C221 PolarHBondContact O-N 3.39Å; D219-C221 PolarHBondContact OD1-N 3.04Å; C221-Y223 HydrophobicContact CB-CD2 4.2Å; C221-Y223 HydrophobicContact CB-CE1 4.41Å; C221-Y223 HydrophobicContact CB-CE2 3.4Å; C221-Y223 VanDerWaalsContact CB-CE2 3.4Å; C221-Y223 WeakPolarHBondContact CB-OH 3.41Å; C221-Y223 WeakPolarHBondContact O-CD2 3.46Å
222	H	95.4	Very high	95.4	Very high	68 Å²	68	31.9 Å²	31.9	32%	0.315	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	114	178.1	-56.3	154.7	0	0	0	110.1	P139 F141 V265 L266	P139-H222 PolarHBondContact O-CE1 2.97Å; P139-H222 PolarHBondContact O-ND1 3.45Å; F141-H222 AromaticContact CD2-CD2 3.9Å; F141-H222 HydrophobicContact CE2-CB 3.72Å; F141-H222 AromaticContact CE2-CD2 3.49Å; F141-H222 VanDerWaalsContact CE2-CD2 3.49Å; F141-H222 WeakPolarHBondContact CE2-CD2 3.19Å; F141-H222 AromaticContact CE2-CG 3.75Å; F141-H222 HydrophobicContact CZ-CB 3.76Å; H222-V265 WeakPolarHBondContact O-CA 3.35Å; H222-L266 HydrophobicContact CB-CB 4.45Å; H222-L266 HydrophobicContact CB-CD1 3.52Å; H222-L266 HydrophobicContact CB-CG 3.77Å; H222-L266 PolarHBondContact O-N 3.14Å
223	Y	96.7	Very high	95.4	Very high	30 Å²	30	34.2 Å²	34.2	12%	0.118	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	156	-177.9	-63.9	-77.7	0	0	0	112.8	L174 F215 D219 C221 N264 V265	L174-Y223 HydrophobicContact CD2-CD1 3.86Å; L174-Y223 HydrophobicContact CD2-CD2 3.93Å; L174-Y223 HydrophobicContact CD2-CE1 3.52Å; L174-Y223 HydrophobicContact CD2-CE2 3.57Å; L174-Y223 HydrophobicContact CD2-CG 4.07Å; F215-Y223 HydrophobicContact CD2-CD2 4.33Å; F215-Y223 AromaticContact CE2-CD2 3.77Å; F215-Y223 HydrophobicContact CE2-CD2 3.77Å; F215-Y223 AromaticContact CE2-CG 3.99Å; F215-Y223 HydrophobicContact CE2-CG 3.99Å; F215-Y223 VanDerWaalsContact CZ-CB 3.45Å; F215-Y223 HydrophobicContact CZ-CD2 4.23Å; F215-Y223 AromaticContact CZ-CG 3.97Å; F215-Y223 HydrophobicContact CZ-CG 3.97Å; F215-Y223 PolarHBondContact N-O 3.26Å; F215-Y223 PolarHBondContact O-N 3.13Å; D219-Y223 WeakPolarHBondContact OD1-CE2 3.47Å; D219-Y223 WeakPolarHBondContact OD2-CE2 3.3Å; D219-Y223 PolarHBondContact OD2-OH 2.84Å; C221-Y223 HydrophobicContact CB-CD2 4.2Å; C221-Y223 HydrophobicContact CB-CE1 4.41Å; C221-Y223 HydrophobicContact CB-CE2 3.4Å; C221-Y223 VanDerWaalsContact CB-CE2 3.4Å; C221-Y223 WeakPolarHBondContact CB-OH 3.41Å; C221-Y223 WeakPolarHBondContact O-CD2 3.46Å; Y223-N264 CarbonylContact C-O 3.57Å; Y223-N264 VanDerWaalsContact CA-O 3.22Å; Y223-N264 WeakPolarHBondContact CA-O 3.37Å; Y223-V265 HydrophobicContact CD1-CG1 4.06Å; Y223-V265 HydrophobicContact CE1-CG1 3.68Å
224	F	96.9	Very high	95.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	148.9	161.5	73.8	-78	0	0	0	109.7	V198 I211 E213 F214 C226 N264 V265 L266 C268 I269	V198-F224 HydrophobicContact CG1-CZ 3.99Å; V198-F224 HydrophobicContact CG2-CE2 3.95Å; V198-F224 HydrophobicContact CG2-CZ 3.91Å; I211-F224 HydrophobicContact CG1-CD2 4.31Å; E213-F224 CarbonylContact O-C 3.57Å; E213-F224 WeakPolarHBondContact O-CA 3.46Å; E213-F224 WeakPolarHBondContact O-CB 3.49Å; F214-F224 HydrophobicContact CD1-CB 3.49Å; F214-F224 VanDerWaalsContact CD1-CB 3.49Å; F214-F224 HydrophobicContact CE1-CB 3.5Å; F214-F224 VanDerWaalsContact CE1-CB 3.5Å; F214-F224 HydrophobicContact CE1-CG 4.35Å; F224-C226 HydrophobicContact CD2-CB 4.45Å; F224-C226 VanDerWaalsContact CD2-SG 3.57Å; F224-C226 HydrophobicContact CE2-CB 4.18Å; F224-C226 WeakPolarHBondContact CE2-SG 3.48Å; F224-N264 HydrophobicContact CD1-CB 3.99Å; F224-N264 VanDerWaalsContact CD1-O 3.26Å; F224-N264 WeakPolarHBondContact CD1-O 3.45Å; F224-N264 HydrophobicContact CE1-CB 3.42Å; F224-N264 VanDerWaalsContact CE1-CB 3.42Å; F224-N264 HydrophobicContact CE2-CB 4.28Å; F224-N264 HydrophobicContact CZ-CB 3.59Å; F224-N264 PolarHBondContact N-O 3.47Å; F224-N264 PolarHBondContact O-N 2.82Å; F224-V265 VanDerWaalsContact CE1-O 3.25Å; F224-V265 WeakPolarHBondContact CE1-O 3.43Å; F224-L266 HydrophobicContact CB-CD2 4.1Å; F224-L266 HydrophobicContact CD1-CD2 4.14Å; F224-C268 HydrophobicContact CE1-CB 4.24Å; F224-C268 HydrophobicContact CZ-CB 4.44Å; F224-I269 HydrophobicContact CD1-CD1 3.96Å; F224-I269 HydrophobicContact CD1-CG1 3.96Å; F224-I269 HydrophobicContact CD2-CD1 4.24Å; F224-I269 HydrophobicContact CD2-CG1 4.34Å; F224-I269 HydrophobicContact CE1-CD1 4.03Å; F224-I269 HydrophobicContact CE1-CG1 3.48Å; F224-I269 VanDerWaalsContact CE1-CG1 3.48Å; F224-I269 HydrophobicContact CE2-CD1 4.32Å; F224-I269 HydrophobicContact CE2-CG1 3.92Å; F224-I269 HydrophobicContact CG-CD1 4.06Å; F224-I269 HydrophobicContact CG-CG1 4.35Å; F224-I269 HydrophobicContact CZ-CD1 4.22Å; F224-I269 HydrophobicContact CZ-CG1 3.47Å; F224-I269 VanDerWaalsContact CZ-CG1 3.47Å
225	T	96.5	Very high	95.1	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133.5	171	-49.3	0	0	0	0	108.7	R158 T212 E213 K261 N262 D263	R158-T225 PolarHBondContact NH2-OG1 3.17Å; T212-T225 PolarHBondContact N-O 3.23Å; T212-T225 PolarHBondContact OG1-O 2.73Å; E213-T225 WeakPolarHBondContact CB-OG1 3.11Å; E213-T225 VanDerWaalsContact CD-OG1 3.29Å; E213-T225 PolarHBondContact N-O 3.38Å; E213-T225 PolarHBondContact O-N 3.28Å; E213-T225 WeakPolarHBondContact OE1-CB 3.26Å; E213-T225 WeakPolarHBondContact OE1-CG2 3.28Å; E213-T225 PolarHBondContact OE1-OG1 3.26Å; T225-K261 HydrophobicContact CG2-CB 4.08Å; T225-K261 HydrophobicContact CG2-CD 4.49Å; T225-N262 WeakPolarHBondContact CA-O 3.46Å; T225-D263 PolarHBondContact OG1-OD1 3.09Å
226	C	93.7	Very high	95	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	138.8	171.4	-91	0	0	0	0	111.6	R210 F224 W228 K261 N262	R210-C226 CarbonylContact O-C 3.56Å; R210-C226 VanDerWaalsContact O-CA 3.28Å; R210-C226 WeakPolarHBondContact O-CA 3.47Å; F224-C226 HydrophobicContact CD2-CB 4.45Å; F224-C226 VanDerWaalsContact CD2-SG 3.57Å; F224-C226 HydrophobicContact CE2-CB 4.18Å; F224-C226 WeakPolarHBondContact CE2-SG 3.48Å; C226-W228 HydrophobicContact CB-CE3 4.31Å; C226-W228 HydrophobicContact CB-CH2 4.27Å; C226-W228 HydrophobicContact CB-CZ3 4.09Å; C226-K261 VanDerWaalsContact O-CA 3.26Å; C226-K261 WeakPolarHBondContact O-CA 3.39Å; C226-N262 PolarHBondContact N-O 3.09Å; C226-N262 VanDerWaalsContact N-O 3.16Å; C226-N262 PolarHBondContact O-N 3.41Å
227	R	95	Very high	94.8	Very high	40 Å²	40	36 Å²	36	15%	0.151	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	127.1	160.9	177.5	-179.2	168.7	152.8	10.9	108.4	G209 R210 T212 L257 S258 E259 E260 K261	G209-R227 CarbonylContact C-O 3.59Å; G209-R227 VanDerWaalsContact CA-O 3.25Å; G209-R227 WeakPolarHBondContact CA-O 3.32Å; R210-R227 PolarHBondContact N-O 2.68Å; R210-R227 PolarHBondContact O-N 2.75Å; T212-R227 HydrophobicContact CG2-CB 3.88Å; R227-L257 HydrophobicContact CG-CD1 4.18Å; R227-L257 VanDerWaalsContact NE-CD1 3.34Å; R227-S258 WeakPolarHBondContact CD-O 3.44Å; R227-S258 WeakPolarHBondContact CG-O 3.41Å; R227-S258 PolarHBondContact NE-O 3.5Å; R227-S258 PolarHBondContact NH2-O 3.37Å; R227-E259 IonicContact CZ-OE1 3.42Å; R227-E259 IonicContact CZ-OE2 3.51Å; R227-E259 VanDerWaalsContact CZ-OE2 3.28Å; R227-E259 IonicContact NE-OE2 2.94Å; R227-E259 IonicContact NH1-OE1 2.82Å; R227-E259 PolarHBondContact NH1-OE1 3.24Å; R227-E259 IonicContact NH1-OE2 3.59Å; R227-E259 PolarHBondContact NH1-OE2 3.03Å; R227-E259 VanDerWaalsContact NH1-OE2 3.07Å; R227-E259 IonicContact NH2-OE1 2.83Å; R227-E259 PolarHBondContact NH2-OE1 3.43Å; R227-E259 IonicContact NH2-OE2 2.78Å; R227-E260 WeakPolarHBondContact CA-O 3.41Å; R227-K261 HydrophobicContact CB-CG 4.18Å
228	W	97.1	Very high	94.7	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	142.2	-170.5	-60.7	119.3	0	0	0	114.1	K124 V198 C226 F230 S258 E260 N262	K124-W228 HydrophobicContact CD-CD2 3.83Å; K124-W228 HydrophobicContact CD-CE3 4.36Å; K124-W228 HydrophobicContact CD-CG 4.09Å; K124-W228 HydrophobicContact CD-CZ2 3.98Å; K124-W228 VanDerWaalsContact NZ-CG 3.3Å; V198-W228 HydrophobicContact CB-CH2 4.19Å; V198-W228 HydrophobicContact CB-CZ3 4.02Å; V198-W228 HydrophobicContact CG1-CH2 4.11Å; V198-W228 HydrophobicContact CG1-CZ3 4.45Å; V198-W228 HydrophobicContact CG2-CH2 4.24Å; V198-W228 HydrophobicContact CG2-CZ3 3.9Å; C226-W228 HydrophobicContact CB-CE3 4.31Å; C226-W228 HydrophobicContact CB-CH2 4.27Å; C226-W228 HydrophobicContact CB-CZ3 4.09Å; W228-F230 HydrophobicContact CB-CD2 4.47Å; W228-F230 HydrophobicContact CB-CE2 4.13Å; W228-S258 WeakPolarHBondContact O-CB 3.17Å; W228-S258 PolarHBondContact O-N 3.4Å; W228-E260 PolarHBondContact N-O 3.29Å; W228-N262 HydrophobicContact CZ2-CB 3.93Å; W228-N262 PolarHBondContact NE1-OD1 3.48Å
229	F	97.7	Very high	94.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	145.5	157	-68.5	-90	0	0	0	109.6	D195 I208 R210 V255 F256 L257 I275 Y298	D195-F229 WeakPolarHBondContact OD1-CE2 3.26Å; I208-F229 HydrophobicContact CB-CB 4.02Å; I208-F229 HydrophobicContact CG2-CB 3.82Å; I208-F229 HydrophobicContact CG2-CD2 3.82Å; I208-F229 HydrophobicContact CG2-CG 4.09Å; I208-F229 PolarHBondContact O-N 3.32Å; R210-F229 HydrophobicContact CB-CE2 4.01Å; F229-V255 HydrophobicContact CB-CB 4.28Å; F229-V255 HydrophobicContact CB-CG2 4.3Å; F229-V255 HydrophobicContact CD1-CB 4.41Å; F229-V255 HydrophobicContact CD1-CG2 3.73Å; F229-V255 HydrophobicContact CE1-CG2 4.36Å; F229-V255 HydrophobicContact CG-CG2 4.26Å; F229-F256 CarbonylContact C-O 3.6Å; F229-F256 WeakPolarHBondContact CA-O 3.34Å; F229-L257 HydrophobicContact CD1-CB 4.07Å; F229-L257 HydrophobicContact CD1-CD1 4Å; F229-L257 HydrophobicContact CD2-CD1 4.44Å; F229-L257 HydrophobicContact CE1-CB 3.87Å; F229-L257 HydrophobicContact CE1-CD1 3.64Å; F229-L257 HydrophobicContact CE1-CG 4.28Å; F229-L257 HydrophobicContact CE2-CD1 4.11Å; F229-L257 HydrophobicContact CG-CD1 4.41Å; F229-L257 HydrophobicContact CZ-CD1 3.72Å; F229-I275 HydrophobicContact CD2-CD1 3.81Å; F229-I275 HydrophobicContact CE1-CD1 4.43Å; F229-I275 HydrophobicContact CE1-CG2 4Å; F229-I275 HydrophobicContact CE2-CD1 3.66Å; F229-I275 HydrophobicContact CG-CD1 4.25Å; F229-I275 HydrophobicContact CZ-CB 4.48Å; F229-I275 HydrophobicContact CZ-CD1 3.97Å; F229-I275 HydrophobicContact CZ-CG2 4.04Å; F229-Y298 AromaticContact CE1-CD1 3.83Å; F229-Y298 HydrophobicContact CE1-CD1 3.83Å; F229-Y298 HydrophobicContact CE1-CD2 4.42Å; F229-Y298 HydrophobicContact CE1-CE1 4.08Å; F229-Y298 HydrophobicContact CE1-CG 4Å; F229-Y298 HydrophobicContact CZ-CE1 4.38Å
230	F	97.4	Very high	94.5	Very high	7 Å²	7	35.6 Å²	35.6	3%	0.031	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128	175.1	-78.6	-113.5	0	0	0	108.7	W228 D234 T235 V255 F256 S258 E260 Y302	W228-F230 HydrophobicContact CB-CD2 4.47Å; W228-F230 HydrophobicContact CB-CE2 4.13Å; F230-D234 HydrophobicContact CB-CB 4.14Å; F230-D234 HydrophobicContact CD1-CB 3.63Å; F230-D234 VanDerWaalsContact CD1-O 3.3Å; F230-D234 WeakPolarHBondContact CD1-O 3.25Å; F230-D234 HydrophobicContact CE1-CB 4.39Å; F230-D234 WeakPolarHBondContact CE1-O 3.28Å; F230-D234 HydrophobicContact CG-CB 4.18Å; F230-T235 HydrophobicContact CB-CG2 4.03Å; F230-T235 HydrophobicContact CD1-CG2 4.29Å; F230-V255 CarbonylContact O-C 3.49Å; F230-V255 WeakPolarHBondContact O-CA 3.1Å; F230-F256 HydrophobicContact CB-CB 4.49Å; F230-F256 PolarHBondContact N-O 3.15Å; F230-F256 WeakPolarHBondContact O-CD2 3.46Å; F230-F256 PolarHBondContact O-N 2.87Å; F230-S258 VanDerWaalsContact CD2-CB 3.44Å; F230-E260 HydrophobicContact CE2-CB 4.39Å; F230-E260 HydrophobicContact CE2-CG 4.26Å; F230-E260 HydrophobicContact CZ-CG 4.26Å; F230-Y302 HydrophobicContact CB-CD1 4.18Å; F230-Y302 AromaticContact CD1-CD1 3.68Å; F230-Y302 HydrophobicContact CD1-CD1 3.68Å; F230-Y302 AromaticContact CD1-CE1 3.7Å; F230-Y302 HydrophobicContact CD1-CE1 3.7Å; F230-Y302 HydrophobicContact CD2-CD1 4.11Å; F230-Y302 HydrophobicContact CE1-CD1 4.06Å; F230-Y302 AromaticContact CE1-CE1 3.8Å; F230-Y302 HydrophobicContact CE1-CE1 3.8Å; F230-Y302 HydrophobicContact CE2-CD1 4.44Å; F230-Y302 AromaticContact CG-CD1 3.72Å; F230-Y302 HydrophobicContact CG-CD1 3.72Å; F230-Y302 HydrophobicContact CG-CE1 4.24Å; F230-Y302 HydrophobicContact CZ-CD1 4.42Å; F230-Y302 HydrophobicContact CZ-CE1 4.4Å
231	R	97.4	Very high	94.5	Very high	34 Å²	34	28.5 Å²	28.5	13%	0.128	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	163.5	157.1	-68.7	167.3	-76.3	-113.9	1.2	108.9	A205 D206 I208 E233 D234 T235 V255	A205-R231 PolarHBondContact O-NH2 3.1Å; D206-R231 PolarHBondContact O-NH1 2.98Å; D206-R231 PolarHBondContact O-NH2 3.21Å; I208-R231 HydrophobicContact CD1-CG 4.24Å; R231-E233 PolarHBondContact O-N 2.87Å; R231-D234 WeakPolarHBondContact CB-OD2 3.14Å; R231-D234 IonicContact CZ-OD1 3.02Å; R231-D234 IonicContact CZ-OD2 3.14Å; R231-D234 PolarHBondContact N-OD2 3.23Å; R231-D234 IonicContact NE-OD1 2.83Å; R231-D234 IonicContact NE-OD2 3.12Å; R231-D234 PolarHBondContact NE-OD2 2.9Å; R231-D234 VanDerWaalsContact NE-OD2 3.14Å; R231-D234 IonicContact NH2-OD1 3.96Å; R231-D234 PolarHBondContact NH2-OD1 2.93Å; R231-D234 IonicContact NH2-OD2 2.97Å; R231-D234 WeakPolarHBondContact O-CB 3.2Å; R231-D234 PolarHBondContact O-N 2.73Å; R231-T235 WeakPolarHBondContact O-CG2 3.17Å; R231-T235 PolarHBondContact O-N 3.32Å; R231-V255 HydrophobicContact CG-CG1 4.24Å
232	A	96.1	Very high	94.4	Very high	8 Å²	8	31.5 Å²	31.5	7%	0.066	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-56.1	-37.1	173.8	0	0	0	0	0	111.7	D234 T235 V241 H250 F256	A232-D234 VanDerWaalsContact C-N 3.3Å; A232-D234 PolarHBondContact O-N 2.99Å; A232-T235 PolarHBondContact O-N 2.82Å; A232-T235 PolarHBondContact O-OG1 2.85Å; A232-V241 HydrophobicContact CB-CG1 3.48Å; A232-V241 VanDerWaalsContact CB-CG1 3.48Å; A232-H250 HydrophobicContact CB-CB 4.46Å; A232-F256 HydrophobicContact CB-CE2 4.24Å
233	E	95	Very high	94.1	Very high	87 Å²	87	29 Å²	29	41%	0.407	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-65.8	-28.8	175.4	-57	96.6	-148.9	0	0	113.8	R231 T235 N238 V241	R231-E233 PolarHBondContact O-N 2.87Å; E233-T235 PolarHBondContact O-N 3.38Å; E233-N238 WeakPolarHBondContact O-CA 3.28Å; E233-V241 HydrophobicContact CB-CG1 4.45Å; E233-V241 HydrophobicContact CG-CB 4.36Å; E233-V241 HydrophobicContact CG-CG1 3.83Å; E233-V241 HydrophobicContact CG-CG2 3.72Å
234	D	94.2	Very high	93.8	Very high	53 Å²	53	31.6 Å²	31.6	28%	0.283	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-76.9	-15.2	-178.4	-57.1	-37.3	0	0	0	111.4	F230 R231 A232	F230-D234 HydrophobicContact CB-CB 4.14Å; F230-D234 HydrophobicContact CD1-CB 3.63Å; F230-D234 VanDerWaalsContact CD1-O 3.3Å; F230-D234 WeakPolarHBondContact CD1-O 3.25Å; F230-D234 HydrophobicContact CE1-CB 4.39Å; F230-D234 WeakPolarHBondContact CE1-O 3.28Å; F230-D234 HydrophobicContact CG-CB 4.18Å; R231-D234 WeakPolarHBondContact CB-OD2 3.14Å; R231-D234 IonicContact CZ-OD1 3.02Å; R231-D234 IonicContact CZ-OD2 3.14Å; R231-D234 PolarHBondContact N-OD2 3.23Å; R231-D234 IonicContact NE-OD1 2.83Å; R231-D234 IonicContact NE-OD2 3.12Å; R231-D234 PolarHBondContact NE-OD2 2.9Å; R231-D234 VanDerWaalsContact NE-OD2 3.14Å; R231-D234 IonicContact NH2-OD1 3.96Å; R231-D234 PolarHBondContact NH2-OD1 2.93Å; R231-D234 IonicContact NH2-OD2 2.97Å; R231-D234 WeakPolarHBondContact O-CB 3.2Å; R231-D234 PolarHBondContact O-N 2.73Å; A232-D234 VanDerWaalsContact C-N 3.3Å; A232-D234 PolarHBondContact O-N 2.99Å
235	T	95.2	Very high	93.5	Very high	8 Å²	8	31.7 Å²	31.7	5%	0.049	18%	0.178	C	C	.	.	S	Bend	trans	-83.8	179.8	178.7	75.1	0	0	0	0	111.8	F230 R231 A232 E233 I237 N238 F256 Y302 F309	F230-T235 HydrophobicContact CB-CG2 4.03Å; F230-T235 HydrophobicContact CD1-CG2 4.29Å; R231-T235 WeakPolarHBondContact O-CG2 3.17Å; R231-T235 PolarHBondContact O-N 3.32Å; A232-T235 PolarHBondContact O-N 2.82Å; A232-T235 PolarHBondContact O-OG1 2.85Å; E233-T235 PolarHBondContact O-N 3.38Å; T235-I237 PolarHBondContact O-N 3.39Å; T235-I237 WeakPolarHBondContact OG1-CB 3.48Å; T235-I237 PolarHBondContact OG1-N 3.34Å; T235-N238 PolarHBondContact O-N 3.42Å; T235-N238 VanDerWaalsContact O-N 3.09Å; T235-F256 HydrophobicContact CG2-CD2 4.37Å; T235-Y302 HydrophobicContact CG2-CD1 3.96Å; T235-Y302 HydrophobicContact CG2-CD2 3.91Å; T235-Y302 HydrophobicContact CG2-CE1 3.97Å; T235-Y302 HydrophobicContact CG2-CE2 3.91Å; T235-Y302 HydrophobicContact CG2-CG 3.92Å; T235-F309 HydrophobicContact CG2-CE1 3.93Å; T235-F309 HydrophobicContact CG2-CZ 3.74Å
236	V	93.2	Very high	93.3	Very high	21 Å²	21	36.4 Å²	36.4	13%	0.127	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-20.6	174.1	78.5	0	0	0	0	113.5	N238 Y302 K578 L581 F641	V236-N238 VanDerWaalsContact C-N 3.29Å; V236-N238 PolarHBondContact O-N 2.71Å; V236-Y302 PolarHBondContact N-OH 2.81Å; V236-K578 VanDerWaalsContact O-CD 3.3Å; V236-K578 WeakPolarHBondContact O-CD 3.49Å; V236-K578 VanDerWaalsContact O-CE 3.22Å; V236-K578 WeakPolarHBondContact O-CE 3.44Å; V236-K578 VanDerWaalsContact O-CG 3.31Å; V236-K578 WeakPolarHBondContact O-CG 3.4Å; V236-L581 HydrophobicContact CG1-CD2 3.3Å; V236-F641 HydrophobicContact CB-CE1 4.5Å; V236-F641 HydrophobicContact CG1-CE1 4.41Å; V236-F641 HydrophobicContact CG2-CD1 3.98Å; V236-F641 HydrophobicContact CG2-CE1 3.33Å; V236-F641 HydrophobicContact CG2-CZ 3.67Å
237	I	93.5	Very high	93.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-38.9	176.1	-68.4	168.5	0	0	0	111.2	T235 S239 L240 V241 F309 L581 V585	T235-I237 PolarHBondContact O-N 3.39Å; T235-I237 WeakPolarHBondContact OG1-CB 3.48Å; T235-I237 PolarHBondContact OG1-N 3.34Å; I237-S239 PolarHBondContact O-N 3.13Å; I237-L240 HydrophobicContact CG2-CB 3.93Å; I237-L240 WeakPolarHBondContact O-CB 3.49Å; I237-L240 PolarHBondContact O-N 3.16Å; I237-L240 VanDerWaalsContact O-N 3.16Å; I237-V241 HydrophobicContact CG2-CG1 4.07Å; I237-F309 HydrophobicContact CD1-CE2 4.31Å; I237-F309 HydrophobicContact CD1-CZ 3.84Å; I237-L581 HydrophobicContact CG1-CD2 4.33Å; I237-L581 HydrophobicContact CG1-CG 4.32Å; I237-V585 HydrophobicContact CD1-CB 4.08Å; I237-V585 HydrophobicContact CD1-CG1 4.26Å; I237-V585 HydrophobicContact CD1-CG2 4.09Å
238	N	91.4	Very high	93.2	Very high	83 Å²	83	40.1 Å²	40.1	44%	0.444	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	50.3	-122.9	178	-166.7	-17.6	0	0	0	112.2	E233 T235 V236 L240	E233-N238 WeakPolarHBondContact O-CA 3.28Å; T235-N238 PolarHBondContact O-N 3.42Å; T235-N238 VanDerWaalsContact O-N 3.09Å; V236-N238 VanDerWaalsContact C-N 3.29Å; V236-N238 PolarHBondContact O-N 2.71Å; N238-L240 PolarHBondContact O-N 3.04Å; N238-L240 VanDerWaalsContact O-N 3.13Å
239	S	87.7	Confident	93.1	Very high	78 Å²	78	45.4 Å²	45.4	55%	0.545	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-68.3	-10.9	-175	56.1	0	0	0	0	114.7	I237 V241 S242	I237-S239 PolarHBondContact O-N 3.13Å; S239-V241 PolarHBondContact O-N 3.01Å; S239-V241 VanDerWaalsContact O-N 3.14Å; S239-S242 PolarHBondContact O-OG 2.86Å
240	L	90.6	Very high	93.1	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.026	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-79.5	16.2	-179.3	-76.7	-59.4	0	0	0	113.2	I237 N238 S242 I243 Y575 K578 S582	I237-L240 HydrophobicContact CG2-CB 3.93Å; I237-L240 WeakPolarHBondContact O-CB 3.49Å; I237-L240 PolarHBondContact O-N 3.16Å; I237-L240 VanDerWaalsContact O-N 3.16Å; N238-L240 PolarHBondContact O-N 3.04Å; N238-L240 VanDerWaalsContact O-N 3.13Å; L240-S242 PolarHBondContact O-N 2.96Å; L240-I243 HydrophobicContact CB-CG2 4.44Å; L240-I243 HydrophobicContact CD1-CG2 4.02Å; L240-I243 WeakPolarHBondContact O-CG1 3.06Å; L240-I243 WeakPolarHBondContact O-CG2 3.41Å; L240-Y575 HydrophobicContact CD1-CD2 4.17Å; L240-Y575 HydrophobicContact CD1-CE1 4.08Å; L240-Y575 HydrophobicContact CD1-CE2 3.63Å; L240-Y575 HydrophobicContact CD2-CD2 4.14Å; L240-Y575 HydrophobicContact CD2-CE2 4.31Å; L240-K578 HydrophobicContact CB-CB 4.46Å; L240-K578 HydrophobicContact CD2-CB 3.98Å; L240-K578 HydrophobicContact CD2-CD 4.31Å; L240-K578 HydrophobicContact CG-CB 4.02Å; L240-S582 PolarHBondContact O-OG 2.76Å
241	V	91.8	Very high	93	Very high	30 Å²	30	48.4 Å²	48.4	18%	0.182	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-69.6	-19.2	169.9	-67.6	0	0	0	0	113.7	A232 E233 I237 S239 I243 H250	A232-V241 HydrophobicContact CB-CG1 3.48Å; A232-V241 VanDerWaalsContact CB-CG1 3.48Å; E233-V241 HydrophobicContact CB-CG1 4.45Å; E233-V241 HydrophobicContact CG-CB 4.36Å; E233-V241 HydrophobicContact CG-CG1 3.83Å; E233-V241 HydrophobicContact CG-CG2 3.72Å; I237-V241 HydrophobicContact CG2-CG1 4.07Å; S239-V241 PolarHBondContact O-N 3.01Å; S239-V241 VanDerWaalsContact O-N 3.14Å; V241-I243 VanDerWaalsContact C-N 3.25Å; V241-I243 PolarHBondContact O-N 2.82Å; V241-H250 PolarHBondContact O-CD2 2.72Å
242	S	89.8	Confident	92.9	Very high	105 Å²	105	51.8 Å²	51.8	73%	0.734	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-78.5	-3.7	-177.5	53.4	0	0	0	0	114.3	S239 L240	S239-S242 PolarHBondContact O-OG 2.86Å; L240-S242 PolarHBondContact O-N 2.96Å
243	I	90.2	Very high	92.9	Very high	16 Å²	16	56.1 Å²	56.1	8%	0.082	32%	0.317	C	S	.	.			trans	-66.9	156.8	-178.6	67.9	160	0	0	0	112	L240 V241 V245 Y579 S582 C583	L240-I243 HydrophobicContact CB-CG2 4.44Å; L240-I243 HydrophobicContact CD1-CG2 4.02Å; L240-I243 WeakPolarHBondContact O-CG1 3.06Å; L240-I243 WeakPolarHBondContact O-CG2 3.41Å; V241-I243 VanDerWaalsContact C-N 3.25Å; V241-I243 PolarHBondContact O-N 2.82Å; I243-V245 HydrophobicContact CD1-CG2 4.06Å; I243-Y579 HydrophobicContact CG2-CD2 3.86Å; I243-Y579 HydrophobicContact CG2-CE2 4.15Å; I243-S582 VanDerWaalsContact CD1-C 3.47Å; I243-S582 WeakPolarHBondContact CD1-OG 3.03Å; I243-S582 WeakPolarHBondContact CG1-OG 3.34Å; I243-C583 HydrophobicContact CD1-CB 4.26Å; I243-C583 VanDerWaalsContact CD1-N 3.33Å
244	N	90.3	Very high	93.1	Very high	85 Å²	85	52.3 Å²	52.3	46%	0.455	30%	0.299	S	S	.	.			trans	-136.2	120.6	171	-177.8	-9.5	0	0	0	108.3	G247 H248 K249	N244-G247 WeakPolarHBondContact OD1-CA 3.35Å; N244-G247 PolarHBondContact OD1-N 3.49Å; N244-H248 WeakPolarHBondContact CA-O 3.46Å; N244-K249 HydrophobicContact CB-CG 4.26Å; N244-K249 VanDerWaalsContact ND2-CE 3.31Å; N244-K249 WeakPolarHBondContact ND2-CE 3.08Å
245	V	90.9	Very high	93.2	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.006	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-119.1	108.4	177.1	-174.2	0	0	0	0	107.6	I243 G247 H248 M549 A553 C583 M587	I243-V245 HydrophobicContact CD1-CG2 4.06Å; V245-G247 PolarHBondContact O-N 2.78Å; V245-H248 PolarHBondContact N-O 2.92Å; V245-H248 VanDerWaalsContact N-O 3.16Å; V245-H248 VanDerWaalsContact O-CB 3.23Å; V245-H248 WeakPolarHBondContact O-CB 3.5Å; V245-H248 PolarHBondContact O-CD2 3.18Å; V245-H248 VanDerWaalsContact O-CD2 3.26Å; V245-H248 PolarHBondContact O-N 3.35Å; V245-M549 HydrophobicContact CG1-CB 4.31Å; V245-A553 HydrophobicContact CG1-CB 3.96Å; V245-C583 HydrophobicContact CG2-CB 3.84Å; V245-C583 WeakPolarHBondContact CG2-SG 3.29Å; V245-M587 HydrophobicContact CG1-SD 4.34Å
246	D	91.1	Very high	93.4	Very high	101 Å²	101	49.4 Å²	49.4	54%	0.54	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	42.7	-179.3	-160.6	34.2	0	0	0	113.8	H248 A553	D246-H248 VanDerWaalsContact C-N 3.29Å; D246-H248 PolarHBondContact O-N 2.81Å; D246-A553 HydrophobicContact CB-CB 3.82Å
247	G	92.1	Very high	93.5	Very high	58 Å²	58	49 Å²	49	60%	0.598	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	-8.5	-178.2	0	0	0	0	0	115	N244 V245 K249	N244-G247 WeakPolarHBondContact OD1-CA 3.35Å; N244-G247 PolarHBondContact OD1-N 3.49Å; V245-G247 PolarHBondContact O-N 2.78Å; G247-K249 PolarHBondContact O-N 2.7Å
248	H	94.4	Very high	93.5	Very high	60 Å²	60	49 Å²	49	28%	0.278	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-79.6	118.5	176	-62.5	-80.2	0	0	0	111.2	N244 V245 D246 K556 A586 M587	N244-H248 WeakPolarHBondContact CA-O 3.46Å; V245-H248 PolarHBondContact N-O 2.92Å; V245-H248 VanDerWaalsContact N-O 3.16Å; V245-H248 VanDerWaalsContact O-CB 3.23Å; V245-H248 WeakPolarHBondContact O-CB 3.5Å; V245-H248 PolarHBondContact O-CD2 3.18Å; V245-H248 VanDerWaalsContact O-CD2 3.26Å; V245-H248 PolarHBondContact O-N 3.35Å; D246-H248 VanDerWaalsContact C-N 3.29Å; D246-H248 PolarHBondContact O-N 2.81Å; H248-K556 PolarHBondContact CE1-NZ 2.8Å; H248-K556 PolarHBondContact NE2-NZ 3.49Å; H248-A586 HydrophobicContact CB-CB 4.5Å; H248-M587 HydrophobicContact CB-CG 4.08Å
249	K	95.9	Very high	93.5	Very high	114 Å²	114	50.8 Å²	50.8	50%	0.496	29%	0.286	S	S	.	.			trans	-119.9	160	176	-61.9	-178.6	-179.9	-179.4	0	110.4	N244 G247 D251	N244-K249 HydrophobicContact CB-CG 4.26Å; N244-K249 VanDerWaalsContact ND2-CE 3.31Å; N244-K249 WeakPolarHBondContact ND2-CE 3.08Å; G247-K249 PolarHBondContact O-N 2.7Å; K249-D251 PolarHBondContact O-N 3.42Å
250	H	97	Very high	93.7	Very high	24 Å²	24	50 Å²	50	11%	0.111	27%	0.274	C	S	.	.			trans	-72.2	125.1	167.7	-69.3	-77.9	0	0	0	109.9	A232 V241 P252 S582 A586	A232-H250 HydrophobicContact CB-CB 4.46Å; V241-H250 PolarHBondContact O-CD2 2.72Å; H250-P252 WeakPolarHBondContact O-CD 3.45Å; H250-S582 PolarHBondContact CE1-O 3.2Å; H250-S582 PolarHBondContact NE2-O 3.29Å; H250-S582 PolarHBondContact NE2-OG 2.76Å; H250-A586 PolarHBondContact CE1-N 3.43Å
251	D	95.4	Very high	93.8	Very high	45 Å²	45	54.9 Å²	54.9	24%	0.241	30%	0.295	C	S	.	.			trans	-78	118.5	173.8	-178.9	-10.6	0	0	0	108.9	K249 R253 R254 Y297	K249-D251 PolarHBondContact O-N 3.42Å; D251-R253 PolarHBondContact O-N 3.38Å; D251-R253 WeakPolarHBondContact OD1-CB 3.4Å; D251-R253 PolarHBondContact OD1-N 2.99Å; D251-R254 HydrophobicContact CB-CB 4.16Å; D251-R254 VanDerWaalsContact O-CB 3.31Å; D251-R254 WeakPolarHBondContact O-CB 3.48Å; D251-R254 PolarHBondContact O-N 2.88Å; D251-Y297 WeakPolarHBondContact OD2-CE1 3.38Å; D251-Y297 PolarHBondContact OD2-OH 2.64Å
252	P	95.4	Very high	93.8	Very high	105 Å²	105	55 Å²	55	68%	0.682	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-19.6	-179.7	-24	34.6	0	0	0	114.2	H250 R254	H250-P252 WeakPolarHBondContact O-CD 3.45Å; P252-R254 VanDerWaalsContact C-N 3.34Å
253	R	96.6	Very high	94	Very high	99 Å²	99	52 Å²	52	37%	0.374	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-9.8	175.5	-63.3	-173.1	-64.8	159.4	0.4	113.4	D251 I291 L296 Y297	D251-R253 PolarHBondContact O-N 3.38Å; D251-R253 WeakPolarHBondContact OD1-CB 3.4Å; D251-R253 PolarHBondContact OD1-N 2.99Å; R253-I291 PolarHBondContact NH1-O 2.99Å; R253-L296 HydrophobicContact CB-CD2 4.4Å; R253-L296 CarbonylContact O-C 3.48Å; R253-L296 VanDerWaalsContact O-CA 3.3Å; R253-L296 WeakPolarHBondContact O-CA 3.37Å; R253-Y297 HydrophobicContact CB-CD1 4.19Å; R253-Y297 HydrophobicContact CB-CE1 4.08Å; R253-Y297 PolarHBondContact O-N 3.23Å
254	R	97.5	Very high	94.2	Very high	7 Å²	7	51.7 Å²	51.7	3%	0.026	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-85.9	123	177.6	-172.7	-175.9	-173.9	-138.7	0.9	110.4	D251 P252 F256 Y297 D299 M300 V585	D251-R254 HydrophobicContact CB-CB 4.16Å; D251-R254 VanDerWaalsContact O-CB 3.31Å; D251-R254 WeakPolarHBondContact O-CB 3.48Å; D251-R254 PolarHBondContact O-N 2.88Å; P252-R254 VanDerWaalsContact C-N 3.34Å; R254-F256 HydrophobicContact CG-CZ 4.48Å; R254-F256 VanDerWaalsContact CZ-CE1 3.47Å; R254-Y297 CarbonylContact C-O 3.59Å; R254-Y297 WeakPolarHBondContact CA-O 3.3Å; R254-Y297 HydrophobicContact CB-CE1 4.13Å; R254-Y297 HydrophobicContact CB-CE2 4.02Å; R254-Y297 HydrophobicContact CG-CD2 4.49Å; R254-Y297 HydrophobicContact CG-CE2 3.88Å; R254-D299 IonicContact CZ-OD1 2.68Å; R254-D299 VanDerWaalsContact CZ-OD1 3.28Å; R254-D299 IonicContact CZ-OD2 2.73Å; R254-D299 IonicContact NE-OD1 2.83Å; R254-D299 PolarHBondContact NE-OD1 3.24Å; R254-D299 IonicContact NE-OD2 2.73Å; R254-D299 VanDerWaalsContact NH2-CG 3.31Å; R254-D299 IonicContact NH2-OD1 3.7Å; R254-D299 PolarHBondContact NH2-OD1 2.58Å; R254-D299 IonicContact NH2-OD2 3.9Å; R254-D299 PolarHBondContact NH2-OD2 3.5Å; R254-M300 PolarHBondContact NH2-SD 2.94Å; R254-M300 VanDerWaalsContact NH2-SD 3.38Å; R254-V585 PolarHBondContact NH1-O 3Å
255	V	97.9	Very high	94.4	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	166.1	174.9	-64.5	0	0	0	0	110.8	I208 F229 F230 R231 I275 L296 Y297 Y298	I208-V255 HydrophobicContact CD1-CG1 4.14Å; F229-V255 HydrophobicContact CB-CB 4.28Å; F229-V255 HydrophobicContact CB-CG2 4.3Å; F229-V255 HydrophobicContact CD1-CB 4.41Å; F229-V255 HydrophobicContact CD1-CG2 3.73Å; F229-V255 HydrophobicContact CE1-CG2 4.36Å; F229-V255 HydrophobicContact CG-CG2 4.26Å; F230-V255 CarbonylContact O-C 3.49Å; F230-V255 WeakPolarHBondContact O-CA 3.1Å; R231-V255 HydrophobicContact CG-CG1 4.24Å; V255-I275 HydrophobicContact CG2-CG2 4.15Å; V255-L296 HydrophobicContact CG1-CD1 4.18Å; V255-L296 HydrophobicContact CG2-CB 4.31Å; V255-Y297 PolarHBondContact N-O 3.39Å; V255-Y298 VanDerWaalsContact O-CA 3.32Å; V255-Y298 WeakPolarHBondContact O-CA 3.48Å; V255-Y298 WeakPolarHBondContact O-CB 3.5Å
256	F	97.8	Very high	94.5	Very high	1 Å²	1	49 Å²	49	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	127	-177.8	-53.2	-82.7	0	0	0	110.2	F229 F230 A232 T235 R254 S258 M300 F309 V585	F229-F256 CarbonylContact C-O 3.6Å; F229-F256 WeakPolarHBondContact CA-O 3.34Å; F230-F256 HydrophobicContact CB-CB 4.49Å; F230-F256 PolarHBondContact N-O 3.15Å; F230-F256 WeakPolarHBondContact O-CD2 3.46Å; F230-F256 PolarHBondContact O-N 2.87Å; A232-F256 HydrophobicContact CB-CE2 4.24Å; T235-F256 HydrophobicContact CG2-CD2 4.37Å; R254-F256 HydrophobicContact CG-CZ 4.48Å; R254-F256 VanDerWaalsContact CZ-CE1 3.47Å; F256-S258 PolarHBondContact O-N 2.81Å; F256-M300 WeakPolarHBondContact CA-O 3.34Å; F256-M300 HydrophobicContact CD1-CB 4Å; F256-M300 HydrophobicContact CE1-CB 4.35Å; F256-F309 AromaticContact CD1-CD1 3.66Å; F256-F309 HydrophobicContact CD1-CD1 3.66Å; F256-F309 AromaticContact CD1-CE1 3.98Å; F256-F309 HydrophobicContact CD1-CE1 3.98Å; F256-F309 HydrophobicContact CD2-CD1 4.41Å; F256-F309 AromaticContact CD2-CE1 3.89Å; F256-F309 HydrophobicContact CD2-CE1 3.89Å; F256-F309 AromaticContact CE1-CD1 3.57Å; F256-F309 HydrophobicContact CE1-CD1 3.57Å; F256-F309 AromaticContact CE1-CE1 3.85Å; F256-F309 HydrophobicContact CE1-CE1 3.85Å; F256-F309 HydrophobicContact CE2-CD1 4.35Å; F256-F309 AromaticContact CE2-CE1 3.78Å; F256-F309 HydrophobicContact CE2-CE1 3.78Å; F256-F309 HydrophobicContact CG-CD1 4.08Å; F256-F309 AromaticContact CG-CE1 3.99Å; F256-F309 HydrophobicContact CG-CE1 3.99Å; F256-F309 AromaticContact CZ-CD1 3.94Å; F256-F309 HydrophobicContact CZ-CD1 3.94Å; F256-F309 AromaticContact CZ-CE1 3.75Å; F256-F309 HydrophobicContact CZ-CE1 3.75Å; F256-V585 HydrophobicContact CE1-CG1 4.2Å; F256-V585 HydrophobicContact CZ-CG1 3.63Å
257	L	96.1	Very high	94.6	Very high	11 Å²	11	47.2 Å²	47.2	6%	0.058	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	122.3	-179.7	-179	64.1	0	0	0	110.2	R227 F229 Y298 M300 S301 Y302 I312	R227-L257 HydrophobicContact CG-CD1 4.18Å; R227-L257 VanDerWaalsContact NE-CD1 3.34Å; F229-L257 HydrophobicContact CD1-CB 4.07Å; F229-L257 HydrophobicContact CD1-CD1 4Å; F229-L257 HydrophobicContact CD2-CD1 4.44Å; F229-L257 HydrophobicContact CE1-CB 3.87Å; F229-L257 HydrophobicContact CE1-CD1 3.64Å; F229-L257 HydrophobicContact CE1-CG 4.28Å; F229-L257 HydrophobicContact CE2-CD1 4.11Å; F229-L257 HydrophobicContact CG-CD1 4.41Å; F229-L257 HydrophobicContact CZ-CD1 3.72Å; L257-Y298 HydrophobicContact CB-CD2 3.85Å; L257-Y298 HydrophobicContact CB-CE2 3.98Å; L257-Y298 HydrophobicContact CD2-CE2 3.9Å; L257-M300 PolarHBondContact N-O 2.76Å; L257-S301 CarbonylContact O-C 3.54Å; L257-S301 WeakPolarHBondContact O-CA 3.4Å; L257-S301 VanDerWaalsContact O-CB 3.23Å; L257-S301 WeakPolarHBondContact O-CB 3.37Å; L257-Y302 PolarHBondContact O-N 2.81Å; L257-I312 HydrophobicContact CB-CD1 4.21Å; L257-I312 HydrophobicContact CD2-CD1 4.4Å
258	S	94.6	Very high	94.7	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.007	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	158.5	179.4	-171.7	0	0	0	0	112.1	R227 W228 F230 F256 E260 Y302	R227-S258 WeakPolarHBondContact CD-O 3.44Å; R227-S258 WeakPolarHBondContact CG-O 3.41Å; R227-S258 PolarHBondContact NE-O 3.5Å; R227-S258 PolarHBondContact NH2-O 3.37Å; W228-S258 WeakPolarHBondContact O-CB 3.17Å; W228-S258 PolarHBondContact O-N 3.4Å; F230-S258 VanDerWaalsContact CD2-CB 3.44Å; F256-S258 PolarHBondContact O-N 2.81Å; S258-E260 VanDerWaalsContact C-N 3.29Å; S258-E260 WeakPolarHBondContact OG-CG 3.41Å; S258-E260 PolarHBondContact OG-N 3.16Å; S258-Y302 VanDerWaalsContact CA-O 3.25Å; S258-Y302 WeakPolarHBondContact CA-O 3.33Å; S258-Y302 WeakPolarHBondContact CB-O 3.36Å; S258-Y302 PolarHBondContact OG-O 3.38Å
259	E	91	Very high	94.7	Very high	121 Å²	121	41.8 Å²	41.8	57%	0.565	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82	-6.3	173.1	-66.6	-62.2	158.4	0	0	113.3	R227 K261	R227-E259 IonicContact CZ-OE1 3.42Å; R227-E259 IonicContact CZ-OE2 3.51Å; R227-E259 VanDerWaalsContact CZ-OE2 3.28Å; R227-E259 IonicContact NE-OE2 2.94Å; R227-E259 IonicContact NH1-OE1 2.82Å; R227-E259 PolarHBondContact NH1-OE1 3.24Å; R227-E259 IonicContact NH1-OE2 3.59Å; R227-E259 PolarHBondContact NH1-OE2 3.03Å; R227-E259 VanDerWaalsContact NH1-OE2 3.07Å; R227-E259 IonicContact NH2-OE1 2.83Å; R227-E259 PolarHBondContact NH2-OE1 3.43Å; R227-E259 IonicContact NH2-OE2 2.78Å; E259-K261 PolarHBondContact O-N 3.34Å
260	E	91.1	Very high	94.7	Very high	61 Å²	61	38.7 Å²	38.7	29%	0.285	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	130.1	177.2	-60.9	-55.1	130.1	0	0	111.3	R227 W228 F230 S258 V304	R227-E260 WeakPolarHBondContact CA-O 3.41Å; W228-E260 PolarHBondContact N-O 3.29Å; F230-E260 HydrophobicContact CE2-CB 4.39Å; F230-E260 HydrophobicContact CE2-CG 4.26Å; F230-E260 HydrophobicContact CZ-CG 4.26Å; S258-E260 VanDerWaalsContact C-N 3.29Å; S258-E260 WeakPolarHBondContact OG-CG 3.41Å; S258-E260 PolarHBondContact OG-N 3.16Å; E260-V304 HydrophobicContact CG-CG2 4.42Å
261	K	92.7	Very high	94.6	Very high	108 Å²	108	39.5 Å²	39.5	47%	0.47	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	143.9	-179.3	-69.6	175.5	-173.5	175.7	0	111.3	T225 C226 R227 E259	T225-K261 HydrophobicContact CG2-CB 4.08Å; T225-K261 HydrophobicContact CG2-CD 4.49Å; C226-K261 VanDerWaalsContact O-CA 3.26Å; C226-K261 WeakPolarHBondContact O-CA 3.39Å; R227-K261 HydrophobicContact CB-CG 4.18Å; E259-K261 PolarHBondContact O-N 3.34Å
262	N	92.6	Very high	94.7	Very high	32 Å²	32	41.7 Å²	41.7	17%	0.171	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	152.5	167.7	-64.6	110.2	0	0	0	111.5	G122 T225 C226 W228 N264	G122-N262 PolarHBondContact O-ND2 2.83Å; G122-N262 VanDerWaalsContact O-ND2 3.11Å; T225-N262 WeakPolarHBondContact CA-O 3.46Å; C226-N262 PolarHBondContact N-O 3.09Å; C226-N262 VanDerWaalsContact N-O 3.16Å; C226-N262 PolarHBondContact O-N 3.41Å; W228-N262 HydrophobicContact CZ2-CB 3.93Å; W228-N262 PolarHBondContact NE1-OD1 3.48Å; N262-N264 PolarHBondContact O-ND2 2.87Å; N262-N264 VanDerWaalsContact O-ND2 3.13Å
263	D	93.6	Very high	94.7	Very high	42 Å²	42	37.1 Å²	37.1	23%	0.225	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	135.3	174.8	-57.2	-20.9	0	0	0	110.3	R158 L174 F215 T225	R158-D263 IonicContact CZ-OD1 2.78Å; R158-D263 IonicContact CZ-OD2 2.88Å; R158-D263 IonicContact NH1-OD1 2.69Å; R158-D263 IonicContact NH1-OD2 3.51Å; R158-D263 PolarHBondContact NH1-OD2 3.28Å; R158-D263 IonicContact NH2-OD1 2.72Å; R158-D263 PolarHBondContact NH2-OD1 2.87Å; R158-D263 IonicContact NH2-OD2 3.01Å; R158-D263 PolarHBondContact NH2-OD2 2.9Å; L174-D263 HydrophobicContact CD1-CB 4.45Å; L174-D263 HydrophobicContact CD2-CB 4.45Å; F215-D263 HydrophobicContact CZ-CB 4.39Å; T225-D263 PolarHBondContact OG1-OD1 3.09Å
264	N	93.3	Very high	94.7	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.053	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	151.3	-175.8	-59.4	-73.9	0	0	0	110.5	V126 Y223 F224 N262	V126-N264 WeakPolarHBondContact CG2-OD1 3.49Å; Y223-N264 CarbonylContact C-O 3.57Å; Y223-N264 VanDerWaalsContact CA-O 3.22Å; Y223-N264 WeakPolarHBondContact CA-O 3.37Å; F224-N264 HydrophobicContact CD1-CB 3.99Å; F224-N264 VanDerWaalsContact CD1-O 3.26Å; F224-N264 WeakPolarHBondContact CD1-O 3.45Å; F224-N264 HydrophobicContact CE1-CB 3.42Å; F224-N264 VanDerWaalsContact CE1-CB 3.42Å; F224-N264 HydrophobicContact CE2-CB 4.28Å; F224-N264 HydrophobicContact CZ-CB 3.59Å; F224-N264 PolarHBondContact N-O 3.47Å; F224-N264 PolarHBondContact O-N 2.82Å; N262-N264 PolarHBondContact O-ND2 2.87Å; N262-N264 VanDerWaalsContact O-ND2 3.13Å
265	V	94.4	Very high	94.6	Very high	28 Å²	28	38.2 Å²	38.2	17%	0.17	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	143.8	173.2	-65.3	0	0	0	0	110.4	H222 Y223 F224 D267 C268	H222-V265 WeakPolarHBondContact O-CA 3.35Å; Y223-V265 HydrophobicContact CD1-CG1 4.06Å; Y223-V265 HydrophobicContact CE1-CG1 3.68Å; F224-V265 VanDerWaalsContact CE1-O 3.25Å; F224-V265 WeakPolarHBondContact CE1-O 3.43Å; V265-D267 HydrophobicContact CG2-CB 4.41Å; V265-D267 PolarHBondContact O-N 2.95Å; V265-C268 WeakPolarHBondContact CG2-SG 3.39Å; V265-C268 WeakPolarHBondContact O-CB 3.42Å; V265-C268 PolarHBondContact O-N 2.94Å; V265-C268 PolarHBondContact O-SG 3.46Å
266	L	94.3	Very high	94.5	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-50.7	-34.2	-176	-73	-176.4	0	0	0	114.6	P139 F141 A183 V185 F214 H222 F224 C268 I269	P139-L266 HydrophobicContact CB-CB 3.53Å; P139-L266 HydrophobicContact CB-CD1 3.75Å; P139-L266 HydrophobicContact CB-CG 4.31Å; P139-L266 HydrophobicContact CG-CB 4.12Å; F141-L266 HydrophobicContact CD1-CD1 4.25Å; F141-L266 HydrophobicContact CE1-CD1 3.9Å; F141-L266 HydrophobicContact CE1-CD2 4.2Å; F141-L266 HydrophobicContact CE1-CG 4.35Å; F141-L266 HydrophobicContact CZ-CD1 4.18Å; A183-L266 HydrophobicContact CB-CD1 3.88Å; A183-L266 HydrophobicContact CB-CD2 3.71Å; A183-L266 HydrophobicContact CB-CG 4.48Å; V185-L266 HydrophobicContact CG2-CB 4.08Å; F214-L266 HydrophobicContact CD1-CD2 3.64Å; F214-L266 HydrophobicContact CE1-CD2 3.42Å; F214-L266 VanDerWaalsContact CE1-CD2 3.42Å; H222-L266 HydrophobicContact CB-CB 4.45Å; H222-L266 HydrophobicContact CB-CD1 3.52Å; H222-L266 HydrophobicContact CB-CG 3.77Å; H222-L266 PolarHBondContact O-N 3.14Å; F224-L266 HydrophobicContact CB-CD2 4.1Å; F224-L266 HydrophobicContact CD1-CD2 4.14Å; L266-C268 PolarHBondContact O-N 3.34Å; L266-I269 HydrophobicContact CD2-CD1 4.27Å; L266-I269 PolarHBondContact O-N 3.12Å; L266-I269 VanDerWaalsContact O-N 3.09Å
267	D	92.4	Very high	94.4	Very high	63 Å²	63	42.4 Å²	42.4	34%	0.337	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-56.7	-17	177.9	-72.2	-42.5	0	0	0	114.4	P139 V265 I269	P139-D267 WeakPolarHBondContact CD-OD1 3.46Å; P139-D267 WeakPolarHBondContact CG-OD1 3.39Å; V265-D267 HydrophobicContact CG2-CB 4.41Å; V265-D267 PolarHBondContact O-N 2.95Å; D267-I269 VanDerWaalsContact C-N 3.34Å
268	C	93.9	Very high	94.3	Very high	3 Å²	3	42 Å²	42	2%	0.02	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-81.8	-13.8	-178.9	-59.1	0	0	0	0	112.9	V126 V198 K199 F224 V265 L266 I270	V126-C268 HydrophobicContact CG1-CB 3.55Å; V126-C268 WeakPolarHBondContact CG1-SG 3.29Å; V198-C268 CarbonylContact C-O 3.54Å; V198-C268 WeakPolarHBondContact CA-O 3.2Å; V198-C268 HydrophobicContact CG1-CB 3.92Å; K199-C268 PolarHBondContact N-O 2.95Å; F224-C268 HydrophobicContact CE1-CB 4.24Å; F224-C268 HydrophobicContact CZ-CB 4.44Å; V265-C268 WeakPolarHBondContact CG2-SG 3.39Å; V265-C268 WeakPolarHBondContact O-CB 3.42Å; V265-C268 PolarHBondContact O-N 2.94Å; V265-C268 PolarHBondContact O-SG 3.46Å; L266-C268 PolarHBondContact O-N 3.34Å; C268-I270 PolarHBondContact O-N 2.94Å
269	I	95.6	Very high	94.2	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	126.2	175.2	-59	177.9	0	0	0	109.1	V185 Y190 V196 I211 F214 F224 L266 D267	V185-I269 HydrophobicContact CG2-CB 4.36Å; V185-I269 HydrophobicContact CG2-CD1 4.26Å; Y190-I269 HydrophobicContact CD1-CG2 3.94Å; Y190-I269 HydrophobicContact CD2-CG2 4.17Å; Y190-I269 HydrophobicContact CE1-CG2 3.47Å; Y190-I269 VanDerWaalsContact CE1-CG2 3.47Å; Y190-I269 HydrophobicContact CE2-CG2 3.76Å; Y190-I269 HydrophobicContact CG-CG2 4.26Å; V196-I269 HydrophobicContact CB-CG2 4.28Å; V196-I269 HydrophobicContact CG1-CG2 4.17Å; I211-I269 HydrophobicContact CD1-CD1 4.34Å; F214-I269 HydrophobicContact CE1-CD1 4.13Å; F214-I269 HydrophobicContact CZ-CD1 4.39Å; F224-I269 HydrophobicContact CD1-CD1 3.96Å; F224-I269 HydrophobicContact CD1-CG1 3.96Å; F224-I269 HydrophobicContact CD2-CD1 4.24Å; F224-I269 HydrophobicContact CD2-CG1 4.34Å; F224-I269 HydrophobicContact CE1-CD1 4.03Å; F224-I269 HydrophobicContact CE1-CG1 3.48Å; F224-I269 VanDerWaalsContact CE1-CG1 3.48Å; F224-I269 HydrophobicContact CE2-CD1 4.32Å; F224-I269 HydrophobicContact CE2-CG1 3.92Å; F224-I269 HydrophobicContact CG-CD1 4.06Å; F224-I269 HydrophobicContact CG-CG1 4.35Å; F224-I269 HydrophobicContact CZ-CD1 4.22Å; F224-I269 HydrophobicContact CZ-CG1 3.47Å; F224-I269 VanDerWaalsContact CZ-CG1 3.47Å; L266-I269 HydrophobicContact CD2-CD1 4.27Å; L266-I269 PolarHBondContact O-N 3.12Å; L266-I269 VanDerWaalsContact O-N 3.09Å; D267-I269 VanDerWaalsContact C-N 3.34Å
270	I	94.6	Very high	94	Very high	49 Å²	49	39.6 Å²	39.6	25%	0.251	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-57.7	179.9	-57.1	176.9	0	0	0	111	Y197 K199 D206 C268	Y197-I270 WeakPolarHBondContact O-CB 3.48Å; Y197-I270 PolarHBondContact O-N 2.74Å; K199-I270 HydrophobicContact CB-CD1 4.13Å; K199-I270 HydrophobicContact CB-CG1 4.17Å; K199-I270 HydrophobicContact CD-CD1 3.94Å; K199-I270 HydrophobicContact CD-CG1 4.49Å; D206-I270 HydrophobicContact CB-CD1 3.84Å; D206-I270 WeakPolarHBondContact OD1-CD1 3.48Å; D206-I270 VanDerWaalsContact OD2-CD1 3.24Å; D206-I270 WeakPolarHBondContact OD2-CD1 3.44Å; C268-I270 PolarHBondContact O-N 2.94Å
271	S	95.9	Very high	93.8	Very high	40 Å²	40	41.5 Å²	41.5	28%	0.28	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	162.4	-173.3	59.4	0	0	0	0	111.1	Y190 V196 Y197	Y190-S271 WeakPolarHBondContact OH-CA 3.48Å; V196-S271 CarbonylContact C-O 3.5Å; V196-S271 VanDerWaalsContact CA-O 3.25Å; V196-S271 WeakPolarHBondContact CA-O 3.32Å; V196-S271 WeakPolarHBondContact CB-O 3.4Å; Y197-S271 PolarHBondContact N-O 3.26Å
272	K	96.3	Very high	93.6	Very high	92 Å²	92	38.8 Å²	38.8	40%	0.4	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	148.4	168.3	-66.4	-168.4	174.5	-157.1	0	110.5	V189 Y190 D194 D195	V189-K272 WeakPolarHBondContact O-CE 3.38Å; V189-K272 PolarHBondContact O-NZ 2.97Å; Y190-K272 HydrophobicContact CD1-CG 3.78Å; Y190-K272 HydrophobicContact CE1-CG 3.53Å; D194-K272 IonicContact OD1-NZ 2.78Å; D194-K272 PolarHBondContact OD1-NZ 3.32Å; D194-K272 WeakPolarHBondContact OD2-CE 3.34Å; D194-K272 IonicContact OD2-NZ 2.89Å; D194-K272 PolarHBondContact OD2-NZ 2.92Å; D195-K272 WeakPolarHBondContact O-CA 3.39Å
273	V	96.6	Very high	93.5	Very high	8 Å²	8	42 Å²	42	5%	0.048	22%	0.217	C	C	.	.			trans	-131.4	136.5	172.6	54.9	0	0	0	0	109.2	D195 Y197 I208 I275 D295 L296	D195-V273 HydrophobicContact CB-CG1 4Å; D195-V273 WeakPolarHBondContact CB-O 3.41Å; D195-V273 PolarHBondContact O-N 3.39Å; Y197-V273 HydrophobicContact CD2-CB 3.96Å; Y197-V273 HydrophobicContact CD2-CG1 4.37Å; Y197-V273 HydrophobicContact CE2-CB 3.7Å; Y197-V273 HydrophobicContact CE2-CG1 4.37Å; Y197-V273 HydrophobicContact CE2-CG2 3.79Å; I208-V273 HydrophobicContact CG2-CG1 4.4Å; V273-I275 HydrophobicContact CG1-CD1 3.9Å; V273-I275 HydrophobicContact CG1-CG1 3.92Å; V273-I275 HydrophobicContact CG2-CG1 4.06Å; V273-I275 PolarHBondContact O-N 2.9Å; V273-D295 HydrophobicContact CG2-CB 3.79Å; V273-L296 HydrophobicContact CG2-CD1 3.91Å; V273-L296 HydrophobicContact CG2-CG 4.15Å
274	K	96	Very high	93.4	Very high	116 Å²	116	44.7 Å²	44.7	50%	0.504	24%	0.237	S	C	.	.			trans	-87.4	99.3	179.5	-173.2	-179.3	177	-170.8	0	110	H293 D295 L296	K274-H293 WeakPolarHBondContact CD-O 3.39Å; K274-H293 VanDerWaalsContact CE-O 3.26Å; K274-H293 WeakPolarHBondContact CE-O 3.39Å; K274-H293 PolarHBondContact NZ-O 2.9Å; K274-D295 VanDerWaalsContact CB-OD2 3.29Å; K274-D295 WeakPolarHBondContact CB-OD2 3.42Å; K274-D295 PolarHBondContact N-OD2 3.32Å; K274-D295 PolarHBondContact O-N 3.04Å; K274-L296 PolarHBondContact O-N 2.91Å
275	I	96.9	Very high	93.4	Very high	14 Å²	14	51.2 Å²	51.2	7%	0.072	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.7	177.4	-45.8	-174	0	0	0	110	D195 I208 F229 V255 V273 L296 Y298	D195-I275 HydrophobicContact CB-CB 4.3Å; D195-I275 HydrophobicContact CB-CD1 3.78Å; D195-I275 HydrophobicContact CB-CG1 3.79Å; D195-I275 WeakPolarHBondContact OD2-CB 3.05Å; I208-I275 HydrophobicContact CG2-CD1 3.4Å; F229-I275 HydrophobicContact CD2-CD1 3.81Å; F229-I275 HydrophobicContact CE1-CD1 4.43Å; F229-I275 HydrophobicContact CE1-CG2 4Å; F229-I275 HydrophobicContact CE2-CD1 3.66Å; F229-I275 HydrophobicContact CG-CD1 4.25Å; F229-I275 HydrophobicContact CZ-CB 4.48Å; F229-I275 HydrophobicContact CZ-CD1 3.97Å; F229-I275 HydrophobicContact CZ-CG2 4.04Å; V255-I275 HydrophobicContact CG2-CG2 4.15Å; V273-I275 HydrophobicContact CG1-CD1 3.9Å; V273-I275 HydrophobicContact CG1-CG1 3.92Å; V273-I275 HydrophobicContact CG2-CG1 4.06Å; V273-I275 PolarHBondContact O-N 2.9Å; I275-L296 VanDerWaalsContact CA-O 3.31Å; I275-L296 WeakPolarHBondContact CA-O 3.27Å; I275-L296 HydrophobicContact CD1-CD1 4.25Å; I275-L296 HydrophobicContact CG1-CB 4.19Å; I275-L296 HydrophobicContact CG1-CD1 4.38Å; I275-L296 HydrophobicContact CG2-CB 4.32Å; I275-Y298 HydrophobicContact CG2-CD1 3.68Å; I275-Y298 HydrophobicContact CG2-CE1 4.13Å
276	V	95.5	Very high	93.3	Very high	25 Å²	25	51.6 Å²	51.6	15%	0.152	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	138.6	179.7	-60.2	0	0	0	0	111.9	V278 C294 L296 Y297 Y298	V276-V278 HydrophobicContact CG2-CG2 4.12Å; V276-C294 HydrophobicContact CB-CB 4.19Å; V276-C294 HydrophobicContact CG1-CB 3.74Å; V276-C294 HydrophobicContact CG2-CB 3.44Å; V276-C294 VanDerWaalsContact CG2-CB 3.44Å; V276-L296 PolarHBondContact N-O 3.34Å; V276-L296 VanDerWaalsContact N-O 3.1Å; V276-Y297 VanDerWaalsContact O-CA 3.25Å; V276-Y297 WeakPolarHBondContact O-CA 3.43Å; V276-Y298 VanDerWaalsContact O-CD1 3.32Å; V276-Y298 WeakPolarHBondContact O-CD1 3.33Å; V276-Y298 PolarHBondContact O-N 3.41Å
277	H	95.1	Very high	93.1	Very high	63 Å²	63	54.3 Å²	54.3	29%	0.292	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	129	167.8	-178.3	-122	0	0	0	109.4	Y298	H277-Y298 CarbonylContact C-O 3.52Å; H277-Y298 WeakPolarHBondContact CA-O 3.45Å; H277-Y298 HydrophobicContact CB-CD1 4.45Å; H277-Y298 HydrophobicContact CB-CE1 3.75Å; H277-Y298 HydrophobicContact CB-CE2 4.17Å; H277-Y298 AromaticContact CD2-CD2 3.87Å; H277-Y298 AromaticContact CD2-CE2 3.52Å; H277-Y298 AromaticContact CD2-CZ 3.89Å; H277-Y298 PolarHBondContact CD2-O 2.84Å
278	V	93.9	Very high	93.1	Very high	3 Å²	3	54 Å²	54	2%	0.018	29%	0.289	C	S	.	.			trans	-116.2	106.2	178.3	174.6	0	0	0	0	107.8	V276 P280 M282 K287 L290 I291 Y297 Y298 D299	V276-V278 HydrophobicContact CG2-CG2 4.12Å; V278-P280 WeakPolarHBondContact O-CD 3.15Å; V278-M282 HydrophobicContact CG1-SD 3.89Å; V278-K287 HydrophobicContact CG1-CB 4.49Å; V278-K287 HydrophobicContact CG1-CD 4Å; V278-K287 HydrophobicContact CG1-CG 3.59Å; V278-L290 HydrophobicContact CG2-CB 4.47Å; V278-I291 HydrophobicContact CG2-CG1 4.08Å; V278-Y297 HydrophobicContact CB-CD2 4.33Å; V278-Y297 HydrophobicContact CG2-CD2 4.02Å; V278-Y297 HydrophobicContact CG2-CG 4.24Å; V278-Y298 PolarHBondContact N-O 3.17Å; V278-D299 WeakPolarHBondContact O-CA 3.37Å; V278-D299 VanDerWaalsContact O-CB 3.26Å; V278-D299 WeakPolarHBondContact O-CB 3.39Å
279	D	92	Very high	93.1	Very high	55 Å²	55	58.7 Å²	58.7	29%	0.294	31%	0.311	S	S	.	.			trans	-63.1	120.8	174.7	-175.4	-24.7	0	0	0	109.1	N281 M282	D279-N281 PolarHBondContact O-N 3.16Å; D279-N281 VanDerWaalsContact O-N 3.11Å; D279-N281 WeakPolarHBondContact OD1-CB 3.31Å; D279-N281 PolarHBondContact OD1-N 3.46Å; D279-M282 HydrophobicContact CB-CB 4.28Å; D279-M282 HydrophobicContact CB-CE 4.46Å; D279-M282 WeakPolarHBondContact O-CG 3.33Å; D279-M282 PolarHBondContact O-N 2.76Å; D279-M282 VanDerWaalsContact O-N 3.14Å
280	P	88.2	Confident	92.9	Very high	17 Å²	17	61.5 Å²	61.5	11%	0.11	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-27.2	178.9	-21.3	28.6	0	0	0	114	V278 K287 D299 S617	V278-P280 WeakPolarHBondContact O-CD 3.15Å; P280-K287 PolarHBondContact O-NZ 2.88Å; P280-D299 HydrophobicContact CG-CB 4.18Å; P280-S617 WeakPolarHBondContact CB-OG 3.28Å
281	N	85.9	Confident	92.8	Very high	100 Å²	100	60.4 Å²	60.4	54%	0.535	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	1.1	-175.5	-58.6	-49.3	0	0	0	113.4	D279	D279-N281 PolarHBondContact O-N 3.16Å; D279-N281 VanDerWaalsContact O-N 3.11Å; D279-N281 WeakPolarHBondContact OD1-CB 3.31Å; D279-N281 PolarHBondContact OD1-N 3.46Å
282	M	89.6	Confident	92.6	Very high	52 Å²	52	65.2 Å²	65.2	26%	0.256	34%	0.338	S	S	.	.	S	Bend	trans	-73.2	158.9	175.8	82.7	-164.6	-26.7	0	0	112.4	V278 D279 K287 L290	V278-M282 HydrophobicContact CG1-SD 3.89Å; D279-M282 HydrophobicContact CB-CB 4.28Å; D279-M282 HydrophobicContact CB-CE 4.46Å; D279-M282 WeakPolarHBondContact O-CG 3.33Å; D279-M282 PolarHBondContact O-N 2.76Å; D279-M282 VanDerWaalsContact O-N 3.14Å; M282-K287 HydrophobicContact CG-CB 3.84Å; M282-K287 HydrophobicContact SD-CB 4.05Å; M282-L290 HydrophobicContact CE-CD1 3.34Å; M282-L290 HydrophobicContact SD-CD1 3.66Å
283	D	90.3	Very high	92.3	Very high	98 Å²	98	66.5 Å²	66.5	52%	0.524	35%	0.345	S	S	.	.			trans	-51.5	133.5	177	174.2	78.4	0	0	0	111.8	K285 A286 K287	D283-K285 VanDerWaalsContact C-N 3.27Å; D283-K285 PolarHBondContact O-N 3.42Å; D283-K285 WeakPolarHBondContact OD2-CA 3.41Å; D283-K285 VanDerWaalsContact OD2-CB 3.23Å; D283-K285 WeakPolarHBondContact OD2-CB 3.37Å; D283-K285 PolarHBondContact OD2-N 3.32Å; D283-A286 HydrophobicContact CB-CB 4.22Å; D283-A286 PolarHBondContact O-N 3.36Å; D283-A286 PolarHBondContact OD2-N 3.08Å; D283-A286 VanDerWaalsContact OD2-N 3.16Å; D283-K287 WeakPolarHBondContact O-CB 3.43Å; D283-K287 PolarHBondContact O-N 3.21Å
284	P	91	Very high	92.2	Very high	99 Å²	99	66.6 Å²	66.6	64%	0.643	35%	0.346	S	S	*	.	H	α-helix	trans	-57.6	-33.9	-176.3	-27.5	35	0	0	0	114.7	K287 A288	P284-K287 WeakPolarHBondContact O-CB 3.13Å; P284-A288 PolarHBondContact O-N 3.43Å
285	K	92.2	Very high	92.2	Very high	148 Å²	148	65.5 Å²	65.5	64%	0.643	35%	0.346	S	S	*	.	H	α-helix	trans	-73.4	-42.4	179.8	-172.2	-177.9	178.9	-179.7	0	110.7	D283 K287 A288 Q289	D283-K285 VanDerWaalsContact C-N 3.27Å; D283-K285 PolarHBondContact O-N 3.42Å; D283-K285 WeakPolarHBondContact OD2-CA 3.41Å; D283-K285 VanDerWaalsContact OD2-CB 3.23Å; D283-K285 WeakPolarHBondContact OD2-CB 3.37Å; D283-K285 PolarHBondContact OD2-N 3.32Å; K285-K287 VanDerWaalsContact C-N 3.31Å; K285-K287 PolarHBondContact O-N 3.17Å; K285-A288 PolarHBondContact O-N 3.09Å; K285-Q289 WeakPolarHBondContact O-CG 3.49Å; K285-Q289 PolarHBondContact O-N 3.31Å; K285-Q289 VanDerWaalsContact O-N 3.11Å
286	A	92.5	Very high	92.3	Very high	36 Å²	36	65.5 Å²	65.5	30%	0.298	35%	0.346	S	S	.	.	H	α-helix	trans	-61.3	-41.4	173.7	0	0	0	0	0	111.6	D283 A288 Q289 L290	D283-A286 HydrophobicContact CB-CB 4.22Å; D283-A286 PolarHBondContact O-N 3.36Å; D283-A286 PolarHBondContact OD2-N 3.08Å; D283-A286 VanDerWaalsContact OD2-N 3.16Å; A286-A288 PolarHBondContact O-N 3.27Å; A286-Q289 PolarHBondContact O-N 2.88Å; A286-L290 PolarHBondContact O-N 3.32Å
287	K	91.9	Very high	92.3	Very high	58 Å²	58	64.9 Å²	64.9	25%	0.252	34%	0.341	S	S	.	.	H	α-helix	trans	-56.9	-48.1	174	179.9	173.8	-60.1	172.9	0	112.2	V278 P280 M282 D283 P284 K285 Q289 L290 I291	V278-K287 HydrophobicContact CG1-CB 4.49Å; V278-K287 HydrophobicContact CG1-CD 4Å; V278-K287 HydrophobicContact CG1-CG 3.59Å; P280-K287 PolarHBondContact O-NZ 2.88Å; M282-K287 HydrophobicContact CG-CB 3.84Å; M282-K287 HydrophobicContact SD-CB 4.05Å; D283-K287 WeakPolarHBondContact O-CB 3.43Å; D283-K287 PolarHBondContact O-N 3.21Å; P284-K287 WeakPolarHBondContact O-CB 3.13Å; K285-K287 VanDerWaalsContact C-N 3.31Å; K285-K287 PolarHBondContact O-N 3.17Å; K287-Q289 PolarHBondContact O-N 3.23Å; K287-L290 PolarHBondContact O-N 3.31Å; K287-I291 HydrophobicContact CG-CD1 3.92Å; K287-I291 VanDerWaalsContact O-CG1 3.31Å; K287-I291 WeakPolarHBondContact O-CG1 3.45Å; K287-I291 PolarHBondContact O-N 3.42Å; K287-I291 VanDerWaalsContact O-N 3.07Å
288	A	92.3	Very high	92.4	Very high	58 Å²	58	62.8 Å²	62.8	48%	0.479	33%	0.33	S	S	.	.	H	α-helix	trans	-61.5	-42.3	178.3	0	0	0	0	0	112.3	P284 K285 A286 I291 E292	P284-A288 PolarHBondContact O-N 3.43Å; K285-A288 PolarHBondContact O-N 3.09Å; A286-A288 PolarHBondContact O-N 3.27Å; A288-I291 PolarHBondContact O-N 3.41Å; A288-E292 WeakPolarHBondContact O-CB 3.38Å; A288-E292 PolarHBondContact O-N 3.15Å
289	Q	92.6	Very high	92.5	Very high	101 Å²	101	63.1 Å²	63.1	47%	0.472	33%	0.332	S	S	.	.	H	α-helix	trans	-64.5	-40.3	177.3	-70.7	176.8	-15.5	0	0	112.7	K285 A286 K287 E292 H293	K285-Q289 WeakPolarHBondContact O-CG 3.49Å; K285-Q289 PolarHBondContact O-N 3.31Å; K285-Q289 VanDerWaalsContact O-N 3.11Å; A286-Q289 PolarHBondContact O-N 2.88Å; K287-Q289 PolarHBondContact O-N 3.23Å; Q289-E292 PolarHBondContact O-N 3.09Å; Q289-H293 PolarHBondContact O-CD2 3.05Å; Q289-H293 PolarHBondContact O-N 3.2Å
290	L	91.5	Very high	92.8	Very high	60 Å²	60	60.5 Å²	60.5	31%	0.314	32%	0.318	S	S	.	.	H	α-helix	trans	-60.9	-45.2	174.5	-90.3	149.5	0	0	0	111.7	V278 M282 A286 K287 E292 H293	V278-L290 HydrophobicContact CG2-CB 4.47Å; M282-L290 HydrophobicContact CE-CD1 3.34Å; M282-L290 HydrophobicContact SD-CD1 3.66Å; A286-L290 PolarHBondContact O-N 3.32Å; K287-L290 PolarHBondContact O-N 3.31Å; L290-E292 VanDerWaalsContact C-N 3.3Å; L290-E292 PolarHBondContact O-N 3.39Å; L290-H293 PolarHBondContact O-N 3.36Å
291	I	93	Very high	93.1	Very high	26 Å²	26	61.1 Å²	61.1	13%	0.133	32%	0.323	C	S	.	.	H	α-helix	trans	-68.9	-28.3	179.4	-66.4	170.3	0	0	0	112	R253 V278 K287 A288 C294 Y297	R253-I291 PolarHBondContact NH1-O 2.99Å; V278-I291 HydrophobicContact CG2-CG1 4.08Å; K287-I291 HydrophobicContact CG-CD1 3.92Å; K287-I291 VanDerWaalsContact O-CG1 3.31Å; K287-I291 WeakPolarHBondContact O-CG1 3.45Å; K287-I291 PolarHBondContact O-N 3.42Å; K287-I291 VanDerWaalsContact O-N 3.07Å; A288-I291 PolarHBondContact O-N 3.41Å; I291-C294 PolarHBondContact O-SG 2.99Å; I291-C294 VanDerWaalsContact O-SG 3.36Å; I291-Y297 HydrophobicContact CD1-CD2 4.31Å; I291-Y297 HydrophobicContact CD1-CE1 4.31Å; I291-Y297 HydrophobicContact CD1-CE2 4.1Å; I291-Y297 HydrophobicContact CG1-CD1 4.05Å; I291-Y297 HydrophobicContact CG1-CD2 4.25Å; I291-Y297 HydrophobicContact CG1-CE1 4.29Å; I291-Y297 HydrophobicContact CG1-CE2 4.49Å; I291-Y297 HydrophobicContact CG1-CG 4.01Å; I291-Y297 HydrophobicContact CG2-CD1 4.02Å; I291-Y297 HydrophobicContact CG2-CE1 3.97Å
292	E	92.3	Very high	93.7	Very high	140 Å²	140	56.9 Å²	56.9	65%	0.654	30%	0.3	S	S	*	.	H	α-helix	trans	-69.9	-31.9	176.2	-171.6	177.9	179.6	0	0	112.4	A288 Q289 L290	A288-E292 WeakPolarHBondContact O-CB 3.38Å; A288-E292 PolarHBondContact O-N 3.15Å; Q289-E292 PolarHBondContact O-N 3.09Å; L290-E292 VanDerWaalsContact C-N 3.3Å; L290-E292 PolarHBondContact O-N 3.39Å
293	H	90.2	Very high	93.9	Very high	120 Å²	120	56.7 Å²	56.7	56%	0.556	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	10.8	-173.2	-63.6	-42.7	0	0	0	114.9	K274 Q289 L290	K274-H293 WeakPolarHBondContact CD-O 3.39Å; K274-H293 VanDerWaalsContact CE-O 3.26Å; K274-H293 WeakPolarHBondContact CE-O 3.39Å; K274-H293 PolarHBondContact NZ-O 2.9Å; Q289-H293 PolarHBondContact O-CD2 3.05Å; Q289-H293 PolarHBondContact O-N 3.2Å; L290-H293 PolarHBondContact O-N 3.36Å
294	C	93.6	Very high	94.1	Very high	10 Å²	10	53.5 Å²	53.5	7%	0.068	29%	0.287	C	S	.	.			trans	-118.8	157.7	178.3	67.8	0	0	0	0	111.9	V276 I291 L296	V276-C294 HydrophobicContact CB-CB 4.19Å; V276-C294 HydrophobicContact CG1-CB 3.74Å; V276-C294 HydrophobicContact CG2-CB 3.44Å; V276-C294 VanDerWaalsContact CG2-CB 3.44Å; I291-C294 PolarHBondContact O-SG 2.99Å; I291-C294 VanDerWaalsContact O-SG 3.36Å; C294-L296 WeakPolarHBondContact CB-O 3.44Å; C294-L296 PolarHBondContact SG-O 2.93Å; C294-L296 VanDerWaalsContact SG-O 3.34Å
295	D	96.2	Very high	94.2	Very high	93 Å²	93	50.1 Å²	50.1	50%	0.497	27%	0.268	S	S	.	.	S	Bend	trans	-76.3	-44.8	169.3	-58.1	-50.8	0	0	0	109.7	V273 K274	V273-D295 HydrophobicContact CG2-CB 3.79Å; K274-D295 VanDerWaalsContact CB-OD2 3.29Å; K274-D295 WeakPolarHBondContact CB-OD2 3.42Å; K274-D295 PolarHBondContact N-OD2 3.32Å; K274-D295 PolarHBondContact O-N 3.04Å
296	L	97.7	Very high	94.4	Very high	14 Å²	14	44 Å²	44	7%	0.073	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	158.9	178.8	-55.3	173.3	0	0	0	110.2	I208 R253 V255 V273 K274 I275 V276 C294	I208-L296 HydrophobicContact CD1-CD1 3.67Å; I208-L296 HydrophobicContact CG1-CD1 4.36Å; I208-L296 HydrophobicContact CG2-CD1 4.27Å; R253-L296 HydrophobicContact CB-CD2 4.4Å; R253-L296 CarbonylContact O-C 3.48Å; R253-L296 VanDerWaalsContact O-CA 3.3Å; R253-L296 WeakPolarHBondContact O-CA 3.37Å; V255-L296 HydrophobicContact CG1-CD1 4.18Å; V255-L296 HydrophobicContact CG2-CB 4.31Å; V273-L296 HydrophobicContact CG2-CD1 3.91Å; V273-L296 HydrophobicContact CG2-CG 4.15Å; K274-L296 PolarHBondContact O-N 2.91Å; I275-L296 VanDerWaalsContact CA-O 3.31Å; I275-L296 WeakPolarHBondContact CA-O 3.27Å; I275-L296 HydrophobicContact CD1-CD1 4.25Å; I275-L296 HydrophobicContact CG1-CB 4.19Å; I275-L296 HydrophobicContact CG1-CD1 4.38Å; I275-L296 HydrophobicContact CG2-CB 4.32Å; V276-L296 PolarHBondContact N-O 3.34Å; V276-L296 VanDerWaalsContact N-O 3.1Å; C294-L296 WeakPolarHBondContact CB-O 3.44Å; C294-L296 PolarHBondContact SG-O 2.93Å; C294-L296 VanDerWaalsContact SG-O 3.34Å
297	Y	97.3	Very high	94.6	Very high	12 Å²	12	42.5 Å²	42.5	5%	0.047	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	157.8	173.6	71.3	-83.6	0	0	0	111.8	D251 R253 R254 V255 V276 V278 I291 K588	D251-Y297 WeakPolarHBondContact OD2-CE1 3.38Å; D251-Y297 PolarHBondContact OD2-OH 2.64Å; R253-Y297 HydrophobicContact CB-CD1 4.19Å; R253-Y297 HydrophobicContact CB-CE1 4.08Å; R253-Y297 PolarHBondContact O-N 3.23Å; R254-Y297 CarbonylContact C-O 3.59Å; R254-Y297 WeakPolarHBondContact CA-O 3.3Å; R254-Y297 HydrophobicContact CB-CE1 4.13Å; R254-Y297 HydrophobicContact CB-CE2 4.02Å; R254-Y297 HydrophobicContact CG-CD2 4.49Å; R254-Y297 HydrophobicContact CG-CE2 3.88Å; V255-Y297 PolarHBondContact N-O 3.39Å; V276-Y297 VanDerWaalsContact O-CA 3.25Å; V276-Y297 WeakPolarHBondContact O-CA 3.43Å; V278-Y297 HydrophobicContact CB-CD2 4.33Å; V278-Y297 HydrophobicContact CG2-CD2 4.02Å; V278-Y297 HydrophobicContact CG2-CG 4.24Å; I291-Y297 HydrophobicContact CD1-CD2 4.31Å; I291-Y297 HydrophobicContact CD1-CE1 4.31Å; I291-Y297 HydrophobicContact CD1-CE2 4.1Å; I291-Y297 HydrophobicContact CG1-CD1 4.05Å; I291-Y297 HydrophobicContact CG1-CD2 4.25Å; I291-Y297 HydrophobicContact CG1-CE1 4.29Å; I291-Y297 HydrophobicContact CG1-CE2 4.49Å; I291-Y297 HydrophobicContact CG1-CG 4.01Å; I291-Y297 HydrophobicContact CG2-CD1 4.02Å; I291-Y297 HydrophobicContact CG2-CE1 3.97Å; Y297-K588 PolarHBondContact OH-NZ 3.49Å
298	Y	97.3	Very high	94.9	Very high	18 Å²	18	40.2 Å²	40.2	7%	0.071	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	140.1	173.7	70.6	-72.1	0	0	0	110.4	R210 F229 V255 L257 I275 V276 H277 V278 I312	R210-Y298 PolarHBondContact NH1-OH 3.36Å; F229-Y298 AromaticContact CE1-CD1 3.83Å; F229-Y298 HydrophobicContact CE1-CD1 3.83Å; F229-Y298 HydrophobicContact CE1-CD2 4.42Å; F229-Y298 HydrophobicContact CE1-CE1 4.08Å; F229-Y298 HydrophobicContact CE1-CG 4Å; F229-Y298 HydrophobicContact CZ-CE1 4.38Å; V255-Y298 VanDerWaalsContact O-CA 3.32Å; V255-Y298 WeakPolarHBondContact O-CA 3.48Å; V255-Y298 WeakPolarHBondContact O-CB 3.5Å; L257-Y298 HydrophobicContact CB-CD2 3.85Å; L257-Y298 HydrophobicContact CB-CE2 3.98Å; L257-Y298 HydrophobicContact CD2-CE2 3.9Å; I275-Y298 HydrophobicContact CG2-CD1 3.68Å; I275-Y298 HydrophobicContact CG2-CE1 4.13Å; V276-Y298 VanDerWaalsContact O-CD1 3.32Å; V276-Y298 WeakPolarHBondContact O-CD1 3.33Å; V276-Y298 PolarHBondContact O-N 3.41Å; H277-Y298 CarbonylContact C-O 3.52Å; H277-Y298 WeakPolarHBondContact CA-O 3.45Å; H277-Y298 HydrophobicContact CB-CD1 4.45Å; H277-Y298 HydrophobicContact CB-CE1 3.75Å; H277-Y298 HydrophobicContact CB-CE2 4.17Å; H277-Y298 AromaticContact CD2-CD2 3.87Å; H277-Y298 AromaticContact CD2-CE2 3.52Å; H277-Y298 AromaticContact CD2-CZ 3.89Å; H277-Y298 PolarHBondContact CD2-O 2.84Å; V278-Y298 PolarHBondContact N-O 3.17Å; Y298-I312 HydrophobicContact CD2-CD1 3.36Å; Y298-I312 HydrophobicContact CE2-CD1 3.28Å
299	D	95.6	Very high	95.2	Very high	11 Å²	11	37.4 Å²	37.4	6%	0.059	20%	0.196	C	C	.	.	S	Bend	trans	-121	-13.8	178.1	63.2	-43.1	0	0	0	111.9	R254 V278 P280	R254-D299 IonicContact CZ-OD1 2.68Å; R254-D299 VanDerWaalsContact CZ-OD1 3.28Å; R254-D299 IonicContact CZ-OD2 2.73Å; R254-D299 IonicContact NE-OD1 2.83Å; R254-D299 PolarHBondContact NE-OD1 3.24Å; R254-D299 IonicContact NE-OD2 2.73Å; R254-D299 VanDerWaalsContact NH2-CG 3.31Å; R254-D299 IonicContact NH2-OD1 3.7Å; R254-D299 PolarHBondContact NH2-OD1 2.58Å; R254-D299 IonicContact NH2-OD2 3.9Å; R254-D299 PolarHBondContact NH2-OD2 3.5Å; V278-D299 WeakPolarHBondContact O-CA 3.37Å; V278-D299 VanDerWaalsContact O-CB 3.26Å; V278-D299 WeakPolarHBondContact O-CB 3.39Å; P280-D299 HydrophobicContact CG-CB 4.18Å
300	M	96.8	Very high	95.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	157.3	-177.7	-67.2	-179.7	-173.2	0	0	111.3	R254 F256 L257 F309 A310 K588 Q590	R254-M300 PolarHBondContact NH2-SD 2.94Å; R254-M300 VanDerWaalsContact NH2-SD 3.38Å; F256-M300 WeakPolarHBondContact CA-O 3.34Å; F256-M300 HydrophobicContact CD1-CB 4Å; F256-M300 HydrophobicContact CE1-CB 4.35Å; L257-M300 PolarHBondContact N-O 2.76Å; M300-F309 HydrophobicContact SD-CB 4.32Å; M300-A310 CarbonylContact C-O 3.58Å; M300-A310 VanDerWaalsContact CA-O 3.29Å; M300-A310 WeakPolarHBondContact CA-O 3.39Å; M300-A310 WeakPolarHBondContact CB-O 3.29Å; M300-K588 WeakPolarHBondContact CE-O 3.38Å; M300-Q590 HydrophobicContact CE-CG 3.78Å; M300-Q590 HydrophobicContact SD-CG 4.22Å
301	S	96.3	Very high	95.4	Very high	30 Å²	30	32.4 Å²	32.4	21%	0.21	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	157.1	164.8	61.4	0	0	0	0	111	L257 F309 A310	L257-S301 CarbonylContact O-C 3.54Å; L257-S301 WeakPolarHBondContact O-CA 3.4Å; L257-S301 VanDerWaalsContact O-CB 3.23Å; L257-S301 WeakPolarHBondContact O-CB 3.37Å; S301-F309 WeakPolarHBondContact O-CA 3.32Å; S301-A310 PolarHBondContact N-O 3.36Å; S301-A310 PolarHBondContact O-N 3.44Å; S301-A310 VanDerWaalsContact O-N 3.17Å; S301-A310 PolarHBondContact OG-O 3.38Å; S301-A310 VanDerWaalsContact OG-O 3.1Å
302	Y	97.1	Very high	95.1	Very high	11 Å²	11	33.5 Å²	33.5	4%	0.043	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.6	168.7	175	-108.2	0	0	0	110.9	F230 T235 V236 L257 S258 V304 T308 F309	F230-Y302 HydrophobicContact CB-CD1 4.18Å; F230-Y302 AromaticContact CD1-CD1 3.68Å; F230-Y302 HydrophobicContact CD1-CD1 3.68Å; F230-Y302 AromaticContact CD1-CE1 3.7Å; F230-Y302 HydrophobicContact CD1-CE1 3.7Å; F230-Y302 HydrophobicContact CD2-CD1 4.11Å; F230-Y302 HydrophobicContact CE1-CD1 4.06Å; F230-Y302 AromaticContact CE1-CE1 3.8Å; F230-Y302 HydrophobicContact CE1-CE1 3.8Å; F230-Y302 HydrophobicContact CE2-CD1 4.44Å; F230-Y302 AromaticContact CG-CD1 3.72Å; F230-Y302 HydrophobicContact CG-CD1 3.72Å; F230-Y302 HydrophobicContact CG-CE1 4.24Å; F230-Y302 HydrophobicContact CZ-CD1 4.42Å; F230-Y302 HydrophobicContact CZ-CE1 4.4Å; T235-Y302 HydrophobicContact CG2-CD1 3.96Å; T235-Y302 HydrophobicContact CG2-CD2 3.91Å; T235-Y302 HydrophobicContact CG2-CE1 3.97Å; T235-Y302 HydrophobicContact CG2-CE2 3.91Å; T235-Y302 HydrophobicContact CG2-CG 3.92Å; V236-Y302 PolarHBondContact N-OH 2.81Å; L257-Y302 PolarHBondContact O-N 2.81Å; S258-Y302 VanDerWaalsContact CA-O 3.25Å; S258-Y302 WeakPolarHBondContact CA-O 3.33Å; S258-Y302 WeakPolarHBondContact CB-O 3.36Å; S258-Y302 PolarHBondContact OG-O 3.38Å; Y302-V304 HydrophobicContact CE1-CG2 4.26Å; Y302-T308 CarbonylContact C-O 3.34Å; Y302-T308 WeakPolarHBondContact CA-O 3.43Å; Y302-F309 HydrophobicContact CD2-CD1 4.12Å; Y302-F309 HydrophobicContact CD2-CD2 4.16Å; Y302-F309 AromaticContact CD2-CE1 3.77Å; Y302-F309 HydrophobicContact CD2-CE1 3.77Å; Y302-F309 AromaticContact CD2-CE2 3.8Å; Y302-F309 HydrophobicContact CD2-CE2 3.8Å; Y302-F309 HydrophobicContact CD2-CG 4.31Å; Y302-F309 AromaticContact CD2-CZ 3.61Å; Y302-F309 HydrophobicContact CD2-CZ 3.61Å; Y302-F309 HydrophobicContact CE2-CD2 4.45Å; Y302-F309 HydrophobicContact CE2-CE1 4.41Å; Y302-F309 AromaticContact CE2-CE2 3.79Å; Y302-F309 HydrophobicContact CE2-CE2 3.79Å; Y302-F309 AromaticContact CE2-CZ 3.79Å; Y302-F309 HydrophobicContact CE2-CZ 3.79Å; Y302-F309 HydrophobicContact CG-CE1 4.47Å
303	S	95.1	Very high	93.9	Very high	48 Å²	48	31 Å²	31	34%	0.336	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	134.4	171.3	179.7	0	0	0	0	110.2	A305 S307 T308	S303-A305 PolarHBondContact O-N 3.45Å; S303-A305 PolarHBondContact OG-N 3.09Å; S303-S307 CarbonylContact O-C 3.57Å; S303-T308 PolarHBondContact N-O 3.48Å; S303-T308 PolarHBondContact O-N 3.27Å
304	V	93.5	Very high	91.9	Very high	30 Å²	30	30.3 Å²	30.3	18%	0.182	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-36.3	174.8	-179.8	0	0	0	0	110.5	P121 E260 Y302 Y306 S307 Q643	P121-V304 HydrophobicContact CB-CG2 4.43Å; E260-V304 HydrophobicContact CG-CG2 4.42Å; Y302-V304 HydrophobicContact CE1-CG2 4.26Å; V304-Y306 PolarHBondContact O-N 2.82Å; V304-S307 PolarHBondContact O-N 3.18Å; V304-Q643 HydrophobicContact CG1-CB 4.44Å; V304-Q643 HydrophobicContact CG1-CG 4.13Å
305	A	93.5	Very high	89	Confident	29 Å²	29	37.7 Å²	37.7	24%	0.24	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-61.8	121.9	175.2	0	0	0	0	0	110.4	S303 S307 T308	S303-A305 PolarHBondContact O-N 3.45Å; S303-A305 PolarHBondContact OG-N 3.09Å; A305-S307 PolarHBondContact O-N 3.03Å; A305-S307 VanDerWaalsContact O-N 3.09Å; A305-T308 PolarHBondContact O-N 3.42Å; A305-T308 PolarHBondContact O-OG1 2.92Å
306	Y	96.4	Very high	85.9	Confident	20 Å²	20	41.5 Å²	41.5	8%	0.078	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	56.8	21	-178.4	-53.8	-85.8	0	0	0	114.3	V304 T308 R592 L593 Y624 Q643 M645 V646 P882 L883	V304-Y306 PolarHBondContact O-N 2.82Å; Y306-T308 PolarHBondContact O-N 2.94Å; Y306-R592 WeakPolarHBondContact O-CA 3.3Å; Y306-L593 CarbonylContact C-O 3.54Å; Y306-L593 WeakPolarHBondContact CA-O 3.41Å; Y306-L593 WeakPolarHBondContact CB-O 3.43Å; Y306-L593 PolarHBondContact O-N 3.14Å; Y306-Y624 AromaticContact CD1-CD2 3.91Å; Y306-Y624 HydrophobicContact CD1-CD2 3.91Å; Y306-Y624 HydrophobicContact CD1-CE2 4.2Å; Y306-Y624 HydrophobicContact CE1-CD2 4.45Å; Y306-Y624 HydrophobicContact CG-CD2 4.42Å; Y306-Q643 PolarHBondContact N-O 3.31Å; Y306-M645 PolarHBondContact OH-O 3.03Å; Y306-V646 HydrophobicContact CD1-CG2 4.38Å; Y306-V646 HydrophobicContact CE1-CG2 3.8Å; Y306-P882 HydrophobicContact CD2-CB 3.35Å; Y306-P882 HydrophobicContact CD2-CG 3.45Å; Y306-P882 VanDerWaalsContact CD2-CG 3.45Å; Y306-P882 HydrophobicContact CE2-CB 3.85Å; Y306-P882 HydrophobicContact CE2-CG 3.58Å; Y306-P882 HydrophobicContact CG-CB 4.02Å; Y306-L883 HydrophobicContact CE1-CD2 3.99Å; Y306-L883 HydrophobicContact CE2-CD1 4.36Å; Y306-L883 HydrophobicContact CE2-CD2 4.06Å; Y306-L883 HydrophobicContact CE2-CG 4.08Å; Y306-L883 VanDerWaalsContact OH-CD1 3.29Å; Y306-L883 WeakPolarHBondContact OH-CD1 3.38Å; Y306-L883 WeakPolarHBondContact OH-CD2 3.23Å
307	S	96.7	Very high	82.5	Confident	4 Å²	4	44.3 Å²	44.3	3%	0.028	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	47.1	46.9	-177.4	-53.4	0	0	0	0	112.3	S303 V304 A305 F309 C644	S303-S307 CarbonylContact O-C 3.57Å; V304-S307 PolarHBondContact O-N 3.18Å; A305-S307 PolarHBondContact O-N 3.03Å; A305-S307 VanDerWaalsContact O-N 3.09Å; S307-F309 WeakPolarHBondContact O-CD2 3.23Å; S307-C644 PolarHBondContact OG-SG 3.24Å
308	T	97.9	Very high	79.2	Confident	9 Å²	9	52.5 Å²	52.5	6%	0.055	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	120.9	-165.9	-61.5	0	0	0	0	111.1	Y302 S303 A305 Y306 A310 A591 R592 L621	Y302-T308 CarbonylContact C-O 3.34Å; Y302-T308 WeakPolarHBondContact CA-O 3.43Å; S303-T308 PolarHBondContact N-O 3.48Å; S303-T308 PolarHBondContact O-N 3.27Å; A305-T308 PolarHBondContact O-N 3.42Å; A305-T308 PolarHBondContact O-OG1 2.92Å; Y306-T308 PolarHBondContact O-N 2.94Å; T308-A310 HydrophobicContact CG2-CB 3.89Å; T308-A591 CarbonylContact C-O 3.59Å; T308-A591 WeakPolarHBondContact CA-O 3.32Å; T308-R592 HydrophobicContact CG2-CB 4.35Å; T308-L621 HydrophobicContact CG2-CD2 4.08Å
309	F	97.8	Very high	75.7	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	111.3	163.6	-63.8	-97.9	0	0	0	108.2	T235 I237 F256 M300 S301 Y302 S307 L581 V585 Q590 A591	T235-F309 HydrophobicContact CG2-CE1 3.93Å; T235-F309 HydrophobicContact CG2-CZ 3.74Å; I237-F309 HydrophobicContact CD1-CE2 4.31Å; I237-F309 HydrophobicContact CD1-CZ 3.84Å; F256-F309 AromaticContact CD1-CD1 3.66Å; F256-F309 HydrophobicContact CD1-CD1 3.66Å; F256-F309 AromaticContact CD1-CE1 3.98Å; F256-F309 HydrophobicContact CD1-CE1 3.98Å; F256-F309 HydrophobicContact CD2-CD1 4.41Å; F256-F309 AromaticContact CD2-CE1 3.89Å; F256-F309 HydrophobicContact CD2-CE1 3.89Å; F256-F309 AromaticContact CE1-CD1 3.57Å; F256-F309 HydrophobicContact CE1-CD1 3.57Å; F256-F309 AromaticContact CE1-CE1 3.85Å; F256-F309 HydrophobicContact CE1-CE1 3.85Å; F256-F309 HydrophobicContact CE2-CD1 4.35Å; F256-F309 AromaticContact CE2-CE1 3.78Å; F256-F309 HydrophobicContact CE2-CE1 3.78Å; F256-F309 HydrophobicContact CG-CD1 4.08Å; F256-F309 AromaticContact CG-CE1 3.99Å; F256-F309 HydrophobicContact CG-CE1 3.99Å; F256-F309 AromaticContact CZ-CD1 3.94Å; F256-F309 HydrophobicContact CZ-CD1 3.94Å; F256-F309 AromaticContact CZ-CE1 3.75Å; F256-F309 HydrophobicContact CZ-CE1 3.75Å; M300-F309 HydrophobicContact SD-CB 4.32Å; S301-F309 WeakPolarHBondContact O-CA 3.32Å; Y302-F309 HydrophobicContact CD2-CD1 4.12Å; Y302-F309 HydrophobicContact CD2-CD2 4.16Å; Y302-F309 AromaticContact CD2-CE1 3.77Å; Y302-F309 HydrophobicContact CD2-CE1 3.77Å; Y302-F309 AromaticContact CD2-CE2 3.8Å; Y302-F309 HydrophobicContact CD2-CE2 3.8Å; Y302-F309 HydrophobicContact CD2-CG 4.31Å; Y302-F309 AromaticContact CD2-CZ 3.61Å; Y302-F309 HydrophobicContact CD2-CZ 3.61Å; Y302-F309 HydrophobicContact CE2-CD2 4.45Å; Y302-F309 HydrophobicContact CE2-CE1 4.41Å; Y302-F309 AromaticContact CE2-CE2 3.79Å; Y302-F309 HydrophobicContact CE2-CE2 3.79Å; Y302-F309 AromaticContact CE2-CZ 3.79Å; Y302-F309 HydrophobicContact CE2-CZ 3.79Å; Y302-F309 HydrophobicContact CG-CE1 4.47Å; S307-F309 WeakPolarHBondContact O-CD2 3.23Å; F309-L581 HydrophobicContact CD2-CD1 4.23Å; F309-L581 HydrophobicContact CE2-CD1 4.26Å; F309-L581 HydrophobicContact CE2-CD2 4.09Å; F309-L581 HydrophobicContact CE2-CG 4.22Å; F309-V585 HydrophobicContact CB-CG2 4.36Å; F309-V585 HydrophobicContact CD1-CG1 4.19Å; F309-V585 HydrophobicContact CD1-CG2 3.98Å; F309-V585 HydrophobicContact CD2-CG2 3.65Å; F309-V585 HydrophobicContact CE1-CG1 4.09Å; F309-V585 HydrophobicContact CE1-CG2 4.11Å; F309-V585 HydrophobicContact CE2-CG2 3.81Å; F309-V585 HydrophobicContact CG-CG2 3.73Å; F309-V585 HydrophobicContact CZ-CG2 4.03Å; F309-Q590 CarbonylContact O-C 3.42Å; F309-Q590 VanDerWaalsContact O-CA 3.25Å; F309-Q590 WeakPolarHBondContact O-CA 3.03Å; F309-Q590 WeakPolarHBondContact O-CB 3.1Å; F309-A591 PolarHBondContact N-O 3.44Å; F309-A591 PolarHBondContact O-N 3Å
310	A	96.3	Very high	72.4	Confident	14 Å²	14	60.3 Å²	60.3	12%	0.116	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	151.5	-174.6	0	0	0	0	0	111.6	M300 S301 T308 L621	M300-A310 CarbonylContact C-O 3.58Å; M300-A310 VanDerWaalsContact CA-O 3.29Å; M300-A310 WeakPolarHBondContact CA-O 3.39Å; M300-A310 WeakPolarHBondContact CB-O 3.29Å; S301-A310 PolarHBondContact N-O 3.36Å; S301-A310 PolarHBondContact O-N 3.44Å; S301-A310 VanDerWaalsContact O-N 3.17Å; S301-A310 PolarHBondContact OG-O 3.38Å; S301-A310 VanDerWaalsContact OG-O 3.1Å; T308-A310 HydrophobicContact CG2-CB 3.89Å; A310-L621 HydrophobicContact CB-CD2 4.38Å
311	N	93.4	Very high	69.1	Low	42 Å²	42	65.5 Å²	65.5	23%	0.225	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	150.6	170.8	-72	-6.1	0	0	0	111	Q590 S617	N311-Q590 VanDerWaalsContact CG-OE1 3.29Å; N311-Q590 PolarHBondContact ND2-NE2 3.13Å; N311-Q590 VanDerWaalsContact OD1-CD 3.24Å; N311-Q590 WeakPolarHBondContact OD1-CG 3.43Å; N311-S617 PolarHBondContact ND2-O 3.28Å
312	I	87.2	Confident	65.8	Low	48 Å²	48	73.2 Å²	73.2	25%	0.246	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-93.1	120.2	176.4	-61.6	178.7	0	0	0	107.8	L257 Y298 S314	L257-I312 HydrophobicContact CB-CD1 4.21Å; L257-I312 HydrophobicContact CD2-CD1 4.4Å; Y298-I312 HydrophobicContact CD2-CD1 3.36Å; Y298-I312 HydrophobicContact CE2-CD1 3.28Å; I312-S314 PolarHBondContact O-N 3.29Å
313	S	66.5	Low	62.8	Low	89 Å²	89	78.7 Å²	78.7	62%	0.622	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-58.7	133.3	171.7	-55.8	0	0	0	0	109.2	E315	S313-E315 PolarHBondContact O-N 2.88Å
314	S	47.8	Very low	59.6	Low	105 Å²	105	81.2 Å²	81.2	73%	0.734	51%	0.506	S	S	*	.	S	Bend	trans	-69	62.8	174	-78.9	0	0	0	0	111.7	I312	I312-S314 PolarHBondContact O-N 3.29Å
315	E	33.1	Very low	56.7	Low	165 Å²	165	85 Å²	85	77%	0.771	53%	0.534	S	S	*	.			trans	-122.5	77.4	168.7	-72.3	-165.1	168	0	0	108.1	S313	S313-E315 PolarHBondContact O-N 2.88Å
316	N	29.8	Very low	53.7	Low	173 Å²	173	87.3 Å²	87.3	93%	0.925	56%	0.561	S	S	*	*	S	Bend	trans	-169	28	156.3	-95.2	-31	0	0	0	112.5
317	G	27.5	Very low	50.8	Low	73 Å²	73	93.7 Å²	93.7	75%	0.753	60%	0.595	S	S	*	*	S	Bend	trans	-116.4	0.8	-172.9	0	0	0	0	0	117.3
318	Q	26.9	Very low	47.7	Very low	184 Å²	184	98.5 Å²	98.5	86%	0.86	63%	0.628	S	S	*	*			trans	-137.9	93.1	-177.9	-75.1	-177.9	-5.4	0	0	112.9
319	S	24.7	Very low	44.6	Very low	136 Å²	136	102.8 Å²	102.8	95%	0.951	66%	0.659	S	S	*	*			trans	-72	110.5	140.5	178.3	0	0	0	0	106.7
320	G	26	Very low	41.5	Very low	57 Å²	57	110.4 Å²	110.4	59%	0.588	70%	0.7	S	S	*	*			trans	154.6	105.5	171.9	0	0	0	0	0	114.9
321	S	27.5	Very low	38.5	Very low	109 Å²	109	117.8 Å²	117.8	76%	0.762	74%	0.737	S	S	*	*			trans	90.4	79.1	161.9	-153.2	0	0	0	0	117.3	T323	S321-T323 PolarHBondContact O-N 2.99Å
322	E	27.4	Very low	35.7	Very low	192 Å²	192	120.2 Å²	120.2	90%	0.897	76%	0.763	S	S	*	*			trans	-54.7	116.6	142.5	-63.3	-178	157.9	0	0	109.9
323	T	32.7	Very low	33	Very low	125 Å²	125	121.1 Å²	121.1	77%	0.767	78%	0.784	S	S	*	*			trans	-145.9	112.8	142.3	45.2	0	0	0	0	108.9	S321	S321-T323 PolarHBondContact O-N 2.99Å
324	A	29	Very low	31.3	Very low	101 Å²	101	125.3 Å²	125.3	84%	0.835	80%	0.799	S	S	*	*			trans	-51.7	145.3	170.5	0	0	0	0	0	113.4
325	S	33.5	Very low	30.5	Very low	110 Å²	110	128.9 Å²	128.9	77%	0.769	80%	0.804	S	S	*	*			trans	-157.3	103.7	132.5	56.9	0	0	0	0	109
326	G	29.3	Very low	30.4	Very low	77 Å²	77	127.5 Å²	127.5	79%	0.794	81%	0.807	S	S	*	*			trans	-75	135.3	163.8	0	0	0	0	0	110.4
327	I	35.9	Very low	30.4	Very low	155 Å²	155	124.9 Å²	124.9	80%	0.795	80%	0.802	S	S	*	*			trans	-146.6	93.4	159.5	-51.7	174.6	0	0	0	103.6
328	S	30.7	Very low	30.5	Very low	104 Å²	104	126.3 Å²	126.3	73%	0.727	80%	0.8	S	S	*	*				71.6	119.7	96.4	-165.4	0	0	0	0	113
329	S	33.2	Very low	30.8	Very low	99 Å²	99	125.1 Å²	125.1	69%	0.692	80%	0.8	S	S	*	*			trans	-41.1	139	165.9	50.7	0	0	0	0	113.1
330	D	33.1	Very low	31.5	Very low	161 Å²	161	126.4 Å²	126.4	86%	0.861	79%	0.793	S	S	*	*			trans	-151.9	135.4	134	-88.6	-31.9	0	0	0	110.8
331	D	32.9	Very low	32.6	Very low	168 Å²	168	129 Å²	129	90%	0.898	80%	0.8	S	S	*	*			trans	-55.6	120.1	172.5	-164.7	22.7	0	0	0	110
332	A	35	Very low	34.6	Very low	93 Å²	93	130.5 Å²	130.5	77%	0.769	79%	0.794	S	S	*	*			trans	-143.4	114.1	173.7	0	0	0	0	0	109.7
333	G	29.9	Very low	37.6	Very low	68 Å²	68	127.9 Å²	127.9	70%	0.701	78%	0.776	S	S	*	*			trans	-56.7	153	-172.9	0	0	0	0	0	114.5	E335	G333-E335 VanDerWaalsContact C-N 3.26Å; G333-E335 PolarHBondContact O-N 2.95Å
334	L	32.2	Very low	40.6	Very low	177 Å²	177	125.4 Å²	125.4	93%	0.927	76%	0.761	S	S	*	*			trans	-57.4	89.7	163.1	-96.6	76.2	0	0	0	109.2
335	E	30.9	Very low	43.8	Very low	179 Å²	179	120.6 Å²	120.6	84%	0.836	72%	0.721	S	S	*	*			trans	-102.5	112.1	151.6	-70.8	-158.7	171.6	0	0	108	G333 S337	G333-E335 VanDerWaalsContact C-N 3.26Å; G333-E335 PolarHBondContact O-N 2.95Å; E335-S337 PolarHBondContact O-N 3.07Å
336	T	29.6	Very low	46.9	Very low	136 Å²	136	116.1 Å²	116.1	83%	0.834	69%	0.69	S	S	*	*			trans	-53.4	99.2	171.4	42.7	0	0	0	0	110.2	S338	T336-S338 PolarHBondContact O-N 3.08Å
337	S	29.7	Very low	50.2	Low	119 Å²	119	112.5 Å²	112.5	83%	0.832	65%	0.652	S	S	*	*			trans	-82.5	102.6	166.2	56.3	0	0	0	0	109.2	E335	E335-S337 PolarHBondContact O-N 3.07Å
338	S	30.6	Very low	53.2	Low	102 Å²	102	105.1 Å²	105.1	71%	0.713	61%	0.614	S	S	*	*			trans	-70.1	122.7	167.6	40.4	0	0	0	0	110	T336	T336-S338 PolarHBondContact O-N 3.08Å
339	N	33.5	Very low	56.5	Low	159 Å²	159	100.2 Å²	100.2	85%	0.85	58%	0.58	S	S	*	*			trans	144	28.6	155.9	-75.3	-16.2	0	0	0	115.8
340	M	38.8	Very low	59.6	Low	163 Å²	163	95.5 Å²	95.5	80%	0.803	55%	0.547	S	S	*	.	S	Bend	trans	-77.9	126.7	155	-76.5	-67.8	-75.8	0	0	108.3	E342	M340-E342 PolarHBondContact O-N 3.44Å; M340-E342 VanDerWaalsContact O-N 3.15Å
341	P	48.7	Very low	62.7	Low	112 Å²	112	89.5 Å²	89.5	73%	0.727	51%	0.512	S	S	*	.			trans	-58.4	122.2	177.1	22	-30.6	0	0	0	109.1	R343	P341-R343 PolarHBondContact O-N 2.88Å
342	E	69.6	Low	65.8	Low	140 Å²	140	82 Å²	82	65%	0.654	47%	0.473	S	S	*	.			trans	-53.5	113.9	179.4	-75.8	-176.5	166.2	0	0	109.7	M340 T344	M340-E342 PolarHBondContact O-N 3.44Å; M340-E342 VanDerWaalsContact O-N 3.15Å; E342-T344 PolarHBondContact O-N 3.42Å
343	R	90.5	Very high	68.8	Low	137 Å²	137	78.3 Å²	78.3	52%	0.517	44%	0.444	S	S	.	.			trans	-66.2	125.6	174.7	-76	-172.3	178.6	170.7	4.7	108.1	P341 L370 K371 L874	P341-R343 PolarHBondContact O-N 2.88Å; R343-L370 HydrophobicContact CB-CD1 4.17Å; R343-L370 WeakPolarHBondContact O-CD1 3.33Å; R343-K371 PolarHBondContact O-N 2.69Å; R343-L874 HydrophobicContact CB-CD2 4.04Å; R343-L874 HydrophobicContact CG-CD2 4.3Å
344	T	95.2	Very high	72.1	Confident	73 Å²	73	75.1 Å²	75.1	45%	0.448	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	139.4	177.6	-54.4	0	0	0	0	109.8	E342 K371	E342-T344 PolarHBondContact O-N 3.42Å; T344-K371 CarbonylContact C-O 3.59Å; T344-K371 VanDerWaalsContact CA-O 3.3Å; T344-K371 WeakPolarHBondContact CA-O 3.07Å; T344-K371 HydrophobicContact CG2-CD 4.44Å
345	A	97.8	Very high	75.2	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	147.4	175.7	0	0	0	0	0	110.7	L370 K371 L372 E373 D513 Y873	A345-L370 HydrophobicContact CB-CD1 4.05Å; A345-L370 HydrophobicContact CB-CD2 4.24Å; A345-L370 HydrophobicContact CB-CG 4.4Å; A345-K371 PolarHBondContact N-O 3.16Å; A345-L372 HydrophobicContact CB-CD1 3.81Å; A345-L372 WeakPolarHBondContact O-CA 3.45Å; A345-E373 PolarHBondContact O-N 2.84Å; A345-D513 WeakPolarHBondContact CA-OD2 3.22Å; A345-D513 HydrophobicContact CB-CB 4.14Å; A345-Y873 HydrophobicContact CB-CD2 4.42Å; A345-Y873 HydrophobicContact CB-CE1 4.3Å; A345-Y873 HydrophobicContact CB-CE2 3.82Å
346	T	98.5	Very high	78.4	Confident	17 Å²	17	58.2 Å²	58.2	10%	0.104	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	135.2	-176.9	59	0	0	0	0	111.9	R375 D511 V512 D513 V514	T346-R375 HydrophobicContact CG2-CG 3.83Å; T346-D511 PolarHBondContact OG1-O 2.94Å; T346-V512 WeakPolarHBondContact OG1-CA 3.45Å; T346-D513 PolarHBondContact N-OD2 3.45Å; T346-D513 WeakPolarHBondContact O-CB 3.42Å; T346-D513 PolarHBondContact O-N 2.79Å; T346-D513 PolarHBondContact OG1-N 3.26Å; T346-D513 PolarHBondContact OG1-OD2 3.08Å; T346-V514 PolarHBondContact O-N 3.39Å
347	L	98.8	Very high	81.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	133.4	178.3	174.7	67.1	0	0	0	110.7	L361 L372 E373 R375 W376 V514 C516	L347-L361 HydrophobicContact CD2-CD1 4.31Å; L347-L372 HydrophobicContact CB-CD1 4.06Å; L347-L372 HydrophobicContact CB-CG 4.25Å; L347-L372 HydrophobicContact CD2-CD2 4.29Å; L347-E373 WeakPolarHBondContact CB-O 3.29Å; L347-E373 PolarHBondContact N-O 2.92Å; L347-R375 PolarHBondContact O-N 2.98Å; L347-W376 PolarHBondContact O-N 3.39Å; L347-V514 WeakPolarHBondContact CA-O 3.07Å; L347-V514 HydrophobicContact CD1-CB 3.71Å; L347-V514 HydrophobicContact CD1-CG1 3.62Å; L347-V514 WeakPolarHBondContact CD1-O 3.46Å; L347-C516 HydrophobicContact CD1-CB 4.18Å
348	L	98.9	Very high	85	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.2	164.7	168.4	66.9	0	0	0	108.7	L350 W376 V378 F405 V512 V514 I515 C516 I551 L555	L348-L350 HydrophobicContact CD1-CD2 4.23Å; L348-L350 HydrophobicContact CD2-CD2 4.15Å; L348-L350 HydrophobicContact CD2-CG 4.34Å; L348-L350 HydrophobicContact CG-CD2 4.19Å; L348-L350 HydrophobicContact CG-CG 4.23Å; L348-W376 WeakPolarHBondContact CA-O 3.21Å; L348-W376 HydrophobicContact CB-CE3 4.27Å; L348-W376 HydrophobicContact CD1-CB 3.54Å; L348-V378 HydrophobicContact CD1-CG2 4.31Å; L348-F405 HydrophobicContact CD1-CE1 4.07Å; L348-F405 HydrophobicContact CD1-CZ 4.07Å; L348-F405 HydrophobicContact CD2-CE1 4.11Å; L348-V512 HydrophobicContact CB-CG1 3.73Å; L348-V512 HydrophobicContact CB-CG2 4.46Å; L348-V514 PolarHBondContact N-O 3.36Å; L348-I515 HydrophobicContact CB-CG1 4.23Å; L348-I515 HydrophobicContact CD2-CD1 4.08Å; L348-I515 HydrophobicContact CD2-CG1 4.09Å; L348-I515 WeakPolarHBondContact O-CA 3.23Å; L348-C516 PolarHBondContact O-N 3.42Å; L348-I551 HydrophobicContact CD2-CG2 4.28Å; L348-L555 HydrophobicContact CD2-CD1 3.53Å
349	D	98.8	Very high	88.2	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	111.9	176.3	-168.4	0.6	0	0	0	110.8	S352 S358 T374 W376 A377 V378 C516	D349-S352 VanDerWaalsContact CG-CB 3.4Å; D349-S352 VanDerWaalsContact OD2-CB 3.3Å; D349-S352 WeakPolarHBondContact OD2-CB 3.37Å; D349-S358 WeakPolarHBondContact OD2-CB 3.43Å; D349-S358 PolarHBondContact OD2-OG 3Å; D349-T374 HydrophobicContact CB-CG2 4.24Å; D349-W376 PolarHBondContact N-O 2.9Å; D349-A377 HydrophobicContact CB-CB 4.41Å; D349-A377 CarbonylContact O-C 2.95Å; D349-A377 VanDerWaalsContact O-CA 3.31Å; D349-A377 WeakPolarHBondContact O-CA 3.31Å; D349-V378 PolarHBondContact O-N 3.37Å; D349-C516 VanDerWaalsContact CG-SG 3.55Å; D349-C516 PolarHBondContact OD1-SG 2.82Å; D349-C516 VanDerWaalsContact OD1-SG 3.38Å
350	L	98.7	Very high	91.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	135	178.2	-64.3	173.4	0	0	0	110.3	L348 S352 V378 F405 I515 C516 G517 G518 F548 I551	L348-L350 HydrophobicContact CD1-CD2 4.23Å; L348-L350 HydrophobicContact CD2-CD2 4.15Å; L348-L350 HydrophobicContact CD2-CG 4.34Å; L348-L350 HydrophobicContact CG-CD2 4.19Å; L348-L350 HydrophobicContact CG-CG 4.23Å; L350-S352 VanDerWaalsContact C-N 3.26Å; L350-V378 HydrophobicContact CD2-CB 4.2Å; L350-V378 HydrophobicContact CD2-CG2 4.15Å; L350-F405 HydrophobicContact CD2-CD1 4.27Å; L350-F405 HydrophobicContact CD2-CE1 4.28Å; L350-I515 HydrophobicContact CD1-CG2 3.8Å; L350-I515 HydrophobicContact CG-CG2 4.32Å; L350-C516 PolarHBondContact N-O 3.04Å; L350-G517 WeakPolarHBondContact O-CA 3.39Å; L350-G518 PolarHBondContact O-N 3.07Å; L350-F548 HydrophobicContact CB-CD2 4.25Å; L350-F548 HydrophobicContact CB-CE2 4.39Å; L350-F548 HydrophobicContact CD1-CD2 3.71Å; L350-F548 HydrophobicContact CD1-CE2 3.95Å; L350-I551 HydrophobicContact CD1-CB 4.08Å; L350-I551 HydrophobicContact CD1-CD1 3.87Å; L350-I551 HydrophobicContact CD1-CG2 3.84Å; L350-I551 HydrophobicContact CD2-CD1 3.9Å; L350-I551 HydrophobicContact CD2-CG2 4.49Å
351	Y	98.3	Very high	94.2	Very high	36 Å²	36	26.5 Å²	26.5	14%	0.141	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	43.8	-173.6	-41.2	-75.8	0	0	0	110.7	G353 V378 A402 P519 Q544 F548	Y351-G353 PolarHBondContact O-N 3.21Å; Y351-V378 WeakPolarHBondContact CA-O 2.97Å; Y351-V378 PolarHBondContact N-O 3.44Å; Y351-A402 HydrophobicContact CE1-CB 3.6Å; Y351-A402 WeakPolarHBondContact OH-CB 3.26Å; Y351-P519 HydrophobicContact CD2-CB 4.1Å; Y351-P519 HydrophobicContact CE2-CB 3.72Å; Y351-Q544 HydrophobicContact CE1-CB 4.16Å; Y351-Q544 HydrophobicContact CE1-CG 4.27Å; Y351-Q544 PolarHBondContact OH-O 2.98Å; Y351-Q544 PolarHBondContact OH-OE1 3.49Å; Y351-Q544 VanDerWaalsContact OH-OE1 3.13Å; Y351-F548 HydrophobicContact CD2-CD2 4.5Å; Y351-F548 HydrophobicContact CE2-CB 4.15Å; Y351-F548 HydrophobicContact CE2-CD2 4.06Å
352	S	98.2	Very high	96.5	Very high	10 Å²	10	22.3 Å²	22.3	7%	0.07	11%	0.112	C	C	.	.			trans	-62.7	-19.9	-163.3	60.6	0	0	0	0	113.8	D349 L350 C354 G355 V378 L388	D349-S352 VanDerWaalsContact CG-CB 3.4Å; D349-S352 VanDerWaalsContact OD2-CB 3.3Å; D349-S352 WeakPolarHBondContact OD2-CB 3.37Å; L350-S352 VanDerWaalsContact C-N 3.26Å; S352-C354 PolarHBondContact O-N 3.3Å; S352-G355 WeakPolarHBondContact O-CA 3.22Å; S352-G355 PolarHBondContact O-N 2.89Å; S352-V378 PolarHBondContact N-O 2.83Å; S352-L388 WeakPolarHBondContact OG-CD1 3.31Å
353	G	98	Very high	97.8	Very high	16 Å²	16	15.8 Å²	15.8	17%	0.165	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	-136.9	-167.3	0	0	0	0	0	109.4	Y351 G355 D379	Y351-G353 PolarHBondContact O-N 3.21Å; G353-G355 PolarHBondContact O-N 2.98Å; G353-D379 WeakPolarHBondContact CA-OD2 2.93Å; G353-D379 PolarHBondContact N-OD2 2.64Å
354	C	98.2	Very high	98.1	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.007	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	0.1	173.2	62.1	0	0	0	0	114.1	S352 Y840 L842 Q852	S352-C354 PolarHBondContact O-N 3.3Å; C354-Y840 WeakPolarHBondContact O-CE1 3.4Å; C354-Y840 PolarHBondContact O-OH 3.13Å; C354-L842 HydrophobicContact CB-CD2 4.06Å; C354-Q852 HydrophobicContact CB-CB 3.92Å; C354-Q852 HydrophobicContact CB-CG 4.09Å
355	G	98.1	Very high	98.2	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.035	C	C	.	.	S	Bend	trans	101.8	11.9	174.9	0	0	0	0	0	116.3	S352 G353 M357 S358 T359	S352-G355 WeakPolarHBondContact O-CA 3.22Å; S352-G355 PolarHBondContact O-N 2.89Å; G353-G355 PolarHBondContact O-N 2.98Å; G355-M357 VanDerWaalsContact C-N 3.27Å; G355-M357 PolarHBondContact O-N 3.09Å; G355-M357 VanDerWaalsContact O-N 3.15Å; G355-S358 PolarHBondContact O-N 3.14Å; G355-S358 PolarHBondContact O-OG 2.94Å; G355-T359 VanDerWaalsContact O-CB 3.28Å; G355-T359 WeakPolarHBondContact O-CB 3.22Å; G355-T359 PolarHBondContact O-N 2.94Å; G355-T359 PolarHBondContact O-OG1 3.45Å
356	G	98.2	Very high	98	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.01	4%	0.044	C	C	.	.	H	α-helix	trans	-55.5	-37	-175.5	0	0	0	0	0	114.9	G360	G356-G360 PolarHBondContact O-N 3.2Å
357	M	98.7	Very high	97.8	Very high	12 Å²	12	8.3 Å²	8.3	6%	0.059	5%	0.051	C	C	.	.	H	α-helix	trans	-74.4	-54.1	177.4	-177.2	165.2	52.9	0	0	112.2	G355 T359 G360 L361 C516 G517 L561 E563 V857 A862	G355-M357 VanDerWaalsContact C-N 3.27Å; G355-M357 PolarHBondContact O-N 3.09Å; G355-M357 VanDerWaalsContact O-N 3.15Å; M357-T359 PolarHBondContact O-N 3.23Å; M357-G360 PolarHBondContact O-N 2.79Å; M357-L361 HydrophobicContact CG-CD1 3.96Å; M357-L361 HydrophobicContact CG-CG 4.37Å; M357-L361 WeakPolarHBondContact O-CG 3.3Å; M357-L361 PolarHBondContact O-N 3.37Å; M357-C516 HydrophobicContact CE-CB 3.77Å; M357-C516 HydrophobicContact CG-CB 4.5Å; M357-C516 HydrophobicContact SD-CB 4.13Å; M357-G517 VanDerWaalsContact CE-CA 3.48Å; M357-G517 VanDerWaalsContact CE-N 3.34Å; M357-L561 HydrophobicContact SD-CD2 4.23Å; M357-E563 HydrophobicContact SD-CB 3.99Å; M357-V857 HydrophobicContact CB-CB 3.97Å; M357-V857 HydrophobicContact CB-CG2 3.94Å; M357-V857 HydrophobicContact CG-CG2 4.4Å; M357-V857 HydrophobicContact SD-CG2 4.18Å; M357-A862 HydrophobicContact CG-CB 4.46Å; M357-A862 WeakPolarHBondContact O-CB 3.31Å
358	S	98.6	Very high	97.5	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-59.8	-44.2	179.8	40.6	0	0	0	0	112.6	D349 G355 G360 L361 C362 T374	D349-S358 WeakPolarHBondContact OD2-CB 3.43Å; D349-S358 PolarHBondContact OD2-OG 3Å; G355-S358 PolarHBondContact O-N 3.14Å; G355-S358 PolarHBondContact O-OG 2.94Å; S358-G360 PolarHBondContact O-N 2.93Å; S358-L361 PolarHBondContact O-N 2.97Å; S358-C362 PolarHBondContact O-N 3.21Å; S358-C362 PolarHBondContact O-SG 2.65Å; S358-C362 VanDerWaalsContact O-SG 3.33Å; S358-T374 WeakPolarHBondContact CB-OG1 3.03Å
359	T	98.5	Very high	97.2	Very high	1 Å²	1	11 Å²	11	1%	0.006	8%	0.077	C	C	.	.	H	α-helix	trans	-55.4	-53.9	173.6	-55.7	0	0	0	0	110.4	G355 M357 L361 C362 L363 H392 Y840	G355-T359 VanDerWaalsContact O-CB 3.28Å; G355-T359 WeakPolarHBondContact O-CB 3.22Å; G355-T359 PolarHBondContact O-N 2.94Å; G355-T359 PolarHBondContact O-OG1 3.45Å; M357-T359 PolarHBondContact O-N 3.23Å; T359-L361 PolarHBondContact O-N 3.28Å; T359-C362 PolarHBondContact O-N 2.89Å; T359-L363 HydrophobicContact CG2-CD1 4.02Å; T359-L363 HydrophobicContact CG2-CG 4.41Å; T359-L363 VanDerWaalsContact O-CG 3.26Å; T359-L363 WeakPolarHBondContact O-CG 3.25Å; T359-L363 PolarHBondContact O-N 2.66Å; T359-L363 VanDerWaalsContact O-N 3.08Å; T359-H392 PolarHBondContact OG1-NE2 2.87Å; T359-Y840 HydrophobicContact CG2-CD2 4.28Å; T359-Y840 HydrophobicContact CG2-CE2 3.83Å; T359-Y840 VanDerWaalsContact OG1-CE2 3.26Å; T359-Y840 WeakPolarHBondContact OG1-CE2 3.28Å; T359-Y840 PolarHBondContact OG1-OH 3.22Å
360	G	98.3	Very high	97.1	Very high	0 Å²	0	11 Å²	11	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-58.1	-46.7	180	0	0	0	0	0	112.5	G356 M357 S358 C362 L363 G364 A862 R863	G356-G360 PolarHBondContact O-N 3.2Å; M357-G360 PolarHBondContact O-N 2.79Å; S358-G360 PolarHBondContact O-N 2.93Å; G360-C362 PolarHBondContact O-N 3.45Å; G360-L363 PolarHBondContact O-N 3.07Å; G360-G364 PolarHBondContact O-N 2.91Å; G360-A862 CarbonylContact C-O 3.44Å; G360-R863 WeakPolarHBondContact O-CA 3.18Å; G360-R863 PolarHBondContact O-N 3.2Å
361	L	98.7	Very high	97	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-56.7	-47.4	178.6	-71.9	170.8	0	0	0	112.3	L347 M357 S358 T359 G364 A365 L372 C516 L561 A862 L865 G866	L347-L361 HydrophobicContact CD2-CD1 4.31Å; M357-L361 HydrophobicContact CG-CD1 3.96Å; M357-L361 HydrophobicContact CG-CG 4.37Å; M357-L361 WeakPolarHBondContact O-CG 3.3Å; M357-L361 PolarHBondContact O-N 3.37Å; S358-L361 PolarHBondContact O-N 2.97Å; T359-L361 PolarHBondContact O-N 3.28Å; L361-G364 PolarHBondContact O-N 3.48Å; L361-A365 WeakPolarHBondContact O-CB 3.35Å; L361-A365 PolarHBondContact O-N 3.33Å; L361-L372 HydrophobicContact CB-CD2 4.12Å; L361-C516 HydrophobicContact CD1-CB 3.81Å; L361-L561 HydrophobicContact CD1-CD2 3.98Å; L361-L561 HydrophobicContact CD2-CD2 3.71Å; L361-L561 HydrophobicContact CG-CD2 4.34Å; L361-A862 PolarHBondContact N-O 2.88Å; L361-L865 HydrophobicContact CD2-CB 4.08Å; L361-G866 WeakPolarHBondContact O-CA 3.21Å
362	C	98.2	Very high	97	Very high	23 Å²	23	13 Å²	13	16%	0.155	9%	0.087	C	C	.	.	H	α-helix	trans	-60.7	-46.3	178	-69.6	0	0	0	0	111.9	S358 T359 G360 G364 A365 A366 L372 T374	S358-C362 PolarHBondContact O-N 3.21Å; S358-C362 PolarHBondContact O-SG 2.65Å; S358-C362 VanDerWaalsContact O-SG 3.33Å; T359-C362 PolarHBondContact O-N 2.89Å; G360-C362 PolarHBondContact O-N 3.45Å; C362-G364 VanDerWaalsContact C-N 3.29Å; C362-G364 PolarHBondContact O-N 3.38Å; C362-A365 PolarHBondContact O-N 2.76Å; C362-A366 WeakPolarHBondContact O-CB 3.15Å; C362-A366 PolarHBondContact O-N 2.76Å; C362-L372 PolarHBondContact SG-O 2.86Å; C362-T374 PolarHBondContact SG-OG1 2.9Å
363	L	96.7	Very high	96.9	Very high	3 Å²	3	15.2 Å²	15.2	2%	0.016	10%	0.096	C	C	.	.	H	α-helix	trans	-63	-36.6	177.1	-59.8	176.1	0	0	0	112.1	T359 G360 M702 D704 V859 R863	T359-L363 HydrophobicContact CG2-CD1 4.02Å; T359-L363 HydrophobicContact CG2-CG 4.41Å; T359-L363 VanDerWaalsContact O-CG 3.26Å; T359-L363 WeakPolarHBondContact O-CG 3.25Å; T359-L363 PolarHBondContact O-N 2.66Å; T359-L363 VanDerWaalsContact O-N 3.08Å; G360-L363 PolarHBondContact O-N 3.07Å; L363-M702 HydrophobicContact CD2-CB 4.39Å; L363-M702 WeakPolarHBondContact CD2-O 3.12Å; L363-D704 HydrophobicContact CD2-CB 3.64Å; L363-V859 HydrophobicContact CD1-CG1 4.39Å; L363-R863 HydrophobicContact CB-CG 4.24Å
364	G	96.7	Very high	97	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-67.5	-48	177.1	0	0	0	0	0	112.5	G360 L361 C362 A366 L367 R863 G866 Y867	G360-G364 PolarHBondContact O-N 2.91Å; L361-G364 PolarHBondContact O-N 3.48Å; C362-G364 VanDerWaalsContact C-N 3.29Å; C362-G364 PolarHBondContact O-N 3.38Å; G364-A366 VanDerWaalsContact C-N 3.3Å; G364-A366 PolarHBondContact O-N 2.75Å; G364-L367 WeakPolarHBondContact O-CB 3.48Å; G364-L367 PolarHBondContact O-N 3.38Å; G364-R863 WeakPolarHBondContact CA-O 3.18Å; G364-G866 VanDerWaalsContact C-C 3.41Å; G364-Y867 WeakPolarHBondContact O-CA 3.29Å
365	A	96.8	Very high	97	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.5	-37.9	178.9	0	0	0	0	0	111.9	L361 C362 L367 S368 G369 L370 L372 G866	L361-A365 WeakPolarHBondContact O-CB 3.35Å; L361-A365 PolarHBondContact O-N 3.33Å; C362-A365 PolarHBondContact O-N 2.76Å; A365-L367 VanDerWaalsContact C-N 3.27Å; A365-L367 PolarHBondContact O-N 3.4Å; A365-S368 CarbonylContact O-C 3.58Å; A365-S368 WeakPolarHBondContact O-CA 3.1Å; A365-S368 WeakPolarHBondContact O-CB 3.46Å; A365-S368 PolarHBondContact O-N 2.92Å; A365-G369 PolarHBondContact O-N 2.81Å; A365-L370 CarbonylContact C-O 3.53Å; A365-L370 HydrophobicContact CB-CB 4.2Å; A365-L370 HydrophobicContact CB-CD2 4.19Å; A365-L370 HydrophobicContact CB-CG 4.44Å; A365-L370 PolarHBondContact O-N 3.11Å; A365-L372 HydrophobicContact CB-CB 3.58Å; A365-L372 HydrophobicContact CB-CD2 4.05Å; A365-L372 HydrophobicContact CB-CG 4.48Å; A365-G866 WeakPolarHBondContact CA-O 2.94Å; A365-G866 PolarHBondContact N-O 3.47Å
366	A	94.9	Very high	97	Very high	22 Å²	22	18.3 Å²	18.3	18%	0.182	10%	0.104	C	C	.	.	H	α-helix	trans	-58.5	-38.3	176.3	0	0	0	0	0	112.3	C362 G364 S368 G369 L370 L703	C362-A366 WeakPolarHBondContact O-CB 3.15Å; C362-A366 PolarHBondContact O-N 2.76Å; G364-A366 VanDerWaalsContact C-N 3.3Å; G364-A366 PolarHBondContact O-N 2.75Å; A366-S368 PolarHBondContact O-N 2.66Å; A366-G369 PolarHBondContact O-N 2.97Å; A366-L370 WeakPolarHBondContact CA-O 3.07Å; A366-L370 PolarHBondContact N-O 3.4Å; A366-L703 HydrophobicContact CB-CB 3.9Å; A366-L703 HydrophobicContact CB-CD1 4.32Å
367	L	93.1	Very high	97	Very high	48 Å²	48	18.3 Å²	18.3	25%	0.251	10%	0.104	S	C	.	.	H	α-helix	trans	-67.8	-24.2	175.8	-67.3	159.2	0	0	0	113.4	G364 A365 G369 L703 R863 Y867 F890 V893	G364-L367 WeakPolarHBondContact O-CB 3.48Å; G364-L367 PolarHBondContact O-N 3.38Å; A365-L367 VanDerWaalsContact C-N 3.27Å; A365-L367 PolarHBondContact O-N 3.4Å; L367-G369 VanDerWaalsContact C-N 3.31Å; L367-L703 HydrophobicContact CD2-CD1 3.61Å; L367-L703 HydrophobicContact CG-CD1 4.04Å; L367-R863 HydrophobicContact CD1-CG 4.41Å; L367-Y867 HydrophobicContact CB-CD2 3.81Å; L367-Y867 HydrophobicContact CB-CE2 4.18Å; L367-F890 HydrophobicContact CD1-CD2 3.79Å; L367-F890 HydrophobicContact CD1-CE2 3.89Å; L367-V893 HydrophobicContact CD2-CG2 4.23Å
368	S	92.8	Very high	97	Very high	11 Å²	11	17.8 Å²	17.8	8%	0.077	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-2.3	173.2	-54.2	0	0	0	0	112.8	A365 A366 Y867 L874	A365-S368 CarbonylContact O-C 3.58Å; A365-S368 WeakPolarHBondContact O-CA 3.1Å; A365-S368 WeakPolarHBondContact O-CB 3.46Å; A365-S368 PolarHBondContact O-N 2.92Å; A366-S368 PolarHBondContact O-N 2.66Å; S368-Y867 VanDerWaalsContact OG-CA 3.31Å; S368-Y867 WeakPolarHBondContact OG-CA 3.47Å; S368-Y867 WeakPolarHBondContact OG-CD2 3.46Å; S368-Y867 WeakPolarHBondContact OG-CE2 3.3Å; S368-Y867 PolarHBondContact OG-O 3.12Å; S368-L874 WeakPolarHBondContact O-CD1 3.49Å
369	G	93.7	Very high	97	Very high	46 Å²	46	18.9 Å²	18.9	47%	0.474	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	11	-175.8	0	0	0	0	0	114.9	A365 A366 L367	A365-G369 PolarHBondContact O-N 2.81Å; A366-G369 PolarHBondContact O-N 2.97Å; L367-G369 VanDerWaalsContact C-N 3.31Å
370	L	96	Very high	96.9	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	14%	0.138	C	C	.	.			trans	-98.5	123.2	174.1	179.3	72.3	0	0	0	110.4	R343 A345 A365 A366 L372 Y873 L874	R343-L370 HydrophobicContact CB-CD1 4.17Å; R343-L370 WeakPolarHBondContact O-CD1 3.33Å; A345-L370 HydrophobicContact CB-CD1 4.05Å; A345-L370 HydrophobicContact CB-CD2 4.24Å; A345-L370 HydrophobicContact CB-CG 4.4Å; A365-L370 CarbonylContact C-O 3.53Å; A365-L370 HydrophobicContact CB-CB 4.2Å; A365-L370 HydrophobicContact CB-CD2 4.19Å; A365-L370 HydrophobicContact CB-CG 4.44Å; A365-L370 PolarHBondContact O-N 3.11Å; A366-L370 WeakPolarHBondContact CA-O 3.07Å; A366-L370 PolarHBondContact N-O 3.4Å; L370-L372 VanDerWaalsContact C-N 3.32Å; L370-L372 HydrophobicContact CD2-CB 4.33Å; L370-L372 HydrophobicContact CG-CB 4.49Å; L370-L372 PolarHBondContact O-N 3.47Å; L370-Y873 HydrophobicContact CD1-CD1 3.56Å; L370-Y873 HydrophobicContact CD1-CE1 3.91Å; L370-Y873 HydrophobicContact CD1-CG 4.12Å; L370-Y873 HydrophobicContact CD2-CD1 4.17Å; L370-Y873 HydrophobicContact CD2-CD2 4.3Å; L370-Y873 HydrophobicContact CD2-CG 3.86Å; L370-L874 HydrophobicContact CB-CD1 4.44Å; L370-L874 HydrophobicContact CB-CG 4.48Å; L370-L874 HydrophobicContact CD1-CD2 4.27Å
371	K	96.8	Very high	96.8	Very high	69 Å²	69	26.7 Å²	26.7	30%	0.3	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	80.7	171.2	-164.8	-173.9	-167	-146.3	0	110	R343 T344 A345 E373	R343-K371 PolarHBondContact O-N 2.69Å; T344-K371 CarbonylContact C-O 3.59Å; T344-K371 VanDerWaalsContact CA-O 3.3Å; T344-K371 WeakPolarHBondContact CA-O 3.07Å; T344-K371 HydrophobicContact CG2-CD 4.44Å; A345-K371 PolarHBondContact N-O 3.16Å; K371-E373 WeakPolarHBondContact CD-OE1 2.8Å; K371-E373 WeakPolarHBondContact CE-OE1 3.25Å; K371-E373 HydrophobicContact CG-CG 4.29Å; K371-E373 IonicContact NZ-OE1 2.66Å; K371-E373 PolarHBondContact NZ-OE1 3.46Å
372	L	97.8	Very high	96.7	Very high	9 Å²	9	29.4 Å²	29.4	5%	0.047	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	122.7	174.2	-174.8	69.6	0	0	0	109.5	A345 L347 L361 C362 A365 L370 V514 L869	A345-L372 HydrophobicContact CB-CD1 3.81Å; A345-L372 WeakPolarHBondContact O-CA 3.45Å; L347-L372 HydrophobicContact CB-CD1 4.06Å; L347-L372 HydrophobicContact CB-CG 4.25Å; L347-L372 HydrophobicContact CD2-CD2 4.29Å; L361-L372 HydrophobicContact CB-CD2 4.12Å; C362-L372 PolarHBondContact SG-O 2.86Å; A365-L372 HydrophobicContact CB-CB 3.58Å; A365-L372 HydrophobicContact CB-CD2 4.05Å; A365-L372 HydrophobicContact CB-CG 4.48Å; L370-L372 VanDerWaalsContact C-N 3.32Å; L370-L372 HydrophobicContact CD2-CB 4.33Å; L370-L372 HydrophobicContact CG-CB 4.49Å; L370-L372 PolarHBondContact O-N 3.47Å; L372-V514 HydrophobicContact CD1-CB 4.49Å; L372-V514 HydrophobicContact CD1-CG2 3.92Å; L372-L869 HydrophobicContact CD2-CD2 3.92Å
373	E	96.8	Very high	96.7	Very high	57 Å²	57	31.4 Å²	31.4	27%	0.266	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.5	-178.3	-64	178.4	172.9	0	0	110.7	A345 L347 K371 R375	A345-E373 PolarHBondContact O-N 2.84Å; L347-E373 WeakPolarHBondContact CB-O 3.29Å; L347-E373 PolarHBondContact N-O 2.92Å; K371-E373 WeakPolarHBondContact CD-OE1 2.8Å; K371-E373 WeakPolarHBondContact CE-OE1 3.25Å; K371-E373 HydrophobicContact CG-CG 4.29Å; K371-E373 IonicContact NZ-OE1 2.66Å; K371-E373 PolarHBondContact NZ-OE1 3.46Å; E373-R375 HydrophobicContact CB-CG 4.48Å; E373-R375 PolarHBondContact O-N 3.16Å
374	T	98.4	Very high	96.8	Very high	11 Å²	11	31.4 Å²	31.4	7%	0.067	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	102.4	169.5	-50.7	0	0	0	0	108.5	D349 S358 C362 T395	D349-T374 HydrophobicContact CB-CG2 4.24Å; S358-T374 WeakPolarHBondContact CB-OG1 3.03Å; C362-T374 PolarHBondContact SG-OG1 2.9Å; T374-T395 HydrophobicContact CG2-CG2 3.87Å; T374-T395 WeakPolarHBondContact O-CB 3.46Å; T374-T395 WeakPolarHBondContact O-CG2 3.27Å; T374-T395 PolarHBondContact O-OG1 3.24Å
375	R	98.3	Very high	96.9	Very high	71 Å²	71	31.9 Å²	31.9	27%	0.268	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-35.1	-176	-71.9	-61.1	-60.4	-109.1	-4.9	112.1	T346 L347 E373 E396 R503	T346-R375 HydrophobicContact CG2-CG 3.83Å; L347-R375 PolarHBondContact O-N 2.98Å; E373-R375 HydrophobicContact CB-CG 4.48Å; E373-R375 PolarHBondContact O-N 3.16Å; R375-E396 PolarHBondContact O-N 3.14Å; R375-R503 PolarHBondContact NH2-O 2.72Å; R375-R503 VanDerWaalsContact NH2-O 3.11Å
376	W	98.8	Very high	97	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	141.8	179.4	-49.2	-83	0	0	0	109.4	L347 L348 D349 E396 K504 I505 P507 D511 V512	L347-W376 PolarHBondContact O-N 3.39Å; L348-W376 WeakPolarHBondContact CA-O 3.21Å; L348-W376 HydrophobicContact CB-CE3 4.27Å; L348-W376 HydrophobicContact CD1-CB 3.54Å; D349-W376 PolarHBondContact N-O 2.9Å; W376-E396 WeakPolarHBondContact CA-O 3.27Å; W376-K504 HydrophobicContact CZ2-CB 4.04Å; W376-K504 WeakPolarHBondContact CZ2-O 3.34Å; W376-K504 PolarHBondContact NE1-O 3.06Å; W376-I505 PolarHBondContact NE1-O 2.86Å; W376-P507 HydrophobicContact CD2-CB 4.23Å; W376-P507 HydrophobicContact CD2-CG 4.16Å; W376-P507 HydrophobicContact CE3-CB 4.29Å; W376-P507 HydrophobicContact CE3-CG 4.45Å; W376-P507 HydrophobicContact CG-CG 4.46Å; W376-P507 HydrophobicContact CH2-CB 4.07Å; W376-P507 HydrophobicContact CZ2-CB 3.99Å; W376-P507 HydrophobicContact CZ3-CB 4.23Å; W376-D511 HydrophobicContact CH2-CB 4.25Å; W376-V512 HydrophobicContact CE3-CG2 4.11Å; W376-V512 HydrophobicContact CH2-CG2 4.34Å; W376-V512 HydrophobicContact CZ3-CB 4.42Å; W376-V512 HydrophobicContact CZ3-CG2 3.69Å
377	A	98.8	Very high	97.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	139	173.2	0	0	0	0	0	109.8	D349 L388 T395 E396 V397 R398	D349-A377 HydrophobicContact CB-CB 4.41Å; D349-A377 CarbonylContact O-C 2.95Å; D349-A377 VanDerWaalsContact O-CA 3.31Å; D349-A377 WeakPolarHBondContact O-CA 3.31Å; A377-L388 HydrophobicContact CB-CD1 3.84Å; A377-L388 HydrophobicContact CB-CD2 3.92Å; A377-T395 HydrophobicContact CB-CG2 3.93Å; A377-E396 PolarHBondContact N-O 2.92Å; A377-V397 HydrophobicContact CB-CG2 4.44Å; A377-R398 PolarHBondContact O-N 3.35Å
378	V	98.7	Very high	97.4	Very high	2 Å²	2	33 Å²	33	1%	0.012	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	120.1	-177.3	-175.2	0	0	0	0	109.6	L348 D349 L350 Y351 S352 R398 E400 F405	L348-V378 HydrophobicContact CD1-CG2 4.31Å; D349-V378 PolarHBondContact O-N 3.37Å; L350-V378 HydrophobicContact CD2-CB 4.2Å; L350-V378 HydrophobicContact CD2-CG2 4.15Å; Y351-V378 WeakPolarHBondContact CA-O 2.97Å; Y351-V378 PolarHBondContact N-O 3.44Å; S352-V378 PolarHBondContact N-O 2.83Å; V378-R398 HydrophobicContact CG2-CB 4.48Å; V378-E400 HydrophobicContact CG1-CG 4.33Å; V378-F405 HydrophobicContact CG1-CB 4.07Å; V378-F405 HydrophobicContact CG1-CG 4.33Å; V378-F405 HydrophobicContact CG2-CB 4.4Å; V378-F405 HydrophobicContact CG2-CD1 3.73Å; V378-F405 HydrophobicContact CG2-CD2 3.93Å; V378-F405 HydrophobicContact CG2-CE1 3.84Å; V378-F405 HydrophobicContact CG2-CE2 4.04Å; V378-F405 HydrophobicContact CG2-CG 3.76Å; V378-F405 HydrophobicContact CG2-CZ 3.98Å
379	D	98.4	Very high	97.7	Very high	22 Å²	22	36.4 Å²	36.4	12%	0.118	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	145.8	173.2	-161.3	-71.8	0	0	0	111.1	G353 N381 C385 R398 N399 E400	G353-D379 WeakPolarHBondContact CA-OD2 2.93Å; G353-D379 PolarHBondContact N-OD2 2.64Å; D379-N381 WeakPolarHBondContact OD1-CB 3.31Å; D379-N381 PolarHBondContact OD1-N 2.66Å; D379-C385 PolarHBondContact O-SG 3.1Å; D379-R398 PolarHBondContact N-O 2.68Å; D379-R398 VanDerWaalsContact N-O 3.13Å; D379-N399 CarbonylContact O-C 3.59Å; D379-N399 WeakPolarHBondContact O-CA 3.36Å; D379-N399 PolarHBondContact O-ND2 2.88Å; D379-N399 VanDerWaalsContact O-ND2 3.07Å; D379-E400 CarbonylContact C-O 3.51Å; D379-E400 PolarHBondContact O-N 3.12Å; D379-E400 VanDerWaalsContact O-N 3.17Å
380	L	95.6	Very high	97.9	Very high	124 Å²	124	37.2 Å²	37.2	65%	0.649	18%	0.18	S	C	*	.	S	Bend	trans	-83.1	-17.3	-179.5	74.3	93.8	0	0	0	113.2	N399	L380-N399 PolarHBondContact O-ND2 2.69Å
381	N	96.5	Very high	98	Very high	42 Å²	42	37.1 Å²	37.1	23%	0.225	18%	0.179	C	C	.	.			trans	-89	114.9	-179.4	-176.3	-63.5	0	0	0	110.9	D379 F383 A384 C385 E848	D379-N381 WeakPolarHBondContact OD1-CB 3.31Å; D379-N381 PolarHBondContact OD1-N 2.66Å; N381-F383 VanDerWaalsContact C-N 3.28Å; N381-F383 PolarHBondContact O-N 2.68Å; N381-F383 WeakPolarHBondContact OD1-CA 3.31Å; N381-F383 WeakPolarHBondContact OD1-CB 3.21Å; N381-F383 PolarHBondContact OD1-N 2.8Å; N381-A384 HydrophobicContact CB-CB 3.91Å; N381-A384 WeakPolarHBondContact O-CB 2.84Å; N381-A384 PolarHBondContact O-N 2.73Å; N381-A384 PolarHBondContact OD1-N 3.39Å; N381-C385 PolarHBondContact O-N 2.7Å; N381-C385 PolarHBondContact O-SG 3.35Å; N381-C385 VanDerWaalsContact O-SG 3.35Å; N381-E848 PolarHBondContact ND2-OE2 2.85Å
382	S	97.6	Very high	98.1	Very high	57 Å²	57	34.3 Å²	34.3	40%	0.399	17%	0.167	S	C	.	.	H	α-helix	trans	-59.8	-34.2	-176.9	58.9	0	0	0	0	113.9	Q386 N399	S382-Q386 WeakPolarHBondContact O-CB 3.02Å; S382-Q386 PolarHBondContact O-N 2.98Å; S382-N399 WeakPolarHBondContact CB-OD1 3.14Å; S382-N399 PolarHBondContact N-ND2 2.86Å
383	F	98.5	Very high	98	Very high	65 Å²	65	35.8 Å²	35.8	29%	0.285	18%	0.177	S	C	.	.	H	α-helix	trans	-74.7	-36.8	-179.9	-56.1	-63	0	0	0	111.9	N381 Q386 S387 P845 E848	N381-F383 VanDerWaalsContact C-N 3.28Å; N381-F383 PolarHBondContact O-N 2.68Å; N381-F383 WeakPolarHBondContact OD1-CA 3.31Å; N381-F383 WeakPolarHBondContact OD1-CB 3.21Å; N381-F383 PolarHBondContact OD1-N 2.8Å; F383-Q386 PolarHBondContact O-N 2.98Å; F383-S387 PolarHBondContact O-N 3.08Å; F383-S387 PolarHBondContact O-OG 2.82Å; F383-S387 VanDerWaalsContact O-OG 3.13Å; F383-P845 HydrophobicContact CE2-CG 4.3Å; F383-P845 VanDerWaalsContact CZ-CD 3.49Å; F383-P845 HydrophobicContact CZ-CG 4.1Å; F383-E848 HydrophobicContact CB-CB 4.38Å; F383-E848 HydrophobicContact CD2-CB 3.95Å; F383-E848 HydrophobicContact CD2-CG 3.58Å; F383-E848 HydrophobicContact CE2-CG 3.9Å; F383-E848 HydrophobicContact CG-CB 4.35Å; F383-E848 HydrophobicContact CG-CG 4.44Å
384	A	98.5	Very high	97.9	Very high	3 Å²	3	40.4 Å²	40.4	3%	0.025	20%	0.199	C	C	.	.	H	α-helix	trans	-62.3	-46.2	172.1	0	0	0	0	0	110.8	N381 Q386 S387 L388 Q852	N381-A384 HydrophobicContact CB-CB 3.91Å; N381-A384 WeakPolarHBondContact O-CB 2.84Å; N381-A384 PolarHBondContact O-N 2.73Å; N381-A384 PolarHBondContact OD1-N 3.39Å; A384-Q386 VanDerWaalsContact C-N 3.34Å; A384-Q386 PolarHBondContact O-N 3.09Å; A384-S387 PolarHBondContact O-N 3.23Å; A384-L388 PolarHBondContact O-N 3.46Å; A384-Q852 HydrophobicContact CB-CG 4.16Å
385	C	98.6	Very high	97.9	Very high	10 Å²	10	40.2 Å²	40.2	7%	0.068	20%	0.198	C	C	.	.	H	α-helix	trans	-58.2	-43.8	172.4	-64.4	0	0	0	0	112.3	D379 N381 S387 L388 K389 V397 N399	D379-C385 PolarHBondContact O-SG 3.1Å; N381-C385 PolarHBondContact O-N 2.7Å; N381-C385 PolarHBondContact O-SG 3.35Å; N381-C385 VanDerWaalsContact O-SG 3.35Å; C385-S387 PolarHBondContact O-N 3.21Å; C385-L388 PolarHBondContact O-N 3.18Å; C385-K389 WeakPolarHBondContact O-CB 3.28Å; C385-K389 PolarHBondContact O-N 3.46Å; C385-V397 HydrophobicContact CB-CG1 3.64Å; C385-N399 HydrophobicContact CB-CB 4.31Å
386	Q	98.5	Very high	97.9	Very high	94 Å²	94	40.5 Å²	40.5	44%	0.439	20%	0.202	S	C	.	.	H	α-helix	trans	-61.4	-44.5	178.9	-172.2	178.6	14.3	0	0	111.8	S382 F383 A384 Y390 F843	S382-Q386 WeakPolarHBondContact O-CB 3.02Å; S382-Q386 PolarHBondContact O-N 2.98Å; F383-Q386 PolarHBondContact O-N 2.98Å; A384-Q386 VanDerWaalsContact C-N 3.34Å; A384-Q386 PolarHBondContact O-N 3.09Å; Q386-Y390 WeakPolarHBondContact O-CB 2.94Å; Q386-Y390 PolarHBondContact O-N 2.92Å; Q386-F843 HydrophobicContact CB-CB 4.12Å; Q386-F843 HydrophobicContact CG-CB 3.77Å; Q386-F843 HydrophobicContact CG-CD1 4.16Å; Q386-F843 HydrophobicContact CG-CD2 4.4Å; Q386-F843 HydrophobicContact CG-CG 3.86Å
387	S	98.7	Very high	97.9	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.7	-47	174.5	-60.6	0	0	0	0	112.2	F383 A384 C385 Y390 N391 L842 F843 Q852	F383-S387 PolarHBondContact O-N 3.08Å; F383-S387 PolarHBondContact O-OG 2.82Å; F383-S387 VanDerWaalsContact O-OG 3.13Å; A384-S387 PolarHBondContact O-N 3.23Å; C385-S387 PolarHBondContact O-N 3.21Å; S387-Y390 PolarHBondContact O-N 3.41Å; S387-N391 PolarHBondContact O-N 2.87Å; S387-N391 VanDerWaalsContact O-N 3.16Å; S387-N391 PolarHBondContact O-ND2 3.18Å; S387-L842 WeakPolarHBondContact OG-CA 3.28Å; S387-F843 PolarHBondContact OG-N 3.37Å; S387-Q852 VanDerWaalsContact CB-OE1 3.27Å; S387-Q852 PolarHBondContact OG-OE1 3.07Å
388	L	98.6	Very high	97.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.5	-47.9	-179.2	-163	157.8	0	0	0	110.8	S352 A377 A384 C385 Y390 N391 H392 T395 V397	S352-L388 WeakPolarHBondContact OG-CD1 3.31Å; A377-L388 HydrophobicContact CB-CD1 3.84Å; A377-L388 HydrophobicContact CB-CD2 3.92Å; A384-L388 PolarHBondContact O-N 3.46Å; C385-L388 PolarHBondContact O-N 3.18Å; L388-Y390 VanDerWaalsContact C-N 3.29Å; L388-Y390 PolarHBondContact O-N 3Å; L388-N391 PolarHBondContact O-N 3.48Å; L388-H392 HydrophobicContact CD2-CB 4.3Å; L388-H392 WeakPolarHBondContact O-CB 3.48Å; L388-H392 PolarHBondContact O-N 2.9Å; L388-T395 HydrophobicContact CD2-CG2 4.03Å; L388-V397 HydrophobicContact CD2-CG2 3.48Å; L388-V397 VanDerWaalsContact CD2-CG2 3.48Å
389	K	98.3	Very high	97.7	Very high	82 Å²	82	47.4 Å²	47.4	36%	0.357	24%	0.238	S	C	.	.	H	α-helix	trans	-62	-35.6	179.4	-174.3	59.1	168.6	179.2	0	112.4	C385 H392 P393 T395 V397	C385-K389 WeakPolarHBondContact O-CB 3.28Å; C385-K389 PolarHBondContact O-N 3.46Å; K389-H392 CarbonylContact O-C 3.14Å; K389-P393 WeakPolarHBondContact CE-O 3.16Å; K389-P393 PolarHBondContact NZ-O 2.84Å; K389-P393 VanDerWaalsContact O-CA 3.32Å; K389-P393 WeakPolarHBondContact O-CA 3.41Å; K389-T395 WeakPolarHBondContact CD-O 3.36Å; K389-T395 PolarHBondContact NZ-O 3.48Å; K389-V397 HydrophobicContact CB-CB 4.15Å; K389-V397 HydrophobicContact CB-CG2 3.84Å; K389-V397 HydrophobicContact CD-CB 4.34Å; K389-V397 HydrophobicContact CD-CG2 3.88Å; K389-V397 HydrophobicContact CG-CG2 4.43Å
390	Y	98.1	Very high	97.6	Very high	62 Å²	62	47.2 Å²	47.2	24%	0.243	24%	0.236	C	C	.	.	H	α-helix	trans	-65	-45.4	175.5	-177.5	-91.6	0	0	0	111.9	Q386 S387 L388 F707 P713 D714 R841 F843	Q386-Y390 WeakPolarHBondContact O-CB 2.94Å; Q386-Y390 PolarHBondContact O-N 2.92Å; S387-Y390 PolarHBondContact O-N 3.41Å; L388-Y390 VanDerWaalsContact C-N 3.29Å; L388-Y390 PolarHBondContact O-N 3Å; Y390-F707 VanDerWaalsContact O-CZ 3.27Å; Y390-F707 WeakPolarHBondContact O-CZ 3.5Å; Y390-P713 HydrophobicContact CE1-CG 3.76Å; Y390-P713 HydrophobicContact CE2-CG 4.44Å; Y390-P713 VanDerWaalsContact OH-CB 3.29Å; Y390-P713 WeakPolarHBondContact OH-CB 3.38Å; Y390-P713 VanDerWaalsContact OH-CG 3.28Å; Y390-P713 WeakPolarHBondContact OH-CG 3.46Å; Y390-D714 PolarHBondContact OH-OD2 2.9Å; Y390-R841 HydrophobicContact CD1-CB 3.73Å; Y390-R841 HydrophobicContact CD1-CG 4.4Å; Y390-R841 HydrophobicContact CE1-CB 3.64Å; Y390-R841 VanDerWaalsContact CE1-CD 3.46Å; Y390-R841 HydrophobicContact CE1-CG 4.16Å; Y390-R841 PolarHBondContact OH-NH1 3.31Å; Y390-R841 VanDerWaalsContact OH-NH1 3.15Å; Y390-F843 AromaticContact CD1-CE2 3.76Å; Y390-F843 HydrophobicContact CD1-CE2 3.76Å; Y390-F843 HydrophobicContact CD1-CZ 4.24Å; Y390-F843 AromaticContact CD2-CE2 3.68Å; Y390-F843 HydrophobicContact CD2-CE2 3.68Å; Y390-F843 AromaticContact CD2-CZ 3.47Å; Y390-F843 HydrophobicContact CD2-CZ 3.47Å; Y390-F843 VanDerWaalsContact CD2-CZ 3.47Å; Y390-F843 HydrophobicContact CE1-CE2 4.36Å; Y390-F843 HydrophobicContact CE2-CE2 4.29Å; Y390-F843 AromaticContact CE2-CZ 3.8Å; Y390-F843 HydrophobicContact CE2-CZ 3.8Å; Y390-F843 HydrophobicContact CG-CD2 4.47Å; Y390-F843 AromaticContact CG-CE2 3.36Å; Y390-F843 HydrophobicContact CG-CE2 3.36Å; Y390-F843 AromaticContact CG-CZ 3.7Å; Y390-F843 HydrophobicContact CG-CZ 3.7Å
391	N	98.1	Very high	97.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-78.9	-22.2	-177.9	-68.4	-71	0	0	0	113	S387 L388 R699 S706 F707 Y840 R841	S387-N391 PolarHBondContact O-N 2.87Å; S387-N391 VanDerWaalsContact O-N 3.16Å; S387-N391 PolarHBondContact O-ND2 3.18Å; L388-N391 PolarHBondContact O-N 3.48Å; N391-R699 PolarHBondContact O-NH1 3.3Å; N391-R699 PolarHBondContact OD1-NH2 2.75Å; N391-R699 VanDerWaalsContact OD1-NH2 3.09Å; N391-S706 VanDerWaalsContact O-CB 3.27Å; N391-S706 WeakPolarHBondContact O-CB 3.45Å; N391-F707 WeakPolarHBondContact O-CE2 3.11Å; N391-Y840 HydrophobicContact CB-CD2 4.21Å; N391-Y840 HydrophobicContact CB-CE1 4.35Å; N391-Y840 HydrophobicContact CB-CE2 3.71Å; N391-Y840 WeakPolarHBondContact ND2-CE1 3.21Å; N391-R841 PolarHBondContact ND2-N 3.08Å; N391-R841 PolarHBondContact ND2-O 2.84Å; N391-R841 PolarHBondContact OD1-N 2.92Å; N391-R841 VanDerWaalsContact OD1-N 3.12Å
392	H	97.7	Very high	97.5	Very high	10 Å²	10	43.6 Å²	43.6	5%	0.046	21%	0.214	C	C	.	.			trans	-132.6	73.6	-178	-54.1	-69.1	0	0	0	110.5	T359 L388 K389 Q394 T395 S706 Y840	T359-H392 PolarHBondContact OG1-NE2 2.87Å; L388-H392 HydrophobicContact CD2-CB 4.3Å; L388-H392 WeakPolarHBondContact O-CB 3.48Å; L388-H392 PolarHBondContact O-N 2.9Å; K389-H392 CarbonylContact O-C 3.14Å; H392-Q394 PolarHBondContact O-N 3.45Å; H392-T395 WeakPolarHBondContact CB-OG1 3.47Å; H392-T395 WeakPolarHBondContact O-CB 3.24Å; H392-T395 PolarHBondContact O-N 2.89Å; H392-T395 VanDerWaalsContact O-N 3.09Å; H392-T395 PolarHBondContact O-OG1 2.85Å; H392-S706 PolarHBondContact CE1-OG 3.39Å; H392-S706 PolarHBondContact ND1-OG 3.25Å; H392-Y840 AromaticContact NE2-CE2 3.62Å; H392-Y840 AromaticContact NE2-CZ 3.93Å; H392-Y840 PolarHBondContact NE2-OH 3.41Å
393	P	96.8	Very high	97.4	Very high	40 Å²	40	44 Å²	44	26%	0.26	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-27.9	-171	23.7	-34.9	0	0	0	114	K389 T395 S706 F707	K389-P393 WeakPolarHBondContact CE-O 3.16Å; K389-P393 PolarHBondContact NZ-O 2.84Å; K389-P393 VanDerWaalsContact O-CA 3.32Å; K389-P393 WeakPolarHBondContact O-CA 3.41Å; P393-T395 VanDerWaalsContact C-N 3.34Å; P393-S706 WeakPolarHBondContact CG-O 3.44Å; P393-F707 HydrophobicContact CG-CD1 3.98Å; P393-F707 HydrophobicContact CG-CE1 3.81Å; P393-F707 HydrophobicContact CG-CE2 4.44Å; P393-F707 HydrophobicContact CG-CG 4.38Å; P393-F707 HydrophobicContact CG-CZ 4.06Å
394	Q	95.5	Very high	97.2	Very high	154 Å²	154	41.7 Å²	41.7	72%	0.72	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-11.4	179.6	-57.4	-57.3	-28.2	0	0	113.8	H392	H392-Q394 PolarHBondContact O-N 3.45Å
395	T	98.1	Very high	97.2	Very high	6 Å²	6	41.6 Å²	41.6	4%	0.037	20%	0.201	C	C	.	.	S	Bend	trans	-75	134.5	177.7	-54.5	0	0	0	0	110.4	T374 A377 L388 K389 H392 P393 V397	T374-T395 HydrophobicContact CG2-CG2 3.87Å; T374-T395 WeakPolarHBondContact O-CB 3.46Å; T374-T395 WeakPolarHBondContact O-CG2 3.27Å; T374-T395 PolarHBondContact O-OG1 3.24Å; A377-T395 HydrophobicContact CB-CG2 3.93Å; L388-T395 HydrophobicContact CD2-CG2 4.03Å; K389-T395 WeakPolarHBondContact CD-O 3.36Å; K389-T395 PolarHBondContact NZ-O 3.48Å; H392-T395 WeakPolarHBondContact CB-OG1 3.47Å; H392-T395 WeakPolarHBondContact O-CB 3.24Å; H392-T395 PolarHBondContact O-N 2.89Å; H392-T395 VanDerWaalsContact O-N 3.09Å; H392-T395 PolarHBondContact O-OG1 2.85Å; P393-T395 VanDerWaalsContact C-N 3.34Å; T395-V397 HydrophobicContact CG2-CG2 3.85Å; T395-V397 PolarHBondContact O-N 2.89Å; T395-V397 VanDerWaalsContact O-N 3.11Å
396	E	98.1	Very high	97.1	Very high	77 Å²	77	41.8 Å²	41.8	36%	0.36	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	92.7	168	-67.7	-60.9	158.4	0	0	109.3	R375 W376 A377	R375-E396 PolarHBondContact O-N 3.14Å; W376-E396 WeakPolarHBondContact CA-O 3.27Å; A377-E396 PolarHBondContact N-O 2.92Å
397	V	98.4	Very high	97	Very high	31 Å²	31	38.5 Å²	38.5	19%	0.188	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	117.2	-177.2	-172.8	0	0	0	0	109.7	A377 C385 L388 K389 T395	A377-V397 HydrophobicContact CB-CG2 4.44Å; C385-V397 HydrophobicContact CB-CG1 3.64Å; L388-V397 HydrophobicContact CD2-CG2 3.48Å; L388-V397 VanDerWaalsContact CD2-CG2 3.48Å; K389-V397 HydrophobicContact CB-CB 4.15Å; K389-V397 HydrophobicContact CB-CG2 3.84Å; K389-V397 HydrophobicContact CD-CB 4.34Å; K389-V397 HydrophobicContact CD-CG2 3.88Å; K389-V397 HydrophobicContact CG-CG2 4.43Å; T395-V397 HydrophobicContact CG2-CG2 3.85Å; T395-V397 PolarHBondContact O-N 2.89Å; T395-V397 VanDerWaalsContact O-N 3.11Å
398	R	97.6	Very high	97	Very high	31 Å²	31	38.5 Å²	38.5	12%	0.117	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	118.6	-173.3	-54.8	-170.5	61.7	71.9	16	110.2	A377 V378 D379 E400 L408 I453	A377-R398 PolarHBondContact O-N 3.35Å; V378-R398 HydrophobicContact CG2-CB 4.48Å; D379-R398 PolarHBondContact N-O 2.68Å; D379-R398 VanDerWaalsContact N-O 3.13Å; R398-E400 HydrophobicContact CB-CG 4.09Å; R398-E400 IonicContact CZ-OE1 3.09Å; R398-E400 IonicContact CZ-OE2 3.49Å; R398-E400 IonicContact NE-OE1 3.88Å; R398-E400 PolarHBondContact NE-OE1 3.21Å; R398-E400 IonicContact NE-OE2 2.95Å; R398-E400 IonicContact NH2-OE1 3.73Å; R398-E400 PolarHBondContact NH2-OE1 2.73Å; R398-E400 IonicContact NH2-OE2 2.77Å; R398-E400 PolarHBondContact NH2-OE2 2.92Å; R398-E400 PolarHBondContact O-N 2.97Å; R398-L408 VanDerWaalsContact CZ-CD2 3.46Å; R398-I453 PolarHBondContact NH1-O 3.17Å; R398-I453 PolarHBondContact NH2-O 3.47Å
399	N	96.2	Very high	96.9	Very high	85 Å²	85	38.5 Å²	38.5	46%	0.455	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	77.8	176.8	-175.9	-148	0	0	0	111.6	D379 L380 S382 C385	D379-N399 CarbonylContact O-C 3.59Å; D379-N399 WeakPolarHBondContact O-CA 3.36Å; D379-N399 PolarHBondContact O-ND2 2.88Å; D379-N399 VanDerWaalsContact O-ND2 3.07Å; L380-N399 PolarHBondContact O-ND2 2.69Å; S382-N399 WeakPolarHBondContact CB-OD1 3.14Å; S382-N399 PolarHBondContact N-ND2 2.86Å; C385-N399 HydrophobicContact CB-CB 4.31Å
400	E	94.8	Very high	96.9	Very high	19 Å²	19	39.5 Å²	39.5	9%	0.089	19%	0.194	C	C	.	.	S	Bend	trans	-155.6	171.2	-175.3	62.6	-169	-164.1	0	0	111.2	V378 D379 R398 F405	V378-E400 HydrophobicContact CG1-CG 4.33Å; D379-E400 CarbonylContact C-O 3.51Å; D379-E400 PolarHBondContact O-N 3.12Å; D379-E400 VanDerWaalsContact O-N 3.17Å; R398-E400 HydrophobicContact CB-CG 4.09Å; R398-E400 IonicContact CZ-OE1 3.09Å; R398-E400 IonicContact CZ-OE2 3.49Å; R398-E400 IonicContact NE-OE1 3.88Å; R398-E400 PolarHBondContact NE-OE1 3.21Å; R398-E400 IonicContact NE-OE2 2.95Å; R398-E400 IonicContact NH2-OE1 3.73Å; R398-E400 PolarHBondContact NH2-OE1 2.73Å; R398-E400 IonicContact NH2-OE2 2.77Å; R398-E400 PolarHBondContact NH2-OE2 2.92Å; R398-E400 PolarHBondContact O-N 2.97Å; E400-F405 HydrophobicContact CG-CB 4.38Å; E400-F405 WeakPolarHBondContact OE1-CB 3.23Å; E400-F405 VanDerWaalsContact OE1-CD2 3.31Å; E400-F405 WeakPolarHBondContact OE1-CD2 3.4Å
401	K	95	Very high	96.8	Very high	86 Å²	86	40.5 Å²	40.5	37%	0.374	20%	0.201	S	C	.	.			trans	-77.2	153	175.3	-61.1	178	179.6	177.1	0	111.4	D403 E404 F405	K401-D403 VanDerWaalsContact C-N 3.32Å; K401-D403 WeakPolarHBondContact CB-OD1 3.29Å; K401-D403 PolarHBondContact O-N 3.25Å; K401-E404 HydrophobicContact CB-CB 4.27Å; K401-E404 HydrophobicContact CB-CG 4.2Å; K401-E404 WeakPolarHBondContact CB-OE2 3.35Å; K401-E404 PolarHBondContact N-OE2 3.46Å; K401-E404 PolarHBondContact O-N 3.32Å; K401-F405 PolarHBondContact O-N 3.38Å
402	A	96.4	Very high	96.8	Very high	4 Å²	4	40.5 Å²	40.5	3%	0.033	20%	0.201	C	C	.	.	H	α-helix	trans	-64.6	-33.2	-179.9	0	0	0	0	0	113.5	Y351 F405 L406 T547 I551	Y351-A402 HydrophobicContact CE1-CB 3.6Å; Y351-A402 WeakPolarHBondContact OH-CB 3.26Å; A402-F405 PolarHBondContact O-N 2.92Å; A402-L406 PolarHBondContact O-N 3.05Å; A402-T547 HydrophobicContact CB-CG2 3.84Å; A402-I551 HydrophobicContact CB-CD1 4.13Å
403	D	94.6	Very high	96.7	Very high	65 Å²	65	41.4 Å²	41.4	35%	0.348	21%	0.21	S	C	.	.	H	α-helix	trans	-72.5	-38.4	176.2	61.6	-25.4	0	0	0	112.3	K401 L406 A407 T547	K401-D403 VanDerWaalsContact C-N 3.32Å; K401-D403 WeakPolarHBondContact CB-OD1 3.29Å; K401-D403 PolarHBondContact O-N 3.25Å; D403-L406 PolarHBondContact O-N 3.37Å; D403-A407 PolarHBondContact O-N 2.64Å; D403-T547 HydrophobicContact CB-CG2 4.03Å
404	E	95.3	Very high	96.7	Very high	17 Å²	17	43.4 Å²	43.4	8%	0.079	22%	0.221	C	C	.	.	H	α-helix	trans	-62.3	-42.4	169.8	-70.4	172.5	158.4	0	0	111.1	K401 A407 L408 G457 T458	K401-E404 HydrophobicContact CB-CB 4.27Å; K401-E404 HydrophobicContact CB-CG 4.2Å; K401-E404 WeakPolarHBondContact CB-OE2 3.35Å; K401-E404 PolarHBondContact N-OE2 3.46Å; K401-E404 PolarHBondContact O-N 3.32Å; E404-A407 PolarHBondContact O-N 2.89Å; E404-L408 WeakPolarHBondContact O-CB 3.14Å; E404-L408 PolarHBondContact O-N 2.96Å; E404-G457 WeakPolarHBondContact OE1-CA 3.35Å; E404-G457 PolarHBondContact OE1-N 3.16Å; E404-T458 PolarHBondContact OE1-OG1 3.04Å
405	F	97.5	Very high	96.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.7	-46.1	172.8	177.2	-113.3	0	0	0	111.8	L348 L350 V378 E400 K401 A402 A407 L408 L409 L506 P507 I551	L348-F405 HydrophobicContact CD1-CE1 4.07Å; L348-F405 HydrophobicContact CD1-CZ 4.07Å; L348-F405 HydrophobicContact CD2-CE1 4.11Å; L350-F405 HydrophobicContact CD2-CD1 4.27Å; L350-F405 HydrophobicContact CD2-CE1 4.28Å; V378-F405 HydrophobicContact CG1-CB 4.07Å; V378-F405 HydrophobicContact CG1-CG 4.33Å; V378-F405 HydrophobicContact CG2-CB 4.4Å; V378-F405 HydrophobicContact CG2-CD1 3.73Å; V378-F405 HydrophobicContact CG2-CD2 3.93Å; V378-F405 HydrophobicContact CG2-CE1 3.84Å; V378-F405 HydrophobicContact CG2-CE2 4.04Å; V378-F405 HydrophobicContact CG2-CG 3.76Å; V378-F405 HydrophobicContact CG2-CZ 3.98Å; E400-F405 HydrophobicContact CG-CB 4.38Å; E400-F405 WeakPolarHBondContact OE1-CB 3.23Å; E400-F405 VanDerWaalsContact OE1-CD2 3.31Å; E400-F405 WeakPolarHBondContact OE1-CD2 3.4Å; K401-F405 PolarHBondContact O-N 3.38Å; A402-F405 PolarHBondContact O-N 2.92Å; F405-A407 VanDerWaalsContact C-N 3.33Å; F405-A407 PolarHBondContact O-N 2.87Å; F405-L408 WeakPolarHBondContact O-CB 3.48Å; F405-L408 PolarHBondContact O-N 3.11Å; F405-L408 VanDerWaalsContact O-N 3.15Å; F405-L409 HydrophobicContact CD1-CD1 4.1Å; F405-L409 HydrophobicContact CD1-CG 4.34Å; F405-L409 HydrophobicContact CD2-CD2 4.38Å; F405-L409 HydrophobicContact CD2-CG 4.43Å; F405-L409 HydrophobicContact CE1-CD1 3.6Å; F405-L409 HydrophobicContact CE1-CD2 4.3Å; F405-L409 HydrophobicContact CE1-CG 4.06Å; F405-L409 HydrophobicContact CE2-CD2 3.73Å; F405-L409 HydrophobicContact CE2-CG 4.15Å; F405-L409 HydrophobicContact CZ-CD1 3.85Å; F405-L409 HydrophobicContact CZ-CD2 3.7Å; F405-L409 HydrophobicContact CZ-CG 3.97Å; F405-L409 WeakPolarHBondContact O-CG 3.23Å; F405-L409 PolarHBondContact O-N 3.03Å; F405-L506 HydrophobicContact CD2-CD2 4.46Å; F405-L506 HydrophobicContact CE2-CD2 3.79Å; F405-P507 HydrophobicContact CZ-CG 4.13Å; F405-I551 HydrophobicContact CD1-CD1 4.46Å
406	L	97.4	Very high	96.5	Very high	14 Å²	14	36.5 Å²	36.5	7%	0.073	19%	0.189	C	C	.	.	H	α-helix	trans	-59.3	-43.1	176.1	178.5	58.5	0	0	0	112.1	A402 D403 L408 L409 K410 D550 I551 Y554	A402-L406 PolarHBondContact O-N 3.05Å; D403-L406 PolarHBondContact O-N 3.37Å; L406-L408 VanDerWaalsContact C-N 3.34Å; L406-L409 PolarHBondContact O-N 2.92Å; L406-K410 PolarHBondContact O-N 2.79Å; L406-D550 HydrophobicContact CD2-CB 3.69Å; L406-I551 HydrophobicContact CB-CD1 4.46Å; L406-I551 HydrophobicContact CB-CG1 3.9Å; L406-I551 HydrophobicContact CD1-CG1 4.02Å; L406-I551 HydrophobicContact CD2-CG1 4.23Å; L406-I551 HydrophobicContact CG-CG1 4.26Å; L406-Y554 HydrophobicContact CD1-CD1 4.21Å; L406-Y554 HydrophobicContact CD1-CG 4.09Å
407	A	96.4	Very high	96.2	Very high	25 Å²	25	38.5 Å²	38.5	21%	0.207	20%	0.199	C	C	.	.	H	α-helix	trans	-62.2	-42.9	175.1	0	0	0	0	0	111.5	D403 E404 F405 L409 K410 E411 Y455	D403-A407 PolarHBondContact O-N 2.64Å; E404-A407 PolarHBondContact O-N 2.89Å; F405-A407 VanDerWaalsContact C-N 3.33Å; F405-A407 PolarHBondContact O-N 2.87Å; A407-L409 VanDerWaalsContact C-N 3.33Å; A407-L409 PolarHBondContact O-N 3.01Å; A407-K410 PolarHBondContact O-N 3.42Å; A407-E411 PolarHBondContact O-N 2.88Å; A407-E411 VanDerWaalsContact O-N 3.08Å; A407-Y455 HydrophobicContact CB-CD1 3.65Å; A407-Y455 HydrophobicContact CB-CD2 4.07Å; A407-Y455 HydrophobicContact CB-CE1 3.67Å; A407-Y455 HydrophobicContact CB-CE2 4.09Å; A407-Y455 HydrophobicContact CB-CG 3.86Å
408	L	97.5	Very high	95.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58	-42.9	173.6	177	61.6	0	0	0	112.1	R398 E404 F405 L406 K410 E411 W412 I453 L506	R398-L408 VanDerWaalsContact CZ-CD2 3.46Å; E404-L408 WeakPolarHBondContact O-CB 3.14Å; E404-L408 PolarHBondContact O-N 2.96Å; F405-L408 WeakPolarHBondContact O-CB 3.48Å; F405-L408 PolarHBondContact O-N 3.11Å; F405-L408 VanDerWaalsContact O-N 3.15Å; L406-L408 VanDerWaalsContact C-N 3.34Å; L408-K410 VanDerWaalsContact C-N 3.29Å; L408-K410 PolarHBondContact O-N 3.13Å; L408-E411 PolarHBondContact O-N 2.72Å; L408-W412 WeakPolarHBondContact O-CB 3.31Å; L408-W412 PolarHBondContact O-N 3.13Å; L408-I453 HydrophobicContact CD1-CD1 3.96Å; L408-I453 HydrophobicContact CD1-CG1 3.9Å; L408-L506 HydrophobicContact CD1-CD1 4.16Å; L408-L506 HydrophobicContact CD2-CD1 3.86Å; L408-L506 HydrophobicContact CD2-CD2 3.93Å; L408-L506 HydrophobicContact CG-CD1 3.85Å
409	L	98.1	Very high	95.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.4	-35.6	179.2	-65.9	-174	0	0	0	112.7	F405 L406 A407 A413 L506 P507 Y554 L555	F405-L409 HydrophobicContact CD1-CD1 4.1Å; F405-L409 HydrophobicContact CD1-CG 4.34Å; F405-L409 HydrophobicContact CD2-CD2 4.38Å; F405-L409 HydrophobicContact CD2-CG 4.43Å; F405-L409 HydrophobicContact CE1-CD1 3.6Å; F405-L409 HydrophobicContact CE1-CD2 4.3Å; F405-L409 HydrophobicContact CE1-CG 4.06Å; F405-L409 HydrophobicContact CE2-CD2 3.73Å; F405-L409 HydrophobicContact CE2-CG 4.15Å; F405-L409 HydrophobicContact CZ-CD1 3.85Å; F405-L409 HydrophobicContact CZ-CD2 3.7Å; F405-L409 HydrophobicContact CZ-CG 3.97Å; F405-L409 WeakPolarHBondContact O-CG 3.23Å; F405-L409 PolarHBondContact O-N 3.03Å; L406-L409 PolarHBondContact O-N 2.92Å; A407-L409 VanDerWaalsContact C-N 3.33Å; A407-L409 PolarHBondContact O-N 3.01Å; L409-A413 PolarHBondContact O-N 3.07Å; L409-A413 VanDerWaalsContact O-N 3.17Å; L409-L506 HydrophobicContact CD2-CB 4.4Å; L409-L506 HydrophobicContact CD2-CD2 4.2Å; L409-P507 HydrophobicContact CD1-CG 4.42Å; L409-P507 HydrophobicContact CD2-CG 3.87Å; L409-P507 WeakPolarHBondContact CD2-O 3.44Å; L409-Y554 HydrophobicContact CB-CD1 4.33Å; L409-Y554 HydrophobicContact CB-CE1 3.76Å; L409-Y554 HydrophobicContact CD1-CD1 4.36Å; L409-Y554 HydrophobicContact CD1-CE1 4.44Å; L409-Y554 PolarHBondContact O-OH 3.04Å; L409-Y554 VanDerWaalsContact O-OH 3.09Å; L409-L555 HydrophobicContact CD1-CD1 3.96Å; L409-L555 HydrophobicContact CD1-CD2 4.09Å; L409-L555 HydrophobicContact CD1-CG 4.2Å
410	K	97.2	Very high	94.6	Very high	104 Å²	104	39.9 Å²	39.9	45%	0.452	20%	0.203	S	C	.	.	H	α-helix	trans	-67.2	-48.3	175.8	-68.7	179.2	179.4	-174.8	0	111	L406 A407 L408 W412 A413 V414 Y554	L406-K410 PolarHBondContact O-N 2.79Å; A407-K410 PolarHBondContact O-N 3.42Å; L408-K410 VanDerWaalsContact C-N 3.29Å; L408-K410 PolarHBondContact O-N 3.13Å; K410-W412 VanDerWaalsContact C-N 3.33Å; K410-W412 PolarHBondContact O-N 3.25Å; K410-A413 WeakPolarHBondContact O-CB 3.47Å; K410-A413 PolarHBondContact O-N 2.89Å; K410-V414 PolarHBondContact O-N 3.1Å; K410-Y554 HydrophobicContact CG-CD2 4.36Å; K410-Y554 HydrophobicContact CG-CE2 3.83Å
411	E	96.5	Very high	93.5	Very high	82 Å²	82	45.9 Å²	45.9	38%	0.383	23%	0.231	S	C	.	.	H	α-helix	trans	-66	-35.1	176	-66.5	-60.1	148.4	0	0	112.4	A407 L408 A413 V414 L415 Y455 V464	A407-E411 PolarHBondContact O-N 2.88Å; A407-E411 VanDerWaalsContact O-N 3.08Å; L408-E411 PolarHBondContact O-N 2.72Å; E411-A413 VanDerWaalsContact C-N 3.31Å; E411-A413 PolarHBondContact O-N 3.44Å; E411-V414 PolarHBondContact O-N 2.73Å; E411-L415 WeakPolarHBondContact O-CG 3.33Å; E411-L415 PolarHBondContact O-N 3.17Å; E411-Y455 HydrophobicContact CG-CD2 4.13Å; E411-Y455 HydrophobicContact CG-CE2 4.12Å; E411-V464 HydrophobicContact CB-CG2 3.66Å; E411-V464 HydrophobicContact CG-CG2 3.92Å
412	W	97.2	Very high	91.9	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.6	-37.6	176.3	177.4	-117.9	0	0	0	112.3	L408 K410 L415 C416 I453 F496 V497 R501 I505 L506 L508	L408-W412 WeakPolarHBondContact O-CB 3.31Å; L408-W412 PolarHBondContact O-N 3.13Å; K410-W412 VanDerWaalsContact C-N 3.33Å; K410-W412 PolarHBondContact O-N 3.25Å; W412-L415 HydrophobicContact CE3-CB 4.49Å; W412-L415 HydrophobicContact CE3-CD1 4.45Å; W412-L415 PolarHBondContact O-N 3.41Å; W412-C416 VanDerWaalsContact CZ2-SG 3.58Å; W412-C416 WeakPolarHBondContact O-CB 3.45Å; W412-C416 PolarHBondContact O-N 2.74Å; W412-C416 PolarHBondContact O-SG 3.44Å; W412-I453 HydrophobicContact CE3-CD1 4.08Å; W412-I453 HydrophobicContact CZ3-CD1 4.41Å; W412-F496 HydrophobicContact CZ3-CE1 4.45Å; W412-V497 HydrophobicContact CH2-CB 4.45Å; W412-V497 HydrophobicContact CH2-CG1 4.14Å; W412-V497 HydrophobicContact CZ3-CB 4.33Å; W412-V497 HydrophobicContact CZ3-CG1 4.11Å; W412-V497 HydrophobicContact CZ3-CG2 4.06Å; W412-R501 HydrophobicContact CZ2-CB 4.31Å; W412-I505 HydrophobicContact CH2-CD1 4.37Å; W412-I505 HydrophobicContact CH2-CG1 4.42Å; W412-I505 HydrophobicContact CZ2-CG1 4.38Å; W412-L506 HydrophobicContact CB-CD1 4.04Å; W412-L506 HydrophobicContact CD2-CB 4.13Å; W412-L506 HydrophobicContact CD2-CD1 3.8Å; W412-L506 HydrophobicContact CE3-CD1 4.1Å; W412-L506 HydrophobicContact CG-CB 3.94Å; W412-L506 HydrophobicContact CG-CD1 3.75Å; W412-L506 PolarHBondContact NE1-O 3.42Å; W412-L508 VanDerWaalsContact CD1-CD2 3.46Å; W412-L508 HydrophobicContact CG-CD2 4.37Å
413	A	96.5	Very high	89.9	Confident	29 Å²	29	54.1 Å²	54.1	24%	0.24	28%	0.275	C	S	.	.	H	α-helix	trans	-61.4	-45.7	173.7	0	0	0	0	0	111.4	L409 K410 E411 C416 E417 L508	L409-A413 PolarHBondContact O-N 3.07Å; L409-A413 VanDerWaalsContact O-N 3.17Å; K410-A413 WeakPolarHBondContact O-CB 3.47Å; K410-A413 PolarHBondContact O-N 2.89Å; E411-A413 VanDerWaalsContact C-N 3.31Å; E411-A413 PolarHBondContact O-N 3.44Å; A413-C416 PolarHBondContact O-N 2.96Å; A413-E417 PolarHBondContact O-N 3.41Å; A413-L508 HydrophobicContact CB-CD2 3.8Å
414	V	95.9	Very high	87.9	Confident	82 Å²	82	53.2 Å²	53.2	50%	0.497	27%	0.272	S	S	.	.	H	α-helix	trans	-62.7	-43	176.8	179.6	0	0	0	0	111.3	K410 E411 E417 K418	K410-V414 PolarHBondContact O-N 3.1Å; E411-V414 PolarHBondContact O-N 2.73Å; V414-E417 PolarHBondContact O-N 2.78Å; V414-K418 WeakPolarHBondContact O-CB 3.33Å; V414-K418 PolarHBondContact O-N 2.82Å
415	L	94.3	Very high	85.6	Confident	12 Å²	12	58 Å²	58	6%	0.063	30%	0.297	C	S	.	.	H	α-helix	trans	-63.1	-42.7	176.6	-72.5	172.5	0	0	0	112.2	E411 W412 K418 Y419 I453 V464 F466 I483 V497	E411-L415 WeakPolarHBondContact O-CG 3.33Å; E411-L415 PolarHBondContact O-N 3.17Å; W412-L415 HydrophobicContact CE3-CB 4.49Å; W412-L415 HydrophobicContact CE3-CD1 4.45Å; W412-L415 PolarHBondContact O-N 3.41Å; L415-K418 PolarHBondContact O-N 3.19Å; L415-Y419 HydrophobicContact CD2-CD2 4.19Å; L415-Y419 HydrophobicContact CD2-CE2 3.81Å; L415-Y419 WeakPolarHBondContact O-CD2 3.28Å; L415-Y419 PolarHBondContact O-N 2.89Å; L415-I453 HydrophobicContact CD1-CD1 3.81Å; L415-V464 HydrophobicContact CD1-CG1 4.37Å; L415-F466 HydrophobicContact CD1-CZ 4.24Å; L415-I483 HydrophobicContact CD2-CD1 4.08Å; L415-V497 HydrophobicContact CB-CG1 4.45Å; L415-V497 HydrophobicContact CB-CG2 4.32Å
416	C	94.5	Very high	83.1	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.02	33%	0.333	C	S	.	.	H	α-helix	trans	-62.9	-43.5	176.1	-71.5	0	0	0	0	111.4	W412 A413 K418 V420 L508	W412-C416 VanDerWaalsContact CZ2-SG 3.58Å; W412-C416 WeakPolarHBondContact O-CB 3.45Å; W412-C416 PolarHBondContact O-N 2.74Å; W412-C416 PolarHBondContact O-SG 3.44Å; A413-C416 PolarHBondContact O-N 2.96Å; C416-K418 VanDerWaalsContact C-N 3.33Å; C416-K418 PolarHBondContact O-N 2.77Å; C416-V420 HydrophobicContact CB-CG2 4.44Å; C416-V420 WeakPolarHBondContact O-CA 3.5Å; C416-V420 WeakPolarHBondContact O-CB 3.43Å; C416-V420 WeakPolarHBondContact O-CG2 3.48Å; C416-V420 PolarHBondContact O-N 3.41Å; C416-L508 HydrophobicContact CB-CD1 4.17Å
417	E	92.9	Very high	80.6	Confident	120 Å²	120	68.7 Å²	68.7	56%	0.561	36%	0.363	S	S	*	.	I	π-helix	trans	-59.4	-44.7	176.1	-170.1	174.7	-175.4	0	0	111.9	A413 V414	A413-E417 PolarHBondContact O-N 3.41Å; V414-E417 PolarHBondContact O-N 2.78Å
418	K	91.5	Very high	78.5	Confident	99 Å²	99	71.5 Å²	71.5	43%	0.43	38%	0.375	S	S	.	.	I	π-helix	trans	-67.8	-45.9	-179.8	-176	176.3	177.6	-175.4	0	114	V414 L415 C416	V414-K418 WeakPolarHBondContact O-CB 3.33Å; V414-K418 PolarHBondContact O-N 2.82Å; L415-K418 PolarHBondContact O-N 3.19Å; C416-K418 VanDerWaalsContact C-N 3.33Å; C416-K418 PolarHBondContact O-N 2.77Å
419	Y	88.5	Confident	75.8	Confident	23 Å²	23	75.7 Å²	75.7	9%	0.09	41%	0.409	C	S	.	.	I	π-helix	trans	-103.8	-13.1	-168.4	-67.6	-70.5	0	0	0	114.9	L415 I493 R494 V497 Q498	L415-Y419 HydrophobicContact CD2-CD2 4.19Å; L415-Y419 HydrophobicContact CD2-CE2 3.81Å; L415-Y419 WeakPolarHBondContact O-CD2 3.28Å; L415-Y419 PolarHBondContact O-N 2.89Å; Y419-I493 HydrophobicContact CD2-CG2 4.28Å; Y419-I493 HydrophobicContact CE2-CG2 3.74Å; Y419-R494 HydrophobicContact CD1-CB 3.96Å; Y419-R494 HydrophobicContact CD1-CG 4.23Å; Y419-V497 HydrophobicContact CD2-CG2 4.21Å; Y419-Q498 PolarHBondContact O-NE2 2.79Å
420	V	79.1	Confident	72.8	Confident	53 Å²	53	79 Å²	79	32%	0.321	44%	0.443	S	S	.	.	I	π-helix	trans	-106.2	-37.7	-179.7	-172	0	0	0	0	111.8	C416 V497 Q498 R501	C416-V420 HydrophobicContact CB-CG2 4.44Å; C416-V420 WeakPolarHBondContact O-CA 3.5Å; C416-V420 WeakPolarHBondContact O-CB 3.43Å; C416-V420 WeakPolarHBondContact O-CG2 3.48Å; C416-V420 PolarHBondContact O-N 3.41Å; V420-V497 HydrophobicContact CG2-CG1 4.06Å; V420-Q498 HydrophobicContact CG2-CG 4.21Å; V420-R501 HydrophobicContact CG2-CB 4.25Å; V420-R501 HydrophobicContact CG2-CG 4.37Å
421	H	72.1	Confident	69.9	Low	145 Å²	145	78.2 Å²	78.2	67%	0.671	45%	0.451	S	S	*	.	I	π-helix	trans	-97.5	-25.5	-174.9	-63.9	-49.3	0	0	0	114.2
422	Q	61.2	Low	67	Low	109 Å²	109	83 Å²	83	51%	0.509	47%	0.473	S	S	.	.	S	Bend	trans	-92.8	125	176.4	-60.6	179.4	-0.2	0	0	110.2	V424	Q422-V424 PolarHBondContact O-N 2.93Å
423	D	54.5	Low	64	Low	155 Å²	155	88.9 Å²	88.9	83%	0.829	51%	0.505	S	S	*	.			trans	-67.1	87	160.7	-82	-33.1	0	0	0	107.3	D425	D423-D425 PolarHBondContact O-N 3.2Å
424	V	51.5	Low	61.2	Low	46 Å²	46	96.2 Å²	96.2	28%	0.279	53%	0.534	S	S	.	.			trans	-60.5	122	168.7	-171.2	0	0	0	0	106.4	Q422 S426 L428	Q422-V424 PolarHBondContact O-N 2.93Å; V424-S426 PolarHBondContact O-N 2.98Å; V424-L428 HydrophobicContact CG1-CD1 3.73Å
425	D	47.1	Very low	58.5	Low	116 Å²	116	99.4 Å²	99.4	62%	0.62	54%	0.543	S	S	*	.			trans	-28.2	125	-174.5	-95.6	-33.8	0	0	0	112	D423 N427 L428	D423-D425 PolarHBondContact O-N 3.2Å; D425-N427 HydrophobicContact CB-CB 4.28Å; D425-N427 PolarHBondContact O-N 3.49Å; D425-L428 PolarHBondContact O-N 2.98Å; D425-L428 VanDerWaalsContact O-N 3.16Å
426	S	44.9	Very low	55.8	Low	108 Å²	108	104.6 Å²	104.6	76%	0.755	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-54.6	0.6	171.2	36.3	0	0	0	0	114.1	V424	V424-S426 PolarHBondContact O-N 2.98Å
427	N	45.9	Very low	53.5	Low	131 Å²	131	108.6 Å²	108.6	70%	0.701	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-77.1	-11.3	172.5	-65.7	-32.1	0	0	0	114.6	D425 A429	D425-N427 HydrophobicContact CB-CB 4.28Å; D425-N427 PolarHBondContact O-N 3.49Å; N427-A429 VanDerWaalsContact C-N 3.33Å
428	L	50.9	Low	51.4	Low	85 Å²	85	110.5 Å²	110.5	45%	0.445	62%	0.619	S	S	.	*	G	3₁₀ helix	trans	-82.1	-10.3	172.5	-76.6	166	0	0	0	113.6	V424 D425 G430	V424-L428 HydrophobicContact CG1-CD1 3.73Å; D425-L428 PolarHBondContact O-N 2.98Å; D425-L428 VanDerWaalsContact O-N 3.16Å; L428-G430 PolarHBondContact O-N 2.85Å
429	A	41.7	Very low	49.5	Very low	87 Å²	87	111.3 Å²	111.3	72%	0.719	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-86.3	14.8	177.9	0	0	0	0	0	113.3	N427	N427-A429 VanDerWaalsContact C-N 3.33Å
430	G	35.9	Very low	47.7	Very low	70 Å²	70	114 Å²	114	72%	0.722	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-104.6	1.4	-170.1	0	0	0	0	0	116.6	L428	L428-G430 PolarHBondContact O-N 2.85Å
431	S	35.2	Very low	46.5	Very low	88 Å²	88	118 Å²	118	62%	0.615	67%	0.667	S	S	*	*			trans	-131.1	67.6	174.5	62.6	0	0	0	0	109.7	D433	S431-D433 PolarHBondContact O-N 3.05Å; S431-D433 VanDerWaalsContact O-N 3.09Å
432	E	36	Very low	45.9	Very low	182 Å²	182	121 Å²	121	85%	0.85	68%	0.678	S	S	*	*			trans	-72.6	78.4	145.8	-72.8	-175.5	172.3	0	0	105.7	Q434	E432-Q434 PolarHBondContact O-N 3.09Å
433	D	34.7	Very low	46.2	Very low	124 Å²	124	122.8 Å²	122.8	66%	0.663	69%	0.691	S	S	*	*			trans	-67.9	99.6	155.8	-69.4	-42.7	0	0	0	104.4	S431 E435	S431-D433 PolarHBondContact O-N 3.05Å; S431-D433 VanDerWaalsContact O-N 3.09Å; D433-E435 HydrophobicContact CB-CG 3.9Å; D433-E435 PolarHBondContact O-N 3.13Å
434	Q	37.9	Very low	47.4	Very low	182 Å²	182	120.8 Å²	120.8	85%	0.85	68%	0.677	S	S	*	*			trans	-56.2	75.2	144	-81.7	178.3	-23.4	0	0	106	E432 D436	E432-Q434 PolarHBondContact O-N 3.09Å; Q434-D436 PolarHBondContact O-N 3.46Å; Q434-D436 VanDerWaalsContact O-N 3.14Å
435	E	38.5	Very low	48.9	Very low	149 Å²	149	124.2 Å²	124.2	70%	0.696	69%	0.688	S	S	*	*			trans	-66.8	111.2	157.5	-71.7	-165	157.1	0	0	104.6	D433 A437	D433-E435 HydrophobicContact CB-CG 3.9Å; D433-E435 PolarHBondContact O-N 3.13Å; E435-A437 PolarHBondContact O-N 2.98Å
436	D	37.3	Very low	50.9	Low	122 Å²	122	121 Å²	121	65%	0.652	67%	0.673	S	S	*	*			trans	-41.7	116.9	170.1	-70.9	-50.3	0	0	0	108.3	Q434 D438 T439	Q434-D436 PolarHBondContact O-N 3.46Å; Q434-D436 VanDerWaalsContact O-N 3.14Å; D436-D438 PolarHBondContact O-N 3.19Å; D436-T439 PolarHBondContact O-N 3.09Å; D436-T439 PolarHBondContact O-OG1 3.37Å
437	A	46.7	Very low	53.1	Low	87 Å²	87	116.9 Å²	116.9	72%	0.719	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	-3.4	176.1	0	0	0	0	0	113.3	E435	E435-A437 PolarHBondContact O-N 2.98Å
438	D	49.3	Very low	55.2	Low	159 Å²	159	114.7 Å²	114.7	85%	0.85	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	5.3	179.9	-72.5	-26.6	0	0	0	114.1	D436	D436-D438 PolarHBondContact O-N 3.19Å
439	T	50.7	Low	57.3	Low	116 Å²	116	116.1 Å²	116.1	71%	0.712	63%	0.631	S	S	*	*			trans	-126.7	10.3	-177.7	13.1	0	0	0	0	117.3	D436 D441	D436-T439 PolarHBondContact O-N 3.09Å; D436-T439 PolarHBondContact O-OG1 3.37Å; T439-D441 PolarHBondContact O-N 3.35Å
440	L	51	Low	59.8	Low	81 Å²	81	112.2 Å²	112.2	42%	0.424	60%	0.598	S	S	.	*			trans	-69.8	126.5	173.8	-66.5	169	0	0	0	110.2	E444 V446	L440-E444 HydrophobicContact CD2-CG 4.31Å; L440-E444 WeakPolarHBondContact CD2-OE2 3.45Å; L440-V446 HydrophobicContact CD1-CG2 4.01Å; L440-V446 HydrophobicContact CD2-CG2 4.4Å
441	D	54.5	Low	62.6	Low	135 Å²	135	112.1 Å²	112.1	72%	0.722	58%	0.58	S	S	*	*			trans	-60.4	144.5	170.9	-97.6	-35.6	0	0	0	108.9	T439 D443 E444	T439-D441 PolarHBondContact O-N 3.35Å; D441-D443 PolarHBondContact O-N 2.83Å; D441-E444 PolarHBondContact O-N 3.24Å
442	K	58.2	Low	65.4	Low	210 Å²	210	108.6 Å²	108.6	91%	0.913	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	-5.4	-175.8	-86.3	-176.7	174.9	179.9	0	115.9
443	D	69	Low	68.2	Low	145 Å²	145	100 Å²	100	78%	0.775	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.9	11.2	-176.1	-61.8	-35.6	0	0	0	113	D441	D441-D443 PolarHBondContact O-N 2.83Å
444	E	78.2	Confident	71.1	Confident	114 Å²	114	96.7 Å²	96.7	53%	0.533	50%	0.496	S	S	.	.			trans	-91	135.7	-179.5	-163.8	162.1	-166.5	0	0	112.6	L440 D441	L440-E444 HydrophobicContact CD2-CG 4.31Å; L440-E444 WeakPolarHBondContact CD2-OE2 3.45Å; D441-E444 PolarHBondContact O-N 3.24Å
445	F	83.4	Confident	73.8	Confident	117 Å²	117	90.2 Å²	90.2	51%	0.513	46%	0.464	S	S	.	.			trans	-111	113.8	180	-70.9	-97.9	0	0	0	109.6	W470 Y473	F445-W470 HydrophobicContact CB-CD2 4.46Å; F445-W470 HydrophobicContact CB-CE3 3.74Å; F445-W470 HydrophobicContact CB-CZ3 3.8Å; F445-Y473 AromaticContact CD1-CE2 3.83Å; F445-Y473 HydrophobicContact CD1-CE2 3.83Å; F445-Y473 AromaticContact CD1-CZ 3.95Å; F445-Y473 HydrophobicContact CE1-CE1 4.22Å; F445-Y473 AromaticContact CE1-CE2 3.93Å; F445-Y473 HydrophobicContact CE1-CE2 3.93Å; F445-Y473 AromaticContact CE1-CZ 3.54Å; F445-Y473 WeakPolarHBondContact CE1-OH 3.2Å
446	V	88.8	Confident	75.9	Confident	50 Å²	50	83.8 Å²	83.8	30%	0.303	44%	0.435	S	S	.	.			trans	-96.4	131.1	-178.4	-176.8	0	0	0	0	110.7	L440 Q448 W470 E471	L440-V446 HydrophobicContact CD1-CG2 4.01Å; L440-V446 HydrophobicContact CD2-CG2 4.4Å; V446-Q448 PolarHBondContact O-N 3.23Å; V446-Q448 VanDerWaalsContact O-N 3.16Å; V446-W470 WeakPolarHBondContact O-CA 3.39Å; V446-E471 HydrophobicContact CB-CB 4.16Å; V446-E471 WeakPolarHBondContact CG1-OE2 3.33Å; V446-E471 PolarHBondContact O-N 3.14Å
447	V	90.7	Very high	77.4	Confident	21 Å²	21	79.1 Å²	79.1	13%	0.127	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	103.7	174.8	175.5	0	0	0	0	109.7	L450 V468 W470 L486 K492	V447-L450 HydrophobicContact CG1-CD2 4.19Å; V447-V468 HydrophobicContact CB-CG1 4.21Å; V447-V468 HydrophobicContact CG1-CG1 3.86Å; V447-V468 HydrophobicContact CG2-CG1 3.82Å; V447-W470 HydrophobicContact CG2-CE3 4.28Å; V447-W470 HydrophobicContact CG2-CH2 4.29Å; V447-W470 HydrophobicContact CG2-CZ3 3.71Å; V447-L486 HydrophobicContact CG2-CD2 4.36Å; V447-K492 HydrophobicContact CG1-CG 4.43Å
448	Q	91.7	Very high	78	Confident	85 Å²	85	78.8 Å²	78.8	40%	0.397	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	-53.6	174.4	-171.9	178.7	27.6	0	0	110.3	V446 Q469 E471 K492	V446-Q448 PolarHBondContact O-N 3.23Å; V446-Q448 VanDerWaalsContact O-N 3.16Å; Q448-Q469 HydrophobicContact CB-CG 4.5Å; Q448-Q469 VanDerWaalsContact CB-O 3.32Å; Q448-Q469 WeakPolarHBondContact CB-O 3.25Å; Q448-Q469 PolarHBondContact N-O 2.96Å; Q448-E471 HydrophobicContact CB-CB 4.16Å; Q448-K492 PolarHBondContact O-NZ 2.79Å
449	K	93.5	Very high	78.8	Confident	114 Å²	114	75.7 Å²	75.7	50%	0.496	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	151.4	-173.3	-170.5	172.9	179.1	178.6	0	112.2	I451 Q469	K449-I451 HydrophobicContact CB-CG2 4.48Å; K449-I451 HydrophobicContact CD-CG2 4.42Å; K449-I451 HydrophobicContact CG-CG2 4.26Å; K449-Q469 HydrophobicContact CB-CB 4.45Å; K449-Q469 PolarHBondContact N-O 3.24Å; K449-Q469 WeakPolarHBondContact O-CB 3.47Å; K449-Q469 PolarHBondContact O-N 2.85Å
450	L	94.7	Very high	79.7	Confident	5 Å²	5	75.5 Å²	75.5	3%	0.026	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	131.8	165.1	-52.9	179.2	0	0	0	109.6	V447 F466 K467 V468 L486 K492 I493 F496	V447-L450 HydrophobicContact CG1-CD2 4.19Å; L450-F466 HydrophobicContact CD1-CB 4.24Å; L450-F466 HydrophobicContact CD1-CD1 3.96Å; L450-F466 HydrophobicContact CD1-CE1 4.5Å; L450-F466 HydrophobicContact CD1-CG 4.03Å; L450-F466 HydrophobicContact CD2-CB 4.08Å; L450-K467 WeakPolarHBondContact CA-O 3.44Å; L450-V468 HydrophobicContact CD2-CB 4.46Å; L450-V468 HydrophobicContact CD2-CG2 3.81Å; L450-L486 HydrophobicContact CD1-CD1 4.43Å; L450-L486 HydrophobicContact CD2-CD1 3.87Å; L450-K492 HydrophobicContact CD1-CB 4.41Å; L450-K492 HydrophobicContact CG-CB 4.34Å; L450-I493 HydrophobicContact CD1-CB 4.38Å; L450-I493 HydrophobicContact CD1-CG1 3.81Å; L450-F496 HydrophobicContact CB-CB 3.94Å; L450-F496 HydrophobicContact CB-CD2 3.95Å; L450-F496 HydrophobicContact CB-CG 4Å; L450-F496 HydrophobicContact CD1-CB 4.27Å; L450-F496 VanDerWaalsContact O-CD2 3.22Å; L450-F496 WeakPolarHBondContact O-CD2 3.44Å
451	I	93.9	Very high	81.1	Confident	68 Å²	68	78.4 Å²	78.4	35%	0.349	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	-7.1	-171.7	62.1	167	0	0	0	113.4	K449 K467 Q469 D478	K449-I451 HydrophobicContact CB-CG2 4.48Å; K449-I451 HydrophobicContact CD-CG2 4.42Å; K449-I451 HydrophobicContact CG-CG2 4.26Å; I451-K467 HydrophobicContact CD1-CD 3.91Å; I451-K467 HydrophobicContact CD1-CG 4.2Å; I451-K467 HydrophobicContact CG1-CB 3.97Å; I451-K467 HydrophobicContact CG1-CD 4.1Å; I451-K467 HydrophobicContact CG1-CG 4.04Å; I451-K467 WeakPolarHBondContact CG1-O 3.35Å; I451-K467 PolarHBondContact N-O 2.84Å; I451-Q469 HydrophobicContact CD1-CB 4.49Å; I451-Q469 HydrophobicContact CG2-CB 4.01Å; I451-D478 HydrophobicContact CD1-CB 4.17Å; I451-D478 WeakPolarHBondContact CD1-OD2 3.42Å
452	G	94.1	Very high	82.7	Confident	14 Å²	14	79.2 Å²	79.2	14%	0.144	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	162.9	179.6	0	0	0	0	0	112.6	F466 K467	G452-F466 CarbonylContact O-C 3.47Å; G452-F466 VanDerWaalsContact O-CA 3.26Å; G452-F466 WeakPolarHBondContact O-CA 3.25Å; G452-K467 PolarHBondContact O-N 2.65Å
453	I	96.3	Very high	84.3	Confident	3 Å²	3	70.1 Å²	70.1	2%	0.015	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	143.2	176.2	-170.7	179.1	0	0	0	109.2	R398 L408 W412 L415 V464 Y465 F466 F496 L506	R398-I453 PolarHBondContact NH1-O 3.17Å; R398-I453 PolarHBondContact NH2-O 3.47Å; L408-I453 HydrophobicContact CD1-CD1 3.96Å; L408-I453 HydrophobicContact CD1-CG1 3.9Å; W412-I453 HydrophobicContact CE3-CD1 4.08Å; W412-I453 HydrophobicContact CZ3-CD1 4.41Å; L415-I453 HydrophobicContact CD1-CD1 3.81Å; I453-V464 HydrophobicContact CD1-CG1 3.78Å; I453-V464 HydrophobicContact CG1-CG1 3.76Å; I453-Y465 CarbonylContact C-O 3.54Å; I453-Y465 WeakPolarHBondContact CA-O 3.48Å; I453-F466 HydrophobicContact CB-CD1 4.1Å; I453-F466 HydrophobicContact CB-CE1 4.13Å; I453-F466 HydrophobicContact CD1-CD1 4.47Å; I453-F466 HydrophobicContact CD1-CE1 3.73Å; I453-F466 HydrophobicContact CD1-CZ 3.94Å; I453-F466 HydrophobicContact CG1-CD1 4.13Å; I453-F466 HydrophobicContact CG1-CE1 3.88Å; I453-F466 HydrophobicContact CG1-CZ 4.33Å; I453-F496 HydrophobicContact CB-CE1 3.72Å; I453-F496 HydrophobicContact CB-CZ 3.89Å; I453-F496 HydrophobicContact CD1-CE1 4.49Å; I453-F496 HydrophobicContact CG2-CE1 3.83Å; I453-F496 HydrophobicContact CG2-CZ 3.87Å; I453-L506 HydrophobicContact CG2-CD1 3.71Å
454	R	94.2	Very high	85.5	Confident	53 Å²	53	63.6 Å²	63.6	20%	0.2	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	166.2	172.7	73.2	-174	-168.2	170.6	14.4	111.5	D456 R460 Y465 W480	R454-D456 IonicContact CZ-OD1 2.76Å; R454-D456 IonicContact CZ-OD2 3.28Å; R454-D456 VanDerWaalsContact NE-CG 3.25Å; R454-D456 IonicContact NE-OD1 3.5Å; R454-D456 PolarHBondContact NE-OD1 3.08Å; R454-D456 IonicContact NE-OD2 2.78Å; R454-D456 PolarHBondContact NE-OD2 2.99Å; R454-D456 IonicContact NH1-OD1 2.94Å; R454-D456 VanDerWaalsContact NH2-CG 3.29Å; R454-D456 IonicContact NH2-OD1 3.9Å; R454-D456 PolarHBondContact NH2-OD1 3.24Å; R454-D456 VanDerWaalsContact NH2-OD1 3.12Å; R454-D456 IonicContact NH2-OD2 3.02Å; R454-D456 PolarHBondContact NH2-OD2 2.88Å; R454-R460 VanDerWaalsContact NH2-NH1 3.19Å; R454-Y465 PolarHBondContact N-O 2.69Å; R454-Y465 PolarHBondContact O-N 3.44Å; R454-W480 HydrophobicContact CB-CH2 3.98Å; R454-W480 HydrophobicContact CB-CZ3 3.9Å; R454-W480 HydrophobicContact CG-CD2 4.26Å; R454-W480 HydrophobicContact CG-CE3 3.7Å; R454-W480 HydrophobicContact CG-CH2 3.99Å; R454-W480 HydrophobicContact CG-CZ3 3.56Å
455	Y	94.6	Very high	86.3	Confident	46 Å²	46	59 Å²	59	18%	0.18	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.6	169.1	-173.9	-81.1	0	0	0	108.6	A407 E411 G463 V464	A407-Y455 HydrophobicContact CB-CD1 3.65Å; A407-Y455 HydrophobicContact CB-CD2 4.07Å; A407-Y455 HydrophobicContact CB-CE1 3.67Å; A407-Y455 HydrophobicContact CB-CE2 4.09Å; A407-Y455 HydrophobicContact CB-CG 3.86Å; E411-Y455 HydrophobicContact CG-CD2 4.13Å; E411-Y455 HydrophobicContact CG-CE2 4.12Å; Y455-G463 WeakPolarHBondContact CA-O 3.35Å; Y455-V464 HydrophobicContact CD2-CG2 4.45Å
456	D	83.8	Confident	86.9	Confident	14 Å²	14	53.4 Å²	53.4	8%	0.075	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	121.3	180	-77.4	-36.7	0	0	0	110.6	R454 R460 K462 G463 Y465	R454-D456 IonicContact CZ-OD1 2.76Å; R454-D456 IonicContact CZ-OD2 3.28Å; R454-D456 VanDerWaalsContact NE-CG 3.25Å; R454-D456 IonicContact NE-OD1 3.5Å; R454-D456 PolarHBondContact NE-OD1 3.08Å; R454-D456 IonicContact NE-OD2 2.78Å; R454-D456 PolarHBondContact NE-OD2 2.99Å; R454-D456 IonicContact NH1-OD1 2.94Å; R454-D456 VanDerWaalsContact NH2-CG 3.29Å; R454-D456 IonicContact NH2-OD1 3.9Å; R454-D456 PolarHBondContact NH2-OD1 3.24Å; R454-D456 VanDerWaalsContact NH2-OD1 3.12Å; R454-D456 IonicContact NH2-OD2 3.02Å; R454-D456 PolarHBondContact NH2-OD2 2.88Å; D456-R460 HydrophobicContact CB-CB 4.26Å; D456-R460 VanDerWaalsContact OD2-CD 3.23Å; D456-R460 WeakPolarHBondContact OD2-CD 3.27Å; D456-R460 IonicContact OD2-NE 3.54Å; D456-R460 IonicContact OD2-NH1 2.73Å; D456-K462 WeakPolarHBondContact O-CA 3.45Å; D456-G463 PolarHBondContact N-O 3.28Å; D456-G463 VanDerWaalsContact N-O 3.16Å; D456-Y465 HydrophobicContact CB-CD2 3.93Å; D456-Y465 HydrophobicContact CB-CE2 3.89Å
457	G	67.2	Low	87.2	Confident	24 Å²	24	53.5 Å²	53.5	25%	0.247	28%	0.284	C	S	.	.			trans	-101.1	-16.8	173	0	0	0	0	0	114	E404	E404-G457 WeakPolarHBondContact OE1-CA 3.35Å; E404-G457 PolarHBondContact OE1-N 3.16Å
458	T	61	Low	87.4	Confident	81 Å²	81	52.5 Å²	52.5	50%	0.497	28%	0.278	S	S	.	.	S	Bend	trans	-127.1	128.4	-168.4	54.2	0	0	0	0	112.8	E404 R460	E404-T458 PolarHBondContact OE1-OG1 3.04Å; T458-R460 PolarHBondContact O-N 3.43Å; T458-R460 VanDerWaalsContact O-N 3.09Å
459	G	64.8	Low	87.5	Confident	94 Å²	94	50.9 Å²	50.9	97%	0.969	27%	0.27	S	S	*	.	S	Bend	trans	76.1	-15	175.7	0	0	0	0	0	116.8
460	R	70.7	Confident	87.5	Confident	111 Å²	111	47 Å²	47	42%	0.419	25%	0.253	S	S	.	.	S	Bend	trans	-123.8	173.7	175.8	-63.6	178.1	-179.4	-157.5	-1.5	111.5	R454 D456 T458 K462 Y465 W480	R454-R460 VanDerWaalsContact NH2-NH1 3.19Å; D456-R460 HydrophobicContact CB-CB 4.26Å; D456-R460 VanDerWaalsContact OD2-CD 3.23Å; D456-R460 WeakPolarHBondContact OD2-CD 3.27Å; D456-R460 IonicContact OD2-NE 3.54Å; D456-R460 IonicContact OD2-NH1 2.73Å; T458-R460 PolarHBondContact O-N 3.43Å; T458-R460 VanDerWaalsContact O-N 3.09Å; R460-K462 PolarHBondContact O-N 3.49Å; R460-Y465 HydrophobicContact CB-CE2 4.44Å; R460-W480 VanDerWaalsContact NH1-CB 3.26Å; R460-W480 PolarHBondContact NH1-O 3.2Å; R460-W480 VanDerWaalsContact NH1-O 3.14Å
461	K	80.9	Confident	87.4	Confident	142 Å²	142	51.3 Å²	51.3	62%	0.617	27%	0.272	S	S	*	.			trans	-63.4	130.4	173.4	-176.8	-174.5	173.5	-165.7	0	107.8	G463 Y465 D484	K461-G463 PolarHBondContact O-N 2.91Å; K461-Y465 PolarHBondContact N-OH 3.12Å; K461-Y465 VanDerWaalsContact O-CE2 3.29Å; K461-Y465 WeakPolarHBondContact O-CE2 3.34Å; K461-Y465 PolarHBondContact O-OH 3.14Å; K461-D484 IonicContact NZ-OD2 3.21Å; K461-D484 PolarHBondContact NZ-OD2 2.77Å
462	K	87.1	Confident	87.2	Confident	153 Å²	153	57.1 Å²	57.1	67%	0.665	30%	0.298	S	S	*	.	S	Bend	trans	-58	129.3	177.5	-70.4	-171.9	176.2	-175.5	0	110.5	D456 R460	D456-K462 WeakPolarHBondContact O-CA 3.45Å; R460-K462 PolarHBondContact O-N 3.49Å
463	G	92.4	Very high	87	Confident	19 Å²	19	61.1 Å²	61.1	20%	0.196	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154.1	-174.5	177.4	0	0	0	0	0	113.5	Y455 D456 K461 Y465	Y455-G463 WeakPolarHBondContact CA-O 3.35Å; D456-G463 PolarHBondContact N-O 3.28Å; D456-G463 VanDerWaalsContact N-O 3.16Å; K461-G463 PolarHBondContact O-N 2.91Å; G463-Y465 WeakPolarHBondContact O-CD2 3.2Å
464	V	94.2	Very high	86.7	Confident	8 Å²	8	62.8 Å²	62.8	5%	0.048	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	134	178.7	179.3	0	0	0	0	110.5	E411 L415 I453 Y455 F466 I483	E411-V464 HydrophobicContact CB-CG2 3.66Å; E411-V464 HydrophobicContact CG-CG2 3.92Å; L415-V464 HydrophobicContact CD1-CG1 4.37Å; I453-V464 HydrophobicContact CD1-CG1 3.78Å; I453-V464 HydrophobicContact CG1-CG1 3.76Å; Y455-V464 HydrophobicContact CD2-CG2 4.45Å; V464-F466 HydrophobicContact CG1-CD2 4.39Å; V464-F466 HydrophobicContact CG1-CE2 3.9Å; V464-F466 HydrophobicContact CG1-CZ 4.19Å; V464-I483 HydrophobicContact CB-CB 4.37Å; V464-I483 HydrophobicContact CB-CG2 4.32Å; V464-I483 PolarHBondContact O-N 2.78Å
465	Y	94.9	Very high	86.4	Confident	16 Å²	16	64.8 Å²	64.8	6%	0.063	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	142.6	172.2	-72.7	-107.5	0	0	0	109.5	I453 R454 D456 R460 K461 G463 E481 P482	I453-Y465 CarbonylContact C-O 3.54Å; I453-Y465 WeakPolarHBondContact CA-O 3.48Å; R454-Y465 PolarHBondContact N-O 2.69Å; R454-Y465 PolarHBondContact O-N 3.44Å; D456-Y465 HydrophobicContact CB-CD2 3.93Å; D456-Y465 HydrophobicContact CB-CE2 3.89Å; R460-Y465 HydrophobicContact CB-CE2 4.44Å; K461-Y465 PolarHBondContact N-OH 3.12Å; K461-Y465 VanDerWaalsContact O-CE2 3.29Å; K461-Y465 WeakPolarHBondContact O-CE2 3.34Å; K461-Y465 PolarHBondContact O-OH 3.14Å; G463-Y465 WeakPolarHBondContact O-CD2 3.2Å; Y465-E481 CarbonylContact C-O 3.57Å; Y465-E481 VanDerWaalsContact CA-O 3.23Å; Y465-E481 WeakPolarHBondContact CA-O 3.43Å; Y465-E481 VanDerWaalsContact CD1-C 3.46Å; Y465-P482 HydrophobicContact CD1-CB 3.96Å; Y465-P482 VanDerWaalsContact CD1-N 3.28Å; Y465-P482 HydrophobicContact CE1-CB 3.54Å; Y465-P482 HydrophobicContact CE1-CG 4.03Å; Y465-P482 HydrophobicContact CE2-CB 4.4Å
466	F	95.2	Very high	86.2	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	144.1	171.3	-68.8	-86.6	0	0	0	110.4	L415 L450 G452 I453 V464 W480 E481 I483 L486 I493 F496	L415-F466 HydrophobicContact CD1-CZ 4.24Å; L450-F466 HydrophobicContact CD1-CB 4.24Å; L450-F466 HydrophobicContact CD1-CD1 3.96Å; L450-F466 HydrophobicContact CD1-CE1 4.5Å; L450-F466 HydrophobicContact CD1-CG 4.03Å; L450-F466 HydrophobicContact CD2-CB 4.08Å; G452-F466 CarbonylContact O-C 3.47Å; G452-F466 VanDerWaalsContact O-CA 3.26Å; G452-F466 WeakPolarHBondContact O-CA 3.25Å; I453-F466 HydrophobicContact CB-CD1 4.1Å; I453-F466 HydrophobicContact CB-CE1 4.13Å; I453-F466 HydrophobicContact CD1-CD1 4.47Å; I453-F466 HydrophobicContact CD1-CE1 3.73Å; I453-F466 HydrophobicContact CD1-CZ 3.94Å; I453-F466 HydrophobicContact CG1-CD1 4.13Å; I453-F466 HydrophobicContact CG1-CE1 3.88Å; I453-F466 HydrophobicContact CG1-CZ 4.33Å; V464-F466 HydrophobicContact CG1-CD2 4.39Å; V464-F466 HydrophobicContact CG1-CE2 3.9Å; V464-F466 HydrophobicContact CG1-CZ 4.19Å; F466-W480 VanDerWaalsContact C-CE3 3.45Å; F466-W480 CarbonylContact O-C 3.59Å; F466-W480 WeakPolarHBondContact O-CA 3.34Å; F466-E481 PolarHBondContact N-O 3.21Å; F466-E481 PolarHBondContact O-N 2.8Å; F466-I483 HydrophobicContact CD2-CB 4.47Å; F466-I483 HydrophobicContact CE2-CB 4.2Å; F466-I483 HydrophobicContact CE2-CD1 3.93Å; F466-I483 HydrophobicContact CE2-CG1 3.9Å; F466-L486 HydrophobicContact CB-CD1 3.71Å; F466-L486 HydrophobicContact CD2-CD1 3.95Å; F466-L486 HydrophobicContact CG-CD1 4.17Å; F466-I493 HydrophobicContact CE2-CG2 4.41Å; F466-I493 HydrophobicContact CZ-CG2 4.05Å; F466-F496 AromaticContact CD1-CD1 3.88Å; F466-F496 HydrophobicContact CD1-CD1 3.88Å; F466-F496 AromaticContact CD1-CE1 3.94Å; F466-F496 HydrophobicContact CD1-CE1 3.94Å; F466-F496 HydrophobicContact CD1-CG 4.48Å; F466-F496 AromaticContact CE1-CD1 3.49Å; F466-F496 HydrophobicContact CE1-CD1 3.49Å; F466-F496 VanDerWaalsContact CE1-CD1 3.49Å; F466-F496 AromaticContact CE1-CE1 3.67Å; F466-F496 HydrophobicContact CE1-CE1 3.67Å; F466-F496 HydrophobicContact CE1-CG 4.4Å
467	K	94.9	Very high	86.6	Confident	53 Å²	53	76 Å²	76	23%	0.23	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	118.9	170.1	-161.2	-178.1	-172.1	-132.8	0	108.3	L450 I451 G452 D478 T479 W480	L450-K467 WeakPolarHBondContact CA-O 3.44Å; I451-K467 HydrophobicContact CD1-CD 3.91Å; I451-K467 HydrophobicContact CD1-CG 4.2Å; I451-K467 HydrophobicContact CG1-CB 3.97Å; I451-K467 HydrophobicContact CG1-CD 4.1Å; I451-K467 HydrophobicContact CG1-CG 4.04Å; I451-K467 WeakPolarHBondContact CG1-O 3.35Å; I451-K467 PolarHBondContact N-O 2.84Å; G452-K467 PolarHBondContact O-N 2.65Å; K467-D478 HydrophobicContact CD-CB 4.19Å; K467-D478 HydrophobicContact CG-CB 4.16Å; K467-D478 VanDerWaalsContact NZ-CB 3.25Å; K467-D478 IonicContact NZ-OD2 2.95Å; K467-D478 PolarHBondContact NZ-OD2 2.98Å; K467-T479 CarbonylContact C-O 3.57Å; K467-T479 VanDerWaalsContact CA-O 3.27Å; K467-T479 WeakPolarHBondContact CA-O 3.46Å; K467-W480 HydrophobicContact CB-CD2 3.87Å; K467-W480 HydrophobicContact CB-CE3 3.76Å; K467-W480 HydrophobicContact CB-CH2 3.82Å; K467-W480 HydrophobicContact CB-CZ2 3.92Å; K467-W480 HydrophobicContact CB-CZ3 3.73Å; K467-W480 HydrophobicContact CD-CZ2 4.11Å; K467-W480 HydrophobicContact CG-CD2 4.15Å; K467-W480 HydrophobicContact CG-CZ2 4.28Å; K467-W480 VanDerWaalsContact N-CE3 3.33Å
468	V	95.1	Very high	87.8	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	127.1	-175.3	-176.7	0	0	0	0	108.7	V447 L450 W470 D478 T479 E481 L486	V447-V468 HydrophobicContact CB-CG1 4.21Å; V447-V468 HydrophobicContact CG1-CG1 3.86Å; V447-V468 HydrophobicContact CG2-CG1 3.82Å; L450-V468 HydrophobicContact CD2-CB 4.46Å; L450-V468 HydrophobicContact CD2-CG2 3.81Å; V468-W470 HydrophobicContact CB-CZ2 4.02Å; V468-W470 HydrophobicContact CG1-CD2 3.76Å; V468-W470 HydrophobicContact CG1-CE3 3.94Å; V468-W470 HydrophobicContact CG1-CG 4.42Å; V468-W470 HydrophobicContact CG1-CH2 3.96Å; V468-W470 HydrophobicContact CG1-CZ2 3.76Å; V468-W470 HydrophobicContact CG1-CZ3 4.04Å; V468-D478 CarbonylContact O-C 3.51Å; V468-D478 WeakPolarHBondContact O-CA 3.39Å; V468-D478 WeakPolarHBondContact O-CB 3.48Å; V468-T479 PolarHBondContact N-O 3.36Å; V468-T479 PolarHBondContact O-N 2.83Å; V468-E481 HydrophobicContact CB-CG 4.49Å; V468-E481 HydrophobicContact CG2-CB 3.92Å; V468-E481 HydrophobicContact CG2-CG 3.68Å; V468-L486 HydrophobicContact CG2-CD1 4.2Å; V468-L486 HydrophobicContact CG2-CD2 4.07Å
469	Q	95	Very high	89.3	Confident	50 Å²	50	74.5 Å²	74.5	23%	0.234	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	122.4	163.5	-179	177.2	34.7	0	0	107.9	Q448 K449 I451 D478	Q448-Q469 HydrophobicContact CB-CG 4.5Å; Q448-Q469 VanDerWaalsContact CB-O 3.32Å; Q448-Q469 WeakPolarHBondContact CB-O 3.25Å; Q448-Q469 PolarHBondContact N-O 2.96Å; K449-Q469 HydrophobicContact CB-CB 4.45Å; K449-Q469 PolarHBondContact N-O 3.24Å; K449-Q469 WeakPolarHBondContact O-CB 3.47Å; K449-Q469 PolarHBondContact O-N 2.85Å; I451-Q469 HydrophobicContact CD1-CB 4.49Å; I451-Q469 HydrophobicContact CG2-CB 4.01Å; Q469-D478 WeakPolarHBondContact CA-OD1 3.41Å
470	W	93.2	Very high	90.6	Very high	34 Å²	34	73.2 Å²	73.2	13%	0.129	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	139.5	-178.3	-56.6	103.3	0	0	0	110.6	F445 V446 V447 V468 Y473 T479 E481	F445-W470 HydrophobicContact CB-CD2 4.46Å; F445-W470 HydrophobicContact CB-CE3 3.74Å; F445-W470 HydrophobicContact CB-CZ3 3.8Å; V446-W470 WeakPolarHBondContact O-CA 3.39Å; V447-W470 HydrophobicContact CG2-CE3 4.28Å; V447-W470 HydrophobicContact CG2-CH2 4.29Å; V447-W470 HydrophobicContact CG2-CZ3 3.71Å; V468-W470 HydrophobicContact CB-CZ2 4.02Å; V468-W470 HydrophobicContact CG1-CD2 3.76Å; V468-W470 HydrophobicContact CG1-CE3 3.94Å; V468-W470 HydrophobicContact CG1-CG 4.42Å; V468-W470 HydrophobicContact CG1-CH2 3.96Å; V468-W470 HydrophobicContact CG1-CZ2 3.76Å; V468-W470 HydrophobicContact CG1-CZ3 4.04Å; W470-Y473 HydrophobicContact CB-CD2 3.47Å; W470-Y473 VanDerWaalsContact CB-CD2 3.47Å; W470-Y473 HydrophobicContact CB-CE2 4.26Å; W470-Y473 HydrophobicContact CB-CG 4.08Å; W470-Y473 PolarHBondContact O-N 3.4Å; W470-T479 WeakPolarHBondContact CZ2-OG1 3.33Å; W470-T479 PolarHBondContact NE1-OG1 3.41Å; W470-E481 HydrophobicContact CH2-CG 4.45Å; W470-E481 HydrophobicContact CZ2-CG 4.06Å
471	E	92.3	Very high	91.7	Very high	94 Å²	94	70.1 Å²	70.1	44%	0.439	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	137.5	179.1	-166.8	166.7	-163.4	0	0	110.8	V446 Q448 Y473	V446-E471 HydrophobicContact CB-CB 4.16Å; V446-E471 WeakPolarHBondContact CG1-OE2 3.33Å; V446-E471 PolarHBondContact O-N 3.14Å; Q448-E471 HydrophobicContact CB-CB 4.16Å; E471-Y473 WeakPolarHBondContact O-CD2 3.41Å; E471-Y473 WeakPolarHBondContact O-CE2 2.95Å; E471-Y473 PolarHBondContact O-N 2.94Å
472	E	89.1	Confident	92.2	Very high	191 Å²	191	64.5 Å²	64.5	89%	0.893	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	0.8	-175.2	-44.1	-166.2	149	0	0	116.7
473	Y	89.9	Confident	92.5	Very high	98 Å²	98	59.4 Å²	59.4	38%	0.384	30%	0.3	S	S	.	.			trans	-102.2	151.6	178.2	-66	-88.8	0	0	0	113.4	F445 W470 E471 E477	F445-Y473 AromaticContact CD1-CE2 3.83Å; F445-Y473 HydrophobicContact CD1-CE2 3.83Å; F445-Y473 AromaticContact CD1-CZ 3.95Å; F445-Y473 HydrophobicContact CE1-CE1 4.22Å; F445-Y473 AromaticContact CE1-CE2 3.93Å; F445-Y473 HydrophobicContact CE1-CE2 3.93Å; F445-Y473 AromaticContact CE1-CZ 3.54Å; F445-Y473 WeakPolarHBondContact CE1-OH 3.2Å; W470-Y473 HydrophobicContact CB-CD2 3.47Å; W470-Y473 VanDerWaalsContact CB-CD2 3.47Å; W470-Y473 HydrophobicContact CB-CE2 4.26Å; W470-Y473 HydrophobicContact CB-CG 4.08Å; W470-Y473 PolarHBondContact O-N 3.4Å; E471-Y473 WeakPolarHBondContact O-CD2 3.41Å; E471-Y473 WeakPolarHBondContact O-CE2 2.95Å; E471-Y473 PolarHBondContact O-N 2.94Å; Y473-E477 HydrophobicContact CD1-CB 4.13Å; Y473-E477 HydrophobicContact CD1-CG 4.06Å; Y473-E477 HydrophobicContact CG-CB 4.33Å
474	G	90.5	Very high	92.3	Very high	38 Å²	38	63 Å²	63	39%	0.392	32%	0.315	S	S	.	.			trans	-80.5	166.8	175.2	0	0	0	0	0	112.9	E476 E477	G474-E476 PolarHBondContact O-N 3.08Å; G474-E477 WeakPolarHBondContact O-CB 3.16Å; G474-E477 PolarHBondContact O-N 2.77Å
475	P	88.7	Confident	92.1	Very high	95 Å²	95	67.3 Å²	67.3	62%	0.617	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-59.5	-22.4	-175.8	-25	34.3	0	0	0	116.1	E477 D478	P475-E477 PolarHBondContact O-N 3.07Å; P475-D478 VanDerWaalsContact O-CG 3.29Å; P475-D478 VanDerWaalsContact O-OD2 3.12Å
476	E	89	Confident	91.8	Very high	181 Å²	181	66.9 Å²	66.9	85%	0.846	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-72.2	-18.3	177.8	-58.1	-61.2	163	0	0	112.6	G474	G474-E476 PolarHBondContact O-N 3.08Å
477	E	92.1	Very high	91.3	Very high	115 Å²	115	70.8 Å²	70.8	54%	0.537	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-96.5	-2.4	-178.5	-58	-64.5	161.7	0	0	112.5	Y473 G474 P475 T479	Y473-E477 HydrophobicContact CD1-CB 4.13Å; Y473-E477 HydrophobicContact CD1-CG 4.06Å; Y473-E477 HydrophobicContact CG-CB 4.33Å; G474-E477 WeakPolarHBondContact O-CB 3.16Å; G474-E477 PolarHBondContact O-N 2.77Å; P475-E477 PolarHBondContact O-N 3.07Å; E477-T479 WeakPolarHBondContact O-CG2 3.5Å; E477-T479 PolarHBondContact O-N 2.91Å
478	D	92.6	Very high	90.8	Very high	20 Å²	20	75.2 Å²	75.2	11%	0.107	39%	0.39	C	S	.	.			trans	-61.7	124	175.8	-63.1	-25	0	0	0	110.9	I451 K467 V468 Q469 P475	I451-D478 HydrophobicContact CD1-CB 4.17Å; I451-D478 WeakPolarHBondContact CD1-OD2 3.42Å; K467-D478 HydrophobicContact CD-CB 4.19Å; K467-D478 HydrophobicContact CG-CB 4.16Å; K467-D478 VanDerWaalsContact NZ-CB 3.25Å; K467-D478 IonicContact NZ-OD2 2.95Å; K467-D478 PolarHBondContact NZ-OD2 2.98Å; V468-D478 CarbonylContact O-C 3.51Å; V468-D478 WeakPolarHBondContact O-CA 3.39Å; V468-D478 WeakPolarHBondContact O-CB 3.48Å; Q469-D478 WeakPolarHBondContact CA-OD1 3.41Å; P475-D478 VanDerWaalsContact O-CG 3.29Å; P475-D478 VanDerWaalsContact O-OD2 3.12Å
479	T	93.2	Very high	90.4	Very high	52 Å²	52	77 Å²	77	32%	0.319	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	162.5	-176.9	67.3	0	0	0	0	113	K467 V468 W470 E477 E481	K467-T479 CarbonylContact C-O 3.57Å; K467-T479 VanDerWaalsContact CA-O 3.27Å; K467-T479 WeakPolarHBondContact CA-O 3.46Å; V468-T479 PolarHBondContact N-O 3.36Å; V468-T479 PolarHBondContact O-N 2.83Å; W470-T479 WeakPolarHBondContact CZ2-OG1 3.33Å; W470-T479 PolarHBondContact NE1-OG1 3.41Å; E477-T479 WeakPolarHBondContact O-CG2 3.5Å; E477-T479 PolarHBondContact O-N 2.91Å; T479-E481 PolarHBondContact OG1-OE1 3.14Å
480	W	92.4	Very high	90	Very high	67 Å²	67	76.7 Å²	76.7	25%	0.254	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	108.2	175.5	-76	101.9	0	0	0	110.4	R454 R460 F466 K467	R454-W480 HydrophobicContact CB-CH2 3.98Å; R454-W480 HydrophobicContact CB-CZ3 3.9Å; R454-W480 HydrophobicContact CG-CD2 4.26Å; R454-W480 HydrophobicContact CG-CE3 3.7Å; R454-W480 HydrophobicContact CG-CH2 3.99Å; R454-W480 HydrophobicContact CG-CZ3 3.56Å; R460-W480 VanDerWaalsContact NH1-CB 3.26Å; R460-W480 PolarHBondContact NH1-O 3.2Å; R460-W480 VanDerWaalsContact NH1-O 3.14Å; F466-W480 VanDerWaalsContact C-CE3 3.45Å; F466-W480 CarbonylContact O-C 3.59Å; F466-W480 WeakPolarHBondContact O-CA 3.34Å; K467-W480 HydrophobicContact CB-CD2 3.87Å; K467-W480 HydrophobicContact CB-CE3 3.76Å; K467-W480 HydrophobicContact CB-CH2 3.82Å; K467-W480 HydrophobicContact CB-CZ2 3.92Å; K467-W480 HydrophobicContact CB-CZ3 3.73Å; K467-W480 HydrophobicContact CD-CZ2 4.11Å; K467-W480 HydrophobicContact CG-CD2 4.15Å; K467-W480 HydrophobicContact CG-CZ2 4.28Å; K467-W480 VanDerWaalsContact N-CE3 3.33Å
481	E	92.7	Very high	89.9	Confident	46 Å²	46	79 Å²	79	22%	0.215	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	139.1	-178.9	-61.6	-52.1	134.8	0	0	111.8	Y465 F466 V468 W470 T479 N485 L486	Y465-E481 CarbonylContact C-O 3.57Å; Y465-E481 VanDerWaalsContact CA-O 3.23Å; Y465-E481 WeakPolarHBondContact CA-O 3.43Å; Y465-E481 VanDerWaalsContact CD1-C 3.46Å; F466-E481 PolarHBondContact N-O 3.21Å; F466-E481 PolarHBondContact O-N 2.8Å; V468-E481 HydrophobicContact CB-CG 4.49Å; V468-E481 HydrophobicContact CG2-CB 3.92Å; V468-E481 HydrophobicContact CG2-CG 3.68Å; W470-E481 HydrophobicContact CH2-CG 4.45Å; W470-E481 HydrophobicContact CZ2-CG 4.06Å; T479-E481 PolarHBondContact OG1-OE1 3.14Å; E481-N485 PolarHBondContact OE2-ND2 3.16Å; E481-L486 HydrophobicContact CB-CD1 4.36Å; E481-L486 HydrophobicContact CB-CD2 4.27Å; E481-L486 HydrophobicContact CB-CG 4.24Å
482	P	92.5	Very high	89.9	Confident	24 Å²	24	77.8 Å²	77.8	16%	0.156	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	149.6	175.4	28	-32.3	0	0	0	110.5	Y465 D484 N485	Y465-P482 HydrophobicContact CD1-CB 3.96Å; Y465-P482 VanDerWaalsContact CD1-N 3.28Å; Y465-P482 HydrophobicContact CE1-CB 3.54Å; Y465-P482 HydrophobicContact CE1-CG 4.03Å; Y465-P482 HydrophobicContact CE2-CB 4.4Å; P482-D484 PolarHBondContact O-N 3.38Å; P482-D484 VanDerWaalsContact O-N 3.12Å; P482-N485 WeakPolarHBondContact CD-ND2 3.34Å; P482-N485 HydrophobicContact CG-CB 3.9Å; P482-N485 WeakPolarHBondContact CG-ND2 3.48Å; P482-N485 WeakPolarHBondContact O-CB 3.44Å; P482-N485 PolarHBondContact O-N 3.05Å
483	I	91.8	Very high	90.1	Very high	47 Å²	47	69 Å²	69	24%	0.241	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-54.5	-34.8	179.8	-169.7	168.4	0	0	0	113.2	L415 V464 F466 N485 L486 I493	L415-I483 HydrophobicContact CD2-CD1 4.08Å; V464-I483 HydrophobicContact CB-CB 4.37Å; V464-I483 HydrophobicContact CB-CG2 4.32Å; V464-I483 PolarHBondContact O-N 2.78Å; F466-I483 HydrophobicContact CD2-CB 4.47Å; F466-I483 HydrophobicContact CE2-CB 4.2Å; F466-I483 HydrophobicContact CE2-CD1 3.93Å; F466-I483 HydrophobicContact CE2-CG1 3.9Å; I483-N485 VanDerWaalsContact C-N 3.26Å; I483-N485 PolarHBondContact O-N 2.93Å; I483-L486 PolarHBondContact O-N 2.92Å; I483-L486 VanDerWaalsContact O-N 3.14Å; I483-I493 HydrophobicContact CG1-CD1 4.42Å
484	D	89.7	Confident	90.3	Very high	94 Å²	94	67 Å²	67	50%	0.503	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-61.4	-33.4	177.8	-64.2	-20.1	0	0	0	112.2	K461 P482 L486 S487	K461-D484 IonicContact NZ-OD2 3.21Å; K461-D484 PolarHBondContact NZ-OD2 2.77Å; P482-D484 PolarHBondContact O-N 3.38Å; P482-D484 VanDerWaalsContact O-N 3.12Å; D484-L486 VanDerWaalsContact C-N 3.29Å; D484-L486 PolarHBondContact O-N 3.04Å; D484-S487 PolarHBondContact O-OG 3.05Å
485	N	89.7	Confident	90.4	Very high	99 Å²	99	70.3 Å²	70.3	53%	0.529	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-76.8	-15.3	179.4	-72.8	9.3	0	0	0	112.9	E481 P482 I483	E481-N485 PolarHBondContact OE2-ND2 3.16Å; P482-N485 WeakPolarHBondContact CD-ND2 3.34Å; P482-N485 HydrophobicContact CG-CB 3.9Å; P482-N485 WeakPolarHBondContact CG-ND2 3.48Å; P482-N485 WeakPolarHBondContact O-CB 3.44Å; P482-N485 PolarHBondContact O-N 3.05Å; I483-N485 VanDerWaalsContact C-N 3.26Å; I483-N485 PolarHBondContact O-N 2.93Å
486	L	89.1	Confident	90.8	Very high	7 Å²	7	66.9 Å²	66.9	4%	0.037	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-102.2	21.3	-179.2	-61.3	176.1	0	0	0	111.9	V447 L450 F466 V468 E481 I483 D484 D488 C489 I493	V447-L486 HydrophobicContact CG2-CD2 4.36Å; L450-L486 HydrophobicContact CD1-CD1 4.43Å; L450-L486 HydrophobicContact CD2-CD1 3.87Å; F466-L486 HydrophobicContact CB-CD1 3.71Å; F466-L486 HydrophobicContact CD2-CD1 3.95Å; F466-L486 HydrophobicContact CG-CD1 4.17Å; V468-L486 HydrophobicContact CG2-CD1 4.2Å; V468-L486 HydrophobicContact CG2-CD2 4.07Å; E481-L486 HydrophobicContact CB-CD1 4.36Å; E481-L486 HydrophobicContact CB-CD2 4.27Å; E481-L486 HydrophobicContact CB-CG 4.24Å; I483-L486 PolarHBondContact O-N 2.92Å; I483-L486 VanDerWaalsContact O-N 3.14Å; D484-L486 VanDerWaalsContact C-N 3.29Å; D484-L486 PolarHBondContact O-N 3.04Å; L486-D488 PolarHBondContact O-N 3Å; L486-C489 PolarHBondContact O-N 2.8Å; L486-C489 VanDerWaalsContact O-N 3.09Å; L486-I493 HydrophobicContact CB-CD1 4.07Å
487	S	84.6	Confident	91.1	Very high	82 Å²	82	58.2 Å²	58.2	57%	0.573	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.4	179.6	40.8	0	0	0	0	112.9	D484 C489	D484-S487 PolarHBondContact O-OG 3.05Å; S487-C489 VanDerWaalsContact C-N 3.32Å
488	D	83.5	Confident	91.3	Very high	146 Å²	146	56.3 Å²	56.3	78%	0.781	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-9.3	176.7	-57.8	-40.5	0	0	0	113.5	L486 P490	L486-D488 PolarHBondContact O-N 3Å; D488-P490 WeakPolarHBondContact O-CD 3.48Å
489	C	85.8	Confident	91.4	Very high	36 Å²	36	58.7 Å²	58.7	24%	0.243	30%	0.304	C	S	.	.			trans	-122.6	50.3	-177.9	-57.4	0	0	0	0	113.7	L486 S487 L491 K492 I493	L486-C489 PolarHBondContact O-N 2.8Å; L486-C489 VanDerWaalsContact O-N 3.09Å; S487-C489 VanDerWaalsContact C-N 3.32Å; C489-L491 PolarHBondContact O-N 3.24Å; C489-K492 HydrophobicContact CB-CB 4.11Å; C489-K492 HydrophobicContact CB-CG 4.06Å; C489-K492 PolarHBondContact O-N 2.86Å; C489-K492 VanDerWaalsContact O-N 3.08Å; C489-I493 PolarHBondContact O-N 2.97Å
490	P	88.2	Confident	91.5	Very high	44 Å²	44	56.4 Å²	56.4	29%	0.286	29%	0.291	S	S	.	.	H	α-helix	trans	-63	-30.1	-175.1	27.6	-35.3	0	0	0	112.9	D488 I493 R494	D488-P490 WeakPolarHBondContact O-CD 3.48Å; P490-I493 PolarHBondContact O-N 3.42Å; P490-R494 WeakPolarHBondContact O-CB 3.34Å; P490-R494 PolarHBondContact O-N 3.01Å
491	L	90.3	Very high	91.6	Very high	84 Å²	84	56.7 Å²	56.7	44%	0.44	29%	0.292	S	S	.	.	H	α-helix	trans	-64.8	-41.6	175.4	-66.6	177.3	0	0	0	111.6	C489 I493 R494 E495	C489-L491 PolarHBondContact O-N 3.24Å; L491-I493 VanDerWaalsContact C-N 3.34Å; L491-I493 PolarHBondContact O-N 3.29Å; L491-R494 WeakPolarHBondContact O-CB 3.45Å; L491-R494 PolarHBondContact O-N 3.18Å; L491-E495 WeakPolarHBondContact O-CG 3.45Å; L491-E495 PolarHBondContact O-N 2.79Å
492	K	92.4	Very high	91.7	Very high	68 Å²	68	62.4 Å²	62.4	30%	0.296	32%	0.316	S	S	.	.	H	α-helix	trans	-65.4	-37.6	176.8	-60.7	-65.7	-175.6	173.4	0	111.9	V447 Q448 L450 C489 F496	V447-K492 HydrophobicContact CG1-CG 4.43Å; Q448-K492 PolarHBondContact O-NZ 2.79Å; L450-K492 HydrophobicContact CD1-CB 4.41Å; L450-K492 HydrophobicContact CG-CB 4.34Å; C489-K492 HydrophobicContact CB-CB 4.11Å; C489-K492 HydrophobicContact CB-CG 4.06Å; C489-K492 PolarHBondContact O-N 2.86Å; C489-K492 VanDerWaalsContact O-N 3.08Å; K492-F496 WeakPolarHBondContact O-CB 2.87Å; K492-F496 PolarHBondContact O-N 2.82Å; K492-F496 VanDerWaalsContact O-N 3.08Å
493	I	93.3	Very high	91.8	Very high	5 Å²	5	68.9 Å²	68.9	3%	0.026	34%	0.338	C	S	.	.	H	α-helix	trans	-63.1	-47.3	171.9	-62.2	174.7	0	0	0	110.2	Y419 L450 F466 I483 L486 C489 P490 L491 E495 F496 V497	Y419-I493 HydrophobicContact CD2-CG2 4.28Å; Y419-I493 HydrophobicContact CE2-CG2 3.74Å; L450-I493 HydrophobicContact CD1-CB 4.38Å; L450-I493 HydrophobicContact CD1-CG1 3.81Å; F466-I493 HydrophobicContact CE2-CG2 4.41Å; F466-I493 HydrophobicContact CZ-CG2 4.05Å; I483-I493 HydrophobicContact CG1-CD1 4.42Å; L486-I493 HydrophobicContact CB-CD1 4.07Å; C489-I493 PolarHBondContact O-N 2.97Å; P490-I493 PolarHBondContact O-N 3.42Å; L491-I493 VanDerWaalsContact C-N 3.34Å; L491-I493 PolarHBondContact O-N 3.29Å; I493-E495 PolarHBondContact O-N 2.88Å; I493-F496 PolarHBondContact O-N 3.48Å; I493-V497 HydrophobicContact CG2-CG2 4.15Å; I493-V497 VanDerWaalsContact O-CG2 3.27Å; I493-V497 WeakPolarHBondContact O-CG2 3.16Å; I493-V497 PolarHBondContact O-N 3.27Å
494	R	93.2	Very high	92	Very high	57 Å²	57	70.1 Å²	70.1	22%	0.215	34%	0.341	C	S	.	.	H	α-helix	trans	-58.3	-48.7	178.5	-175.7	178.5	-171.9	169.3	3.2	111.6	Y419 P490 L491 F496 V497 Q498	Y419-R494 HydrophobicContact CD1-CB 3.96Å; Y419-R494 HydrophobicContact CD1-CG 4.23Å; P490-R494 WeakPolarHBondContact O-CB 3.34Å; P490-R494 PolarHBondContact O-N 3.01Å; L491-R494 WeakPolarHBondContact O-CB 3.45Å; L491-R494 PolarHBondContact O-N 3.18Å; R494-F496 PolarHBondContact O-N 2.94Å; R494-V497 PolarHBondContact O-N 3.2Å; R494-Q498 HydrophobicContact CG-CG 4.29Å; R494-Q498 VanDerWaalsContact NE-NE2 3.12Å; R494-Q498 WeakPolarHBondContact O-CB 3.09Å; R494-Q498 VanDerWaalsContact O-CG 3.27Å; R494-Q498 WeakPolarHBondContact O-CG 3.29Å; R494-Q498 PolarHBondContact O-N 3.23Å
495	E	94.3	Very high	92.4	Very high	108 Å²	108	66.9 Å²	66.9	51%	0.505	32%	0.323	S	S	.	.	H	α-helix	trans	-56.3	-48.1	177	-74.7	173.2	-177.4	0	0	111.7	L491 I493 E499	L491-E495 WeakPolarHBondContact O-CG 3.45Å; L491-E495 PolarHBondContact O-N 2.79Å; I493-E495 PolarHBondContact O-N 2.88Å; E495-E499 WeakPolarHBondContact O-CB 3.2Å; E495-E499 PolarHBondContact O-N 3.44Å
496	F	96.1	Very high	92.8	Very high	22 Å²	22	62.1 Å²	62.1	10%	0.096	30%	0.298	C	S	.	.	H	α-helix	trans	-63.2	-45.6	178.5	176.9	-92	0	0	0	112.5	W412 L450 I453 F466 K492 I493 R494 G500 I505	W412-F496 HydrophobicContact CZ3-CE1 4.45Å; L450-F496 HydrophobicContact CB-CB 3.94Å; L450-F496 HydrophobicContact CB-CD2 3.95Å; L450-F496 HydrophobicContact CB-CG 4Å; L450-F496 HydrophobicContact CD1-CB 4.27Å; L450-F496 VanDerWaalsContact O-CD2 3.22Å; L450-F496 WeakPolarHBondContact O-CD2 3.44Å; I453-F496 HydrophobicContact CB-CE1 3.72Å; I453-F496 HydrophobicContact CB-CZ 3.89Å; I453-F496 HydrophobicContact CD1-CE1 4.49Å; I453-F496 HydrophobicContact CG2-CE1 3.83Å; I453-F496 HydrophobicContact CG2-CZ 3.87Å; F466-F496 AromaticContact CD1-CD1 3.88Å; F466-F496 HydrophobicContact CD1-CD1 3.88Å; F466-F496 AromaticContact CD1-CE1 3.94Å; F466-F496 HydrophobicContact CD1-CE1 3.94Å; F466-F496 HydrophobicContact CD1-CG 4.48Å; F466-F496 AromaticContact CE1-CD1 3.49Å; F466-F496 HydrophobicContact CE1-CD1 3.49Å; F466-F496 VanDerWaalsContact CE1-CD1 3.49Å; F466-F496 AromaticContact CE1-CE1 3.67Å; F466-F496 HydrophobicContact CE1-CE1 3.67Å; F466-F496 HydrophobicContact CE1-CG 4.4Å; K492-F496 WeakPolarHBondContact O-CB 2.87Å; K492-F496 PolarHBondContact O-N 2.82Å; K492-F496 VanDerWaalsContact O-N 3.08Å; I493-F496 PolarHBondContact O-N 3.48Å; R494-F496 PolarHBondContact O-N 2.94Å; F496-G500 WeakPolarHBondContact O-CA 3.25Å; F496-G500 PolarHBondContact O-N 2.89Å; F496-I505 HydrophobicContact CE1-CD1 3.92Å; F496-I505 HydrophobicContact CE2-CD1 4.14Å; F496-I505 HydrophobicContact CZ-CD1 3.5Å
497	V	95.9	Very high	93.2	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.5	-44.3	-179.2	173.9	0	0	0	0	110.6	W412 L415 Y419 V420 I493 R494 G500 R501	W412-V497 HydrophobicContact CH2-CB 4.45Å; W412-V497 HydrophobicContact CH2-CG1 4.14Å; W412-V497 HydrophobicContact CZ3-CB 4.33Å; W412-V497 HydrophobicContact CZ3-CG1 4.11Å; W412-V497 HydrophobicContact CZ3-CG2 4.06Å; L415-V497 HydrophobicContact CB-CG1 4.45Å; L415-V497 HydrophobicContact CB-CG2 4.32Å; Y419-V497 HydrophobicContact CD2-CG2 4.21Å; V420-V497 HydrophobicContact CG2-CG1 4.06Å; I493-V497 HydrophobicContact CG2-CG2 4.15Å; I493-V497 VanDerWaalsContact O-CG2 3.27Å; I493-V497 WeakPolarHBondContact O-CG2 3.16Å; I493-V497 PolarHBondContact O-N 3.27Å; R494-V497 PolarHBondContact O-N 3.2Å; V497-G500 PolarHBondContact O-N 2.79Å; V497-R501 VanDerWaalsContact O-CB 3.29Å; V497-R501 WeakPolarHBondContact O-CB 3.5Å; V497-R501 PolarHBondContact O-N 3.4Å
498	Q	95.3	Very high	93.9	Very high	75 Å²	75	58.9 Å²	58.9	35%	0.35	27%	0.274	S	S	.	.	H	α-helix	trans	-65.1	-47.5	179.4	-71.9	-179.4	-13	0	0	112	Y419 V420 R494 R501 K502	Y419-Q498 PolarHBondContact O-NE2 2.79Å; V420-Q498 HydrophobicContact CG2-CG 4.21Å; R494-Q498 HydrophobicContact CG-CG 4.29Å; R494-Q498 VanDerWaalsContact NE-NE2 3.12Å; R494-Q498 WeakPolarHBondContact O-CB 3.09Å; R494-Q498 VanDerWaalsContact O-CG 3.27Å; R494-Q498 WeakPolarHBondContact O-CG 3.29Å; R494-Q498 PolarHBondContact O-N 3.23Å; Q498-R501 PolarHBondContact O-N 2.86Å; Q498-K502 WeakPolarHBondContact O-CB 3.4Å; Q498-K502 PolarHBondContact O-N 2.73Å
499	E	95	Very high	94.5	Very high	70 Å²	70	55.4 Å²	55.4	33%	0.327	26%	0.26	S	S	.	.	H	α-helix	trans	-67.9	-39.7	177.8	-175.4	62.8	-176.3	0	0	111.4	E495 R501 K502 R503	E495-E499 WeakPolarHBondContact O-CB 3.2Å; E495-E499 PolarHBondContact O-N 3.44Å; E499-R501 PolarHBondContact O-N 3.18Å; E499-K502 PolarHBondContact O-N 2.87Å; E499-R503 WeakPolarHBondContact O-CB 3.03Å; E499-R503 WeakPolarHBondContact O-CG 3.47Å; E499-R503 PolarHBondContact O-N 3.29Å; E499-R503 IonicContact OE1-CZ 3.94Å; E499-R503 IonicContact OE1-NE 2.76Å; E499-R503 PolarHBondContact OE1-NE 3.17Å; E499-R503 IonicContact OE1-NH2 2.72Å; E499-R503 PolarHBondContact OE1-NH2 3.13Å
500	G	95.5	Very high	95	Very high	4 Å²	4	57 Å²	57	4%	0.041	28%	0.282	C	S	.	.	H	α-helix	trans	-60.5	-42.9	175.2	0	0	0	0	0	112.4	F496 V497 K504 I505	F496-G500 WeakPolarHBondContact O-CA 3.25Å; F496-G500 PolarHBondContact O-N 2.89Å; V497-G500 PolarHBondContact O-N 2.79Å; G500-K504 WeakPolarHBondContact O-CA 3.48Å; G500-K504 PolarHBondContact O-N 2.91Å; G500-I505 PolarHBondContact O-N 2.97Å
501	R	94.3	Very high	95.5	Very high	72 Å²	72	55.6 Å²	55.6	27%	0.272	27%	0.272	S	S	.	.	H	α-helix	trans	-64.7	-43.6	175.1	179.8	59.8	-176.2	147.6	-1.2	111.5	W412 V420 V497 Q498 E499 K504 L508 D511	W412-R501 HydrophobicContact CZ2-CB 4.31Å; V420-R501 HydrophobicContact CG2-CB 4.25Å; V420-R501 HydrophobicContact CG2-CG 4.37Å; V497-R501 VanDerWaalsContact O-CB 3.29Å; V497-R501 WeakPolarHBondContact O-CB 3.5Å; V497-R501 PolarHBondContact O-N 3.4Å; Q498-R501 PolarHBondContact O-N 2.86Å; E499-R501 PolarHBondContact O-N 3.18Å; R501-K504 PolarHBondContact O-N 2.89Å; R501-L508 VanDerWaalsContact CZ-CD1 3.47Å; R501-D511 IonicContact CZ-OD2 2.96Å; R501-D511 IonicContact NH1-OD1 3.52Å; R501-D511 IonicContact NH1-OD2 2.65Å; R501-D511 PolarHBondContact NH1-OD2 2.95Å; R501-D511 IonicContact NH2-OD2 3.04Å
502	K	94.9	Very high	95.8	Very high	166 Å²	166	51.9 Å²	51.9	72%	0.722	25%	0.253	S	S	*	.	H	α-helix	trans	-62.4	-43.6	178	-176.9	-177.7	175.8	-173	0	112.2	Q498 E499 K504	Q498-K502 WeakPolarHBondContact O-CB 3.4Å; Q498-K502 PolarHBondContact O-N 2.73Å; E499-K502 PolarHBondContact O-N 2.87Å; K502-K504 VanDerWaalsContact C-N 3.28Å
503	R	95.2	Very high	96.2	Very high	161 Å²	161	49.7 Å²	49.7	61%	0.608	24%	0.244	S	C	*	.	H	α-helix	trans	-78.2	-12.8	176.2	-67.3	-171.5	-173.7	-166.6	4.1	113.7	R375 E499 I505	R375-R503 PolarHBondContact NH2-O 2.72Å; R375-R503 VanDerWaalsContact NH2-O 3.11Å; E499-R503 WeakPolarHBondContact O-CB 3.03Å; E499-R503 WeakPolarHBondContact O-CG 3.47Å; E499-R503 PolarHBondContact O-N 3.29Å; E499-R503 IonicContact OE1-CZ 3.94Å; E499-R503 IonicContact OE1-NE 2.76Å; E499-R503 PolarHBondContact OE1-NE 3.17Å; E499-R503 IonicContact OE1-NH2 2.72Å; E499-R503 PolarHBondContact OE1-NH2 3.13Å; R503-I505 HydrophobicContact CB-CG2 4.03Å
504	K	96.4	Very high	96.4	Very high	73 Å²	73	49.5 Å²	49.5	32%	0.317	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	51.4	-170.9	-51.2	-169.6	178.8	-159.5	0	112.5	W376 G500 R501 K502 L506 D511	W376-K504 HydrophobicContact CZ2-CB 4.04Å; W376-K504 WeakPolarHBondContact CZ2-O 3.34Å; W376-K504 PolarHBondContact NE1-O 3.06Å; G500-K504 WeakPolarHBondContact O-CA 3.48Å; G500-K504 PolarHBondContact O-N 2.91Å; R501-K504 PolarHBondContact O-N 2.89Å; K502-K504 VanDerWaalsContact C-N 3.28Å; K504-L506 PolarHBondContact O-N 2.88Å; K504-D511 WeakPolarHBondContact CE-OD1 3.22Å; K504-D511 IonicContact NZ-OD1 3.82Å; K504-D511 PolarHBondContact NZ-OD1 2.96Å
505	I	97.4	Very high	96.7	Very high	25 Å²	25	46.8 Å²	46.8	13%	0.128	23%	0.233	C	C	.	.	S	Bend	trans	-62.4	-25.1	177.5	66.5	175.1	0	0	0	112.6	W376 W412 F496 G500 R503	W376-I505 PolarHBondContact NE1-O 2.86Å; W412-I505 HydrophobicContact CH2-CD1 4.37Å; W412-I505 HydrophobicContact CH2-CG1 4.42Å; W412-I505 HydrophobicContact CZ2-CG1 4.38Å; F496-I505 HydrophobicContact CE1-CD1 3.92Å; F496-I505 HydrophobicContact CE2-CD1 4.14Å; F496-I505 HydrophobicContact CZ-CD1 3.5Å; G500-I505 PolarHBondContact O-N 2.97Å; R503-I505 HydrophobicContact CB-CG2 4.03Å
506	L	98	Very high	96.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-133.8	139.7	172.3	-74.3	172.6	0	0	0	109	F405 L408 L409 W412 I453 K504	F405-L506 HydrophobicContact CD2-CD2 4.46Å; F405-L506 HydrophobicContact CE2-CD2 3.79Å; L408-L506 HydrophobicContact CD1-CD1 4.16Å; L408-L506 HydrophobicContact CD2-CD1 3.86Å; L408-L506 HydrophobicContact CD2-CD2 3.93Å; L408-L506 HydrophobicContact CG-CD1 3.85Å; L409-L506 HydrophobicContact CD2-CB 4.4Å; L409-L506 HydrophobicContact CD2-CD2 4.2Å; W412-L506 HydrophobicContact CB-CD1 4.04Å; W412-L506 HydrophobicContact CD2-CB 4.13Å; W412-L506 HydrophobicContact CD2-CD1 3.8Å; W412-L506 HydrophobicContact CE3-CD1 4.1Å; W412-L506 HydrophobicContact CG-CB 3.94Å; W412-L506 HydrophobicContact CG-CD1 3.75Å; W412-L506 PolarHBondContact NE1-O 3.42Å; I453-L506 HydrophobicContact CG2-CD1 3.71Å; K504-L506 PolarHBondContact O-N 2.88Å
507	P	98.1	Very high	97	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-75.7	142.7	178.9	30.1	-33.6	0	0	0	112	W376 F405 L409 D511 V512 L555	W376-P507 HydrophobicContact CD2-CB 4.23Å; W376-P507 HydrophobicContact CD2-CG 4.16Å; W376-P507 HydrophobicContact CE3-CB 4.29Å; W376-P507 HydrophobicContact CE3-CG 4.45Å; W376-P507 HydrophobicContact CG-CG 4.46Å; W376-P507 HydrophobicContact CH2-CB 4.07Å; W376-P507 HydrophobicContact CZ2-CB 3.99Å; W376-P507 HydrophobicContact CZ3-CB 4.23Å; F405-P507 HydrophobicContact CZ-CG 4.13Å; L409-P507 HydrophobicContact CD1-CG 4.42Å; L409-P507 HydrophobicContact CD2-CG 3.87Å; L409-P507 WeakPolarHBondContact CD2-O 3.44Å; P507-D511 HydrophobicContact CB-CB 4.25Å; P507-V512 HydrophobicContact CB-CG2 3.41Å; P507-V512 VanDerWaalsContact CB-CG2 3.41Å; P507-V512 HydrophobicContact CG-CG2 4.09Å; P507-L555 HydrophobicContact CB-CD2 4.41Å; P507-L555 HydrophobicContact CG-CD1 4.4Å
508	L	97.9	Very high	97.1	Very high	21 Å²	21	41.6 Å²	41.6	11%	0.11	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-103.7	164.8	159.3	-66.5	-177.4	0	0	0	109.8	W412 A413 C416 R501 G510 D511	W412-L508 VanDerWaalsContact CD1-CD2 3.46Å; W412-L508 HydrophobicContact CG-CD2 4.37Å; A413-L508 HydrophobicContact CB-CD2 3.8Å; C416-L508 HydrophobicContact CB-CD1 4.17Å; R501-L508 VanDerWaalsContact CZ-CD1 3.47Å; L508-G510 PolarHBondContact O-N 3.23Å; L508-D511 WeakPolarHBondContact CB-OD2 3.44Å; L508-D511 PolarHBondContact N-OD2 3.49Å; L508-D511 VanDerWaalsContact O-CB 3.28Å; L508-D511 WeakPolarHBondContact O-CB 3.48Å; L508-D511 PolarHBondContact O-N 2.86Å
509	P	97.8	Very high	97.1	Very high	73 Å²	73	38 Å²	38	47%	0.474	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	129.5	173.3	-28.5	36.3	0	0	0	111.8	Y554	P509-Y554 HydrophobicContact CG-CD1 4.5Å; P509-Y554 HydrophobicContact CG-CE1 4.1Å; P509-Y554 WeakPolarHBondContact CG-O 3.36Å
510	G	95.6	Very high	97	Very high	68 Å²	68	37.2 Å²	37.2	70%	0.701	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.4	-9	-174.3	0	0	0	0	0	116.2	L508	L508-G510 PolarHBondContact O-N 3.23Å
511	D	97.9	Very high	96.5	Very high	16 Å²	16	37.5 Å²	37.5	9%	0.086	20%	0.2	C	C	.	.	S	Bend	trans	-81.6	-19.2	175.2	-74.7	-42.9	0	0	0	114	T346 W376 R501 K504 P507 L508	T346-D511 PolarHBondContact OG1-O 2.94Å; W376-D511 HydrophobicContact CH2-CB 4.25Å; R501-D511 IonicContact CZ-OD2 2.96Å; R501-D511 IonicContact NH1-OD1 3.52Å; R501-D511 IonicContact NH1-OD2 2.65Å; R501-D511 PolarHBondContact NH1-OD2 2.95Å; R501-D511 IonicContact NH2-OD2 3.04Å; K504-D511 WeakPolarHBondContact CE-OD1 3.22Å; K504-D511 IonicContact NZ-OD1 3.82Å; K504-D511 PolarHBondContact NZ-OD1 2.96Å; P507-D511 HydrophobicContact CB-CB 4.25Å; L508-D511 WeakPolarHBondContact CB-OD2 3.44Å; L508-D511 PolarHBondContact N-OD2 3.49Å; L508-D511 VanDerWaalsContact O-CB 3.28Å; L508-D511 WeakPolarHBondContact O-CB 3.48Å; L508-D511 PolarHBondContact O-N 2.86Å
512	V	98.5	Very high	95.8	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.03	22%	0.216	C	C	.	.			trans	-104.6	119.5	-175.6	-173	0	0	0	0	110.1	T346 L348 W376 P507 V514 I515 L555 P557	T346-V512 WeakPolarHBondContact OG1-CA 3.45Å; L348-V512 HydrophobicContact CB-CG1 3.73Å; L348-V512 HydrophobicContact CB-CG2 4.46Å; W376-V512 HydrophobicContact CE3-CG2 4.11Å; W376-V512 HydrophobicContact CH2-CG2 4.34Å; W376-V512 HydrophobicContact CZ3-CB 4.42Å; W376-V512 HydrophobicContact CZ3-CG2 3.69Å; P507-V512 HydrophobicContact CB-CG2 3.41Å; P507-V512 VanDerWaalsContact CB-CG2 3.41Å; P507-V512 HydrophobicContact CG-CG2 4.09Å; V512-V514 WeakPolarHBondContact CG1-O 3.44Å; V512-I515 HydrophobicContact CG1-CG1 3.77Å; V512-L555 HydrophobicContact CG2-CD1 4.07Å; V512-P557 HydrophobicContact CG1-CB 4.41Å; V512-P557 WeakPolarHBondContact O-CA 3.34Å
513	D	98.7	Very high	94.9	Very high	23 Å²	23	32.4 Å²	32.4	12%	0.123	18%	0.182	C	C	.	.	S	Bend	trans	-80.2	-41.8	175.3	-66.4	-79.6	0	0	0	111.9	A345 T346 K558 Y559 Y873	A345-D513 WeakPolarHBondContact CA-OD2 3.22Å; A345-D513 HydrophobicContact CB-CB 4.14Å; T346-D513 PolarHBondContact N-OD2 3.45Å; T346-D513 WeakPolarHBondContact O-CB 3.42Å; T346-D513 PolarHBondContact O-N 2.79Å; T346-D513 PolarHBondContact OG1-N 3.26Å; T346-D513 PolarHBondContact OG1-OD2 3.08Å; D513-K558 HydrophobicContact CB-CD 4.5Å; D513-K558 WeakPolarHBondContact O-CA 3.27Å; D513-K558 VanDerWaalsContact O-CB 3.3Å; D513-K558 WeakPolarHBondContact O-CB 3.45Å; D513-K558 PolarHBondContact O-N 2.83Å; D513-K558 WeakPolarHBondContact OD1-CD 2.9Å; D513-K558 WeakPolarHBondContact OD1-CE 2.87Å; D513-K558 IonicContact OD1-NZ 2.81Å; D513-K558 PolarHBondContact OD1-NZ 2.93Å; D513-Y559 PolarHBondContact O-N 2.97Å; D513-Y873 HydrophobicContact CB-CE2 4.04Å; D513-Y873 PolarHBondContact OD1-OH 2.9Å
514	V	98.9	Very high	94.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	133.7	-175.6	-170.9	0	0	0	0	109.7	T346 L347 L348 L372 V512 Y559 L869	T346-V514 PolarHBondContact O-N 3.39Å; L347-V514 WeakPolarHBondContact CA-O 3.07Å; L347-V514 HydrophobicContact CD1-CB 3.71Å; L347-V514 HydrophobicContact CD1-CG1 3.62Å; L347-V514 WeakPolarHBondContact CD1-O 3.46Å; L348-V514 PolarHBondContact N-O 3.36Å; L372-V514 HydrophobicContact CD1-CB 4.49Å; L372-V514 HydrophobicContact CD1-CG2 3.92Å; V512-V514 WeakPolarHBondContact CG1-O 3.44Å; V514-Y559 WeakPolarHBondContact CA-O 3.23Å; V514-Y559 HydrophobicContact CG2-CD2 4.42Å; V514-L869 HydrophobicContact CG1-CD2 4.02Å; V514-L869 HydrophobicContact CG2-CD1 4.47Å; V514-L869 HydrophobicContact CG2-CD2 4.18Å
515	I	98.9	Very high	92.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.3	164.2	-66.6	-179	0	0	0	108.3	L348 L350 V512 F548 I551 V552 L555 P557 Y559 V560 L561	L348-I515 HydrophobicContact CB-CG1 4.23Å; L348-I515 HydrophobicContact CD2-CD1 4.08Å; L348-I515 HydrophobicContact CD2-CG1 4.09Å; L348-I515 WeakPolarHBondContact O-CA 3.23Å; L350-I515 HydrophobicContact CD1-CG2 3.8Å; L350-I515 HydrophobicContact CG-CG2 4.32Å; V512-I515 HydrophobicContact CG1-CG1 3.77Å; I515-F548 HydrophobicContact CG2-CE2 4.03Å; I515-F548 HydrophobicContact CG2-CZ 4.2Å; I515-I551 HydrophobicContact CD1-CG2 4.32Å; I515-V552 HydrophobicContact CD1-CG2 4.22Å; I515-V552 HydrophobicContact CG2-CG2 4.21Å; I515-L555 HydrophobicContact CD1-CB 4.06Å; I515-L555 HydrophobicContact CD1-CD1 3.96Å; I515-P557 HydrophobicContact CB-CB 4.44Å; I515-P557 HydrophobicContact CB-CG 4.03Å; I515-P557 HydrophobicContact CD1-CB 4.17Å; I515-P557 HydrophobicContact CD1-CG 3.66Å; I515-P557 HydrophobicContact CG1-CB 3.85Å; I515-P557 HydrophobicContact CG1-CG 3.68Å; I515-Y559 PolarHBondContact N-O 2.95Å; I515-V560 CarbonylContact O-C 3.54Å; I515-V560 WeakPolarHBondContact O-CA 3.39Å; I515-L561 PolarHBondContact O-N 3.03Å
516	C	98.8	Very high	91.5	Very high	0 Å²	0	24 Å²	24	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	156.5	163	69.2	0	0	0	0	111.1	L347 L348 D349 L350 M357 L361 L561	L347-C516 HydrophobicContact CD1-CB 4.18Å; L348-C516 PolarHBondContact O-N 3.42Å; D349-C516 VanDerWaalsContact CG-SG 3.55Å; D349-C516 PolarHBondContact OD1-SG 2.82Å; D349-C516 VanDerWaalsContact OD1-SG 3.38Å; L350-C516 PolarHBondContact N-O 3.04Å; M357-C516 HydrophobicContact CE-CB 3.77Å; M357-C516 HydrophobicContact CG-CB 4.5Å; M357-C516 HydrophobicContact SD-CB 4.13Å; L361-C516 HydrophobicContact CD1-CB 3.81Å; C516-L561 CarbonylContact C-O 3.58Å; C516-L561 WeakPolarHBondContact CA-O 3.04Å; C516-L561 HydrophobicContact CB-CB 4.17Å
517	G	98.4	Very high	89.8	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.9	156	169	0	0	0	0	0	115.3	L350 M357 P519 L561 M562 E563	L350-G517 WeakPolarHBondContact O-CA 3.39Å; M357-G517 VanDerWaalsContact CE-CA 3.48Å; M357-G517 VanDerWaalsContact CE-N 3.34Å; G517-P519 WeakPolarHBondContact O-CD 3.33Å; G517-L561 PolarHBondContact N-O 2.82Å; G517-M562 WeakPolarHBondContact O-CA 3.47Å; G517-E563 PolarHBondContact O-N 2.8Å
518	G	97.1	Very high	88.5	Confident	22 Å²	22	32 Å²	32	23%	0.227	20%	0.2	C	C	.	.			trans	-114.9	73.7	178.5	0	0	0	0	0	111.7	L350 P520	L350-G518 PolarHBondContact O-N 3.07Å; G518-P520 WeakPolarHBondContact O-CD 3.49Å
519	P	96.8	Very high	86.9	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	21%	0.207	C	C	.	.			trans	-60.6	120.6	-174.8	23.4	-32.6	0	0	0	110.9	Y351 G517 C521 Q544 M545 F548 M562 N564	Y351-P519 HydrophobicContact CD2-CB 4.1Å; Y351-P519 HydrophobicContact CE2-CB 3.72Å; G517-P519 WeakPolarHBondContact O-CD 3.33Å; P519-C521 PolarHBondContact O-N 2.87Å; P519-C521 PolarHBondContact O-SG 2.92Å; P519-Q544 HydrophobicContact CB-CB 4.26Å; P519-M545 HydrophobicContact CG-CE 3.99Å; P519-M545 HydrophobicContact CG-SD 4.2Å; P519-F548 HydrophobicContact CB-CB 4.16Å; P519-F548 HydrophobicContact CG-CB 4.24Å; P519-F548 HydrophobicContact CG-CG 4.26Å; P519-M562 HydrophobicContact CG-CG 4.03Å; P519-M562 HydrophobicContact CG-SD 4.23Å; P519-N564 PolarHBondContact O-ND2 3.38Å
520	P	91.5	Very high	85.4	Confident	53 Å²	53	34.9 Å²	34.9	34%	0.344	20%	0.203	S	C	.	.			trans	-67	125.3	-176.7	26.3	-33.7	0	0	0	110.4	G518 Q544	G518-P520 WeakPolarHBondContact O-CD 3.49Å; P520-Q544 HydrophobicContact CG-CB 4.14Å; P520-Q544 HydrophobicContact CG-CG 3.92Å
521	C	85.3	Confident	84.1	Confident	9 Å²	9	39.1 Å²	39.1	6%	0.061	20%	0.198	C	C	.	.			trans	-118.4	78.6	176.8	-63.4	0	0	0	0	108.8	P519 G523 I524 L576	P519-C521 PolarHBondContact O-N 2.87Å; P519-C521 PolarHBondContact O-SG 2.92Å; C521-G523 VanDerWaalsContact C-N 3.27Å; C521-G523 PolarHBondContact O-N 2.87Å; C521-I524 HydrophobicContact CB-CD1 3.84Å; C521-I524 WeakPolarHBondContact O-CG1 3.46Å; C521-L576 HydrophobicContact CB-CD1 3.88Å
522	Q	79.8	Confident	83	Confident	131 Å²	131	42.9 Å²	42.9	61%	0.612	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-9	-173.2	-64	-178.8	-6.8	0	0	113.1	I524 N528 K541	Q522-I524 VanDerWaalsContact C-N 3.27Å; Q522-I524 PolarHBondContact O-N 2.98Å; Q522-N528 PolarHBondContact O-ND2 3.33Å; Q522-K541 HydrophobicContact CB-CB 4.34Å; Q522-K541 PolarHBondContact N-O 3.4Å; Q522-K541 VanDerWaalsContact N-O 3.13Å
523	G	76.4	Confident	82.1	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-2.1	-178.9	0	0	0	0	0	114.7	C521 N528 N542	C521-G523 VanDerWaalsContact C-N 3.27Å; C521-G523 PolarHBondContact O-N 2.87Å; G523-N528 CarbonylContact O-C 3.51Å; G523-N528 VanDerWaalsContact O-CB 3.23Å; G523-N528 WeakPolarHBondContact O-CB 3.44Å; G523-N528 VanDerWaalsContact O-O 3.11Å; G523-N542 WeakPolarHBondContact CA-OD1 3.44Å; G523-N542 PolarHBondContact N-OD1 3.02Å; G523-N542 VanDerWaalsContact N-OD1 3.13Å
524	I	78.6	Confident	81.1	Confident	1 Å²	1	55 Å²	55	1%	0.005	27%	0.273	C	S	.	.	S	Bend	trans	-112.4	-9.4	-166.2	70.8	-171.6	0	0	0	115.7	C521 Q522 V565 D567 I568 F571 L576	C521-I524 HydrophobicContact CB-CD1 3.84Å; C521-I524 WeakPolarHBondContact O-CG1 3.46Å; Q522-I524 VanDerWaalsContact C-N 3.27Å; Q522-I524 PolarHBondContact O-N 2.98Å; I524-V565 HydrophobicContact CD1-CG2 3.93Å; I524-D567 HydrophobicContact CD1-CB 3.97Å; I524-D567 HydrophobicContact CG1-CB 3.94Å; I524-I568 HydrophobicContact CD1-CB 4.35Å; I524-I568 HydrophobicContact CD1-CG2 3.47Å; I524-I568 VanDerWaalsContact CD1-CG2 3.47Å; I524-F571 HydrophobicContact CB-CB 3.73Å; I524-F571 HydrophobicContact CB-CD1 4.06Å; I524-F571 HydrophobicContact CB-CD2 4.01Å; I524-F571 HydrophobicContact CB-CG 3.66Å; I524-F571 HydrophobicContact CG2-CB 4.07Å; I524-F571 HydrophobicContact CG2-CD1 3.52Å; I524-F571 HydrophobicContact CG2-CD2 4.26Å; I524-F571 HydrophobicContact CG2-CE1 3.98Å; I524-F571 HydrophobicContact CG2-CG 3.68Å; I524-L576 HydrophobicContact CD1-CD1 4.23Å; I524-L576 HydrophobicContact CG2-CD1 3.42Å; I524-L576 VanDerWaalsContact CG2-CD1 3.42Å; I524-L576 HydrophobicContact CG2-CG 4.42Å
525	S	69.8	Low	80.3	Confident	54 Å²	54	59.8 Å²	59.8	38%	0.378	30%	0.295	S	S	.	.	S	Bend	trans	-122	160.1	-176	62.5	0	0	0	0	112.7	F527 N528	S525-F527 PolarHBondContact O-N 2.91Å; S525-N528 PolarHBondContact O-N 2.78Å
526	G	69.2	Low	79.6	Confident	29 Å²	29	59.8 Å²	59.8	30%	0.299	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	51.8	-133.6	-177.6	0	0	0	0	0	112.8	N528 R529	G526-N528 PolarHBondContact O-N 3.34Å; G526-R529 WeakPolarHBondContact O-CB 3.21Å; G526-R529 PolarHBondContact O-N 2.86Å
527	F	60.9	Low	78.8	Confident	139 Å²	139	61.3 Å²	61.3	61%	0.61	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-54.2	-21.7	179.1	-70.7	-85	0	0	0	116.1	E93 S525	E93-F527 WeakPolarHBondContact OE2-CE1 3.4Å; E93-F527 WeakPolarHBondContact OE2-CZ 3.16Å; S525-F527 PolarHBondContact O-N 2.91Å
528	N	70.7	Confident	78	Confident	28 Å²	28	68.3 Å²	68.3	15%	0.15	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-88.7	-10.9	-179.8	-59.9	-43.5	0	0	0	112.7	Q522 G523 S525 G526 F530 R531 K541	Q522-N528 PolarHBondContact O-ND2 3.33Å; G523-N528 CarbonylContact O-C 3.51Å; G523-N528 VanDerWaalsContact O-CB 3.23Å; G523-N528 WeakPolarHBondContact O-CB 3.44Å; G523-N528 VanDerWaalsContact O-O 3.11Å; S525-N528 PolarHBondContact O-N 2.78Å; G526-N528 PolarHBondContact O-N 3.34Å; N528-F530 PolarHBondContact O-N 3.16Å; N528-R531 PolarHBondContact O-N 2.87Å; N528-K541 PolarHBondContact ND2-NZ 3.15Å; N528-K541 PolarHBondContact OD1-NZ 2.88Å
529	R	65.3	Low	77.1	Confident	67 Å²	67	68.3 Å²	68.3	25%	0.253	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-19.1	-173.5	-172.6	174.3	174	-162.5	-9.7	115	E105 G526 F571	E105-R529 IonicContact OE1-NH2 3.95Å; G526-R529 WeakPolarHBondContact O-CB 3.21Å; G526-R529 PolarHBondContact O-N 2.86Å; R529-F571 HydrophobicContact CG-CD2 4.37Å; R529-F571 WeakPolarHBondContact O-CD2 3.43Å; R529-F571 WeakPolarHBondContact O-CE2 3.35Å
530	F	65.9	Low	76.2	Confident	87 Å²	87	74.4 Å²	74.4	38%	0.382	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-1.4	178.5	-56.9	-75.1	0	0	0	114.3	M97 E101 N528	M97-F530 HydrophobicContact CE-CD2 3.58Å; M97-F530 HydrophobicContact CE-CE2 3.31Å; M97-F530 HydrophobicContact CE-CZ 4.31Å; E101-F530 HydrophobicContact CG-CZ 4.26Å; E101-F530 WeakPolarHBondContact OE1-CE2 3.48Å; E101-F530 WeakPolarHBondContact OE1-CZ 3.37Å; N528-F530 PolarHBondContact O-N 3.16Å
531	R	68.1	Low	75.5	Confident	158 Å²	158	75.9 Å²	75.9	60%	0.596	36%	0.358	S	S	*	.	S	Bend	trans	-90.7	145.1	179.4	-65.6	-175.7	177.2	-173.5	0.2	110.1	N528 R533 F571	N528-R531 PolarHBondContact O-N 2.87Å; R531-R533 VanDerWaalsContact C-N 3.28Å; R531-R533 PolarHBondContact O-N 2.81Å; R531-R533 VanDerWaalsContact O-N 3.17Å; R531-F571 WeakPolarHBondContact O-CZ 3.31Å
532	N	75.3	Confident	75.6	Confident	94 Å²	94	75.5 Å²	75.5	50%	0.503	36%	0.355	S	S	.	.	S	Bend	trans	53.5	35.7	171.8	-59.9	-22.3	0	0	0	115.3	D534 E535 P536 D539	N532-D534 VanDerWaalsContact C-N 3.3Å; N532-D534 PolarHBondContact O-N 3.12Å; N532-E535 CarbonylContact O-C 3.52Å; N532-P536 WeakPolarHBondContact O-CA 3.39Å; N532-D539 HydrophobicContact CB-CB 4.36Å; N532-D539 PolarHBondContact ND2-OD2 2.88Å
533	R	78.7	Confident	76.1	Confident	128 Å²	128	72.9 Å²	72.9	48%	0.483	34%	0.342	S	S	.	.			trans	-65.3	-29.6	-179	-70.7	-176	64.9	-179.9	2.7	114.1	R531 P536 F571 A572	R531-R533 VanDerWaalsContact C-N 3.28Å; R531-R533 PolarHBondContact O-N 2.81Å; R531-R533 VanDerWaalsContact O-N 3.17Å; R533-P536 WeakPolarHBondContact O-CD 3.42Å; R533-P536 WeakPolarHBondContact O-CG 3.37Å; R533-F571 HydrophobicContact CG-CE2 4.16Å; R533-F571 HydrophobicContact CG-CZ 4.12Å; R533-A572 HydrophobicContact CB-CB 4.41Å
534	D	79.5	Confident	76.9	Confident	156 Å²	156	75 Å²	75	83%	0.834	35%	0.352	S	S	*	.	S	Bend	trans	-73	-37.1	-175.9	-62.9	-32.9	0	0	0	112.2	N532	N532-D534 VanDerWaalsContact C-N 3.3Å; N532-D534 PolarHBondContact O-N 3.12Å
535	E	82.1	Confident	77.7	Confident	99 Å²	99	75 Å²	75	46%	0.463	35%	0.352	S	S	.	.	S	Bend	trans	-135.3	67.2	178.9	-59.6	-170.4	95.1	0	0	111.5	N532 L537 K538	N532-E535 CarbonylContact O-C 3.52Å; E535-L537 PolarHBondContact O-N 2.75Å; E535-K538 HydrophobicContact CB-CB 4.28Å; E535-K538 HydrophobicContact CB-CD 3.95Å; E535-K538 HydrophobicContact CB-CG 4.1Å; E535-K538 VanDerWaalsContact CD-CE 3.45Å; E535-K538 HydrophobicContact CG-CD 4.42Å; E535-K538 PolarHBondContact O-N 3.44Å; E535-K538 WeakPolarHBondContact OE1-CE 3.41Å; E535-K538 IonicContact OE1-NZ 2.67Å; E535-K538 PolarHBondContact OE1-NZ 2.78Å; E535-K538 WeakPolarHBondContact OE2-CD 3.38Å; E535-K538 WeakPolarHBondContact OE2-CE 3.47Å; E535-K538 IonicContact OE2-NZ 3.33Å; E535-K538 PolarHBondContact OE2-NZ 2.95Å
536	P	82.7	Confident	79	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-55.1	-30.1	-171.5	-33	41.2	0	0	0	115.9	N532 R533 D539 N542 F571 A572 Y575 L576	N532-P536 WeakPolarHBondContact O-CA 3.39Å; R533-P536 WeakPolarHBondContact O-CD 3.42Å; R533-P536 WeakPolarHBondContact O-CG 3.37Å; P536-D539 WeakPolarHBondContact O-CB 3.36Å; P536-D539 PolarHBondContact O-N 2.87Å; P536-N542 WeakPolarHBondContact O-CB 3.37Å; P536-N542 PolarHBondContact O-ND2 2.79Å; P536-F571 HydrophobicContact CB-CE1 3.85Å; P536-F571 HydrophobicContact CG-CE1 3.79Å; P536-A572 HydrophobicContact CG-CB 3.91Å; P536-Y575 HydrophobicContact CB-CD1 3.93Å; P536-Y575 HydrophobicContact CB-CE1 4.29Å; P536-Y575 HydrophobicContact CB-CG 4.4Å; P536-Y575 HydrophobicContact CG-CD1 3.84Å; P536-Y575 HydrophobicContact CG-CD2 4.22Å; P536-Y575 HydrophobicContact CG-CE1 4.32Å; P536-Y575 HydrophobicContact CG-CG 3.81Å; P536-L576 HydrophobicContact CB-CD2 4.29Å
537	L	82.5	Confident	80.3	Confident	33 Å²	33	73.2 Å²	73.2	17%	0.173	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-79.9	-18.3	-178.3	-64.6	169.6	0	0	0	113.6	E535 D539 M545 V546 Y575 L576 Y579	E535-L537 PolarHBondContact O-N 2.75Å; L537-D539 PolarHBondContact O-N 2.94Å; L537-M545 HydrophobicContact CD2-CB 4.4Å; L537-M545 HydrophobicContact CD2-CG 4.49Å; L537-V546 HydrophobicContact CB-CG2 4.37Å; L537-V546 HydrophobicContact CD1-CG2 4.46Å; L537-V546 HydrophobicContact CD2-CG2 3.92Å; L537-V546 HydrophobicContact CG-CG2 4.47Å; L537-Y575 HydrophobicContact CD1-CE1 3.71Å; L537-Y575 HydrophobicContact CG-CE1 3.74Å; L537-L576 HydrophobicContact CD2-CD2 3.59Å; L537-L576 HydrophobicContact CG-CD2 4.31Å; L537-Y579 HydrophobicContact CD1-CD1 4.2Å; L537-Y579 HydrophobicContact CD1-CD2 3.36Å; L537-Y579 HydrophobicContact CD1-CE1 4.23Å; L537-Y579 HydrophobicContact CD1-CE2 3.37Å; L537-Y579 HydrophobicContact CD1-CG 3.78Å; L537-Y579 HydrophobicContact CD2-CD1 4.24Å; L537-Y579 HydrophobicContact CD2-CE1 4.32Å; L537-Y579 HydrophobicContact CD2-CG 4.48Å
538	K	81.4	Confident	82	Confident	147 Å²	147	66.6 Å²	66.6	64%	0.639	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-71.9	-17.1	170.6	-71.5	-172.6	178.3	170	0	111.8	E535 E540	E535-K538 HydrophobicContact CB-CB 4.28Å; E535-K538 HydrophobicContact CB-CD 3.95Å; E535-K538 HydrophobicContact CB-CG 4.1Å; E535-K538 VanDerWaalsContact CD-CE 3.45Å; E535-K538 HydrophobicContact CG-CD 4.42Å; E535-K538 PolarHBondContact O-N 3.44Å; E535-K538 WeakPolarHBondContact OE1-CE 3.41Å; E535-K538 IonicContact OE1-NZ 2.67Å; E535-K538 PolarHBondContact OE1-NZ 2.78Å; E535-K538 WeakPolarHBondContact OE2-CD 3.38Å; E535-K538 WeakPolarHBondContact OE2-CE 3.47Å; E535-K538 IonicContact OE2-NZ 3.33Å; E535-K538 PolarHBondContact OE2-NZ 2.95Å; K538-E540 PolarHBondContact O-N 3.46Å
539	D	78.3	Confident	83.4	Confident	21 Å²	21	65.2 Å²	65.2	11%	0.112	30%	0.297	C	S	.	.	S	Bend	trans	-70.9	117	169.3	-161.9	-38.9	0	0	0	109.5	N532 P536 L537 K541 N542 K543	N532-D539 HydrophobicContact CB-CB 4.36Å; N532-D539 PolarHBondContact ND2-OD2 2.88Å; P536-D539 WeakPolarHBondContact O-CB 3.36Å; P536-D539 PolarHBondContact O-N 2.87Å; L537-D539 PolarHBondContact O-N 2.94Å; D539-K541 PolarHBondContact O-N 3.22Å; D539-K541 VanDerWaalsContact OD1-CB 3.27Å; D539-K541 WeakPolarHBondContact OD1-CB 3.4Å; D539-K541 WeakPolarHBondContact OD1-CG 3.49Å; D539-K541 PolarHBondContact OD1-N 3.16Å; D539-N542 PolarHBondContact O-N 2.8Å; D539-K543 PolarHBondContact O-N 3.03Å
540	E	78.2	Confident	84.9	Confident	129 Å²	129	64.5 Å²	64.5	60%	0.603	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-53.4	-25.7	177	-73.9	-70.4	139.2	0	0	112.3	K538 N542 K543	K538-E540 PolarHBondContact O-N 3.46Å; E540-N542 PolarHBondContact O-N 2.82Å; E540-K543 VanDerWaalsContact CD-NZ 3.31Å; E540-K543 WeakPolarHBondContact O-CB 3Å; E540-K543 PolarHBondContact O-N 3.42Å; E540-K543 WeakPolarHBondContact OE1-CD 3.31Å; E540-K543 IonicContact OE1-NZ 3.4Å; E540-K543 PolarHBondContact OE1-NZ 2.93Å; E540-K543 WeakPolarHBondContact OE2-CD 3.3Å; E540-K543 IonicContact OE2-NZ 2.78Å; E540-K543 PolarHBondContact OE2-NZ 3.07Å
541	K	77.4	Confident	86.5	Confident	84 Å²	84	60.4 Å²	60.4	37%	0.365	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-69.4	-14.2	176.3	-64.1	174.6	178.7	172.8	0	114.6	Q522 N528 D539	Q522-K541 HydrophobicContact CB-CB 4.34Å; Q522-K541 PolarHBondContact N-O 3.4Å; Q522-K541 VanDerWaalsContact N-O 3.13Å; N528-K541 PolarHBondContact ND2-NZ 3.15Å; N528-K541 PolarHBondContact OD1-NZ 2.88Å; D539-K541 PolarHBondContact O-N 3.22Å; D539-K541 VanDerWaalsContact OD1-CB 3.27Å; D539-K541 WeakPolarHBondContact OD1-CB 3.4Å; D539-K541 WeakPolarHBondContact OD1-CG 3.49Å; D539-K541 PolarHBondContact OD1-N 3.16Å
542	N	86.5	Confident	87.9	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-113.4	-4.8	178.3	-61.3	-28.7	0	0	0	112.4	G523 P536 D539 E540 Q544 M545 L576	G523-N542 WeakPolarHBondContact CA-OD1 3.44Å; G523-N542 PolarHBondContact N-OD1 3.02Å; G523-N542 VanDerWaalsContact N-OD1 3.13Å; P536-N542 WeakPolarHBondContact O-CB 3.37Å; P536-N542 PolarHBondContact O-ND2 2.79Å; D539-N542 PolarHBondContact O-N 2.8Å; E540-N542 PolarHBondContact O-N 2.82Å; N542-Q544 PolarHBondContact O-N 3.24Å; N542-Q544 VanDerWaalsContact O-N 3.14Å; N542-M545 VanDerWaalsContact O-CB 3.3Å; N542-M545 WeakPolarHBondContact O-CB 3.45Å; N542-M545 PolarHBondContact O-N 3.24Å; N542-M545 VanDerWaalsContact O-N 3.07Å; N542-L576 HydrophobicContact CB-CD1 4.47Å; N542-L576 HydrophobicContact CB-CD2 4.39Å
543	K	90.5	Very high	89	Confident	75 Å²	75	48.5 Å²	48.5	33%	0.326	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-26.6	-176.2	-175.1	175	-177.2	171.7	0	114.5	D539 E540 M545 V546 T547	D539-K543 PolarHBondContact O-N 3.03Å; E540-K543 VanDerWaalsContact CD-NZ 3.31Å; E540-K543 WeakPolarHBondContact O-CB 3Å; E540-K543 PolarHBondContact O-N 3.42Å; E540-K543 WeakPolarHBondContact OE1-CD 3.31Å; E540-K543 IonicContact OE1-NZ 3.4Å; E540-K543 PolarHBondContact OE1-NZ 2.93Å; E540-K543 WeakPolarHBondContact OE2-CD 3.3Å; E540-K543 IonicContact OE2-NZ 2.78Å; E540-K543 PolarHBondContact OE2-NZ 3.07Å; K543-M545 PolarHBondContact O-N 3.44Å; K543-V546 WeakPolarHBondContact O-CA 3.18Å; K543-V546 WeakPolarHBondContact O-CB 3.49Å; K543-V546 PolarHBondContact O-N 3.22Å; K543-T547 PolarHBondContact O-N 2.66Å; K543-T547 VanDerWaalsContact O-N 3.09Å; K543-T547 PolarHBondContact O-OG1 3.44Å
544	Q	94.4	Very high	90	Very high	45 Å²	45	44.6 Å²	44.6	21%	0.21	21%	0.214	C	C	.	.	H	α-helix	trans	-62.6	-23.2	177.7	-60.9	-53.8	-65.7	0	0	112.7	Y351 P519 P520 N542 F548	Y351-Q544 HydrophobicContact CE1-CB 4.16Å; Y351-Q544 HydrophobicContact CE1-CG 4.27Å; Y351-Q544 PolarHBondContact OH-O 2.98Å; Y351-Q544 PolarHBondContact OH-OE1 3.49Å; Y351-Q544 VanDerWaalsContact OH-OE1 3.13Å; P519-Q544 HydrophobicContact CB-CB 4.26Å; P520-Q544 HydrophobicContact CG-CB 4.14Å; P520-Q544 HydrophobicContact CG-CG 3.92Å; N542-Q544 PolarHBondContact O-N 3.24Å; N542-Q544 VanDerWaalsContact O-N 3.14Å; Q544-F548 WeakPolarHBondContact O-CB 3.32Å; Q544-F548 PolarHBondContact O-N 3.35Å
545	M	95.2	Very high	90.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.2	-41.5	169.9	-177.2	62.6	68.4	0	0	111.9	P519 L537 N542 K543 M549 M562 Y579 A580	P519-M545 HydrophobicContact CG-CE 3.99Å; P519-M545 HydrophobicContact CG-SD 4.2Å; L537-M545 HydrophobicContact CD2-CB 4.4Å; L537-M545 HydrophobicContact CD2-CG 4.49Å; N542-M545 VanDerWaalsContact O-CB 3.3Å; N542-M545 WeakPolarHBondContact O-CB 3.45Å; N542-M545 PolarHBondContact O-N 3.24Å; N542-M545 VanDerWaalsContact O-N 3.07Å; K543-M545 PolarHBondContact O-N 3.44Å; M545-M549 WeakPolarHBondContact O-CG 3.13Å; M545-M549 PolarHBondContact O-N 3.03Å; M545-M549 HydrophobicContact SD-CE 4.46Å; M545-M562 HydrophobicContact CE-CE 3.71Å; M545-M562 HydrophobicContact CE-SD 3.77Å; M545-M562 HydrophobicContact SD-CE 4.24Å; M545-M562 HydrophobicContact SD-SD 3.53Å; M545-Y579 HydrophobicContact CG-CD1 3.63Å; M545-Y579 HydrophobicContact CG-CE1 3.76Å; M545-A580 HydrophobicContact SD-CB 3.92Å
546	V	95.4	Very high	91.6	Very high	38 Å²	38	35.6 Å²	35.6	23%	0.23	17%	0.166	C	C	.	.	H	α-helix	trans	-65.5	-51.2	175.6	-175.5	0	0	0	0	109.5	L537 K543 F548 M549 D550	L537-V546 HydrophobicContact CB-CG2 4.37Å; L537-V546 HydrophobicContact CD1-CG2 4.46Å; L537-V546 HydrophobicContact CD2-CG2 3.92Å; L537-V546 HydrophobicContact CG-CG2 4.47Å; K543-V546 WeakPolarHBondContact O-CA 3.18Å; K543-V546 WeakPolarHBondContact O-CB 3.49Å; K543-V546 PolarHBondContact O-N 3.22Å; V546-F548 VanDerWaalsContact C-N 3.29Å; V546-F548 PolarHBondContact O-N 2.8Å; V546-M549 CarbonylContact O-C 3.43Å; V546-M549 PolarHBondContact O-N 3.11Å; V546-D550 PolarHBondContact O-N 3.03Å
547	T	96.6	Very high	92.4	Very high	8 Å²	8	35.6 Å²	35.6	5%	0.049	17%	0.166	C	C	.	.	H	α-helix	trans	-57.5	-39.5	179	-55.8	0	0	0	0	112.8	A402 D403 K543 D550 I551	A402-T547 HydrophobicContact CB-CG2 3.84Å; D403-T547 HydrophobicContact CB-CG2 4.03Å; K543-T547 PolarHBondContact O-N 2.66Å; K543-T547 VanDerWaalsContact O-N 3.09Å; K543-T547 PolarHBondContact O-OG1 3.44Å; T547-D550 PolarHBondContact O-N 2.88Å; T547-I551 HydrophobicContact CG2-CD1 4.16Å; T547-I551 WeakPolarHBondContact O-CG1 3.33Å; T547-I551 PolarHBondContact O-N 3.3Å
548	F	98.4	Very high	93.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.4	-48.7	174.2	-179.7	-94	0	0	0	111.5	L350 Y351 I515 P519 Q544 V546 D550 I551 V552 V560 M562	L350-F548 HydrophobicContact CB-CD2 4.25Å; L350-F548 HydrophobicContact CB-CE2 4.39Å; L350-F548 HydrophobicContact CD1-CD2 3.71Å; L350-F548 HydrophobicContact CD1-CE2 3.95Å; Y351-F548 HydrophobicContact CD2-CD2 4.5Å; Y351-F548 HydrophobicContact CE2-CB 4.15Å; Y351-F548 HydrophobicContact CE2-CD2 4.06Å; I515-F548 HydrophobicContact CG2-CE2 4.03Å; I515-F548 HydrophobicContact CG2-CZ 4.2Å; P519-F548 HydrophobicContact CB-CB 4.16Å; P519-F548 HydrophobicContact CG-CB 4.24Å; P519-F548 HydrophobicContact CG-CG 4.26Å; Q544-F548 WeakPolarHBondContact O-CB 3.32Å; Q544-F548 PolarHBondContact O-N 3.35Å; V546-F548 VanDerWaalsContact C-N 3.29Å; V546-F548 PolarHBondContact O-N 2.8Å; F548-D550 VanDerWaalsContact C-N 3.34Å; F548-D550 PolarHBondContact O-N 3.42Å; F548-I551 PolarHBondContact O-N 3.35Å; F548-V552 HydrophobicContact CD1-CG2 4.31Å; F548-V552 HydrophobicContact CE1-CG2 3.95Å; F548-V552 HydrophobicContact CZ-CG2 4.25Å; F548-V552 WeakPolarHBondContact O-CG2 3.42Å; F548-V552 PolarHBondContact O-N 2.99Å; F548-V560 HydrophobicContact CE1-CG1 4.01Å; F548-V560 HydrophobicContact CZ-CG1 4.03Å; F548-M562 HydrophobicContact CD1-CG 4.22Å; F548-M562 HydrophobicContact CE1-CB 3.83Å; F548-M562 HydrophobicContact CE1-CG 3.81Å; F548-M562 HydrophobicContact CE1-SD 4.48Å; F548-M562 HydrophobicContact CZ-CB 4Å; F548-M562 HydrophobicContact CZ-CG 4.12Å
549	M	98.3	Very high	94	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-68.2	-32.6	179.6	-67.3	-65.2	169.4	0	0	112.5	V245 M545 V546 V552 A553 M562 Y579 A580 C583 L584 M587 L612	V245-M549 HydrophobicContact CG1-CB 4.31Å; M545-M549 WeakPolarHBondContact O-CG 3.13Å; M545-M549 PolarHBondContact O-N 3.03Å; M545-M549 HydrophobicContact SD-CE 4.46Å; V546-M549 CarbonylContact O-C 3.43Å; V546-M549 PolarHBondContact O-N 3.11Å; M549-V552 PolarHBondContact O-N 3.11Å; M549-A553 VanDerWaalsContact O-CB 3.31Å; M549-A553 WeakPolarHBondContact O-CB 3.37Å; M549-A553 PolarHBondContact O-N 2.82Å; M549-M562 HydrophobicContact CE-SD 3.95Å; M549-Y579 HydrophobicContact CG-CE1 4.24Å; M549-A580 HydrophobicContact CE-CB 3.56Å; M549-A580 WeakPolarHBondContact CE-O 3.3Å; M549-C583 HydrophobicContact CB-CB 4.26Å; M549-C583 HydrophobicContact CG-CB 3.86Å; M549-C583 HydrophobicContact SD-CB 3.66Å; M549-L584 HydrophobicContact SD-CD2 4.4Å; M549-M587 HydrophobicContact SD-CE 4.37Å; M549-L612 HydrophobicContact CE-CD2 4.43Å
550	D	97.9	Very high	95	Very high	52 Å²	52	29.5 Å²	29.5	28%	0.278	14%	0.137	S	C	.	.	H	α-helix	trans	-65.5	-40.4	173.8	-68.2	-23.4	0	0	0	111.9	L406 V546 T547 F548 A553 Y554	L406-D550 HydrophobicContact CD2-CB 3.69Å; V546-D550 PolarHBondContact O-N 3.03Å; T547-D550 PolarHBondContact O-N 2.88Å; F548-D550 VanDerWaalsContact C-N 3.34Å; F548-D550 PolarHBondContact O-N 3.42Å; D550-A553 PolarHBondContact O-N 2.85Å; D550-Y554 WeakPolarHBondContact O-CB 3.47Å; D550-Y554 PolarHBondContact O-N 3.07Å
551	I	98.6	Very high	96	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-66.6	-41.9	175.3	-65.4	163.9	0	0	0	110.5	L348 L350 A402 F405 L406 I515 T547 F548 A553 Y554 L555	L348-I551 HydrophobicContact CD2-CG2 4.28Å; L350-I551 HydrophobicContact CD1-CB 4.08Å; L350-I551 HydrophobicContact CD1-CD1 3.87Å; L350-I551 HydrophobicContact CD1-CG2 3.84Å; L350-I551 HydrophobicContact CD2-CD1 3.9Å; L350-I551 HydrophobicContact CD2-CG2 4.49Å; A402-I551 HydrophobicContact CB-CD1 4.13Å; F405-I551 HydrophobicContact CD1-CD1 4.46Å; L406-I551 HydrophobicContact CB-CD1 4.46Å; L406-I551 HydrophobicContact CB-CG1 3.9Å; L406-I551 HydrophobicContact CD1-CG1 4.02Å; L406-I551 HydrophobicContact CD2-CG1 4.23Å; L406-I551 HydrophobicContact CG-CG1 4.26Å; I515-I551 HydrophobicContact CD1-CG2 4.32Å; T547-I551 HydrophobicContact CG2-CD1 4.16Å; T547-I551 WeakPolarHBondContact O-CG1 3.33Å; T547-I551 PolarHBondContact O-N 3.3Å; F548-I551 PolarHBondContact O-N 3.35Å; I551-A553 VanDerWaalsContact C-N 3.32Å; I551-A553 PolarHBondContact O-N 2.97Å; I551-Y554 PolarHBondContact O-N 3.41Å; I551-L555 HydrophobicContact CG2-CD1 3.78Å; I551-L555 HydrophobicContact CG2-CG 4.39Å; I551-L555 WeakPolarHBondContact O-CB 3.41Å; I551-L555 PolarHBondContact O-N 2.86Å
552	V	98.7	Very high	97	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.8	-42.9	173.4	171.3	0	0	0	0	110.9	I515 F548 M549 K556 V560 L584 M587	I515-V552 HydrophobicContact CD1-CG2 4.22Å; I515-V552 HydrophobicContact CG2-CG2 4.21Å; F548-V552 HydrophobicContact CD1-CG2 4.31Å; F548-V552 HydrophobicContact CE1-CG2 3.95Å; F548-V552 HydrophobicContact CZ-CG2 4.25Å; F548-V552 WeakPolarHBondContact O-CG2 3.42Å; F548-V552 PolarHBondContact O-N 2.99Å; M549-V552 PolarHBondContact O-N 3.11Å; V552-K556 WeakPolarHBondContact O-CA 3.29Å; V552-K556 PolarHBondContact O-N 2.84Å; V552-V560 HydrophobicContact CG1-CG2 3.66Å; V552-V560 HydrophobicContact CG2-CG1 4.07Å; V552-V560 HydrophobicContact CG2-CG2 4.23Å; V552-L584 HydrophobicContact CG1-CD2 4.34Å; V552-M587 HydrophobicContact CG1-CE 3.93Å; V552-M587 HydrophobicContact CG1-SD 4.46Å
553	A	98.4	Very high	97.6	Very high	3 Å²	3	20.2 Å²	20.2	3%	0.025	10%	0.095	C	C	.	.	H	α-helix	trans	-62.5	-43.1	177.7	0	0	0	0	0	112	V245 D246 M549 D550 I551 K556 M587	V245-A553 HydrophobicContact CG1-CB 3.96Å; D246-A553 HydrophobicContact CB-CB 3.82Å; M549-A553 VanDerWaalsContact O-CB 3.31Å; M549-A553 WeakPolarHBondContact O-CB 3.37Å; M549-A553 PolarHBondContact O-N 2.82Å; D550-A553 PolarHBondContact O-N 2.85Å; I551-A553 VanDerWaalsContact C-N 3.32Å; I551-A553 PolarHBondContact O-N 2.97Å; A553-K556 WeakPolarHBondContact O-CD 3.4Å; A553-K556 WeakPolarHBondContact O-CE 3.34Å; A553-K556 WeakPolarHBondContact O-CG 3.38Å; A553-M587 VanDerWaalsContact CA-SD 3.52Å; A553-M587 HydrophobicContact CB-SD 3.54Å; A553-M587 VanDerWaalsContact CB-SD 3.54Å
554	Y	98.4	Very high	97.9	Very high	46 Å²	46	17 Å²	17	18%	0.18	8%	0.081	C	C	.	.	H	α-helix	trans	-69.2	-45.5	179.2	-177.5	-103.1	0	0	0	113	L406 L409 K410 P509 D550 I551	L406-Y554 HydrophobicContact CD1-CD1 4.21Å; L406-Y554 HydrophobicContact CD1-CG 4.09Å; L409-Y554 HydrophobicContact CB-CD1 4.33Å; L409-Y554 HydrophobicContact CB-CE1 3.76Å; L409-Y554 HydrophobicContact CD1-CD1 4.36Å; L409-Y554 HydrophobicContact CD1-CE1 4.44Å; L409-Y554 PolarHBondContact O-OH 3.04Å; L409-Y554 VanDerWaalsContact O-OH 3.09Å; K410-Y554 HydrophobicContact CG-CD2 4.36Å; K410-Y554 HydrophobicContact CG-CE2 3.83Å; P509-Y554 HydrophobicContact CG-CD1 4.5Å; P509-Y554 HydrophobicContact CG-CE1 4.1Å; P509-Y554 WeakPolarHBondContact CG-O 3.36Å; D550-Y554 WeakPolarHBondContact O-CB 3.47Å; D550-Y554 PolarHBondContact O-N 3.07Å; I551-Y554 PolarHBondContact O-N 3.41Å
555	L	98.5	Very high	97.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-87	-22.9	-173.5	-70.1	177.9	0	0	0	114.5	L348 L409 P507 V512 I515 I551	L348-L555 HydrophobicContact CD2-CD1 3.53Å; L409-L555 HydrophobicContact CD1-CD1 3.96Å; L409-L555 HydrophobicContact CD1-CD2 4.09Å; L409-L555 HydrophobicContact CD1-CG 4.2Å; P507-L555 HydrophobicContact CB-CD2 4.41Å; P507-L555 HydrophobicContact CG-CD1 4.4Å; V512-L555 HydrophobicContact CG2-CD1 4.07Å; I515-L555 HydrophobicContact CD1-CB 4.06Å; I515-L555 HydrophobicContact CD1-CD1 3.96Å; I551-L555 HydrophobicContact CG2-CD1 3.78Å; I551-L555 HydrophobicContact CG2-CG 4.39Å; I551-L555 WeakPolarHBondContact O-CB 3.41Å; I551-L555 PolarHBondContact O-N 2.86Å
556	K	98.3	Very high	97.8	Very high	66 Å²	66	17.6 Å²	17.6	29%	0.287	9%	0.088	S	C	.	.			trans	45	58.6	-178.1	-63.6	-63.4	-170.5	-176.4	0	113.7	H248 V552 A553 Y589	H248-K556 PolarHBondContact CE1-NZ 2.8Å; H248-K556 PolarHBondContact NE2-NZ 3.49Å; V552-K556 WeakPolarHBondContact O-CA 3.29Å; V552-K556 PolarHBondContact O-N 2.84Å; A553-K556 WeakPolarHBondContact O-CD 3.4Å; A553-K556 WeakPolarHBondContact O-CE 3.34Å; A553-K556 WeakPolarHBondContact O-CG 3.38Å; K556-Y589 WeakPolarHBondContact CA-OH 3.47Å; K556-Y589 HydrophobicContact CD-CE2 4.37Å
557	P	98.7	Very high	97.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.088	C	C	.	.			trans	-64.4	157.3	179.8	33.8	-41.4	0	0	0	111.9	V512 I515 Y559 V560 Y589 L616	V512-P557 HydrophobicContact CG1-CB 4.41Å; V512-P557 WeakPolarHBondContact O-CA 3.34Å; I515-P557 HydrophobicContact CB-CB 4.44Å; I515-P557 HydrophobicContact CB-CG 4.03Å; I515-P557 HydrophobicContact CD1-CB 4.17Å; I515-P557 HydrophobicContact CD1-CG 3.66Å; I515-P557 HydrophobicContact CG1-CB 3.85Å; I515-P557 HydrophobicContact CG1-CG 3.68Å; P557-Y559 VanDerWaalsContact C-N 3.28Å; P557-Y559 WeakPolarHBondContact CB-O 3.32Å; P557-Y559 WeakPolarHBondContact CG-O 3.32Å; P557-Y559 PolarHBondContact O-N 2.92Å; P557-V560 HydrophobicContact CG-CG2 3.7Å; P557-Y589 WeakPolarHBondContact CD-OH 3.37Å; P557-Y589 VanDerWaalsContact O-CE1 3.25Å; P557-Y589 WeakPolarHBondContact O-CE1 3.4Å; P557-Y589 PolarHBondContact O-OH 2.92Å; P557-L616 WeakPolarHBondContact O-CG 3.16Å
558	K	98.6	Very high	97.4	Very high	72 Å²	72	17.6 Å²	17.6	31%	0.313	9%	0.086	S	C	.	.	S	Bend	trans	-61.3	-38.8	173.5	-68.3	173.7	-176.6	158.1	0	111.9	D513 A615 L616 M619 Y873	D513-K558 HydrophobicContact CB-CD 4.5Å; D513-K558 WeakPolarHBondContact O-CA 3.27Å; D513-K558 VanDerWaalsContact O-CB 3.3Å; D513-K558 WeakPolarHBondContact O-CB 3.45Å; D513-K558 PolarHBondContact O-N 2.83Å; D513-K558 WeakPolarHBondContact OD1-CD 2.9Å; D513-K558 WeakPolarHBondContact OD1-CE 2.87Å; D513-K558 IonicContact OD1-NZ 2.81Å; D513-K558 PolarHBondContact OD1-NZ 2.93Å; K558-A615 CarbonylContact O-C 3.57Å; K558-A615 WeakPolarHBondContact O-CA 2.91Å; K558-L616 PolarHBondContact O-N 2.93Å; K558-M619 HydrophobicContact CB-CE 4.46Å; K558-M619 HydrophobicContact CB-CG 3.99Å; K558-M619 HydrophobicContact CB-SD 4.35Å; K558-M619 HydrophobicContact CD-CE 4.12Å; K558-M619 HydrophobicContact CD-SD 4.03Å; K558-M619 HydrophobicContact CG-CG 4.34Å; K558-M619 HydrophobicContact CG-SD 4.23Å; K558-Y873 HydrophobicContact CD-CE2 4.08Å; K558-Y873 PolarHBondContact NZ-OH 2.91Å
559	Y	98.9	Very high	97.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	147.9	178.8	-67.3	-75.3	0	0	0	112.4	D513 V514 I515 P557 G614 A615 M619 V620 P622 L869 A872 Y873	D513-Y559 PolarHBondContact O-N 2.97Å; V514-Y559 WeakPolarHBondContact CA-O 3.23Å; V514-Y559 HydrophobicContact CG2-CD2 4.42Å; I515-Y559 PolarHBondContact N-O 2.95Å; P557-Y559 VanDerWaalsContact C-N 3.28Å; P557-Y559 WeakPolarHBondContact CB-O 3.32Å; P557-Y559 WeakPolarHBondContact CG-O 3.32Å; P557-Y559 PolarHBondContact O-N 2.92Å; Y559-G614 CarbonylContact C-O 3.44Å; Y559-G614 VanDerWaalsContact CA-O 3.31Å; Y559-G614 WeakPolarHBondContact CA-O 3.3Å; Y559-A615 HydrophobicContact CD1-CB 3.65Å; Y559-A615 HydrophobicContact CE1-CB 3.54Å; Y559-M619 HydrophobicContact CE1-CB 4.13Å; Y559-M619 HydrophobicContact CE2-CB 4.36Å; Y559-M619 HydrophobicContact CE2-CE 3.5Å; Y559-M619 HydrophobicContact CE2-CG 4.44Å; Y559-V620 WeakPolarHBondContact CE1-O 3.37Å; Y559-V620 PolarHBondContact OH-O 2.98Å; Y559-P622 HydrophobicContact CD1-CG 3.74Å; Y559-P622 HydrophobicContact CE1-CG 3.62Å; Y559-L869 HydrophobicContact CD1-CD1 4.03Å; Y559-L869 HydrophobicContact CD2-CD1 3.69Å; Y559-L869 HydrophobicContact CE1-CD1 4.47Å; Y559-L869 HydrophobicContact CE2-CD1 4.15Å; Y559-L869 HydrophobicContact CG-CD1 3.6Å; Y559-A872 VanDerWaalsContact OH-C 3.31Å; Y559-A872 PolarHBondContact OH-O 3.2Å; Y559-Y873 AromaticContact CD2-CD2 3.83Å; Y559-Y873 HydrophobicContact CD2-CD2 3.83Å; Y559-Y873 HydrophobicContact CD2-CE2 4.45Å; Y559-Y873 AromaticContact CE2-CD2 3.52Å; Y559-Y873 HydrophobicContact CE2-CD2 3.52Å; Y559-Y873 HydrophobicContact CE2-CE2 4.35Å; Y559-Y873 HydrophobicContact CE2-CG 4.16Å; Y559-Y873 PolarHBondContact OH-N 3.24Å
560	V	98.9	Very high	96.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.8	174.3	-177.4	0	0	0	0	108.3	I515 F548 V552 P557 L584 Y589 W613 G614	I515-V560 CarbonylContact O-C 3.54Å; I515-V560 WeakPolarHBondContact O-CA 3.39Å; F548-V560 HydrophobicContact CE1-CG1 4.01Å; F548-V560 HydrophobicContact CZ-CG1 4.03Å; V552-V560 HydrophobicContact CG1-CG2 3.66Å; V552-V560 HydrophobicContact CG2-CG1 4.07Å; V552-V560 HydrophobicContact CG2-CG2 4.23Å; P557-V560 HydrophobicContact CG-CG2 3.7Å; V560-L584 HydrophobicContact CB-CD2 4.41Å; V560-L584 HydrophobicContact CG1-CD2 4.36Å; V560-L584 HydrophobicContact CG2-CD2 4.27Å; V560-Y589 HydrophobicContact CG2-CD1 4.4Å; V560-Y589 HydrophobicContact CG2-CE1 3.93Å; V560-W613 CarbonylContact O-C 3.55Å; V560-W613 WeakPolarHBondContact O-CA 3.07Å; V560-W613 VanDerWaalsContact O-CE3 3.31Å; V560-G614 PolarHBondContact N-O 3.18Å; V560-G614 PolarHBondContact O-N 2.93Å
561	L	98.9	Very high	96.2	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	107	168	-178.3	62.2	0	0	0	109.9	M357 L361 I515 C516 G517 F611 L612 W613 L865	M357-L561 HydrophobicContact SD-CD2 4.23Å; L361-L561 HydrophobicContact CD1-CD2 3.98Å; L361-L561 HydrophobicContact CD2-CD2 3.71Å; L361-L561 HydrophobicContact CG-CD2 4.34Å; I515-L561 PolarHBondContact O-N 3.03Å; C516-L561 CarbonylContact C-O 3.58Å; C516-L561 WeakPolarHBondContact CA-O 3.04Å; C516-L561 HydrophobicContact CB-CB 4.17Å; G517-L561 PolarHBondContact N-O 2.82Å; L561-F611 HydrophobicContact CD1-CB 4.24Å; L561-F611 HydrophobicContact CD1-CD1 4.22Å; L561-L612 WeakPolarHBondContact CA-O 3.24Å; L561-W613 HydrophobicContact CB-CE3 4Å; L561-W613 HydrophobicContact CB-CH2 4.07Å; L561-W613 HydrophobicContact CB-CZ3 3.61Å; L561-W613 HydrophobicContact CD1-CD2 3.83Å; L561-W613 HydrophobicContact CD1-CE3 3.9Å; L561-W613 HydrophobicContact CD1-CG 4.5Å; L561-W613 HydrophobicContact CD1-CH2 3.96Å; L561-W613 HydrophobicContact CD1-CZ2 3.92Å; L561-W613 HydrophobicContact CD1-CZ3 3.97Å; L561-W613 HydrophobicContact CD2-CH2 3.82Å; L561-W613 HydrophobicContact CD2-CZ2 4.23Å; L561-W613 HydrophobicContact CD2-CZ3 4.24Å; L561-W613 HydrophobicContact CG-CE3 4.47Å; L561-W613 HydrophobicContact CG-CH2 4.17Å; L561-W613 HydrophobicContact CG-CZ3 4.14Å; L561-L865 HydrophobicContact CD2-CD1 4.26Å
562	M	98.8	Very high	95.6	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.01	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	129.3	172.7	-167.7	-159.6	95.8	0	0	109.8	G517 P519 M545 F548 M549 N564 I568 A580 F611 L612	G517-M562 WeakPolarHBondContact O-CA 3.47Å; P519-M562 HydrophobicContact CG-CG 4.03Å; P519-M562 HydrophobicContact CG-SD 4.23Å; M545-M562 HydrophobicContact CE-CE 3.71Å; M545-M562 HydrophobicContact CE-SD 3.77Å; M545-M562 HydrophobicContact SD-CE 4.24Å; M545-M562 HydrophobicContact SD-SD 3.53Å; F548-M562 HydrophobicContact CD1-CG 4.22Å; F548-M562 HydrophobicContact CE1-CB 3.83Å; F548-M562 HydrophobicContact CE1-CG 3.81Å; F548-M562 HydrophobicContact CE1-SD 4.48Å; F548-M562 HydrophobicContact CZ-CB 4Å; F548-M562 HydrophobicContact CZ-CG 4.12Å; M549-M562 HydrophobicContact CE-SD 3.95Å; M562-N564 HydrophobicContact CE-CB 4.15Å; M562-I568 HydrophobicContact CE-CD1 3.86Å; M562-A580 HydrophobicContact CE-CB 4.15Å; M562-A580 HydrophobicContact SD-CB 3.81Å; M562-F611 CarbonylContact O-C 3.54Å; M562-F611 WeakPolarHBondContact O-CA 3.08Å; M562-L612 HydrophobicContact CB-CB 4.24Å; M562-L612 PolarHBondContact N-O 3.19Å; M562-L612 PolarHBondContact O-N 2.87Å; M562-L612 HydrophobicContact SD-CD2 4.44Å
563	E	98.4	Very high	95	Very high	17 Å²	17	25.2 Å²	25.2	8%	0.079	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	147.3	171.8	-172.1	-87.3	172.2	0	0	110.8	M357 G517 R609 V610 F611 V857	M357-E563 HydrophobicContact SD-CB 3.99Å; G517-E563 PolarHBondContact O-N 2.8Å; E563-R609 HydrophobicContact CG-CB 4.46Å; E563-R609 WeakPolarHBondContact OE1-CB 3.33Å; E563-R609 WeakPolarHBondContact OE1-CD 3.37Å; E563-R609 WeakPolarHBondContact OE1-CG 3.42Å; E563-R609 IonicContact OE1-NE 3Å; E563-V610 CarbonylContact C-O 3.56Å; E563-V610 WeakPolarHBondContact CA-O 3.21Å; E563-F611 HydrophobicContact CB-CD1 4.11Å; E563-F611 HydrophobicContact CB-CE1 3.99Å; E563-F611 HydrophobicContact CG-CD1 3.95Å; E563-F611 HydrophobicContact CG-CE1 3.45Å; E563-F611 VanDerWaalsContact CG-CE1 3.45Å; E563-F611 HydrophobicContact CG-CZ 3.88Å; E563-V857 HydrophobicContact CB-CG2 4.21Å; E563-V857 HydrophobicContact CG-CG2 3.63Å
564	N	97.2	Very high	94.7	Very high	8 Å²	8	25 Å²	25	4%	0.043	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	174.8	167.8	-132	-77.1	0	0	0	114.6	P519 M562 I568 R609 V610	P519-N564 PolarHBondContact O-ND2 3.38Å; M562-N564 HydrophobicContact CE-CB 4.15Å; N564-I568 HydrophobicContact CB-CD1 3.64Å; N564-I568 HydrophobicContact CB-CG1 4.32Å; N564-I568 HydrophobicContact CB-CG2 3.91Å; N564-I568 WeakPolarHBondContact OD1-CG2 3.32Å; N564-R609 WeakPolarHBondContact O-CD 3.5Å; N564-V610 PolarHBondContact N-O 2.77Å; N564-V610 PolarHBondContact O-N 2.78Å
565	V	94.4	Very high	94.4	Very high	40 Å²	40	25.5 Å²	25.5	24%	0.242	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	154	170.2	-60	0	0	0	0	111.7	I524 D567 I568	I524-V565 HydrophobicContact CD1-CG2 3.93Å; V565-D567 HydrophobicContact CG2-CB 4.1Å; V565-D567 PolarHBondContact O-N 2.56Å; V565-D567 VanDerWaalsContact O-N 3.16Å; V565-I568 HydrophobicContact CG2-CG2 4.42Å; V565-I568 WeakPolarHBondContact O-CG1 3.05Å; V565-I568 PolarHBondContact O-N 3.27Å
566	V	93.4	Very high	94.1	Very high	16 Å²	16	25.5 Å²	25.5	10%	0.097	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-61.6	-24.6	179.9	179.7	0	0	0	0	112.8	I568 L569 M595 M608 V610 P638	V566-I568 PolarHBondContact O-N 3.2Å; V566-I568 VanDerWaalsContact O-N 3.09Å; V566-L569 WeakPolarHBondContact O-CB 3.44Å; V566-L569 PolarHBondContact O-N 3.23Å; V566-M595 HydrophobicContact CG1-SD 4.24Å; V566-M608 HydrophobicContact CG2-CB 4.03Å; V566-M608 HydrophobicContact CG2-CG 3.71Å; V566-M608 HydrophobicContact CG2-SD 3.94Å; V566-V610 HydrophobicContact CB-CG2 4.49Å; V566-V610 HydrophobicContact CG2-CG2 4.28Å; V566-P638 HydrophobicContact CG1-CG 3.86Å
567	D	91.6	Very high	94	Very high	45 Å²	45	22.4 Å²	22.4	24%	0.241	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-61.5	-20	-178.8	-63.3	-49.2	0	0	0	113.8	I524 V565 L569 K570 F571	I524-D567 HydrophobicContact CD1-CB 3.97Å; I524-D567 HydrophobicContact CG1-CB 3.94Å; V565-D567 HydrophobicContact CG2-CB 4.1Å; V565-D567 PolarHBondContact O-N 2.56Å; V565-D567 VanDerWaalsContact O-N 3.16Å; D567-L569 PolarHBondContact O-N 2.84Å; D567-L569 VanDerWaalsContact O-N 3.13Å; D567-K570 PolarHBondContact O-N 3.48Å; D567-F571 WeakPolarHBondContact O-CB 3.47Å; D567-F571 PolarHBondContact O-N 3.47Å
568	I	93.3	Very high	93.8	Very high	1 Å²	1	23 Å²	23	1%	0.005	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-62.4	-20.5	173.5	71.8	169.5	0	0	0	112.8	I524 M562 N564 V565 V566 G574 L576 G577 V610	I524-I568 HydrophobicContact CD1-CB 4.35Å; I524-I568 HydrophobicContact CD1-CG2 3.47Å; I524-I568 VanDerWaalsContact CD1-CG2 3.47Å; M562-I568 HydrophobicContact CE-CD1 3.86Å; N564-I568 HydrophobicContact CB-CD1 3.64Å; N564-I568 HydrophobicContact CB-CG1 4.32Å; N564-I568 HydrophobicContact CB-CG2 3.91Å; N564-I568 WeakPolarHBondContact OD1-CG2 3.32Å; V565-I568 HydrophobicContact CG2-CG2 4.42Å; V565-I568 WeakPolarHBondContact O-CG1 3.05Å; V565-I568 PolarHBondContact O-N 3.27Å; V566-I568 PolarHBondContact O-N 3.2Å; V566-I568 VanDerWaalsContact O-N 3.09Å; I568-G574 CarbonylContact O-C 3.54Å; I568-G574 VanDerWaalsContact O-CA 3.31Å; I568-G574 WeakPolarHBondContact O-CA 3.48Å; I568-L576 HydrophobicContact CB-CB 4.03Å; I568-L576 HydrophobicContact CG2-CB 4.4Å; I568-L576 HydrophobicContact CG2-CD1 4.43Å; I568-G577 PolarHBondContact O-N 2.91Å; I568-G577 VanDerWaalsContact O-N 3.09Å; I568-V610 HydrophobicContact CD1-CB 4.19Å; I568-V610 HydrophobicContact CD1-CG1 4.01Å; I568-V610 HydrophobicContact CG1-CG2 4.37Å
569	L	93.4	Very high	93.7	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.016	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-99.5	-8.2	179.3	-56.6	-176.5	0	0	0	112.9	V566 D567 G574 L593 M595 V610 P638 F641	V566-L569 WeakPolarHBondContact O-CB 3.44Å; V566-L569 PolarHBondContact O-N 3.23Å; D567-L569 PolarHBondContact O-N 2.84Å; D567-L569 VanDerWaalsContact O-N 3.13Å; L569-G574 VanDerWaalsContact C-CA 3.43Å; L569-G574 WeakPolarHBondContact O-CA 3.38Å; L569-L593 HydrophobicContact CD1-CD2 3.95Å; L569-L593 HydrophobicContact CD2-CD1 3.98Å; L569-L593 HydrophobicContact CD2-CD2 4.35Å; L569-M595 HydrophobicContact CD1-CE 4.49Å; L569-M595 HydrophobicContact CD1-CG 4.21Å; L569-M595 HydrophobicContact CD1-SD 3.97Å; L569-V610 HydrophobicContact CD1-CG1 4.1Å; L569-V610 HydrophobicContact CD1-CG2 3.53Å; L569-V610 HydrophobicContact CG-CG1 4.45Å; L569-V610 HydrophobicContact CG-CG2 3.93Å; L569-P638 HydrophobicContact CB-CB 4.4Å; L569-P638 HydrophobicContact CB-CG 3.89Å; L569-F641 HydrophobicContact CB-CD2 3.74Å; L569-F641 HydrophobicContact CB-CE2 4.03Å; L569-F641 HydrophobicContact CB-CG 4.27Å; L569-F641 HydrophobicContact CD1-CB 4.09Å; L569-F641 HydrophobicContact CD1-CD1 4.45Å; L569-F641 HydrophobicContact CD1-CD2 4.38Å; L569-F641 HydrophobicContact CD1-CG 4.06Å; L569-F641 HydrophobicContact CD2-CD1 4.09Å; L569-F641 HydrophobicContact CD2-CD2 4.09Å; L569-F641 HydrophobicContact CD2-CE1 3.94Å; L569-F641 HydrophobicContact CD2-CE2 3.96Å; L569-F641 HydrophobicContact CD2-CG 4.15Å; L569-F641 HydrophobicContact CD2-CZ 3.87Å; L569-F641 HydrophobicContact CG-CD2 4.27Å; L569-F641 HydrophobicContact CG-CG 4.39Å
570	K	89.3	Confident	93.6	Very high	95 Å²	95	20.2 Å²	20.2	41%	0.413	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-48.4	178.6	-64.3	-179.4	178.6	175.5	0	111.5	D567 A572 D573 P638	D567-K570 PolarHBondContact O-N 3.48Å; K570-A572 PolarHBondContact O-N 3.4Å; K570-D573 PolarHBondContact O-N 3.3Å; K570-P638 HydrophobicContact CD-CG 4.36Å; K570-P638 HydrophobicContact CG-CB 3.99Å; K570-P638 HydrophobicContact CG-CG 3.56Å
571	F	85.4	Confident	93.6	Very high	7 Å²	7	20.2 Å²	20.2	3%	0.031	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-62.4	134.3	-176.4	176.2	-91.2	0	0	0	111.2	I524 R529 R531 R533 P536 D567 D573 G574 Y575	I524-F571 HydrophobicContact CB-CB 3.73Å; I524-F571 HydrophobicContact CB-CD1 4.06Å; I524-F571 HydrophobicContact CB-CD2 4.01Å; I524-F571 HydrophobicContact CB-CG 3.66Å; I524-F571 HydrophobicContact CG2-CB 4.07Å; I524-F571 HydrophobicContact CG2-CD1 3.52Å; I524-F571 HydrophobicContact CG2-CD2 4.26Å; I524-F571 HydrophobicContact CG2-CE1 3.98Å; I524-F571 HydrophobicContact CG2-CG 3.68Å; R529-F571 HydrophobicContact CG-CD2 4.37Å; R529-F571 WeakPolarHBondContact O-CD2 3.43Å; R529-F571 WeakPolarHBondContact O-CE2 3.35Å; R531-F571 WeakPolarHBondContact O-CZ 3.31Å; R533-F571 HydrophobicContact CG-CE2 4.16Å; R533-F571 HydrophobicContact CG-CZ 4.12Å; P536-F571 HydrophobicContact CB-CE1 3.85Å; P536-F571 HydrophobicContact CG-CE1 3.79Å; D567-F571 WeakPolarHBondContact O-CB 3.47Å; D567-F571 PolarHBondContact O-N 3.47Å; F571-D573 PolarHBondContact O-N 2.98Å; F571-G574 WeakPolarHBondContact O-CA 2.97Å; F571-G574 PolarHBondContact O-N 2.83Å; F571-Y575 PolarHBondContact O-N 3.02Å
572	A	85.3	Confident	93.5	Very high	17 Å²	17	20.2 Å²	20.2	14%	0.14	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	47.3	45.8	-178	0	0	0	0	0	113.1	R533 P536 K570 G574 Y575	R533-A572 HydrophobicContact CB-CB 4.41Å; P536-A572 HydrophobicContact CG-CB 3.91Å; K570-A572 PolarHBondContact O-N 3.4Å; A572-G574 VanDerWaalsContact C-N 3.26Å; A572-G574 PolarHBondContact O-N 2.94Å; A572-Y575 WeakPolarHBondContact O-CB 3.49Å; A572-Y575 PolarHBondContact O-N 2.88Å
573	D	87.1	Confident	93.5	Very high	90 Å²	90	20.1 Å²	20.1	48%	0.481	10%	0.101	S	C	.	.	G	3₁₀ helix	trans	57.3	38	-176.7	-168.6	46.8	0	0	0	113.1	K570 F571 Y575 K578	K570-D573 PolarHBondContact O-N 3.3Å; F571-D573 PolarHBondContact O-N 2.98Å; D573-Y575 PolarHBondContact O-N 2.6Å; D573-K578 WeakPolarHBondContact O-CE 3.35Å; D573-K578 PolarHBondContact O-NZ 3.06Å; D573-K578 IonicContact OD2-NZ 2.79Å; D573-K578 PolarHBondContact OD2-NZ 3.37Å
574	G	91.2	Very high	93.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	71.6	25.3	-179.5	0	0	0	0	0	114.6	I568 L569 F571 A572 L576 G577 K578	I568-G574 CarbonylContact O-C 3.54Å; I568-G574 VanDerWaalsContact O-CA 3.31Å; I568-G574 WeakPolarHBondContact O-CA 3.48Å; L569-G574 VanDerWaalsContact C-CA 3.43Å; L569-G574 WeakPolarHBondContact O-CA 3.38Å; F571-G574 WeakPolarHBondContact O-CA 2.97Å; F571-G574 PolarHBondContact O-N 2.83Å; A572-G574 VanDerWaalsContact C-N 3.26Å; A572-G574 PolarHBondContact O-N 2.94Å; G574-L576 VanDerWaalsContact C-N 3.29Å; G574-L576 PolarHBondContact O-N 2.89Å; G574-G577 PolarHBondContact O-N 3.14Å; G574-G577 VanDerWaalsContact O-N 3.14Å; G574-K578 WeakPolarHBondContact O-CG 3.47Å; G574-K578 PolarHBondContact O-N 2.93Å
575	Y	92.5	Very high	93.6	Very high	55 Å²	55	18.9 Å²	18.9	22%	0.216	10%	0.096	C	C	.	.	H	α-helix	trans	-48.2	-47.5	-175.7	-176.5	-76.6	0	0	0	113	L240 P536 L537 F571 A572 D573 K578 Y579	L240-Y575 HydrophobicContact CD1-CD2 4.17Å; L240-Y575 HydrophobicContact CD1-CE1 4.08Å; L240-Y575 HydrophobicContact CD1-CE2 3.63Å; L240-Y575 HydrophobicContact CD2-CD2 4.14Å; L240-Y575 HydrophobicContact CD2-CE2 4.31Å; P536-Y575 HydrophobicContact CB-CD1 3.93Å; P536-Y575 HydrophobicContact CB-CE1 4.29Å; P536-Y575 HydrophobicContact CB-CG 4.4Å; P536-Y575 HydrophobicContact CG-CD1 3.84Å; P536-Y575 HydrophobicContact CG-CD2 4.22Å; P536-Y575 HydrophobicContact CG-CE1 4.32Å; P536-Y575 HydrophobicContact CG-CG 3.81Å; L537-Y575 HydrophobicContact CD1-CE1 3.71Å; L537-Y575 HydrophobicContact CG-CE1 3.74Å; F571-Y575 PolarHBondContact O-N 3.02Å; A572-Y575 WeakPolarHBondContact O-CB 3.49Å; A572-Y575 PolarHBondContact O-N 2.88Å; D573-Y575 PolarHBondContact O-N 2.6Å; Y575-K578 PolarHBondContact O-N 2.92Å; Y575-Y579 VanDerWaalsContact O-CB 3.32Å; Y575-Y579 WeakPolarHBondContact O-CB 3.21Å; Y575-Y579 PolarHBondContact O-N 3.4Å
576	L	93.2	Very high	93.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-68.8	-39.3	-176.4	-67.3	-175.4	0	0	0	112.3	C521 I524 P536 L537 N542 I568 G574 Y579 A580	C521-L576 HydrophobicContact CB-CD1 3.88Å; I524-L576 HydrophobicContact CD1-CD1 4.23Å; I524-L576 HydrophobicContact CG2-CD1 3.42Å; I524-L576 VanDerWaalsContact CG2-CD1 3.42Å; I524-L576 HydrophobicContact CG2-CG 4.42Å; P536-L576 HydrophobicContact CB-CD2 4.29Å; L537-L576 HydrophobicContact CD2-CD2 3.59Å; L537-L576 HydrophobicContact CG-CD2 4.31Å; N542-L576 HydrophobicContact CB-CD1 4.47Å; N542-L576 HydrophobicContact CB-CD2 4.39Å; I568-L576 HydrophobicContact CB-CB 4.03Å; I568-L576 HydrophobicContact CG2-CB 4.4Å; I568-L576 HydrophobicContact CG2-CD1 4.43Å; G574-L576 VanDerWaalsContact C-N 3.29Å; G574-L576 PolarHBondContact O-N 2.89Å; L576-Y579 PolarHBondContact O-N 3.01Å; L576-A580 WeakPolarHBondContact O-CB 3.06Å; L576-A580 PolarHBondContact O-N 2.81Å
577	G	94.6	Very high	93.9	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.01	8%	0.083	C	C	.	.	H	α-helix	trans	-64.7	-42.7	173.4	0	0	0	0	0	112.5	I568 G574 A580 L581	I568-G577 PolarHBondContact O-N 2.91Å; I568-G577 VanDerWaalsContact O-N 3.09Å; G574-G577 PolarHBondContact O-N 3.14Å; G574-G577 VanDerWaalsContact O-N 3.14Å; G577-A580 PolarHBondContact O-N 2.94Å; G577-L581 PolarHBondContact O-N 2.68Å; G577-L581 VanDerWaalsContact O-N 3.08Å
578	K	95.7	Very high	94.2	Very high	13 Å²	13	18.1 Å²	18.1	6%	0.057	9%	0.086	C	C	.	.	H	α-helix	trans	-63	-42.7	174.8	-66.6	177.2	177.8	162.9	0	111.6	V236 L240 D573 G574 Y575 S582 F641	V236-K578 VanDerWaalsContact O-CD 3.3Å; V236-K578 WeakPolarHBondContact O-CD 3.49Å; V236-K578 VanDerWaalsContact O-CE 3.22Å; V236-K578 WeakPolarHBondContact O-CE 3.44Å; V236-K578 VanDerWaalsContact O-CG 3.31Å; V236-K578 WeakPolarHBondContact O-CG 3.4Å; L240-K578 HydrophobicContact CB-CB 4.46Å; L240-K578 HydrophobicContact CD2-CB 3.98Å; L240-K578 HydrophobicContact CD2-CD 4.31Å; L240-K578 HydrophobicContact CG-CB 4.02Å; D573-K578 WeakPolarHBondContact O-CE 3.35Å; D573-K578 PolarHBondContact O-NZ 3.06Å; D573-K578 IonicContact OD2-NZ 2.79Å; D573-K578 PolarHBondContact OD2-NZ 3.37Å; G574-K578 WeakPolarHBondContact O-CG 3.47Å; G574-K578 PolarHBondContact O-N 2.93Å; Y575-K578 PolarHBondContact O-N 2.92Å; K578-S582 WeakPolarHBondContact O-CB 3.44Å; K578-S582 PolarHBondContact O-N 2.55Å; K578-F641 HydrophobicContact CG-CZ 3.99Å
579	Y	96.1	Very high	94.4	Very high	13 Å²	13	18.1 Å²	18.1	5%	0.051	9%	0.086	C	C	.	.	H	α-helix	trans	-58	-52.4	174.9	172.3	-97.1	0	0	0	111	I243 L537 M545 M549 Y575 L576 L581 S582 C583	I243-Y579 HydrophobicContact CG2-CD2 3.86Å; I243-Y579 HydrophobicContact CG2-CE2 4.15Å; L537-Y579 HydrophobicContact CD1-CD1 4.2Å; L537-Y579 HydrophobicContact CD1-CD2 3.36Å; L537-Y579 HydrophobicContact CD1-CE1 4.23Å; L537-Y579 HydrophobicContact CD1-CE2 3.37Å; L537-Y579 HydrophobicContact CD1-CG 3.78Å; L537-Y579 HydrophobicContact CD2-CD1 4.24Å; L537-Y579 HydrophobicContact CD2-CE1 4.32Å; L537-Y579 HydrophobicContact CD2-CG 4.48Å; M545-Y579 HydrophobicContact CG-CD1 3.63Å; M545-Y579 HydrophobicContact CG-CE1 3.76Å; M549-Y579 HydrophobicContact CG-CE1 4.24Å; Y575-Y579 VanDerWaalsContact O-CB 3.32Å; Y575-Y579 WeakPolarHBondContact O-CB 3.21Å; Y575-Y579 PolarHBondContact O-N 3.4Å; L576-Y579 PolarHBondContact O-N 3.01Å; Y579-L581 PolarHBondContact O-N 3.37Å; Y579-S582 WeakPolarHBondContact O-CB 3.42Å; Y579-S582 PolarHBondContact O-N 2.8Å; Y579-S582 VanDerWaalsContact O-N 3.16Å; Y579-C583 WeakPolarHBondContact CE1-SG 3.3Å; Y579-C583 PolarHBondContact O-N 3.18Å; Y579-C583 PolarHBondContact O-SG 3.26Å
580	A	97.3	Very high	94.7	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.008	9%	0.087	C	C	.	.	H	α-helix	trans	-59	-45.6	-178.3	0	0	0	0	0	112.4	M545 M549 M562 L576 G577 C583 L584 L612	M545-A580 HydrophobicContact SD-CB 3.92Å; M549-A580 HydrophobicContact CE-CB 3.56Å; M549-A580 WeakPolarHBondContact CE-O 3.3Å; M562-A580 HydrophobicContact CE-CB 4.15Å; M562-A580 HydrophobicContact SD-CB 3.81Å; L576-A580 WeakPolarHBondContact O-CB 3.06Å; L576-A580 PolarHBondContact O-N 2.81Å; G577-A580 PolarHBondContact O-N 2.94Å; A580-C583 PolarHBondContact O-N 3.48Å; A580-L584 PolarHBondContact O-N 2.79Å; A580-L612 HydrophobicContact CB-CD2 3.68Å
581	L	97.9	Very high	95.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.3	-43.2	175.6	-177.5	63.2	0	0	0	111.9	V236 I237 F309 G577 Y579 C583 L584 V585 A591 L612	V236-L581 HydrophobicContact CG1-CD2 3.3Å; I237-L581 HydrophobicContact CG1-CD2 4.33Å; I237-L581 HydrophobicContact CG1-CG 4.32Å; F309-L581 HydrophobicContact CD2-CD1 4.23Å; F309-L581 HydrophobicContact CE2-CD1 4.26Å; F309-L581 HydrophobicContact CE2-CD2 4.09Å; F309-L581 HydrophobicContact CE2-CG 4.22Å; G577-L581 PolarHBondContact O-N 2.68Å; G577-L581 VanDerWaalsContact O-N 3.08Å; Y579-L581 PolarHBondContact O-N 3.37Å; L581-C583 VanDerWaalsContact C-N 3.32Å; L581-C583 PolarHBondContact O-N 3.09Å; L581-L584 PolarHBondContact O-N 3.04Å; L581-V585 HydrophobicContact CD1-CG2 4.47Å; L581-V585 WeakPolarHBondContact O-CG2 3.44Å; L581-V585 PolarHBondContact O-N 3.31Å; L581-A591 HydrophobicContact CD1-CB 3.56Å; L581-L612 HydrophobicContact CB-CD1 4.48Å; L581-L612 HydrophobicContact CD1-CD1 3.77Å
582	S	98	Very high	95.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-60	-41.4	178.1	-172.5	0	0	0	0	111.9	L240 I243 H250 K578 Y579 L584 V585 A586	L240-S582 PolarHBondContact O-OG 2.76Å; I243-S582 VanDerWaalsContact CD1-C 3.47Å; I243-S582 WeakPolarHBondContact CD1-OG 3.03Å; I243-S582 WeakPolarHBondContact CG1-OG 3.34Å; H250-S582 PolarHBondContact CE1-O 3.2Å; H250-S582 PolarHBondContact NE2-O 3.29Å; H250-S582 PolarHBondContact NE2-OG 2.76Å; K578-S582 WeakPolarHBondContact O-CB 3.44Å; K578-S582 PolarHBondContact O-N 2.55Å; Y579-S582 WeakPolarHBondContact O-CB 3.42Å; Y579-S582 PolarHBondContact O-N 2.8Å; Y579-S582 VanDerWaalsContact O-N 3.16Å; S582-L584 PolarHBondContact O-N 2.78Å; S582-V585 PolarHBondContact O-N 3.05Å; S582-A586 WeakPolarHBondContact O-CB 3.36Å; S582-A586 PolarHBondContact O-N 3.31Å
583	C	98.2	Very high	96.3	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-58	-49.7	177.1	-66.4	0	0	0	0	111.2	I243 V245 M549 Y579 A580 L581 A586 M587	I243-C583 HydrophobicContact CD1-CB 4.26Å; I243-C583 VanDerWaalsContact CD1-N 3.33Å; V245-C583 HydrophobicContact CG2-CB 3.84Å; V245-C583 WeakPolarHBondContact CG2-SG 3.29Å; M549-C583 HydrophobicContact CB-CB 4.26Å; M549-C583 HydrophobicContact CG-CB 3.86Å; M549-C583 HydrophobicContact SD-CB 3.66Å; Y579-C583 WeakPolarHBondContact CE1-SG 3.3Å; Y579-C583 PolarHBondContact O-N 3.18Å; Y579-C583 PolarHBondContact O-SG 3.26Å; A580-C583 PolarHBondContact O-N 3.48Å; L581-C583 VanDerWaalsContact C-N 3.32Å; L581-C583 PolarHBondContact O-N 3.09Å; C583-A586 PolarHBondContact O-N 2.69Å; C583-M587 HydrophobicContact CB-CE 4.22Å; C583-M587 WeakPolarHBondContact O-CB 3.25Å; C583-M587 WeakPolarHBondContact O-CE 3.33Å; C583-M587 VanDerWaalsContact O-CG 3.31Å; C583-M587 WeakPolarHBondContact O-CG 3.47Å; C583-M587 PolarHBondContact O-N 2.87Å
584	L	98.6	Very high	96.8	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-60.8	-46.8	178.4	-67.6	-177.9	0	0	0	111.6	M549 V552 V560 A580 L581 S582 A586 M587 K588 Y589 A591 L612	M549-L584 HydrophobicContact SD-CD2 4.4Å; V552-L584 HydrophobicContact CG1-CD2 4.34Å; V560-L584 HydrophobicContact CB-CD2 4.41Å; V560-L584 HydrophobicContact CG1-CD2 4.36Å; V560-L584 HydrophobicContact CG2-CD2 4.27Å; A580-L584 PolarHBondContact O-N 2.79Å; L581-L584 PolarHBondContact O-N 3.04Å; S582-L584 PolarHBondContact O-N 2.78Å; L584-A586 PolarHBondContact O-N 2.94Å; L584-M587 HydrophobicContact CD2-CE 4.13Å; L584-M587 CarbonylContact O-C 3.52Å; L584-M587 PolarHBondContact O-N 2.64Å; L584-K588 PolarHBondContact O-N 3.12Å; L584-Y589 HydrophobicContact CD2-CD2 4.45Å; L584-Y589 HydrophobicContact CD2-CG 4.3Å; L584-Y589 WeakPolarHBondContact O-CB 3.32Å; L584-Y589 PolarHBondContact O-N 3.49Å; L584-A591 HydrophobicContact CB-CB 4.21Å; L584-A591 HydrophobicContact CD1-CB 4.19Å; L584-L612 HydrophobicContact CD1-CD1 4.12Å; L584-L612 HydrophobicContact CD1-CD2 3.73Å; L584-L612 HydrophobicContact CD1-CG 3.76Å
585	V	98.3	Very high	97.1	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-65.9	-39	-178.7	175	0	0	0	0	111.8	I237 R254 F256 F309 L581 S582 M587 K588 A591	I237-V585 HydrophobicContact CD1-CB 4.08Å; I237-V585 HydrophobicContact CD1-CG1 4.26Å; I237-V585 HydrophobicContact CD1-CG2 4.09Å; R254-V585 PolarHBondContact NH1-O 3Å; F256-V585 HydrophobicContact CE1-CG1 4.2Å; F256-V585 HydrophobicContact CZ-CG1 3.63Å; F309-V585 HydrophobicContact CB-CG2 4.36Å; F309-V585 HydrophobicContact CD1-CG1 4.19Å; F309-V585 HydrophobicContact CD1-CG2 3.98Å; F309-V585 HydrophobicContact CD2-CG2 3.65Å; F309-V585 HydrophobicContact CE1-CG1 4.09Å; F309-V585 HydrophobicContact CE1-CG2 4.11Å; F309-V585 HydrophobicContact CE2-CG2 3.81Å; F309-V585 HydrophobicContact CG-CG2 3.73Å; F309-V585 HydrophobicContact CZ-CG2 4.03Å; L581-V585 HydrophobicContact CD1-CG2 4.47Å; L581-V585 WeakPolarHBondContact O-CG2 3.44Å; L581-V585 PolarHBondContact O-N 3.31Å; S582-V585 PolarHBondContact O-N 3.05Å; V585-M587 VanDerWaalsContact C-N 3.33Å; V585-K588 PolarHBondContact O-N 3.01Å; V585-K588 VanDerWaalsContact O-N 3.1Å; V585-A591 HydrophobicContact CG2-CB 4.46Å
586	A	97.8	Very high	97.3	Very high	3 Å²	3	6.1 Å²	6.1	3%	0.025	3%	0.028	C	C	.	.	H	α-helix	trans	-63.9	-38.9	174	0	0	0	0	0	111.6	H248 H250 S582 C583 L584 K588	H248-A586 HydrophobicContact CB-CB 4.5Å; H250-A586 PolarHBondContact CE1-N 3.43Å; S582-A586 WeakPolarHBondContact O-CB 3.36Å; S582-A586 PolarHBondContact O-N 3.31Å; C583-A586 PolarHBondContact O-N 2.69Å; L584-A586 PolarHBondContact O-N 2.94Å; A586-K588 PolarHBondContact O-N 3.32Å
587	M	97.8	Very high	97.5	Very high	9 Å²	9	6.3 Å²	6.3	4%	0.044	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	6.3	173.1	-71.1	-170	-76.6	0	0	114.3	V245 H248 M549 V552 A553 C583 L584 V585 Y589	V245-M587 HydrophobicContact CG1-SD 4.34Å; H248-M587 HydrophobicContact CB-CG 4.08Å; M549-M587 HydrophobicContact SD-CE 4.37Å; V552-M587 HydrophobicContact CG1-CE 3.93Å; V552-M587 HydrophobicContact CG1-SD 4.46Å; A553-M587 VanDerWaalsContact CA-SD 3.52Å; A553-M587 HydrophobicContact CB-SD 3.54Å; A553-M587 VanDerWaalsContact CB-SD 3.54Å; C583-M587 HydrophobicContact CB-CE 4.22Å; C583-M587 WeakPolarHBondContact O-CB 3.25Å; C583-M587 WeakPolarHBondContact O-CE 3.33Å; C583-M587 VanDerWaalsContact O-CG 3.31Å; C583-M587 WeakPolarHBondContact O-CG 3.47Å; C583-M587 PolarHBondContact O-N 2.87Å; L584-M587 HydrophobicContact CD2-CE 4.13Å; L584-M587 CarbonylContact O-C 3.52Å; L584-M587 PolarHBondContact O-N 2.64Å; V585-M587 VanDerWaalsContact C-N 3.33Å; M587-Y589 VanDerWaalsContact C-N 3.29Å; M587-Y589 HydrophobicContact CB-CD2 3.79Å; M587-Y589 HydrophobicContact CB-CE2 4.15Å; M587-Y589 PolarHBondContact O-N 3.43Å
588	K	97.2	Very high	97.6	Very high	73 Å²	73	6.3 Å²	6.3	32%	0.317	3%	0.029	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	24	-179.7	-50	-65.5	-172.9	175.1	0	114.8	Y297 M300 L584 V585 A586	Y297-K588 PolarHBondContact OH-NZ 3.49Å; M300-K588 WeakPolarHBondContact CE-O 3.38Å; L584-K588 PolarHBondContact O-N 3.12Å; V585-K588 PolarHBondContact O-N 3.01Å; V585-K588 VanDerWaalsContact O-N 3.1Å; A586-K588 PolarHBondContact O-N 3.32Å
589	Y	98.3	Very high	97.5	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.027	C	C	.	.			trans	-74.9	142.6	167.3	-78.7	-102.1	0	0	0	110.2	K556 P557 V560 L584 M587 A615 L616	K556-Y589 WeakPolarHBondContact CA-OH 3.47Å; K556-Y589 HydrophobicContact CD-CE2 4.37Å; P557-Y589 WeakPolarHBondContact CD-OH 3.37Å; P557-Y589 VanDerWaalsContact O-CE1 3.25Å; P557-Y589 WeakPolarHBondContact O-CE1 3.4Å; P557-Y589 PolarHBondContact O-OH 2.92Å; V560-Y589 HydrophobicContact CG2-CD1 4.4Å; V560-Y589 HydrophobicContact CG2-CE1 3.93Å; L584-Y589 HydrophobicContact CD2-CD2 4.45Å; L584-Y589 HydrophobicContact CD2-CG 4.3Å; L584-Y589 WeakPolarHBondContact O-CB 3.32Å; L584-Y589 PolarHBondContact O-N 3.49Å; M587-Y589 VanDerWaalsContact C-N 3.29Å; M587-Y589 HydrophobicContact CB-CD2 3.79Å; M587-Y589 HydrophobicContact CB-CE2 4.15Å; M587-Y589 PolarHBondContact O-N 3.43Å; Y589-A615 CarbonylContact C-O 3.53Å; Y589-A615 WeakPolarHBondContact CA-O 3.28Å; Y589-L616 HydrophobicContact CD1-CD2 4.18Å; Y589-L616 HydrophobicContact CD2-CD2 4.35Å; Y589-L616 HydrophobicContact CE1-CD2 3.6Å; Y589-L616 HydrophobicContact CE1-CG 3.83Å; Y589-L616 HydrophobicContact CE2-CD2 3.81Å
590	Q	98.2	Very high	97.5	Very high	7 Å²	7	5.2 Å²	5.2	3%	0.033	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	144.2	152.3	-62.8	175.1	89	0	0	107.7	M300 F309 N311 G614 A615 L616 M619 L621	M300-Q590 HydrophobicContact CE-CG 3.78Å; M300-Q590 HydrophobicContact SD-CG 4.22Å; F309-Q590 CarbonylContact O-C 3.42Å; F309-Q590 VanDerWaalsContact O-CA 3.25Å; F309-Q590 WeakPolarHBondContact O-CA 3.03Å; F309-Q590 WeakPolarHBondContact O-CB 3.1Å; N311-Q590 VanDerWaalsContact CG-OE1 3.29Å; N311-Q590 PolarHBondContact ND2-NE2 3.13Å; N311-Q590 VanDerWaalsContact OD1-CD 3.24Å; N311-Q590 WeakPolarHBondContact OD1-CG 3.43Å; Q590-G614 CarbonylContact O-C 3.52Å; Q590-G614 VanDerWaalsContact O-CA 3.27Å; Q590-G614 WeakPolarHBondContact O-CA 3.42Å; Q590-A615 HydrophobicContact CB-CB 4.4Å; Q590-A615 WeakPolarHBondContact CB-O 3.46Å; Q590-A615 PolarHBondContact N-O 3.24Å; Q590-A615 PolarHBondContact O-N 3.47Å; Q590-L616 PolarHBondContact NE2-O 2.91Å; Q590-M619 PolarHBondContact NE2-O 2.59Å; Q590-L621 HydrophobicContact CB-CB 4.22Å; Q590-L621 HydrophobicContact CB-CD1 4.06Å; Q590-L621 HydrophobicContact CB-CD2 4.23Å; Q590-L621 HydrophobicContact CB-CG 4.4Å
591	A	98.6	Very high	97.4	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	152.2	-177.2	0	0	0	0	0	112.3	T308 F309 L581 L584 V585 W613	T308-A591 CarbonylContact C-O 3.59Å; T308-A591 WeakPolarHBondContact CA-O 3.32Å; F309-A591 PolarHBondContact N-O 3.44Å; F309-A591 PolarHBondContact O-N 3Å; L581-A591 HydrophobicContact CD1-CB 3.56Å; L584-A591 HydrophobicContact CB-CB 4.21Å; L584-A591 HydrophobicContact CD1-CB 4.19Å; V585-A591 HydrophobicContact CG2-CB 4.46Å; A591-W613 WeakPolarHBondContact CA-O 3.47Å
592	R	98.1	Very high	97.3	Very high	7 Å²	7	6 Å²	6	3%	0.026	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	150.8	167.4	60.5	173.3	54.3	145.9	-8.2	111	Y306 T308 W613 L621 P622 Y624	Y306-R592 WeakPolarHBondContact O-CA 3.3Å; T308-R592 HydrophobicContact CG2-CB 4.35Å; R592-W613 HydrophobicContact CG-CB 3.93Å; R592-W613 PolarHBondContact N-O 3.21Å; R592-W613 VanDerWaalsContact N-O 3.07Å; R592-W613 PolarHBondContact O-N 3.46Å; R592-L621 HydrophobicContact CB-CD2 4.18Å; R592-L621 HydrophobicContact CG-CD1 4.38Å; R592-L621 HydrophobicContact CG-CD2 3.96Å; R592-L621 HydrophobicContact CG-CG 4.22Å; R592-P622 WeakPolarHBondContact CD-O 3.45Å; R592-P622 PolarHBondContact NH1-O 2.87Å; R592-Y624 HydrophobicContact CB-CE2 4.34Å; R592-Y624 HydrophobicContact CG-CE2 3.78Å; R592-Y624 PolarHBondContact O-OH 3.06Å
593	L	98.3	Very high	97.2	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.005	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.9	-176.6	-174	146.4	0	0	0	110.7	Y306 L569 V610 F611 L612 Y624 F641 C644	Y306-L593 CarbonylContact C-O 3.54Å; Y306-L593 WeakPolarHBondContact CA-O 3.41Å; Y306-L593 WeakPolarHBondContact CB-O 3.43Å; Y306-L593 PolarHBondContact O-N 3.14Å; L569-L593 HydrophobicContact CD1-CD2 3.95Å; L569-L593 HydrophobicContact CD2-CD1 3.98Å; L569-L593 HydrophobicContact CD2-CD2 4.35Å; L593-V610 HydrophobicContact CD1-CG1 3.96Å; L593-V610 HydrophobicContact CD2-CG1 3.99Å; L593-V610 HydrophobicContact CG-CG1 3.88Å; L593-F611 WeakPolarHBondContact CA-O 3.43Å; L593-L612 HydrophobicContact CB-CD1 4.16Å; L593-L612 HydrophobicContact CD1-CD1 4.47Å; L593-Y624 WeakPolarHBondContact CA-OH 3.5Å; L593-F641 HydrophobicContact CD2-CD1 4.24Å; L593-C644 HydrophobicContact CD2-CB 3.79Å; L593-C644 WeakPolarHBondContact O-CB 3.27Å
594	G	97.3	Very high	97.1	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	144.1	-177.9	0	0	0	0	0	112.5	F611 Y624 C644	G594-F611 PolarHBondContact N-O 2.84Å; G594-F611 PolarHBondContact O-N 3.4Å; G594-Y624 VanDerWaalsContact N-CZ 3.3Å; G594-Y624 PolarHBondContact N-OH 3.35Å; G594-Y624 VanDerWaalsContact N-OH 3.12Å; G594-C644 CarbonylContact C-O 3.47Å; G594-C644 VanDerWaalsContact CA-O 3.29Å; G594-C644 WeakPolarHBondContact CA-O 3.4Å
595	M	97.5	Very high	96.8	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	125.2	171.1	-73.5	174.3	-75.8	0	0	109.7	V566 L569 M608 R609 V610 A637 F641 C644 M645 V646	V566-M595 HydrophobicContact CG1-SD 4.24Å; L569-M595 HydrophobicContact CD1-CE 4.49Å; L569-M595 HydrophobicContact CD1-CG 4.21Å; L569-M595 HydrophobicContact CD1-SD 3.97Å; M595-M608 HydrophobicContact CB-CG 4.41Å; M595-M608 HydrophobicContact CB-SD 4.48Å; M595-M608 HydrophobicContact SD-SD 4.35Å; M595-R609 CarbonylContact C-O 3.57Å; M595-R609 WeakPolarHBondContact CA-O 3.35Å; M595-V610 HydrophobicContact CG-CG2 3.98Å; M595-A637 HydrophobicContact CE-CB 3.66Å; M595-A637 HydrophobicContact SD-CB 4.42Å; M595-F641 HydrophobicContact CE-CB 4.29Å; M595-F641 WeakPolarHBondContact CE-O 3.31Å; M595-C644 HydrophobicContact CE-CB 4.07Å; M595-C644 PolarHBondContact N-O 2.95Å; M595-M645 HydrophobicContact CB-CE 4.36Å; M595-M645 HydrophobicContact CB-SD 4Å; M595-M645 HydrophobicContact CE-CE 4.5Å; M595-V646 VanDerWaalsContact O-CB 3.27Å; M595-V646 WeakPolarHBondContact O-CB 3.29Å; M595-V646 WeakPolarHBondContact O-CG2 3.27Å; M595-V646 PolarHBondContact O-N 2.69Å
596	M	97.1	Very high	96.4	Very high	1 Å²	1	9 Å²	9	1%	0.005	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.9	-179.5	-59.1	172.3	73.3	0	0	110.5	Y601 M608 R609 F611 Y624 P625 V646 V861 L865	M596-Y601 HydrophobicContact CB-CE2 4.23Å; M596-Y601 HydrophobicContact CE-CE1 3.95Å; M596-Y601 HydrophobicContact CE-CE2 3.72Å; M596-Y601 WeakPolarHBondContact CE-OH 3.46Å; M596-M608 WeakPolarHBondContact O-CA 3.42Å; M596-R609 PolarHBondContact N-O 3.26Å; M596-R609 PolarHBondContact O-N 2.88Å; M596-F611 HydrophobicContact CB-CD2 3.96Å; M596-F611 HydrophobicContact CB-CE2 3.84Å; M596-F611 HydrophobicContact CG-CD2 3.91Å; M596-F611 HydrophobicContact CG-CE2 4.26Å; M596-F611 HydrophobicContact SD-CD2 3.71Å; M596-F611 HydrophobicContact SD-CE2 4.08Å; M596-F611 HydrophobicContact SD-CG 4.23Å; M596-Y624 HydrophobicContact SD-CD1 4.06Å; M596-P625 HydrophobicContact CE-CG 3.48Å; M596-P625 VanDerWaalsContact CE-CG 3.48Å; M596-V646 HydrophobicContact CG-CB 4Å; M596-V646 HydrophobicContact CG-CG1 4.39Å; M596-V646 HydrophobicContact CG-CG2 3.85Å; M596-V861 HydrophobicContact CB-CG1 4.41Å; M596-V861 HydrophobicContact CE-CG1 3.96Å; M596-V861 HydrophobicContact SD-CG1 4.19Å; M596-L865 HydrophobicContact CE-CD2 4.22Å; M596-L865 HydrophobicContact CE-CG 4.12Å; M596-L865 HydrophobicContact SD-CD1 4Å; M596-L865 HydrophobicContact SD-CD2 3.69Å; M596-L865 HydrophobicContact SD-CG 3.93Å
597	V	96.1	Very high	96.3	Very high	3 Å²	3	9.4 Å²	9.4	2%	0.018	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	120.7	177.6	179.6	0	0	0	0	109.6	G599 C600 Y601 F606 M608 V633	V597-G599 VanDerWaalsContact C-N 3.26Å; V597-G599 PolarHBondContact O-N 2.87Å; V597-C600 VanDerWaalsContact O-CB 3.25Å; V597-C600 WeakPolarHBondContact O-CB 3.02Å; V597-C600 PolarHBondContact O-N 3.45Å; V597-Y601 VanDerWaalsContact O-CD2 3.3Å; V597-Y601 WeakPolarHBondContact O-CD2 3.44Å; V597-Y601 WeakPolarHBondContact O-CE2 3.48Å; V597-F606 HydrophobicContact CG1-CD1 4.46Å; V597-F606 HydrophobicContact CG1-CD2 3.66Å; V597-F606 HydrophobicContact CG1-CE1 4.44Å; V597-F606 HydrophobicContact CG1-CE2 3.67Å; V597-F606 HydrophobicContact CG1-CG 4.07Å; V597-F606 HydrophobicContact CG1-CZ 4.06Å; V597-F606 HydrophobicContact CG2-CE2 4.48Å; V597-F606 HydrophobicContact CG2-CZ 4.18Å; V597-M608 HydrophobicContact CG2-CB 4.21Å; V597-M608 HydrophobicContact CG2-CE 3.71Å; V597-M608 HydrophobicContact CG2-CG 4.05Å; V597-V633 HydrophobicContact CG2-CG1 4.25Å; V597-V633 HydrophobicContact CG2-CG2 4.2Å
598	A	96.2	Very high	96.1	Very high	2 Å²	2	10 Å²	10	2%	0.017	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-57.2	-36	-174.8	0	0	0	0	0	114	C600 Y601 L603 Q605 R607 A858 V861	A598-C600 PolarHBondContact O-N 3.15Å; A598-Y601 PolarHBondContact O-N 3.34Å; A598-L603 HydrophobicContact CB-CD1 4.25Å; A598-Q605 HydrophobicContact CB-CG 4.26Å; A598-R607 HydrophobicContact CB-CB 3.94Å; A598-R607 PolarHBondContact N-O 3.32Å; A598-A858 HydrophobicContact CB-CB 3.84Å; A598-V861 HydrophobicContact CB-CG2 3.95Å
599	G	94.8	Very high	96.1	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.01	4%	0.039	C	C	.	.	G	3₁₀ helix	trans	-59.8	-31	177.4	0	0	0	0	0	114	V597 Y601 G602 L603 Q605 V631	V597-G599 VanDerWaalsContact C-N 3.26Å; V597-G599 PolarHBondContact O-N 2.87Å; G599-Y601 PolarHBondContact O-N 3.15Å; G599-Y601 VanDerWaalsContact O-N 3.1Å; G599-G602 PolarHBondContact O-N 3.33Å; G599-L603 WeakPolarHBondContact CA-O 3.18Å; G599-Q605 WeakPolarHBondContact CA-O 3.3Å; G599-Q605 PolarHBondContact N-O 3.31Å; G599-Q605 VanDerWaalsContact N-O 3.11Å; G599-V631 WeakPolarHBondContact O-CG2 3.44Å
600	C	95.3	Very high	96.1	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.014	4%	0.039	C	C	.	.	G	3₁₀ helix	trans	-65	-10.8	175.8	-64.8	0	0	0	0	113.4	V597 A598 P627 T628 Y629	V597-C600 VanDerWaalsContact O-CB 3.25Å; V597-C600 WeakPolarHBondContact O-CB 3.02Å; V597-C600 PolarHBondContact O-N 3.45Å; A598-C600 PolarHBondContact O-N 3.15Å; C600-P627 HydrophobicContact CB-CB 3.79Å; C600-P627 HydrophobicContact CB-CG 4.07Å; C600-T628 PolarHBondContact O-N 3.42Å; C600-T628 PolarHBondContact O-OG1 3.37Å; C600-Y629 PolarHBondContact O-N 2.86Å
601	Y	96.3	Very high	96.1	Very high	12 Å²	12	8.3 Å²	8.3	5%	0.047	4%	0.038	C	C	.	.	G	3₁₀ helix	trans	-115.8	23.6	-179.9	-55.7	-86.4	0	0	0	112.3	M596 V597 A598 G599 P625 P860 V861 A864	M596-Y601 HydrophobicContact CB-CE2 4.23Å; M596-Y601 HydrophobicContact CE-CE1 3.95Å; M596-Y601 HydrophobicContact CE-CE2 3.72Å; M596-Y601 WeakPolarHBondContact CE-OH 3.46Å; V597-Y601 VanDerWaalsContact O-CD2 3.3Å; V597-Y601 WeakPolarHBondContact O-CD2 3.44Å; V597-Y601 WeakPolarHBondContact O-CE2 3.48Å; A598-Y601 PolarHBondContact O-N 3.34Å; G599-Y601 PolarHBondContact O-N 3.15Å; G599-Y601 VanDerWaalsContact O-N 3.1Å; Y601-P625 HydrophobicContact CE1-CB 4.26Å; Y601-P625 HydrophobicContact CE1-CG 4.04Å; Y601-P625 PolarHBondContact OH-O 2.87Å; Y601-P860 WeakPolarHBondContact O-CB 3.38Å; Y601-V861 HydrophobicContact CD2-CG2 3.79Å; Y601-V861 HydrophobicContact CG-CG2 4.26Å; Y601-A864 HydrophobicContact CD1-CB 3.76Å; Y601-A864 HydrophobicContact CE1-CB 3.95Å
602	G	95	Very high	96.1	Very high	5 Å²	5	8.4 Å²	8.4	5%	0.052	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	49	169.6	0	0	0	0	0	113.8	G599 L660	G599-G602 PolarHBondContact O-N 3.33Å; G602-L660 WeakPolarHBondContact O-CD1 3.42Å
603	L	96.4	Very high	96.1	Very high	4 Å²	4	8 Å²	8	2%	0.021	4%	0.037	C	C	.	.			trans	-133.6	146.5	174.9	-65.5	176	0	0	0	112.2	A598 G599 Q605 F691 G835 A858 P860	A598-L603 HydrophobicContact CB-CD1 4.25Å; G599-L603 WeakPolarHBondContact CA-O 3.18Å; L603-Q605 HydrophobicContact CB-CG 3.91Å; L603-Q605 PolarHBondContact O-N 3.01Å; L603-F691 HydrophobicContact CD2-CE2 3.9Å; L603-F691 HydrophobicContact CD2-CZ 4.27Å; L603-G835 VanDerWaalsContact CD2-CA 3.49Å; L603-A858 HydrophobicContact CD1-CB 3.61Å; L603-P860 HydrophobicContact CD1-CG 4.08Å; L603-P860 HydrophobicContact CD2-CG 4.04Å; L603-P860 HydrophobicContact CG-CG 4.09Å
604	P	95.6	Very high	96.1	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.037	C	C	.	.	S	Bend	trans	-80.3	48.5	174.7	8.8	7.1	0	0	0	112.4	L660 L662 A665 T801 V802 L833	P604-L660 WeakPolarHBondContact CA-O 3.31Å; P604-L660 HydrophobicContact CB-CB 4.46Å; P604-L660 HydrophobicContact CG-CB 4.28Å; P604-L662 HydrophobicContact CB-CD2 4.39Å; P604-A665 HydrophobicContact CG-CB 3.58Å; P604-T801 WeakPolarHBondContact O-CA 3.01Å; P604-T801 WeakPolarHBondContact O-CB 3.49Å; P604-V802 PolarHBondContact O-N 2.92Å; P604-L833 HydrophobicContact CB-CD2 3.93Å; P604-L833 HydrophobicContact CG-CD2 3.61Å
605	Q	92.4	Very high	96.2	Very high	4 Å²	4	8 Å²	8	2%	0.019	4%	0.037	C	C	.	.	B	Isolated β-bridge	trans	-145.8	158.5	175.7	59.3	165.7	-26.7	0	0	112.7	A598 G599 L603 V802 L833	A598-Q605 HydrophobicContact CB-CG 4.26Å; G599-Q605 WeakPolarHBondContact CA-O 3.3Å; G599-Q605 PolarHBondContact N-O 3.31Å; G599-Q605 VanDerWaalsContact N-O 3.11Å; L603-Q605 HydrophobicContact CB-CG 3.91Å; L603-Q605 PolarHBondContact O-N 3.01Å; Q605-V802 WeakPolarHBondContact CA-O 3.33Å; Q605-V802 WeakPolarHBondContact CB-O 3.4Å; Q605-L833 PolarHBondContact NE2-O 3.36Å
606	F	91.1	Very high	96.2	Very high	56 Å²	56	10 Å²	10	25%	0.246	5%	0.047	C	C	.	.			trans	-114.8	59.7	176.8	-165.6	-90.8	0	0	0	110.4	V597 M608 V631 P803	V597-F606 HydrophobicContact CG1-CD1 4.46Å; V597-F606 HydrophobicContact CG1-CD2 3.66Å; V597-F606 HydrophobicContact CG1-CE1 4.44Å; V597-F606 HydrophobicContact CG1-CE2 3.67Å; V597-F606 HydrophobicContact CG1-CG 4.07Å; V597-F606 HydrophobicContact CG1-CZ 4.06Å; V597-F606 HydrophobicContact CG2-CE2 4.48Å; V597-F606 HydrophobicContact CG2-CZ 4.18Å; F606-M608 HydrophobicContact CE1-CE 4.17Å; F606-M608 HydrophobicContact CZ-CE 4.33Å; F606-M608 PolarHBondContact O-N 3.46Å; F606-V631 HydrophobicContact CD2-CG1 3.77Å; F606-V631 HydrophobicContact CE2-CG1 3.89Å; F606-P803 CarbonylContact C-O 3.43Å; F606-P803 WeakPolarHBondContact CA-O 3.21Å; F606-P803 PolarHBondContact N-O 2.72Å; F606-P803 VanDerWaalsContact O-O 3.09Å
607	R	93.9	Very high	96.1	Very high	11 Å²	11	11.2 Å²	11.2	4%	0.042	6%	0.056	C	C	.	.			trans	-91.8	105.8	-178.9	-176.9	-178.3	-176.4	102	-14.6	110.5	A598 R609 P803 T804 V805 G854 A856	A598-R607 HydrophobicContact CB-CB 3.94Å; A598-R607 PolarHBondContact N-O 3.32Å; R607-R609 HydrophobicContact CG-CG 4.26Å; R607-P803 PolarHBondContact N-O 3.4Å; R607-T804 HydrophobicContact CG-CG2 4.45Å; R607-T804 VanDerWaalsContact NH1-CG2 3.28Å; R607-V805 PolarHBondContact NH1-O 3.19Å; R607-G854 PolarHBondContact NH1-O 3.21Å; R607-G854 PolarHBondContact NH2-O 2.91Å; R607-A856 PolarHBondContact NH2-O 3.45Å
608	M	94.8	Very high	96	Very high	21 Å²	21	14.6 Å²	14.6	10%	0.103	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	132.6	173.7	-166	-178.8	-64.6	0	0	110.8	V566 M595 M596 V597 F606 V633 M645	V566-M608 HydrophobicContact CG2-CB 4.03Å; V566-M608 HydrophobicContact CG2-CG 3.71Å; V566-M608 HydrophobicContact CG2-SD 3.94Å; M595-M608 HydrophobicContact CB-CG 4.41Å; M595-M608 HydrophobicContact CB-SD 4.48Å; M595-M608 HydrophobicContact SD-SD 4.35Å; M596-M608 WeakPolarHBondContact O-CA 3.42Å; V597-M608 HydrophobicContact CG2-CB 4.21Å; V597-M608 HydrophobicContact CG2-CE 3.71Å; V597-M608 HydrophobicContact CG2-CG 4.05Å; F606-M608 HydrophobicContact CE1-CE 4.17Å; F606-M608 HydrophobicContact CZ-CE 4.33Å; F606-M608 PolarHBondContact O-N 3.46Å; M608-V633 HydrophobicContact CE-CG1 4.34Å; M608-M645 HydrophobicContact CE-CE 3.52Å; M608-M645 HydrophobicContact CE-SD 4.36Å; M608-M645 HydrophobicContact SD-CE 3.66Å
609	R	96.6	Very high	95.9	Very high	42 Å²	42	16.1 Å²	16.1	16%	0.158	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	154	177.4	-68.1	-62.1	-174.2	-108.9	11.4	111.3	E563 N564 M595 M596 R607 F611	E563-R609 HydrophobicContact CG-CB 4.46Å; E563-R609 WeakPolarHBondContact OE1-CB 3.33Å; E563-R609 WeakPolarHBondContact OE1-CD 3.37Å; E563-R609 WeakPolarHBondContact OE1-CG 3.42Å; E563-R609 IonicContact OE1-NE 3Å; N564-R609 WeakPolarHBondContact O-CD 3.5Å; M595-R609 CarbonylContact C-O 3.57Å; M595-R609 WeakPolarHBondContact CA-O 3.35Å; M596-R609 PolarHBondContact N-O 3.26Å; M596-R609 PolarHBondContact O-N 2.88Å; R607-R609 HydrophobicContact CG-CG 4.26Å; R609-F611 HydrophobicContact CB-CD2 4.49Å; R609-F611 HydrophobicContact CB-CE2 3.68Å; R609-F611 HydrophobicContact CB-CZ 3.98Å
610	V	97.7	Very high	96	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	132.5	177	-178.5	0	0	0	0	108.1	E563 N564 V566 I568 L569 L593 M595	E563-V610 CarbonylContact C-O 3.56Å; E563-V610 WeakPolarHBondContact CA-O 3.21Å; N564-V610 PolarHBondContact N-O 2.77Å; N564-V610 PolarHBondContact O-N 2.78Å; V566-V610 HydrophobicContact CB-CG2 4.49Å; V566-V610 HydrophobicContact CG2-CG2 4.28Å; I568-V610 HydrophobicContact CD1-CB 4.19Å; I568-V610 HydrophobicContact CD1-CG1 4.01Å; I568-V610 HydrophobicContact CG1-CG2 4.37Å; L569-V610 HydrophobicContact CD1-CG1 4.1Å; L569-V610 HydrophobicContact CD1-CG2 3.53Å; L569-V610 HydrophobicContact CG-CG1 4.45Å; L569-V610 HydrophobicContact CG-CG2 3.93Å; L593-V610 HydrophobicContact CD1-CG1 3.96Å; L593-V610 HydrophobicContact CD2-CG1 3.99Å; L593-V610 HydrophobicContact CG-CG1 3.88Å; M595-V610 HydrophobicContact CG-CG2 3.98Å
611	F	98.7	Very high	96.1	Very high	3 Å²	3	19.2 Å²	19.2	1%	0.013	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133	174	-63	-87.8	0	0	0	108	L561 M562 E563 L593 G594 M596 R609 Y624 V857 V861 L865	L561-F611 HydrophobicContact CD1-CB 4.24Å; L561-F611 HydrophobicContact CD1-CD1 4.22Å; M562-F611 CarbonylContact O-C 3.54Å; M562-F611 WeakPolarHBondContact O-CA 3.08Å; E563-F611 HydrophobicContact CB-CD1 4.11Å; E563-F611 HydrophobicContact CB-CE1 3.99Å; E563-F611 HydrophobicContact CG-CD1 3.95Å; E563-F611 HydrophobicContact CG-CE1 3.45Å; E563-F611 VanDerWaalsContact CG-CE1 3.45Å; E563-F611 HydrophobicContact CG-CZ 3.88Å; L593-F611 WeakPolarHBondContact CA-O 3.43Å; G594-F611 PolarHBondContact N-O 2.84Å; G594-F611 PolarHBondContact O-N 3.4Å; M596-F611 HydrophobicContact CB-CD2 3.96Å; M596-F611 HydrophobicContact CB-CE2 3.84Å; M596-F611 HydrophobicContact CG-CD2 3.91Å; M596-F611 HydrophobicContact CG-CE2 4.26Å; M596-F611 HydrophobicContact SD-CD2 3.71Å; M596-F611 HydrophobicContact SD-CE2 4.08Å; M596-F611 HydrophobicContact SD-CG 4.23Å; R609-F611 HydrophobicContact CB-CD2 4.49Å; R609-F611 HydrophobicContact CB-CE2 3.68Å; R609-F611 HydrophobicContact CB-CZ 3.98Å; F611-Y624 HydrophobicContact CB-CE1 4.01Å; F611-Y624 PolarHBondContact O-OH 3.48Å; F611-V857 HydrophobicContact CE1-CG1 4.05Å; F611-V857 HydrophobicContact CZ-CG1 4.02Å; F611-V861 HydrophobicContact CE1-CG1 4.3Å; F611-V861 HydrophobicContact CE2-CG1 3.83Å; F611-V861 HydrophobicContact CZ-CG1 3.54Å; F611-L865 HydrophobicContact CD1-CD1 3.4Å; F611-L865 HydrophobicContact CD2-CD1 4.43Å; F611-L865 HydrophobicContact CE1-CD1 3.52Å; F611-L865 HydrophobicContact CG-CD1 3.88Å; F611-L865 HydrophobicContact CZ-CD1 4.13Å
612	L	98.8	Very high	96.2	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	112.6	176.4	171.6	68.1	0	0	0	108.2	M549 L561 M562 A580 L581 L584 L593	M549-L612 HydrophobicContact CE-CD2 4.43Å; L561-L612 WeakPolarHBondContact CA-O 3.24Å; M562-L612 HydrophobicContact CB-CB 4.24Å; M562-L612 PolarHBondContact N-O 3.19Å; M562-L612 PolarHBondContact O-N 2.87Å; M562-L612 HydrophobicContact SD-CD2 4.44Å; A580-L612 HydrophobicContact CB-CD2 3.68Å; L581-L612 HydrophobicContact CB-CD1 4.48Å; L581-L612 HydrophobicContact CD1-CD1 3.77Å; L584-L612 HydrophobicContact CD1-CD1 4.12Å; L584-L612 HydrophobicContact CD1-CD2 3.73Å; L584-L612 HydrophobicContact CD1-CG 3.76Å; L593-L612 HydrophobicContact CB-CD1 4.16Å; L593-L612 HydrophobicContact CD1-CD1 4.47Å
613	W	98.8	Very high	96.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	138.2	170.3	-78.5	120.7	0	0	0	110.4	V560 L561 A591 R592 L621 P622 Y624 L865 L869	V560-W613 CarbonylContact O-C 3.55Å; V560-W613 WeakPolarHBondContact O-CA 3.07Å; V560-W613 VanDerWaalsContact O-CE3 3.31Å; L561-W613 HydrophobicContact CB-CE3 4Å; L561-W613 HydrophobicContact CB-CH2 4.07Å; L561-W613 HydrophobicContact CB-CZ3 3.61Å; L561-W613 HydrophobicContact CD1-CD2 3.83Å; L561-W613 HydrophobicContact CD1-CE3 3.9Å; L561-W613 HydrophobicContact CD1-CG 4.5Å; L561-W613 HydrophobicContact CD1-CH2 3.96Å; L561-W613 HydrophobicContact CD1-CZ2 3.92Å; L561-W613 HydrophobicContact CD1-CZ3 3.97Å; L561-W613 HydrophobicContact CD2-CH2 3.82Å; L561-W613 HydrophobicContact CD2-CZ2 4.23Å; L561-W613 HydrophobicContact CD2-CZ3 4.24Å; L561-W613 HydrophobicContact CG-CE3 4.47Å; L561-W613 HydrophobicContact CG-CH2 4.17Å; L561-W613 HydrophobicContact CG-CZ3 4.14Å; A591-W613 WeakPolarHBondContact CA-O 3.47Å; R592-W613 HydrophobicContact CG-CB 3.93Å; R592-W613 PolarHBondContact N-O 3.21Å; R592-W613 VanDerWaalsContact N-O 3.07Å; R592-W613 PolarHBondContact O-N 3.46Å; W613-L621 HydrophobicContact CB-CD1 4.13Å; W613-P622 HydrophobicContact CD2-CB 3.96Å; W613-P622 HydrophobicContact CD2-CG 4Å; W613-P622 HydrophobicContact CE3-CB 4.34Å; W613-P622 HydrophobicContact CE3-CG 3.92Å; W613-P622 HydrophobicContact CG-CB 4.31Å; W613-P622 HydrophobicContact CG-CG 4.49Å; W613-P622 HydrophobicContact CZ2-CB 4.2Å; W613-P622 HydrophobicContact CZ3-CG 4.23Å; W613-Y624 AromaticContact CD1-CE1 3.41Å; W613-Y624 VanDerWaalsContact CD1-CE1 3.41Å; W613-Y624 AromaticContact CD1-CZ 3.56Å; W613-Y624 AromaticContact NE1-CD1 3.97Å; W613-Y624 AromaticContact NE1-CE1 3.61Å; W613-L865 HydrophobicContact CZ2-CB 3.99Å; W613-L865 HydrophobicContact CZ2-CD2 3.76Å; W613-L865 HydrophobicContact CZ2-CG 4.45Å; W613-L869 HydrophobicContact CH2-CB 3.85Å; W613-L869 HydrophobicContact CH2-CD1 4.34Å; W613-L869 HydrophobicContact CH2-CD2 4.29Å; W613-L869 HydrophobicContact CH2-CG 4.38Å; W613-L869 HydrophobicContact CZ2-CB 4.47Å; W613-L869 HydrophobicContact CZ3-CB 4.49Å; W613-L869 HydrophobicContact CZ3-CD1 4.15Å
614	G	98.7	Very high	96.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	140.3	160.2	0	0	0	0	0	110	Y559 V560 Q590	Y559-G614 CarbonylContact C-O 3.44Å; Y559-G614 VanDerWaalsContact CA-O 3.31Å; Y559-G614 WeakPolarHBondContact CA-O 3.3Å; V560-G614 PolarHBondContact N-O 3.18Å; V560-G614 PolarHBondContact O-N 2.93Å; Q590-G614 CarbonylContact O-C 3.52Å; Q590-G614 VanDerWaalsContact O-CA 3.27Å; Q590-G614 WeakPolarHBondContact O-CA 3.42Å
615	A	98.5	Very high	96.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	138.4	169.5	0	0	0	0	0	110.2	K558 Y559 Y589 Q590 M619 L621	K558-A615 CarbonylContact O-C 3.57Å; K558-A615 WeakPolarHBondContact O-CA 2.91Å; Y559-A615 HydrophobicContact CD1-CB 3.65Å; Y559-A615 HydrophobicContact CE1-CB 3.54Å; Y589-A615 CarbonylContact C-O 3.53Å; Y589-A615 WeakPolarHBondContact CA-O 3.28Å; Q590-A615 HydrophobicContact CB-CB 4.4Å; Q590-A615 WeakPolarHBondContact CB-O 3.46Å; Q590-A615 PolarHBondContact N-O 3.24Å; Q590-A615 PolarHBondContact O-N 3.47Å; A615-M619 HydrophobicContact CB-CB 4.38Å; A615-L621 HydrophobicContact CB-CB 4.35Å; A615-L621 HydrophobicContact CB-CD1 3.84Å
616	L	97.7	Very high	96.7	Very high	42 Å²	42	19.3 Å²	19.3	22%	0.22	11%	0.105	C	C	.	.			trans	-57.4	153.6	170.4	-71.8	179.4	0	0	0	109.9	P557 K558 Y589 Q590 S618 M619	P557-L616 WeakPolarHBondContact O-CG 3.16Å; K558-L616 PolarHBondContact O-N 2.93Å; Y589-L616 HydrophobicContact CD1-CD2 4.18Å; Y589-L616 HydrophobicContact CD2-CD2 4.35Å; Y589-L616 HydrophobicContact CE1-CD2 3.6Å; Y589-L616 HydrophobicContact CE1-CG 3.83Å; Y589-L616 HydrophobicContact CE2-CD2 3.81Å; Q590-L616 PolarHBondContact NE2-O 2.91Å; L616-S618 PolarHBondContact O-N 3.48Å; L616-S618 VanDerWaalsContact O-N 3.11Å; L616-M619 HydrophobicContact CB-CG 4.24Å; L616-M619 WeakPolarHBondContact O-CB 3.36Å; L616-M619 PolarHBondContact O-N 3.44Å
617	S	94.8	Very high	96.9	Very high	27 Å²	27	17 Å²	17	19%	0.189	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.7	178.2	62.6	0	0	0	0	113.7	P280 N311 M619	P280-S617 WeakPolarHBondContact CB-OG 3.28Å; N311-S617 PolarHBondContact ND2-O 3.28Å; S617-M619 VanDerWaalsContact C-N 3.28Å
618	S	93.7	Very high	97	Very high	74 Å²	74	17.5 Å²	17.5	52%	0.517	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-4.5	172.8	63.5	0	0	0	0	113.7	L616	L616-S618 PolarHBondContact O-N 3.48Å; L616-S618 VanDerWaalsContact O-N 3.11Å
619	M	95.5	Very high	96.9	Very high	33 Å²	33	17.8 Å²	17.8	16%	0.163	10%	0.1	C	C	.	.	S	Bend	trans	-118.5	162.4	-172.3	-57.5	-57.2	-63.4	0	0	111.1	K558 Y559 Q590 A615 L616 S617 Y873	K558-M619 HydrophobicContact CB-CE 4.46Å; K558-M619 HydrophobicContact CB-CG 3.99Å; K558-M619 HydrophobicContact CB-SD 4.35Å; K558-M619 HydrophobicContact CD-CE 4.12Å; K558-M619 HydrophobicContact CD-SD 4.03Å; K558-M619 HydrophobicContact CG-CG 4.34Å; K558-M619 HydrophobicContact CG-SD 4.23Å; Y559-M619 HydrophobicContact CE1-CB 4.13Å; Y559-M619 HydrophobicContact CE2-CB 4.36Å; Y559-M619 HydrophobicContact CE2-CE 3.5Å; Y559-M619 HydrophobicContact CE2-CG 4.44Å; Q590-M619 PolarHBondContact NE2-O 2.59Å; A615-M619 HydrophobicContact CB-CB 4.38Å; L616-M619 HydrophobicContact CB-CG 4.24Å; L616-M619 WeakPolarHBondContact O-CB 3.36Å; L616-M619 PolarHBondContact O-N 3.44Å; S617-M619 VanDerWaalsContact C-N 3.28Å; M619-Y873 HydrophobicContact CE-CD2 4.37Å
620	V	96	Very high	96.7	Very high	59 Å²	59	20.7 Å²	20.7	36%	0.358	12%	0.118	S	C	.	.	P	Polyproline II helix	trans	-83.3	128.3	171.2	-179.1	0	0	0	0	109.1	Y559 A872	Y559-V620 WeakPolarHBondContact CE1-O 3.37Å; Y559-V620 PolarHBondContact OH-O 2.98Å; V620-A872 HydrophobicContact CB-CB 4.42Å; V620-A872 HydrophobicContact CG1-CB 4.5Å
621	L	97.5	Very high	96.2	Very high	9 Å²	9	22.2 Å²	22.2	5%	0.047	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-68	124.4	177.5	-178.4	66.3	0	0	0	111.1	T308 A310 Q590 R592 W613 A615	T308-L621 HydrophobicContact CG2-CD2 4.08Å; A310-L621 HydrophobicContact CB-CD2 4.38Å; Q590-L621 HydrophobicContact CB-CB 4.22Å; Q590-L621 HydrophobicContact CB-CD1 4.06Å; Q590-L621 HydrophobicContact CB-CD2 4.23Å; Q590-L621 HydrophobicContact CB-CG 4.4Å; R592-L621 HydrophobicContact CB-CD2 4.18Å; R592-L621 HydrophobicContact CG-CD1 4.38Å; R592-L621 HydrophobicContact CG-CD2 3.96Å; R592-L621 HydrophobicContact CG-CG 4.22Å; W613-L621 HydrophobicContact CB-CD1 4.13Å; A615-L621 HydrophobicContact CB-CB 4.35Å; A615-L621 HydrophobicContact CB-CD1 3.84Å
622	P	97.9	Very high	95.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-65.5	147.7	-177.1	-20	34.8	0	0	0	112.1	Y559 R592 W613 L869 A872	Y559-P622 HydrophobicContact CD1-CG 3.74Å; Y559-P622 HydrophobicContact CE1-CG 3.62Å; R592-P622 WeakPolarHBondContact CD-O 3.45Å; R592-P622 PolarHBondContact NH1-O 2.87Å; W613-P622 HydrophobicContact CD2-CB 3.96Å; W613-P622 HydrophobicContact CD2-CG 4Å; W613-P622 HydrophobicContact CE3-CB 4.34Å; W613-P622 HydrophobicContact CE3-CG 3.92Å; W613-P622 HydrophobicContact CG-CB 4.31Å; W613-P622 HydrophobicContact CG-CG 4.49Å; W613-P622 HydrophobicContact CZ2-CB 4.2Å; W613-P622 HydrophobicContact CZ3-CG 4.23Å; P622-L869 HydrophobicContact CG-CD1 4.25Å; P622-A872 HydrophobicContact CB-CB 4.04Å; P622-A872 HydrophobicContact CG-CB 3.92Å
623	K	98	Very high	93.8	Very high	12 Å²	12	29 Å²	29	5%	0.052	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-86.9	164.2	176.1	-59.8	178.3	177.6	178.3	0	111.6	C868 S877 D878 Q881 P882 Y884	K623-C868 VanDerWaalsContact O-CB 3.25Å; K623-C868 WeakPolarHBondContact O-CB 3.48Å; K623-S877 WeakPolarHBondContact CE-OG 3.34Å; K623-D878 VanDerWaalsContact CE-O 3.32Å; K623-D878 WeakPolarHBondContact CE-O 3.4Å; K623-D878 PolarHBondContact NZ-O 2.78Å; K623-D878 IonicContact NZ-OD1 3.28Å; K623-D878 PolarHBondContact NZ-OD1 3.43Å; K623-Q881 WeakPolarHBondContact CD-O 3.3Å; K623-Q881 VanDerWaalsContact CE-O 3.28Å; K623-Q881 WeakPolarHBondContact CE-O 3.44Å; K623-Q881 WeakPolarHBondContact CG-O 3.04Å; K623-P882 WeakPolarHBondContact CA-O 3.28Å; K623-Y884 HydrophobicContact CD-CD2 4.27Å
624	Y	98.4	Very high	92.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	129.8	167.8	-68.5	-64.3	0	0	0	110.5	Y306 R592 L593 G594 M596 F611 W613 V646 L865 P882 L883 Y884	Y306-Y624 AromaticContact CD1-CD2 3.91Å; Y306-Y624 HydrophobicContact CD1-CD2 3.91Å; Y306-Y624 HydrophobicContact CD1-CE2 4.2Å; Y306-Y624 HydrophobicContact CE1-CD2 4.45Å; Y306-Y624 HydrophobicContact CG-CD2 4.42Å; R592-Y624 HydrophobicContact CB-CE2 4.34Å; R592-Y624 HydrophobicContact CG-CE2 3.78Å; R592-Y624 PolarHBondContact O-OH 3.06Å; L593-Y624 WeakPolarHBondContact CA-OH 3.5Å; G594-Y624 VanDerWaalsContact N-CZ 3.3Å; G594-Y624 PolarHBondContact N-OH 3.35Å; G594-Y624 VanDerWaalsContact N-OH 3.12Å; M596-Y624 HydrophobicContact SD-CD1 4.06Å; F611-Y624 HydrophobicContact CB-CE1 4.01Å; F611-Y624 PolarHBondContact O-OH 3.48Å; W613-Y624 AromaticContact CD1-CE1 3.41Å; W613-Y624 VanDerWaalsContact CD1-CE1 3.41Å; W613-Y624 AromaticContact CD1-CZ 3.56Å; W613-Y624 AromaticContact NE1-CD1 3.97Å; W613-Y624 AromaticContact NE1-CE1 3.61Å; Y624-V646 HydrophobicContact CD1-CG2 4.19Å; Y624-V646 HydrophobicContact CD2-CG2 4.03Å; Y624-V646 HydrophobicContact CG-CG2 3.68Å; Y624-L865 HydrophobicContact CD1-CD2 4.05Å; Y624-L865 HydrophobicContact CE1-CD2 4.32Å; Y624-P882 PolarHBondContact N-O 3.3Å; Y624-L883 CarbonylContact O-C 3.58Å; Y624-L883 VanDerWaalsContact O-CA 3.3Å; Y624-L883 WeakPolarHBondContact O-CA 3.49Å; Y624-Y884 PolarHBondContact O-N 3.43Å
625	P	97.4	Very high	90.6	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	140	176.2	29.1	-33	0	0	0	109.6	M596 Y601 V646 A864 Y884 L886	M596-P625 HydrophobicContact CE-CG 3.48Å; M596-P625 VanDerWaalsContact CE-CG 3.48Å; Y601-P625 HydrophobicContact CE1-CB 4.26Å; Y601-P625 HydrophobicContact CE1-CG 4.04Å; Y601-P625 PolarHBondContact OH-O 2.87Å; P625-V646 WeakPolarHBondContact O-CG1 3.43Å; P625-A864 HydrophobicContact CB-CB 3.99Å; P625-A864 HydrophobicContact CG-CB 3.55Å; P625-Y884 CarbonylContact C-O 3.56Å; P625-Y884 VanDerWaalsContact CA-O 3.3Å; P625-Y884 WeakPolarHBondContact CA-O 3.35Å; P625-L886 HydrophobicContact CB-CD1 3.84Å; P625-L886 HydrophobicContact CB-CD2 4.06Å; P625-L886 HydrophobicContact CB-CG 3.85Å
626	L	96.1	Very high	89.3	Confident	16 Å²	16	41.7 Å²	41.7	8%	0.084	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-74.3	156	174.7	-80.7	163.2	0	0	0	111.5	Y648 L883 Y884 Q885	L626-Y648 HydrophobicContact CB-CE1 4.46Å; L626-Y648 HydrophobicContact CB-CE2 3.82Å; L626-Y648 HydrophobicContact CD1-CD1 4.33Å; L626-Y648 HydrophobicContact CD1-CE1 3.74Å; L626-Y648 HydrophobicContact CD2-CD1 4.25Å; L626-Y648 HydrophobicContact CD2-CD2 4.13Å; L626-Y648 HydrophobicContact CD2-CE1 4.32Å; L626-Y648 HydrophobicContact CD2-CE2 4.2Å; L626-Y648 HydrophobicContact CD2-CG 4.16Å; L626-Y648 HydrophobicContact CG-CE1 4.4Å; L626-Y648 HydrophobicContact CG-CE2 4.41Å; L626-L883 HydrophobicContact CD1-CB 4.31Å; L626-L883 HydrophobicContact CD2-CB 4.28Å; L626-L883 HydrophobicContact CD2-CD1 3.67Å; L626-L883 HydrophobicContact CD2-CG 4.4Å; L626-L883 HydrophobicContact CG-CB 4.08Å; L626-L883 HydrophobicContact CG-CD1 4.4Å; L626-Y884 PolarHBondContact N-O 3.02Å; L626-Q885 HydrophobicContact CD1-CB 4.27Å
627	P	95.3	Very high	88.5	Confident	8 Å²	8	40.5 Å²	40.5	5%	0.052	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-47.8	143.9	171.2	-32.3	38.6	0	0	0	113.9	C600 Y648 L656	C600-P627 HydrophobicContact CB-CB 3.79Å; C600-P627 HydrophobicContact CB-CG 4.07Å; P627-Y648 HydrophobicContact CB-CD2 4.21Å; P627-Y648 HydrophobicContact CB-CE2 4.15Å; P627-Y648 HydrophobicContact CG-CD2 4.21Å; P627-Y648 HydrophobicContact CG-CE2 4.46Å; P627-Y648 WeakPolarHBondContact O-CE2 3.33Å; P627-L656 VanDerWaalsContact O-CD2 3.3Å; P627-L656 WeakPolarHBondContact O-CD2 3.39Å
628	T	95.4	Very high	88.1	Confident	20 Å²	20	39.9 Å²	39.9	12%	0.123	25%	0.247	C	C	.	.			trans	-114.7	-12.8	174	52.8	0	0	0	0	112.8	C600 K657 L886 T891	C600-T628 PolarHBondContact O-N 3.42Å; C600-T628 PolarHBondContact O-OG1 3.37Å; T628-K657 PolarHBondContact O-N 3.28Å; T628-L886 HydrophobicContact CG2-CB 4.45Å; T628-L886 HydrophobicContact CG2-CD1 4.02Å; T628-T891 HydrophobicContact CG2-CG2 3.92Å
629	Y	94.2	Very high	87.6	Confident	28 Å²	28	42.7 Å²	42.7	11%	0.11	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	141.2	178.4	-75.4	-106.5	0	0	0	110.8	C600 V631 K657 K658 L660	C600-Y629 PolarHBondContact O-N 2.86Å; Y629-V631 VanDerWaalsContact C-N 3.26Å; Y629-V631 PolarHBondContact O-N 2.86Å; Y629-K657 CarbonylContact C-O 3.48Å; Y629-K657 VanDerWaalsContact CA-O 3.29Å; Y629-K657 WeakPolarHBondContact CA-O 3.5Å; Y629-K657 HydrophobicContact CD1-CB 3.75Å; Y629-K657 HydrophobicContact CD2-CB 4.37Å; Y629-K657 HydrophobicContact CE1-CB 3.66Å; Y629-K657 HydrophobicContact CE1-CD 4.13Å; Y629-K657 HydrophobicContact CE2-CB 4.29Å; Y629-K657 HydrophobicContact CE2-CD 4.03Å; Y629-K657 HydrophobicContact CG-CB 4.1Å; Y629-K657 WeakPolarHBondContact OH-CD 3.38Å; Y629-K658 WeakPolarHBondContact CD1-O 3.31Å; Y629-L660 HydrophobicContact CD1-CG 4.2Å; Y629-L660 HydrophobicContact CE1-CD1 4.25Å; Y629-L660 HydrophobicContact CE1-CD2 3.94Å; Y629-L660 HydrophobicContact CE1-CG 3.76Å
630	D	91.7	Very high	87	Confident	102 Å²	102	43.8 Å²	43.8	55%	0.545	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	75.8	-178.7	-172.1	19.2	0	0	0	111.1	L656 K657 A659	D630-L656 HydrophobicContact CB-CB 4.03Å; D630-K657 PolarHBondContact N-O 3.36Å; D630-A659 WeakPolarHBondContact O-CB 3.47Å
631	V	86.5	Confident	86.8	Confident	32 Å²	32	41 Å²	41	19%	0.194	25%	0.254	C	S	.	.			trans	-111.4	118.1	173.8	176.4	0	0	0	0	107.8	G599 F606 Y629 V633 A659	G599-V631 WeakPolarHBondContact O-CG2 3.44Å; F606-V631 HydrophobicContact CD2-CG1 3.77Å; F606-V631 HydrophobicContact CE2-CG1 3.89Å; Y629-V631 VanDerWaalsContact C-N 3.26Å; Y629-V631 PolarHBondContact O-N 2.86Å; V631-V633 PolarHBondContact O-N 3.23Å; V631-V633 VanDerWaalsContact O-N 3.08Å; V631-A659 HydrophobicContact CG2-CB 3.88Å
632	V	75.9	Confident	86.3	Confident	108 Å²	108	43.7 Å²	43.7	66%	0.655	27%	0.273	S	S	*	.			trans	-67.5	109.5	178.6	-178.5	0	0	0	0	109.3	R634	V632-R634 PolarHBondContact O-N 2.99Å; V632-R634 VanDerWaalsContact O-N 3.13Å
633	V	72.8	Confident	85.9	Confident	39 Å²	39	49.1 Å²	49.1	24%	0.236	30%	0.299	C	S	.	.			trans	-74.2	100.7	172.2	-176.4	0	0	0	0	107.9	V597 M608 V631 M645	V597-V633 HydrophobicContact CG2-CG1 4.25Å; V597-V633 HydrophobicContact CG2-CG2 4.2Å; M608-V633 HydrophobicContact CE-CG1 4.34Å; V631-V633 PolarHBondContact O-N 3.23Å; V631-V633 VanDerWaalsContact O-N 3.08Å; V633-M645 HydrophobicContact CG1-CE 3.8Å; V633-M645 HydrophobicContact CG1-CG 4.03Å; V633-M645 HydrophobicContact CG1-SD 3.68Å
634	R	67.3	Low	85.8	Confident	141 Å²	141	48.6 Å²	48.6	53%	0.532	30%	0.296	S	S	.	.			trans	-69.7	151	172.6	-64.2	-175.9	-178.9	176.4	1	109.7	V85 V632 G636	V85-R634 PolarHBondContact O-NH1 2.92Å; V632-R634 PolarHBondContact O-N 2.99Å; V632-R634 VanDerWaalsContact O-N 3.13Å; R634-G636 PolarHBondContact O-N 3.2Å
635	G	62.8	Low	85.6	Confident	91 Å²	91	49.8 Å²	49.8	94%	0.938	30%	0.302	S	S	*	.	S	Bend	trans	-61.7	59.7	-173.7	0	0	0	0	0	116.5
636	G	71.8	Confident	85.5	Confident	34 Å²	34	50 Å²	50	35%	0.351	30%	0.303	S	S	.	.			trans	-96.8	4	179.9	0	0	0	0	0	114.4	R634	R634-G636 PolarHBondContact O-N 3.2Å
637	A	79.8	Confident	85.3	Confident	18 Å²	18	50.3 Å²	50.3	15%	0.149	31%	0.308	C	S	.	.	S	Bend	trans	-67.1	130	173.1	0	0	0	0	0	109.8	M595 N639 M645	M595-A637 HydrophobicContact CE-CB 3.66Å; M595-A637 HydrophobicContact SD-CB 4.42Å; A637-N639 PolarHBondContact O-N 3.28Å; A637-M645 HydrophobicContact CB-CE 3.75Å
638	P	85.7	Confident	85.1	Confident	14 Å²	14	51.8 Å²	51.8	9%	0.091	31%	0.313	C	S	.	.			trans	-57.1	137.9	172.3	-24	35.7	0	0	0	110.7	V566 L569 K570 A640 F641 S642	V566-P638 HydrophobicContact CG1-CG 3.86Å; L569-P638 HydrophobicContact CB-CB 4.4Å; L569-P638 HydrophobicContact CB-CG 3.89Å; K570-P638 HydrophobicContact CD-CG 4.36Å; K570-P638 HydrophobicContact CG-CB 3.99Å; K570-P638 HydrophobicContact CG-CG 3.56Å; P638-A640 VanDerWaalsContact C-N 3.27Å; P638-A640 PolarHBondContact O-N 3.47Å; P638-A640 VanDerWaalsContact O-N 3.14Å; P638-F641 CarbonylContact O-C 3.43Å; P638-F641 VanDerWaalsContact O-C 3.24Å; P638-F641 WeakPolarHBondContact O-CA 3.34Å; P638-F641 PolarHBondContact O-N 2.96Å; P638-S642 PolarHBondContact O-N 3.39Å
639	N	83.9	Confident	84.6	Confident	132 Å²	132	55.4 Å²	55.4	71%	0.706	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-52.5	-42.4	-172.6	-68.3	-12	0	0	0	113.4	A637 F641 S642	A637-N639 PolarHBondContact O-N 3.28Å; N639-F641 PolarHBondContact O-N 3Å; N639-S642 PolarHBondContact O-N 3.33Å; N639-S642 PolarHBondContact O-OG 2.88Å
640	A	83.8	Confident	83.9	Confident	56 Å²	56	63.6 Å²	63.6	46%	0.463	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-65.2	-18.6	178.3	0	0	0	0	0	114	P638	P638-A640 VanDerWaalsContact C-N 3.27Å; P638-A640 PolarHBondContact O-N 3.47Å; P638-A640 VanDerWaalsContact O-N 3.14Å
641	F	90	Very high	83.5	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.009	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-126.7	22.6	-177.3	-62.8	-87.7	0	0	0	112	V236 L569 K578 L593 M595 P638 N639 Q643 C644	V236-F641 HydrophobicContact CB-CE1 4.5Å; V236-F641 HydrophobicContact CG1-CE1 4.41Å; V236-F641 HydrophobicContact CG2-CD1 3.98Å; V236-F641 HydrophobicContact CG2-CE1 3.33Å; V236-F641 HydrophobicContact CG2-CZ 3.67Å; L569-F641 HydrophobicContact CB-CD2 3.74Å; L569-F641 HydrophobicContact CB-CE2 4.03Å; L569-F641 HydrophobicContact CB-CG 4.27Å; L569-F641 HydrophobicContact CD1-CB 4.09Å; L569-F641 HydrophobicContact CD1-CD1 4.45Å; L569-F641 HydrophobicContact CD1-CD2 4.38Å; L569-F641 HydrophobicContact CD1-CG 4.06Å; L569-F641 HydrophobicContact CD2-CD1 4.09Å; L569-F641 HydrophobicContact CD2-CD2 4.09Å; L569-F641 HydrophobicContact CD2-CE1 3.94Å; L569-F641 HydrophobicContact CD2-CE2 3.96Å; L569-F641 HydrophobicContact CD2-CG 4.15Å; L569-F641 HydrophobicContact CD2-CZ 3.87Å; L569-F641 HydrophobicContact CG-CD2 4.27Å; L569-F641 HydrophobicContact CG-CG 4.39Å; K578-F641 HydrophobicContact CG-CZ 3.99Å; L593-F641 HydrophobicContact CD2-CD1 4.24Å; M595-F641 HydrophobicContact CE-CB 4.29Å; M595-F641 WeakPolarHBondContact CE-O 3.31Å; P638-F641 CarbonylContact O-C 3.43Å; P638-F641 VanDerWaalsContact O-C 3.24Å; P638-F641 WeakPolarHBondContact O-CA 3.34Å; P638-F641 PolarHBondContact O-N 2.96Å; N639-F641 PolarHBondContact O-N 3Å; F641-Q643 PolarHBondContact O-N 3.46Å; F641-C644 HydrophobicContact CB-CB 4.39Å; F641-C644 VanDerWaalsContact O-CB 3.32Å; F641-C644 WeakPolarHBondContact O-CB 3.33Å; F641-C644 PolarHBondContact O-N 2.91Å
642	S	88.1	Confident	83.4	Confident	64 Å²	64	67.5 Å²	67.5	45%	0.448	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-55.3	-38.1	-179.5	53.5	0	0	0	0	112.3	P638 N639 C644 M645	P638-S642 PolarHBondContact O-N 3.39Å; N639-S642 PolarHBondContact O-N 3.33Å; N639-S642 PolarHBondContact O-OG 2.88Å; S642-C644 PolarHBondContact O-N 2.96Å; S642-C644 VanDerWaalsContact O-N 3.16Å; S642-M645 PolarHBondContact O-N 3.31Å
643	Q	90.1	Very high	83.8	Confident	114 Å²	114	73.8 Å²	73.8	53%	0.533	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-72.4	2.1	176.9	-61.7	-74.6	5.3	0	0	114.5	V304 Y306 F641	V304-Q643 HydrophobicContact CG1-CB 4.44Å; V304-Q643 HydrophobicContact CG1-CG 4.13Å; Y306-Q643 PolarHBondContact N-O 3.31Å; F641-Q643 PolarHBondContact O-N 3.46Å
644	C	94.8	Very high	84.5	Confident	1 Å²	1	74.1 Å²	74.1	1%	0.007	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-105.3	7.1	178.5	-58.8	0	0	0	0	112.6	S307 L593 G594 M595 F641 S642 V646	S307-C644 PolarHBondContact OG-SG 3.24Å; L593-C644 HydrophobicContact CD2-CB 3.79Å; L593-C644 WeakPolarHBondContact O-CB 3.27Å; G594-C644 CarbonylContact C-O 3.47Å; G594-C644 VanDerWaalsContact CA-O 3.29Å; G594-C644 WeakPolarHBondContact CA-O 3.4Å; M595-C644 HydrophobicContact CE-CB 4.07Å; M595-C644 PolarHBondContact N-O 2.95Å; F641-C644 HydrophobicContact CB-CB 4.39Å; F641-C644 VanDerWaalsContact O-CB 3.32Å; F641-C644 WeakPolarHBondContact O-CB 3.33Å; F641-C644 PolarHBondContact O-N 2.91Å; S642-C644 PolarHBondContact O-N 2.96Å; S642-C644 VanDerWaalsContact O-N 3.16Å; C644-V646 PolarHBondContact O-N 3.42Å
645	M	94.7	Very high	85.5	Confident	26 Å²	26	73.7 Å²	73.7	13%	0.128	43%	0.426	C	S	.	.	B	Isolated β-bridge	trans	-75	122.3	176.7	-176.3	60.5	74.4	0	0	111.2	Y306 M595 M608 V633 A637 S642 A647	Y306-M645 PolarHBondContact OH-O 3.03Å; M595-M645 HydrophobicContact CB-CE 4.36Å; M595-M645 HydrophobicContact CB-SD 4Å; M595-M645 HydrophobicContact CE-CE 4.5Å; M608-M645 HydrophobicContact CE-CE 3.52Å; M608-M645 HydrophobicContact CE-SD 4.36Å; M608-M645 HydrophobicContact SD-CE 3.66Å; V633-M645 HydrophobicContact CG1-CE 3.8Å; V633-M645 HydrophobicContact CG1-CG 4.03Å; V633-M645 HydrophobicContact CG1-SD 3.68Å; A637-M645 HydrophobicContact CB-CE 3.75Å; S642-M645 PolarHBondContact O-N 3.31Å; M645-A647 HydrophobicContact CG-CB 4.2Å; M645-A647 PolarHBondContact O-N 3.43Å; M645-A647 VanDerWaalsContact O-N 3.14Å
646	V	94.8	Very high	86.9	Confident	3 Å²	3	71.6 Å²	71.6	2%	0.018	39%	0.393	C	S	.	.			trans	-81.8	94.5	175.4	-178	0	0	0	0	109.1	Y306 M595 M596 Y624 P625 C644 L883	Y306-V646 HydrophobicContact CD1-CG2 4.38Å; Y306-V646 HydrophobicContact CE1-CG2 3.8Å; M595-V646 VanDerWaalsContact O-CB 3.27Å; M595-V646 WeakPolarHBondContact O-CB 3.29Å; M595-V646 WeakPolarHBondContact O-CG2 3.27Å; M595-V646 PolarHBondContact O-N 2.69Å; M596-V646 HydrophobicContact CG-CB 4Å; M596-V646 HydrophobicContact CG-CG1 4.39Å; M596-V646 HydrophobicContact CG-CG2 3.85Å; Y624-V646 HydrophobicContact CD1-CG2 4.19Å; Y624-V646 HydrophobicContact CD2-CG2 4.03Å; Y624-V646 HydrophobicContact CG-CG2 3.68Å; P625-V646 WeakPolarHBondContact O-CG1 3.43Å; C644-V646 PolarHBondContact O-N 3.42Å; V646-L883 HydrophobicContact CG1-CD2 4Å
647	A	92.6	Very high	87.8	Confident	23 Å²	23	72.6 Å²	72.6	19%	0.19	39%	0.388	C	S	.	.	S	Bend	trans	-147.4	166.4	176.8	0	0	0	0	0	110.3	M645	M645-A647 HydrophobicContact CG-CB 4.2Å; M645-A647 PolarHBondContact O-N 3.43Å; M645-A647 VanDerWaalsContact O-N 3.14Å
648	Y	90.6	Very high	88.5	Confident	39 Å²	39	79.8 Å²	79.8	15%	0.153	42%	0.416	C	S	.	.			trans	-70.6	149	164.5	-75.5	-89.1	0	0	0	109.9	L626 P627 Q652 P654 L656	L626-Y648 HydrophobicContact CB-CE1 4.46Å; L626-Y648 HydrophobicContact CB-CE2 3.82Å; L626-Y648 HydrophobicContact CD1-CD1 4.33Å; L626-Y648 HydrophobicContact CD1-CE1 3.74Å; L626-Y648 HydrophobicContact CD2-CD1 4.25Å; L626-Y648 HydrophobicContact CD2-CD2 4.13Å; L626-Y648 HydrophobicContact CD2-CE1 4.32Å; L626-Y648 HydrophobicContact CD2-CE2 4.2Å; L626-Y648 HydrophobicContact CD2-CG 4.16Å; L626-Y648 HydrophobicContact CG-CE1 4.4Å; L626-Y648 HydrophobicContact CG-CE2 4.41Å; P627-Y648 HydrophobicContact CB-CD2 4.21Å; P627-Y648 HydrophobicContact CB-CE2 4.15Å; P627-Y648 HydrophobicContact CG-CD2 4.21Å; P627-Y648 HydrophobicContact CG-CE2 4.46Å; P627-Y648 WeakPolarHBondContact O-CE2 3.33Å; Y648-Q652 HydrophobicContact CD1-CB 4.35Å; Y648-P654 HydrophobicContact CD1-CB 4.14Å; Y648-P654 HydrophobicContact CD1-CG 3.73Å; Y648-P654 HydrophobicContact CD2-CG 3.71Å; Y648-P654 HydrophobicContact CE1-CB 3.75Å; Y648-P654 HydrophobicContact CE1-CG 3.81Å; Y648-P654 HydrophobicContact CE2-CB 4.17Å; Y648-P654 HydrophobicContact CE2-CG 3.79Å; Y648-P654 HydrophobicContact CG-CG 3.68Å; Y648-L656 HydrophobicContact CD2-CD1 4.47Å; Y648-L656 HydrophobicContact CE2-CD1 4.43Å; Y648-L656 HydrophobicContact CE2-CD2 3.89Å
649	D	84.9	Confident	88.9	Confident	96 Å²	96	80.6 Å²	80.6	51%	0.513	42%	0.424	S	S	.	.			trans	-61.9	147.2	170.5	-56.6	-39.9	0	0	0	110.2	T651 Q652	D649-T651 PolarHBondContact O-N 3.09Å; D649-Q652 HydrophobicContact CB-CG 4.08Å; D649-Q652 WeakPolarHBondContact O-CB 3.48Å; D649-Q652 PolarHBondContact O-N 3.46Å; D649-Q652 PolarHBondContact OD2-NE2 2.97Å
650	E	80	Confident	89.5	Confident	201 Å²	201	75.2 Å²	75.2	94%	0.939	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.2	179.8	-61.8	-174.9	167.5	0	0	113.5
651	T	83.5	Confident	90.2	Very high	125 Å²	125	74.9 Å²	74.9	77%	0.767	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-21.7	177.1	60.7	0	0	0	0	112.9	D649	D649-T651 PolarHBondContact O-N 3.09Å
652	Q	84.6	Confident	90.5	Very high	91 Å²	91	74.8 Å²	74.8	43%	0.425	39%	0.385	S	S	.	.			trans	-86.3	133.2	-179.9	-62.5	-178.1	23.4	0	0	109.9	Y648 D649 P654	Y648-Q652 HydrophobicContact CD1-CB 4.35Å; D649-Q652 HydrophobicContact CB-CG 4.08Å; D649-Q652 WeakPolarHBondContact O-CB 3.48Å; D649-Q652 PolarHBondContact O-N 3.46Å; D649-Q652 PolarHBondContact OD2-NE2 2.97Å; Q652-P654 VanDerWaalsContact C-CD 3.42Å; Q652-P654 VanDerWaalsContact O-CD 3.27Å; Q652-P654 WeakPolarHBondContact O-CD 3.37Å
653	R	83	Confident	90.9	Very high	240 Å²	240	72.4 Å²	72.4	91%	0.906	37%	0.37	S	S	*	.			trans	-118.6	73.2	177.7	-64.6	-171	-178.6	-159.3	0.1	110.8
654	P	87.7	Confident	91.3	Very high	46 Å²	46	69.4 Å²	69.4	30%	0.299	36%	0.358	S	S	.	.			trans	-68.6	156.3	179	31.5	-38.1	0	0	0	111.9	Y648 Q652 L656	Y648-P654 HydrophobicContact CD1-CB 4.14Å; Y648-P654 HydrophobicContact CD1-CG 3.73Å; Y648-P654 HydrophobicContact CD2-CG 3.71Å; Y648-P654 HydrophobicContact CE1-CB 3.75Å; Y648-P654 HydrophobicContact CE1-CG 3.81Å; Y648-P654 HydrophobicContact CE2-CB 4.17Å; Y648-P654 HydrophobicContact CE2-CG 3.79Å; Y648-P654 HydrophobicContact CG-CG 3.68Å; Q652-P654 VanDerWaalsContact C-CD 3.42Å; Q652-P654 VanDerWaalsContact O-CD 3.27Å; Q652-P654 WeakPolarHBondContact O-CD 3.37Å; P654-L656 HydrophobicContact CB-CD2 4.12Å; P654-L656 HydrophobicContact CB-CG 4.22Å; P654-L656 HydrophobicContact CG-CD1 4.01Å; P654-L656 HydrophobicContact CG-CD2 4.1Å; P654-L656 HydrophobicContact CG-CG 3.87Å; P654-L656 PolarHBondContact O-N 3.21Å
655	S	88.5	Confident	91.4	Very high	131 Å²	131	69.4 Å²	69.4	92%	0.916	36%	0.358	S	S	*	.			trans	-84.6	100.6	169.2	-172	0	0	0	0	109.4
656	L	91.5	Very high	91.5	Very high	47 Å²	47	68.2 Å²	68.2	25%	0.246	35%	0.352	C	S	.	.			trans	-105.7	154.9	-179.4	-58.7	179.4	0	0	0	111.4	P627 D630 Y648 P654	P627-L656 VanDerWaalsContact O-CD2 3.3Å; P627-L656 WeakPolarHBondContact O-CD2 3.39Å; D630-L656 HydrophobicContact CB-CB 4.03Å; Y648-L656 HydrophobicContact CD2-CD1 4.47Å; Y648-L656 HydrophobicContact CE2-CD1 4.43Å; Y648-L656 HydrophobicContact CE2-CD2 3.89Å; P654-L656 HydrophobicContact CB-CD2 4.12Å; P654-L656 HydrophobicContact CB-CG 4.22Å; P654-L656 HydrophobicContact CG-CD1 4.01Å; P654-L656 HydrophobicContact CG-CD2 4.1Å; P654-L656 HydrophobicContact CG-CG 3.87Å; P654-L656 PolarHBondContact O-N 3.21Å
657	K	92.2	Very high	91.6	Very high	55 Å²	55	69.7 Å²	69.7	24%	0.239	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	149.6	172.8	-68.9	-171.9	179.1	-171.8	0	110.2	T628 Y629 D630 A659 E690 T891	T628-K657 PolarHBondContact O-N 3.28Å; Y629-K657 CarbonylContact C-O 3.48Å; Y629-K657 VanDerWaalsContact CA-O 3.29Å; Y629-K657 WeakPolarHBondContact CA-O 3.5Å; Y629-K657 HydrophobicContact CD1-CB 3.75Å; Y629-K657 HydrophobicContact CD2-CB 4.37Å; Y629-K657 HydrophobicContact CE1-CB 3.66Å; Y629-K657 HydrophobicContact CE1-CD 4.13Å; Y629-K657 HydrophobicContact CE2-CB 4.29Å; Y629-K657 HydrophobicContact CE2-CD 4.03Å; Y629-K657 HydrophobicContact CG-CB 4.1Å; Y629-K657 WeakPolarHBondContact OH-CD 3.38Å; D630-K657 PolarHBondContact N-O 3.36Å; K657-A659 PolarHBondContact O-N 3.17Å; K657-E690 IonicContact NZ-OE1 2.66Å; K657-E690 PolarHBondContact NZ-OE1 3.02Å; K657-T891 PolarHBondContact NZ-O 3.08Å
658	K	94	Very high	91.8	Very high	170 Å²	170	69 Å²	69	74%	0.739	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.9	134.5	175.8	-173.9	-175.5	178	-175.1	0	110.7	Y629 L660	Y629-K658 WeakPolarHBondContact CD1-O 3.31Å; K658-L660 PolarHBondContact O-N 2.96Å
659	A	94.9	Very high	92.2	Very high	31 Å²	31	67.9 Å²	67.9	26%	0.256	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-49.5	135.2	172.6	0	0	0	0	0	112.2	D630 V631 K657	D630-A659 WeakPolarHBondContact O-CB 3.47Å; V631-A659 HydrophobicContact CG2-CB 3.88Å; K657-A659 PolarHBondContact O-N 3.17Å
660	L	96.1	Very high	92.8	Very high	19 Å²	19	64.7 Å²	64.7	10%	0.099	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-80.3	145.1	178.2	-62.7	-174.9	0	0	0	111.2	G602 P604 Y629 K658 D664 F691	G602-L660 WeakPolarHBondContact O-CD1 3.42Å; P604-L660 WeakPolarHBondContact CA-O 3.31Å; P604-L660 HydrophobicContact CB-CB 4.46Å; P604-L660 HydrophobicContact CG-CB 4.28Å; Y629-L660 HydrophobicContact CD1-CG 4.2Å; Y629-L660 HydrophobicContact CE1-CD1 4.25Å; Y629-L660 HydrophobicContact CE1-CD2 3.94Å; Y629-L660 HydrophobicContact CE1-CG 3.76Å; K658-L660 PolarHBondContact O-N 2.96Å; L660-D664 HydrophobicContact CB-CB 4.36Å; L660-D664 HydrophobicContact CD2-CB 4.02Å; L660-F691 HydrophobicContact CD1-CB 3.95Å; L660-F691 HydrophobicContact CD1-CD2 3.44Å; L660-F691 VanDerWaalsContact CD1-CD2 3.44Å; L660-F691 HydrophobicContact CD1-CE2 4.24Å; L660-F691 HydrophobicContact CD1-CG 3.9Å
661	L	97	Very high	93.7	Very high	49 Å²	49	63.4 Å²	63.4	26%	0.257	33%	0.327	S	S	.	.			trans	-116.1	171.1	176.2	-57.2	173.9	0	0	0	110.5	G663 D664 A665 W798 D799 T801	L661-G663 PolarHBondContact O-N 2.78Å; L661-D664 PolarHBondContact N-OD2 3.27Å; L661-D664 WeakPolarHBondContact O-CB 3.49Å; L661-D664 PolarHBondContact O-N 3.45Å; L661-A665 PolarHBondContact O-N 3.34Å; L661-W798 WeakPolarHBondContact CB-O 3.37Å; L661-D799 HydrophobicContact CD1-CB 4.35Å; L661-T801 HydrophobicContact CD2-CG2 4.01Å
662	L	97	Very high	94.4	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-56.9	-36.2	-178.6	-68.9	177.8	0	0	0	113	P604 D664 A665 F666 L796 W797 W798 Q800 V802 L833	P604-L662 HydrophobicContact CB-CD2 4.39Å; L662-D664 PolarHBondContact O-N 2.73Å; L662-A665 PolarHBondContact O-N 3.49Å; L662-A665 VanDerWaalsContact O-N 3.14Å; L662-F666 HydrophobicContact CB-CE1 4.11Å; L662-F666 HydrophobicContact CB-CE2 4.47Å; L662-F666 HydrophobicContact CB-CZ 3.72Å; L662-F666 HydrophobicContact CD1-CZ 4.37Å; L662-F666 HydrophobicContact CD2-CE1 3.6Å; L662-F666 HydrophobicContact CD2-CZ 3.76Å; L662-F666 HydrophobicContact CG-CE1 4.37Å; L662-F666 HydrophobicContact CG-CZ 4.13Å; L662-F666 PolarHBondContact O-N 2.84Å; L662-L796 HydrophobicContact CD1-CB 3.69Å; L662-L796 HydrophobicContact CD1-CD1 3.99Å; L662-L796 HydrophobicContact CD1-CD2 4.07Å; L662-L796 HydrophobicContact CD1-CG 4.13Å; L662-W797 WeakPolarHBondContact CD1-O 3.2Å; L662-W798 PolarHBondContact N-O 3.38Å; L662-Q800 HydrophobicContact CD1-CB 4.35Å; L662-Q800 VanDerWaalsContact CG-O 3.3Å; L662-Q800 WeakPolarHBondContact CG-O 3.48Å; L662-Q800 PolarHBondContact N-O 3.01Å; L662-V802 HydrophobicContact CD1-CG2 4.41Å; L662-V802 HydrophobicContact CD2-CG2 3.9Å; L662-L833 HydrophobicContact CD2-CD1 4.16Å; L662-L833 HydrophobicContact CD2-CD2 3.43Å; L662-L833 VanDerWaalsContact CD2-CD2 3.43Å; L662-L833 HydrophobicContact CD2-CG 4.4Å
663	G	97.2	Very high	95	Very high	14 Å²	14	60.8 Å²	60.8	14%	0.144	31%	0.308	C	S	.	.	H	α-helix	trans	-59.4	-32.5	173.8	0	0	0	0	0	113.4	L661 A665 S667 Q692 W798	L661-G663 PolarHBondContact O-N 2.78Å; G663-A665 VanDerWaalsContact C-N 3.33Å; G663-S667 WeakPolarHBondContact O-CB 3.15Å; G663-S667 PolarHBondContact O-OG 3.19Å; G663-Q692 PolarHBondContact O-NE2 3.23Å; G663-W798 PolarHBondContact N-O 2.84Å
664	D	97.5	Very high	95.7	Very high	51 Å²	51	50 Å²	50	27%	0.273	27%	0.268	S	S	.	.	H	α-helix	trans	-72.2	-30	177.8	-60.1	-51.8	0	0	0	112.1	L660 L661 L662 T689 Q692	L660-D664 HydrophobicContact CB-CB 4.36Å; L660-D664 HydrophobicContact CD2-CB 4.02Å; L661-D664 PolarHBondContact N-OD2 3.27Å; L661-D664 WeakPolarHBondContact O-CB 3.49Å; L661-D664 PolarHBondContact O-N 3.45Å; L662-D664 PolarHBondContact O-N 2.73Å; D664-T689 PolarHBondContact O-OG1 3.13Å; D664-Q692 WeakPolarHBondContact O-CG 3.24Å; D664-Q692 PolarHBondContact O-NE2 3.34Å
665	A	97.4	Very high	96.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-82.7	-43.5	-172.9	0	0	0	0	0	114.9	P604 L661 L662 G663 F691 R832 L833	P604-A665 HydrophobicContact CG-CB 3.58Å; L661-A665 PolarHBondContact O-N 3.34Å; L662-A665 PolarHBondContact O-N 3.49Å; L662-A665 VanDerWaalsContact O-N 3.14Å; G663-A665 VanDerWaalsContact C-N 3.33Å; A665-F691 HydrophobicContact CB-CD1 4.19Å; A665-F691 HydrophobicContact CB-CE1 3.93Å; A665-R832 VanDerWaalsContact O-CD 3.29Å; A665-R832 WeakPolarHBondContact O-CD 3.3Å; A665-R832 PolarHBondContact O-NH1 3.08Å; A665-L833 HydrophobicContact CB-CD2 4.39Å
666	F	95.7	Very high	96.6	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.009	24%	0.238	C	C	.	.	H	α-helix	trans	-142.7	20.7	-167.9	53.3	-105.1	0	0	0	115.4	L662 D668 L669 W798 L825 E829 L833	L662-F666 HydrophobicContact CB-CE1 4.11Å; L662-F666 HydrophobicContact CB-CE2 4.47Å; L662-F666 HydrophobicContact CB-CZ 3.72Å; L662-F666 HydrophobicContact CD1-CZ 4.37Å; L662-F666 HydrophobicContact CD2-CE1 3.6Å; L662-F666 HydrophobicContact CD2-CZ 3.76Å; L662-F666 HydrophobicContact CG-CE1 4.37Å; L662-F666 HydrophobicContact CG-CZ 4.13Å; L662-F666 PolarHBondContact O-N 2.84Å; F666-D668 PolarHBondContact O-N 3.33Å; F666-L669 HydrophobicContact CB-CD1 3.69Å; F666-L669 HydrophobicContact CB-CG 4.06Å; F666-L669 PolarHBondContact O-N 3.45Å; F666-W798 HydrophobicContact CD2-CH2 4.45Å; F666-W798 AromaticContact CD2-CZ3 3.76Å; F666-W798 HydrophobicContact CD2-CZ3 3.76Å; F666-W798 HydrophobicContact CE2-CE3 4.32Å; F666-W798 HydrophobicContact CE2-CH2 4.36Å; F666-W798 AromaticContact CE2-CZ3 3.6Å; F666-W798 HydrophobicContact CE2-CZ3 3.6Å; F666-L825 HydrophobicContact CE2-CD2 4.18Å; F666-L825 HydrophobicContact CZ-CD2 3.97Å; F666-E829 HydrophobicContact CB-CG 3.97Å; F666-E829 HydrophobicContact CD1-CB 4.27Å; F666-E829 HydrophobicContact CD1-CG 4.31Å; F666-E829 HydrophobicContact CD2-CG 4.19Å; F666-E829 HydrophobicContact CG-CB 4.39Å; F666-E829 HydrophobicContact CG-CG 3.92Å; F666-L833 HydrophobicContact CE1-CD1 4.17Å; F666-L833 HydrophobicContact CE1-CD2 4.08Å; F666-L833 HydrophobicContact CE1-CG 4.18Å
667	S	97.6	Very high	96.9	Very high	33 Å²	33	49.3 Å²	49.3	23%	0.231	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-13.5	174.7	60.5	0	0	0	0	114.8	G663 K688 Q692	G663-S667 WeakPolarHBondContact O-CB 3.15Å; G663-S667 PolarHBondContact O-OG 3.19Å; S667-K688 PolarHBondContact O-NZ 3.03Å; S667-Q692 PolarHBondContact OG-NE2 3.25Å
668	D	98	Very high	97.1	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.043	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-16.3	174.2	66.8	-44.3	0	0	0	114.1	F666 K688 Q692 R696 R832	F666-D668 PolarHBondContact O-N 3.33Å; D668-K688 HydrophobicContact CB-CD 4.39Å; D668-K688 HydrophobicContact CB-CG 4.22Å; D668-Q692 WeakPolarHBondContact OD1-CG 3.3Å; D668-Q692 PolarHBondContact OD1-NE2 3.44Å; D668-R696 IonicContact OD2-NH1 3.7Å; D668-R696 PolarHBondContact OD2-NH1 3.02Å; D668-R832 IonicContact OD1-CZ 3.76Å; D668-R832 IonicContact OD1-NH1 3.53Å; D668-R832 PolarHBondContact OD1-NH1 3.29Å; D668-R832 IonicContact OD1-NH2 3.47Å; D668-R832 IonicContact OD2-CZ 3.46Å; D668-R832 IonicContact OD2-NH1 2.7Å; D668-R832 PolarHBondContact OD2-NH1 3.16Å; D668-R832 IonicContact OD2-NH2 3.76Å; D668-R832 PolarHBondContact OD2-NH2 3.14Å; D668-R832 VanDerWaalsContact OD2-NH2 3.15Å
669	L	98.3	Very high	97.1	Very high	16 Å²	16	45.9 Å²	45.9	8%	0.084	24%	0.244	C	C	.	.	S	Bend	trans	-67.2	141.8	-175.3	-64.9	-175.2	0	0	0	111.9	F666 Y683 L718 E829	F666-L669 HydrophobicContact CB-CD1 3.69Å; F666-L669 HydrophobicContact CB-CG 4.06Å; F666-L669 PolarHBondContact O-N 3.45Å; L669-Y683 HydrophobicContact CD2-CD1 4.37Å; L669-Y683 HydrophobicContact CD2-CE1 4.07Å; L669-L718 HydrophobicContact CD2-CD1 3.75Å; L669-L718 HydrophobicContact CD2-CD2 4.13Å; L669-E829 HydrophobicContact CD1-CG 3.56Å
670	P	98	Very high	97.3	Very high	29 Å²	29	47 Å²	47	19%	0.188	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-65.1	158	177.8	28.3	-33.6	0	0	0	111.5	M681 L718 H721	P670-M681 HydrophobicContact CG-SD 4.16Å; P670-L718 VanDerWaalsContact CD-CD2 3.4Å; P670-L718 HydrophobicContact CG-CD2 3.53Å; P670-H721 PolarHBondContact O-NE2 2.99Å
671	K	98	Very high	97.4	Very high	174 Å²	174	47.6 Å²	47.6	76%	0.757	25%	0.25	S	S	*	.	P	Polyproline II helix	trans	-73.4	140.6	175.5	-64.8	-177.2	-178.7	178.5	0	110.3
672	V	98.1	Very high	97.4	Very high	16 Å²	16	50.7 Å²	50.7	10%	0.097	26%	0.264	C	S	.	.			trans	-137.4	155.5	173.8	-61.8	0	0	0	0	110.5	Q676 M681 H721 Q821 R823 T826	V672-Q676 HydrophobicContact CB-CB 4.33Å; V672-Q676 HydrophobicContact CB-CG 4.39Å; V672-Q676 HydrophobicContact CG1-CG 4.27Å; V672-M681 HydrophobicContact CG1-CE 4.16Å; V672-M681 HydrophobicContact CG1-SD 4.23Å; V672-H721 VanDerWaalsContact CG1-CD2 3.49Å; V672-H721 WeakPolarHBondContact CG1-CD2 3.26Å; V672-Q821 PolarHBondContact O-OE1 3.08Å; V672-R823 WeakPolarHBondContact O-CD 3.47Å; V672-R823 PolarHBondContact O-NE 2.84Å; V672-T826 HydrophobicContact CG2-CG2 3.85Å
673	E	97.7	Very high	97.4	Very high	146 Å²	146	52.1 Å²	52.1	68%	0.682	27%	0.269	S	S	*	.			trans	-85.1	176.1	179.3	-60.9	-168.9	173.4	0	0	112.5	H675 P723	E673-H675 PolarHBondContact O-N 3.04Å; E673-P723 VanDerWaalsContact O-CG 3.28Å; E673-P723 WeakPolarHBondContact O-CG 3.46Å
674	N	97.9	Very high	97.3	Very high	12 Å²	12	54.6 Å²	54.6	6%	0.064	30%	0.295	C	S	.	.	S	Bend	trans	-59.1	-25.7	173.9	177.7	62.6	0	0	0	113	L726 Y731	N674-L726 PolarHBondContact ND2-O 2.79Å; N674-L726 WeakPolarHBondContact OD1-CB 3.49Å; N674-L726 WeakPolarHBondContact OD1-CG 3.29Å; N674-L726 PolarHBondContact OD1-N 3.11Å; N674-L726 VanDerWaalsContact OD1-N 3.13Å; N674-Y731 HydrophobicContact CB-CD2 3.64Å; N674-Y731 HydrophobicContact CB-CE2 3.52Å; N674-Y731 HydrophobicContact CB-CG 4.28Å
675	H	97.8	Very high	97.2	Very high	93 Å²	93	54 Å²	54	43%	0.431	30%	0.301	S	S	.	.			trans	-116.9	110.3	170.6	-176.4	32.7	0	0	0	109.9	E673 R725	E673-H675 PolarHBondContact O-N 3.04Å; H675-R725 HydrophobicContact CB-CG 4.41Å
676	Q	97.3	Very high	97.1	Very high	35 Å²	35	58.6 Å²	58.6	16%	0.164	33%	0.333	C	S	.	.			trans	-124.5	105.4	172.5	173.5	50	-87.1	0	0	108.2	V672 N678 M681 H721 Q722	V672-Q676 HydrophobicContact CB-CB 4.33Å; V672-Q676 HydrophobicContact CB-CG 4.39Å; V672-Q676 HydrophobicContact CG1-CG 4.27Å; Q676-N678 VanDerWaalsContact OE1-CB 3.26Å; Q676-N678 PolarHBondContact OE1-ND2 3.02Å; Q676-M681 VanDerWaalsContact CD-CE 3.46Å; Q676-M681 HydrophobicContact CG-CE 3.74Å; Q676-M681 VanDerWaalsContact NE2-CE 3.3Å; Q676-H721 WeakPolarHBondContact CG-O 3.36Å; Q676-Q722 HydrophobicContact CB-CG 4.45Å; Q676-Q722 HydrophobicContact CG-CG 4.01Å; Q676-Q722 WeakPolarHBondContact O-CG 3.45Å
677	P	96.4	Very high	97.2	Very high	82 Å²	82	60.4 Å²	60.4	53%	0.532	35%	0.345	S	S	.	.			trans	-81.6	-15.5	-178.6	31.6	-35.7	0	0	0	114.1	D679 Q722	P677-D679 PolarHBondContact O-N 3.32Å; P677-Q722 PolarHBondContact O-NE2 2.65Å; P677-Q722 VanDerWaalsContact O-NE2 3.12Å
678	N	96.9	Very high	97.2	Very high	88 Å²	88	65.5 Å²	65.5	47%	0.471	36%	0.363	S	S	.	.			trans	-83.5	115.9	-171.8	-56.3	-25.8	0	0	0	111.2	Q676 V680 M681 Q722	Q676-N678 VanDerWaalsContact OE1-CB 3.26Å; Q676-N678 PolarHBondContact OE1-ND2 3.02Å; N678-V680 VanDerWaalsContact C-N 3.27Å; N678-V680 PolarHBondContact O-N 3.19Å; N678-M681 HydrophobicContact CB-CE 4.45Å; N678-Q722 WeakPolarHBondContact O-CG 3.4Å; N678-Q722 PolarHBondContact O-NE2 3.23Å
679	D	95.1	Very high	97.1	Very high	66 Å²	66	66.2 Å²	66.2	35%	0.353	37%	0.368	S	S	.	.	S	Bend	trans	-69.3	-25.6	175.1	-78.9	-11.9	0	0	0	112.6	P677 L719 D720 Q722 K849	P677-D679 PolarHBondContact O-N 3.32Å; D679-L719 CarbonylContact O-C 3.36Å; D679-L719 WeakPolarHBondContact O-CA 3.25Å; D679-D720 PolarHBondContact O-N 3.4Å; D679-Q722 PolarHBondContact OD1-NE2 2.98Å; D679-Q722 PolarHBondContact OD1-OE1 3.13Å; D679-K849 VanDerWaalsContact CG-NZ 3.32Å; D679-K849 IonicContact OD1-NZ 3.59Å; D679-K849 PolarHBondContact OD1-NZ 3.09Å; D679-K849 IonicContact OD2-NZ 3.66Å; D679-K849 PolarHBondContact OD2-NZ 3.32Å
680	V	97.9	Very high	97	Very high	55 Å²	55	69.7 Å²	69.7	33%	0.333	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.7	-177.9	-173.3	0	0	0	0	109	N678 K717 L719	N678-V680 VanDerWaalsContact C-N 3.27Å; N678-V680 PolarHBondContact O-N 3.19Å; V680-K717 HydrophobicContact CG1-CB 3.97Å; V680-K717 HydrophobicContact CG1-CG 4.21Å; V680-L719 HydrophobicContact CB-CD2 4.36Å; V680-L719 HydrophobicContact CG1-CD2 4.09Å; V680-L719 HydrophobicContact CG2-CD2 3.76Å
681	M	97.4	Very high	96.9	Very high	30 Å²	30	68.8 Å²	68.8	15%	0.148	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	172.2	173.8	64.5	179.4	62	0	0	111.4	P670 V672 Q676 N678 L718 H721	P670-M681 HydrophobicContact CG-SD 4.16Å; V672-M681 HydrophobicContact CG1-CE 4.16Å; V672-M681 HydrophobicContact CG1-SD 4.23Å; Q676-M681 VanDerWaalsContact CD-CE 3.46Å; Q676-M681 HydrophobicContact CG-CE 3.74Å; Q676-M681 VanDerWaalsContact NE2-CE 3.3Å; N678-M681 HydrophobicContact CB-CE 4.45Å; M681-L718 HydrophobicContact CG-CB 3.93Å; M681-L718 HydrophobicContact CG-CD2 3.83Å; M681-L718 HydrophobicContact CG-CG 3.88Å; M681-L718 PolarHBondContact N-O 2.99Å; M681-L718 WeakPolarHBondContact O-CA 3.39Å; M681-L718 WeakPolarHBondContact O-CB 3.29Å; M681-L718 PolarHBondContact O-N 3.35Å; M681-L718 HydrophobicContact SD-CD2 3.91Å; M681-L718 HydrophobicContact SD-CG 4.46Å; M681-H721 HydrophobicContact CE-CB 4.39Å; M681-H721 HydrophobicContact SD-CB 4.11Å
682	E	97.5	Very high	96.8	Very high	114 Å²	114	60.5 Å²	60.5	53%	0.533	34%	0.34	S	S	.	.			trans	-83.8	151.3	171.8	-56.2	-53.6	135	0	0	111.1	K717	E682-K717 WeakPolarHBondContact OE1-CD 3.49Å; E682-K717 IonicContact OE1-NZ 3.7Å; E682-K717 PolarHBondContact OE1-NZ 3.05Å; E682-K717 IonicContact OE2-NZ 3.56Å; E682-K717 PolarHBondContact OE2-NZ 3.25Å; E682-K717 VanDerWaalsContact OE2-NZ 3.08Å
683	Y	97.8	Very high	96.8	Very high	31 Å²	31	66 Å²	66	12%	0.122	36%	0.359	C	S	.	.			trans	-64.7	143.4	166.7	-69.6	-84.5	0	0	0	110.7	L669 G685 R696 G716 K717 L718 D838	L669-Y683 HydrophobicContact CD2-CD1 4.37Å; L669-Y683 HydrophobicContact CD2-CE1 4.07Å; Y683-G685 PolarHBondContact O-N 3.2Å; Y683-R696 HydrophobicContact CE1-CG 4.35Å; Y683-G716 WeakPolarHBondContact CD2-O 3.27Å; Y683-G716 WeakPolarHBondContact CE2-O 3.18Å; Y683-K717 VanDerWaalsContact CE2-C 3.43Å; Y683-K717 VanDerWaalsContact CE2-O 3.3Å; Y683-K717 WeakPolarHBondContact CE2-O 3.4Å; Y683-K717 PolarHBondContact OH-O 2.98Å; Y683-K717 VanDerWaalsContact OH-O 3.12Å; Y683-L718 HydrophobicContact CD1-CB 4.13Å; Y683-L718 HydrophobicContact CD1-CD1 4.42Å; Y683-L718 HydrophobicContact CD1-CD2 4.3Å; Y683-L718 HydrophobicContact CD2-CB 4.17Å; Y683-L718 HydrophobicContact CE1-CB 3.91Å; Y683-L718 HydrophobicContact CE1-CD1 3.72Å; Y683-L718 HydrophobicContact CE1-CD2 4.39Å; Y683-L718 HydrophobicContact CE1-CG 4.22Å; Y683-L718 HydrophobicContact CE2-CB 3.95Å; Y683-L718 HydrophobicContact CG-CB 4.23Å; Y683-D838 VanDerWaalsContact OH-CB 3.26Å; Y683-D838 WeakPolarHBondContact OH-CB 3.39Å; Y683-D838 VanDerWaalsContact OH-CG 3.3Å; Y683-D838 PolarHBondContact OH-OD2 2.94Å
684	G	94.7	Very high	96.6	Very high	66 Å²	66	61 Å²	61	68%	0.68	34%	0.335	S	S	*	.	S	Bend	trans	-71.9	-13.7	173.6	0	0	0	0	0	114.3
685	G	94.6	Very high	96.5	Very high	38 Å²	38	60.5 Å²	60.5	39%	0.392	33%	0.332	S	S	.	.	S	Bend	trans	179.4	-173.4	179.8	0	0	0	0	0	113.9	Y683 R696	Y683-G685 PolarHBondContact O-N 3.2Å; G685-R696 PolarHBondContact O-NH1 3.34Å; G685-R696 PolarHBondContact O-NH2 2.79Å
686	S	96.7	Very high	96.5	Very high	97 Å²	97	59.2 Å²	59.2	68%	0.678	32%	0.323	S	S	*	.			trans	-70.9	153.9	177.4	-58.6	0	0	0	0	112.3
687	P	97.5	Very high	96.3	Very high	40 Å²	40	58.8 Å²	58.8	26%	0.26	32%	0.322	S	S	.	.			trans	-61.3	141.6	174.2	26.4	-34.5	0	0	0	111.2	Q692 R693	P687-Q692 HydrophobicContact CB-CB 3.59Å; P687-R693 HydrophobicContact CB-CG 3.9Å; P687-R693 HydrophobicContact CG-CB 4.48Å; P687-R693 HydrophobicContact CG-CG 3.57Å
688	K	97.4	Very high	96.2	Very high	139 Å²	139	55.5 Å²	55.5	60%	0.604	30%	0.302	S	S	*	.			trans	-98.2	-29.8	-176.6	-58.2	173.8	-178.6	172	0	112.6	S667 D668 Q692	S667-K688 PolarHBondContact O-NZ 3.03Å; D668-K688 HydrophobicContact CB-CD 4.39Å; D668-K688 HydrophobicContact CB-CG 4.22Å; K688-Q692 VanDerWaalsContact CB-OE1 3.31Å
689	T	96.4	Very high	96.1	Very high	24 Å²	24	52 Å²	52	15%	0.147	28%	0.283	C	S	.	.	S	Bend	trans	-116.8	168.9	-175.3	71.4	0	0	0	0	112.8	D664 Q692 R693	D664-T689 PolarHBondContact O-OG1 3.13Å; T689-Q692 VanDerWaalsContact N-OE1 3.08Å; T689-Q692 PolarHBondContact O-N 3.48Å; T689-Q692 VanDerWaalsContact OG1-CG 3.23Å; T689-Q692 WeakPolarHBondContact OG1-CG 3.39Å; T689-Q692 PolarHBondContact OG1-N 2.81Å; T689-Q692 VanDerWaalsContact OG1-N 3.15Å; T689-R693 PolarHBondContact O-N 3.36Å; T689-R693 VanDerWaalsContact O-N 3.13Å; T689-R693 PolarHBondContact O-NH1 3.06Å
690	E	95	Very high	95.9	Very high	88 Å²	88	54.2 Å²	54.2	41%	0.411	29%	0.289	S	S	.	.	H	α-helix	trans	-62.7	-43.4	174	-175	-179.9	160.4	0	0	111.5	K657 Q692 R693 Y694	K657-E690 IonicContact NZ-OE1 2.66Å; K657-E690 PolarHBondContact NZ-OE1 3.02Å; E690-Q692 VanDerWaalsContact C-N 3.33Å; E690-Q692 PolarHBondContact O-N 2.92Å; E690-R693 WeakPolarHBondContact O-CB 3.41Å; E690-R693 PolarHBondContact O-N 3.22Å; E690-Y694 PolarHBondContact O-N 2.93Å
691	F	95.8	Very high	95.6	Very high	10 Å²	10	54.9 Å²	54.9	4%	0.044	29%	0.291	C	S	.	.	H	α-helix	trans	-59.3	-44.1	176.1	178.1	-89.3	0	0	0	111.8	L603 L660 A665 R693 Y694 I695 R832	L603-F691 HydrophobicContact CD2-CE2 3.9Å; L603-F691 HydrophobicContact CD2-CZ 4.27Å; L660-F691 HydrophobicContact CD1-CB 3.95Å; L660-F691 HydrophobicContact CD1-CD2 3.44Å; L660-F691 VanDerWaalsContact CD1-CD2 3.44Å; L660-F691 HydrophobicContact CD1-CE2 4.24Å; L660-F691 HydrophobicContact CD1-CG 3.9Å; A665-F691 HydrophobicContact CB-CD1 4.19Å; A665-F691 HydrophobicContact CB-CE1 3.93Å; F691-R693 VanDerWaalsContact C-N 3.3Å; F691-R693 PolarHBondContact O-N 2.9Å; F691-Y694 WeakPolarHBondContact O-CB 3.41Å; F691-Y694 PolarHBondContact O-N 3.37Å; F691-I695 HydrophobicContact CE1-CB 4.12Å; F691-I695 HydrophobicContact CE1-CG1 4.28Å; F691-I695 HydrophobicContact CE1-CG2 4.22Å; F691-I695 HydrophobicContact CZ-CB 4.33Å; F691-I695 HydrophobicContact CZ-CD1 4.1Å; F691-I695 HydrophobicContact CZ-CG1 4.2Å; F691-I695 PolarHBondContact O-N 3.11Å; F691-R832 HydrophobicContact CE1-CB 4.29Å; F691-R832 WeakPolarHBondContact CZ-O 3.42Å
692	Q	97.4	Very high	95.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-67	-31.5	179.3	-69.9	159.4	10.5	0	0	112.6	G663 D664 S667 D668 P687 K688 T689 E690 R696	G663-Q692 PolarHBondContact O-NE2 3.23Å; D664-Q692 WeakPolarHBondContact O-CG 3.24Å; D664-Q692 PolarHBondContact O-NE2 3.34Å; S667-Q692 PolarHBondContact OG-NE2 3.25Å; D668-Q692 WeakPolarHBondContact OD1-CG 3.3Å; D668-Q692 PolarHBondContact OD1-NE2 3.44Å; P687-Q692 HydrophobicContact CB-CB 3.59Å; K688-Q692 VanDerWaalsContact CB-OE1 3.31Å; T689-Q692 VanDerWaalsContact N-OE1 3.08Å; T689-Q692 PolarHBondContact O-N 3.48Å; T689-Q692 VanDerWaalsContact OG1-CG 3.23Å; T689-Q692 WeakPolarHBondContact OG1-CG 3.39Å; T689-Q692 PolarHBondContact OG1-N 2.81Å; T689-Q692 VanDerWaalsContact OG1-N 3.15Å; E690-Q692 VanDerWaalsContact C-N 3.33Å; E690-Q692 PolarHBondContact O-N 2.92Å; Q692-R696 WeakPolarHBondContact O-CB 3.3Å; Q692-R696 WeakPolarHBondContact O-CD 3.35Å; Q692-R696 VanDerWaalsContact O-CG 3.32Å; Q692-R696 WeakPolarHBondContact O-CG 3.4Å; Q692-R696 PolarHBondContact O-N 3.15Å
693	R	96.9	Very high	95.2	Very high	131 Å²	131	50.7 Å²	50.7	49%	0.494	27%	0.272	S	S	.	.	H	α-helix	trans	-66.5	-45.4	171.1	-75.8	-175.7	-68.2	-86.5	4.6	111.2	P687 T689 E690 F691 L697	P687-R693 HydrophobicContact CB-CG 3.9Å; P687-R693 HydrophobicContact CG-CB 4.48Å; P687-R693 HydrophobicContact CG-CG 3.57Å; T689-R693 PolarHBondContact O-N 3.36Å; T689-R693 VanDerWaalsContact O-N 3.13Å; T689-R693 PolarHBondContact O-NH1 3.06Å; E690-R693 WeakPolarHBondContact O-CB 3.41Å; E690-R693 PolarHBondContact O-N 3.22Å; F691-R693 VanDerWaalsContact C-N 3.3Å; F691-R693 PolarHBondContact O-N 2.9Å; R693-L697 PolarHBondContact O-N 3.16Å
694	Y	95.2	Very high	95	Very high	43 Å²	43	49.7 Å²	49.7	17%	0.169	27%	0.269	C	S	.	.	H	α-helix	trans	-61	-52.8	177.4	170.2	-106.5	0	0	0	111.7	E690 F691 R696 L697 M702	E690-Y694 PolarHBondContact O-N 2.93Å; F691-Y694 WeakPolarHBondContact O-CB 3.41Å; F691-Y694 PolarHBondContact O-N 3.37Å; Y694-R696 PolarHBondContact O-N 3.41Å; Y694-R696 VanDerWaalsContact O-N 3.15Å; Y694-L697 HydrophobicContact CD2-CD1 3.96Å; Y694-L697 VanDerWaalsContact O-CB 3.28Å; Y694-L697 WeakPolarHBondContact O-CB 3.19Å; Y694-L697 WeakPolarHBondContact O-CG 3.42Å; Y694-L697 PolarHBondContact O-N 2.84Å; Y694-M702 HydrophobicContact CD1-CE 4.26Å; Y694-M702 HydrophobicContact CD2-CE 3.79Å; Y694-M702 HydrophobicContact CD2-SD 4.5Å; Y694-M702 HydrophobicContact CE1-CE 3.95Å; Y694-M702 HydrophobicContact CE2-CE 3.42Å; Y694-M702 VanDerWaalsContact CE2-CE 3.42Å; Y694-M702 HydrophobicContact CE2-SD 3.7Å; Y694-M702 HydrophobicContact CG-CE 4.19Å; Y694-M702 WeakPolarHBondContact O-CE 3.48Å
695	I	95.9	Very high	94.9	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.6	-23	-173.4	-150.5	64.1	0	0	0	113.2	F691 R832 F836 D838	F691-I695 HydrophobicContact CE1-CB 4.12Å; F691-I695 HydrophobicContact CE1-CG1 4.28Å; F691-I695 HydrophobicContact CE1-CG2 4.22Å; F691-I695 HydrophobicContact CZ-CB 4.33Å; F691-I695 HydrophobicContact CZ-CD1 4.1Å; F691-I695 HydrophobicContact CZ-CG1 4.2Å; F691-I695 PolarHBondContact O-N 3.11Å; I695-R832 HydrophobicContact CG1-CG 4.08Å; I695-R832 HydrophobicContact CG2-CG 4.41Å; I695-F836 VanDerWaalsContact CD1-C 3.5Å; I695-F836 WeakPolarHBondContact CD1-O 3.4Å; I695-F836 VanDerWaalsContact CG1-O 3.23Å; I695-F836 WeakPolarHBondContact CG1-O 3.35Å; I695-D838 WeakPolarHBondContact O-CB 3.34Å; I695-D838 PolarHBondContact O-N 2.97Å
696	R	96.7	Very high	94.8	Very high	67 Å²	67	51.2 Å²	51.2	25%	0.253	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	3.3	177	-71.7	175.4	65.9	168.8	-0.8	114.3	D668 Y683 G685 Q692 Y694 D838	D668-R696 IonicContact OD2-NH1 3.7Å; D668-R696 PolarHBondContact OD2-NH1 3.02Å; Y683-R696 HydrophobicContact CE1-CG 4.35Å; G685-R696 PolarHBondContact O-NH1 3.34Å; G685-R696 PolarHBondContact O-NH2 2.79Å; Q692-R696 WeakPolarHBondContact O-CB 3.3Å; Q692-R696 WeakPolarHBondContact O-CD 3.35Å; Q692-R696 VanDerWaalsContact O-CG 3.32Å; Q692-R696 WeakPolarHBondContact O-CG 3.4Å; Q692-R696 PolarHBondContact O-N 3.15Å; Y694-R696 PolarHBondContact O-N 3.41Å; Y694-R696 VanDerWaalsContact O-N 3.15Å; R696-D838 HydrophobicContact CG-CB 4.42Å; R696-D838 WeakPolarHBondContact CG-OD2 3.44Å
697	L	94.2	Very high	94.7	Very high	26 Å²	26	49 Å²	49	14%	0.136	23%	0.225	C	C	.	.			trans	-58.6	146.3	174.5	-73.3	177.9	0	0	0	111	R693 Y694 D701 M702 Y839 V893	R693-L697 PolarHBondContact O-N 3.16Å; Y694-L697 HydrophobicContact CD2-CD1 3.96Å; Y694-L697 VanDerWaalsContact O-CB 3.28Å; Y694-L697 WeakPolarHBondContact O-CB 3.19Å; Y694-L697 WeakPolarHBondContact O-CG 3.42Å; Y694-L697 PolarHBondContact O-N 2.84Å; L697-D701 HydrophobicContact CB-CB 3.98Å; L697-D701 HydrophobicContact CD1-CB 4.26Å; L697-D701 HydrophobicContact CD2-CB 3.91Å; L697-D701 HydrophobicContact CG-CB 4.26Å; L697-M702 HydrophobicContact CB-CE 4.01Å; L697-M702 HydrophobicContact CB-CG 4.02Å; L697-M702 HydrophobicContact CD1-CE 4.19Å; L697-Y839 WeakPolarHBondContact O-CD1 3.26Å; L697-V893 HydrophobicContact CD1-CG1 4.27Å
698	G	93.4	Very high	94.3	Very high	12 Å²	12	49 Å²	49	12%	0.124	23%	0.231	C	C	.	.			trans	-69.5	169.7	172.3	0	0	0	0	0	111.9	K700 D701 M702	G698-K700 VanDerWaalsContact C-N 3.32Å; G698-K700 PolarHBondContact O-N 2.55Å; G698-D701 PolarHBondContact O-N 3.35Å; G698-M702 PolarHBondContact O-N 3.07Å; G698-M702 VanDerWaalsContact O-N 3.14Å
699	R	94.2	Very high	93.5	Very high	14 Å²	14	50.5 Å²	50.5	5%	0.053	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-44.6	178.8	-71.4	-177.5	-173.5	-92.4	3.1	112	N391 D701 M702 L703 D704 F707 Y839	N391-R699 PolarHBondContact O-NH1 3.3Å; N391-R699 PolarHBondContact OD1-NH2 2.75Å; N391-R699 VanDerWaalsContact OD1-NH2 3.09Å; R699-D701 PolarHBondContact O-N 3.41Å; R699-M702 CarbonylContact O-C 3.58Å; R699-M702 PolarHBondContact O-N 3.28Å; R699-M702 VanDerWaalsContact O-N 3.16Å; R699-L703 PolarHBondContact O-N 2.87Å; R699-L703 VanDerWaalsContact O-N 3.16Å; R699-D704 HydrophobicContact CB-CB 3.95Å; R699-D704 HydrophobicContact CG-CB 4.29Å; R699-D704 IonicContact CZ-OD2 2.92Å; R699-D704 IonicContact NH1-OD2 2.66Å; R699-D704 PolarHBondContact NH1-OD2 3.19Å; R699-D704 WeakPolarHBondContact O-CB 3.26Å; R699-D704 PolarHBondContact O-N 3.28Å; R699-F707 VanDerWaalsContact CZ-CE2 3.45Å; R699-Y839 HydrophobicContact CB-CE1 4.48Å; R699-Y839 HydrophobicContact CG-CD1 3.94Å; R699-Y839 HydrophobicContact CG-CD2 3.8Å; R699-Y839 HydrophobicContact CG-CE1 3.87Å; R699-Y839 HydrophobicContact CG-CE2 3.77Å; R699-Y839 HydrophobicContact CG-CG 3.92Å; R699-Y839 VanDerWaalsContact CZ-CD2 3.44Å
700	K	91.9	Very high	92.7	Very high	113 Å²	113	56.7 Å²	56.7	49%	0.491	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-45.8	179	-65.6	-170.1	177.7	-169.8	0	112.8	G698 M702 L703 E709	G698-K700 VanDerWaalsContact C-N 3.32Å; G698-K700 PolarHBondContact O-N 2.55Å; K700-M702 PolarHBondContact O-N 2.86Å; K700-L703 PolarHBondContact O-N 2.85Å; K700-E709 WeakPolarHBondContact CE-O 3.32Å; K700-E709 PolarHBondContact NZ-O 3.33Å
701	D	91.9	Very high	91.9	Very high	70 Å²	70	55.6 Å²	55.6	37%	0.374	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-28.3	179.3	-65	-41.5	0	0	0	112.6	L697 G698 R699 L703 V893	L697-D701 HydrophobicContact CB-CB 3.98Å; L697-D701 HydrophobicContact CD1-CB 4.26Å; L697-D701 HydrophobicContact CD2-CB 3.91Å; L697-D701 HydrophobicContact CG-CB 4.26Å; G698-D701 PolarHBondContact O-N 3.35Å; R699-D701 PolarHBondContact O-N 3.41Å; D701-L703 VanDerWaalsContact C-N 3.26Å; D701-V893 VanDerWaalsContact O-CG1 3.3Å; D701-V893 WeakPolarHBondContact O-CG1 3.38Å
702	M	92	Very high	91.4	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.01	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-7.7	172.7	-78.2	-74.7	-173.9	0	0	113.3	L363 Y694 L697 G698 R699 K700 P837 Y839	L363-M702 HydrophobicContact CD2-CB 4.39Å; L363-M702 WeakPolarHBondContact CD2-O 3.12Å; Y694-M702 HydrophobicContact CD1-CE 4.26Å; Y694-M702 HydrophobicContact CD2-CE 3.79Å; Y694-M702 HydrophobicContact CD2-SD 4.5Å; Y694-M702 HydrophobicContact CE1-CE 3.95Å; Y694-M702 HydrophobicContact CE2-CE 3.42Å; Y694-M702 VanDerWaalsContact CE2-CE 3.42Å; Y694-M702 HydrophobicContact CE2-SD 3.7Å; Y694-M702 HydrophobicContact CG-CE 4.19Å; Y694-M702 WeakPolarHBondContact O-CE 3.48Å; L697-M702 HydrophobicContact CB-CE 4.01Å; L697-M702 HydrophobicContact CB-CG 4.02Å; L697-M702 HydrophobicContact CD1-CE 4.19Å; G698-M702 PolarHBondContact O-N 3.07Å; G698-M702 VanDerWaalsContact O-N 3.14Å; R699-M702 CarbonylContact O-C 3.58Å; R699-M702 PolarHBondContact O-N 3.28Å; R699-M702 VanDerWaalsContact O-N 3.16Å; K700-M702 PolarHBondContact O-N 2.86Å; M702-P837 HydrophobicContact CE-CG 4.44Å; M702-Y839 HydrophobicContact CB-CE1 4.26Å; M702-Y839 HydrophobicContact CG-CE1 3.96Å
703	L	92.9	Very high	91.2	Very high	53 Å²	53	57.7 Å²	57.7	28%	0.277	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	34.7	-167.6	-53	173.6	0	0	0	112.7	A366 L367 R699 K700 D701 W705	A366-L703 HydrophobicContact CB-CB 3.9Å; A366-L703 HydrophobicContact CB-CD1 4.32Å; L367-L703 HydrophobicContact CD2-CD1 3.61Å; L367-L703 HydrophobicContact CG-CD1 4.04Å; R699-L703 PolarHBondContact O-N 2.87Å; R699-L703 VanDerWaalsContact O-N 3.16Å; K700-L703 PolarHBondContact O-N 2.85Å; D701-L703 VanDerWaalsContact C-N 3.26Å; L703-W705 HydrophobicContact CD2-CZ2 4.02Å; L703-W705 PolarHBondContact O-N 3.21Å
704	D	93.8	Very high	91	Very high	10 Å²	10	53.1 Å²	53.1	5%	0.053	28%	0.276	C	S	.	.			trans	-85.8	102.8	172.3	-177.8	4.5	0	0	0	110.3	L363 R699 S706 Y839	L363-D704 HydrophobicContact CD2-CB 3.64Å; R699-D704 HydrophobicContact CB-CB 3.95Å; R699-D704 HydrophobicContact CG-CB 4.29Å; R699-D704 IonicContact CZ-OD2 2.92Å; R699-D704 IonicContact NH1-OD2 2.66Å; R699-D704 PolarHBondContact NH1-OD2 3.19Å; R699-D704 WeakPolarHBondContact O-CB 3.26Å; R699-D704 PolarHBondContact O-N 3.28Å; D704-S706 VanDerWaalsContact C-N 3.35Å; D704-S706 WeakPolarHBondContact OD1-CB 3.46Å; D704-S706 PolarHBondContact OD1-N 3.08Å; D704-S706 VanDerWaalsContact OD1-N 3.07Å; D704-S706 PolarHBondContact OD1-OG 3.22Å; D704-Y839 WeakPolarHBondContact OD2-CE2 3.44Å; D704-Y839 PolarHBondContact OD2-OH 2.82Å
705	W	92.7	Very high	90.6	Very high	114 Å²	114	56.9 Å²	56.9	43%	0.432	30%	0.295	S	S	.	.			trans	-93.4	15.6	-178.4	-56.5	114.5	0	0	0	114.1	L703 F707 G708	L703-W705 HydrophobicContact CD2-CZ2 4.02Å; L703-W705 PolarHBondContact O-N 3.21Å; W705-F707 PolarHBondContact O-N 3.45Å; W705-F707 VanDerWaalsContact O-N 3.11Å; W705-G708 PolarHBondContact O-N 2.83Å
706	S	93	Very high	90.4	Very high	23 Å²	23	59.4 Å²	59.4	16%	0.161	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.8	-175	-59.8	0	0	0	0	114.4	N391 H392 P393 D704	N391-S706 VanDerWaalsContact O-CB 3.27Å; N391-S706 WeakPolarHBondContact O-CB 3.45Å; H392-S706 PolarHBondContact CE1-OG 3.39Å; H392-S706 PolarHBondContact ND1-OG 3.25Å; P393-S706 WeakPolarHBondContact CG-O 3.44Å; D704-S706 VanDerWaalsContact C-N 3.35Å; D704-S706 WeakPolarHBondContact OD1-CB 3.46Å; D704-S706 PolarHBondContact OD1-N 3.08Å; D704-S706 VanDerWaalsContact OD1-N 3.07Å; D704-S706 PolarHBondContact OD1-OG 3.22Å
707	F	93.6	Very high	90.4	Very high	51 Å²	51	59.6 Å²	59.6	22%	0.224	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	14.3	176.7	-70.6	-95.7	0	0	0	112.6	Y390 N391 P393 R699 W705 P713	Y390-F707 VanDerWaalsContact O-CZ 3.27Å; Y390-F707 WeakPolarHBondContact O-CZ 3.5Å; N391-F707 WeakPolarHBondContact O-CE2 3.11Å; P393-F707 HydrophobicContact CG-CD1 3.98Å; P393-F707 HydrophobicContact CG-CE1 3.81Å; P393-F707 HydrophobicContact CG-CE2 4.44Å; P393-F707 HydrophobicContact CG-CG 4.38Å; P393-F707 HydrophobicContact CG-CZ 4.06Å; R699-F707 VanDerWaalsContact CZ-CE2 3.45Å; W705-F707 PolarHBondContact O-N 3.45Å; W705-F707 VanDerWaalsContact O-N 3.11Å; F707-P713 HydrophobicContact CE1-CG 4.18Å; F707-P713 HydrophobicContact CZ-CG 3.94Å
708	G	89.8	Confident	90.6	Very high	39 Å²	39	58.3 Å²	58.3	40%	0.402	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	-139	-173.4	0	0	0	0	0	112.1	W705 E710	W705-G708 PolarHBondContact O-N 2.83Å; G708-E710 VanDerWaalsContact C-N 3.32Å
709	E	81.6	Confident	90.8	Very high	170 Å²	170	57.8 Å²	57.8	79%	0.794	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-12.6	179.9	-63.3	-173	173.4	0	0	113.6	K700	K700-E709 WeakPolarHBondContact CE-O 3.32Å; K700-E709 PolarHBondContact NZ-O 3.33Å
710	E	79.4	Confident	91	Very high	155 Å²	155	57.1 Å²	57.1	72%	0.724	31%	0.309	S	S	*	.	S	Bend	trans	-75.1	151.3	-179	-63.5	-172.7	172.5	0	0	111.6	G708 G712	G708-E710 VanDerWaalsContact C-N 3.32Å; E710-G712 PolarHBondContact O-N 3Å
711	A	77.4	Confident	91.4	Very high	64 Å²	64	51.8 Å²	51.8	53%	0.529	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-69.1	126	168.1	0	0	0	0	0	108.5
712	G	86.5	Confident	91.7	Very high	12 Å²	12	48.7 Å²	48.7	12%	0.124	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-66.8	171	173.2	0	0	0	0	0	112.2	E710	E710-G712 PolarHBondContact O-N 3Å
713	P	93.2	Very high	92	Very high	43 Å²	43	48.8 Å²	48.8	28%	0.279	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	165.9	179.6	31.2	-36.9	0	0	0	112.2	Y390 F707 E715	Y390-P713 HydrophobicContact CE1-CG 3.76Å; Y390-P713 HydrophobicContact CE2-CG 4.44Å; Y390-P713 VanDerWaalsContact OH-CB 3.29Å; Y390-P713 WeakPolarHBondContact OH-CB 3.38Å; Y390-P713 VanDerWaalsContact OH-CG 3.28Å; Y390-P713 WeakPolarHBondContact OH-CG 3.46Å; F707-P713 HydrophobicContact CE1-CG 4.18Å; F707-P713 HydrophobicContact CZ-CG 3.94Å; P713-E715 PolarHBondContact O-N 3.44Å
714	D	90.8	Very high	92.3	Very high	34 Å²	34	47 Å²	47	18%	0.182	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	22.1	170.4	-55.2	-54	0	0	0	115.7	Y390 G716 K717 L719 R841	Y390-D714 PolarHBondContact OH-OD2 2.9Å; D714-G716 PolarHBondContact O-N 3.39Å; D714-K717 HydrophobicContact CB-CB 4.38Å; D714-K717 WeakPolarHBondContact O-CB 3.47Å; D714-K717 PolarHBondContact O-N 3.31Å; D714-K717 VanDerWaalsContact O-N 3.08Å; D714-L719 HydrophobicContact CB-CD1 3.99Å; D714-L719 HydrophobicContact CB-CD2 3.95Å; D714-L719 HydrophobicContact CB-CG 4.39Å; D714-R841 IonicContact OD1-NH1 2.92Å; D714-R841 PolarHBondContact OD1-NH1 3.4Å; D714-R841 WeakPolarHBondContact OD2-CD 3.45Å; D714-R841 IonicContact OD2-CZ 2.76Å; D714-R841 IonicContact OD2-NH1 2.86Å; D714-R841 PolarHBondContact OD2-NH1 3.18Å
715	E	87.5	Confident	92.5	Very high	122 Å²	122	54.4 Å²	54.4	57%	0.57	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	128.4	178.3	-169.7	168.3	-148.3	0	0	111.6	P713 K717	P713-E715 PolarHBondContact O-N 3.44Å; E715-K717 PolarHBondContact O-N 3.39Å
716	G	92.1	Very high	92.7	Very high	54 Å²	54	49.4 Å²	49.4	56%	0.557	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	4.3	-178.9	0	0	0	0	0	115.6	Y683 D714	Y683-G716 WeakPolarHBondContact CD2-O 3.27Å; Y683-G716 WeakPolarHBondContact CE2-O 3.18Å; D714-G716 PolarHBondContact O-N 3.39Å
717	K	96.8	Very high	92.9	Very high	70 Å²	70	52.2 Å²	52.2	30%	0.304	28%	0.283	S	S	.	.			trans	-87.9	153.3	177	-57.9	-58.5	177.1	-171	0	112.5	V680 E682 Y683 D714 E715 L719	V680-K717 HydrophobicContact CG1-CB 3.97Å; V680-K717 HydrophobicContact CG1-CG 4.21Å; E682-K717 WeakPolarHBondContact OE1-CD 3.49Å; E682-K717 IonicContact OE1-NZ 3.7Å; E682-K717 PolarHBondContact OE1-NZ 3.05Å; E682-K717 IonicContact OE2-NZ 3.56Å; E682-K717 PolarHBondContact OE2-NZ 3.25Å; E682-K717 VanDerWaalsContact OE2-NZ 3.08Å; Y683-K717 VanDerWaalsContact CE2-C 3.43Å; Y683-K717 VanDerWaalsContact CE2-O 3.3Å; Y683-K717 WeakPolarHBondContact CE2-O 3.4Å; Y683-K717 PolarHBondContact OH-O 2.98Å; Y683-K717 VanDerWaalsContact OH-O 3.12Å; D714-K717 HydrophobicContact CB-CB 4.38Å; D714-K717 WeakPolarHBondContact O-CB 3.47Å; D714-K717 PolarHBondContact O-N 3.31Å; D714-K717 VanDerWaalsContact O-N 3.08Å; E715-K717 PolarHBondContact O-N 3.39Å; K717-L719 HydrophobicContact CB-CD2 4.32Å
718	L	98.4	Very high	93.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	108.6	171	174.8	58	0	0	0	108.8	L669 P670 M681 Y683 H721 R828	L669-L718 HydrophobicContact CD2-CD1 3.75Å; L669-L718 HydrophobicContact CD2-CD2 4.13Å; P670-L718 VanDerWaalsContact CD-CD2 3.4Å; P670-L718 HydrophobicContact CG-CD2 3.53Å; M681-L718 HydrophobicContact CG-CB 3.93Å; M681-L718 HydrophobicContact CG-CD2 3.83Å; M681-L718 HydrophobicContact CG-CG 3.88Å; M681-L718 PolarHBondContact N-O 2.99Å; M681-L718 WeakPolarHBondContact O-CA 3.39Å; M681-L718 WeakPolarHBondContact O-CB 3.29Å; M681-L718 PolarHBondContact O-N 3.35Å; M681-L718 HydrophobicContact SD-CD2 3.91Å; M681-L718 HydrophobicContact SD-CG 4.46Å; Y683-L718 HydrophobicContact CD1-CB 4.13Å; Y683-L718 HydrophobicContact CD1-CD1 4.42Å; Y683-L718 HydrophobicContact CD1-CD2 4.3Å; Y683-L718 HydrophobicContact CD2-CB 4.17Å; Y683-L718 HydrophobicContact CE1-CB 3.91Å; Y683-L718 HydrophobicContact CE1-CD1 3.72Å; Y683-L718 HydrophobicContact CE1-CD2 4.39Å; Y683-L718 HydrophobicContact CE1-CG 4.22Å; Y683-L718 HydrophobicContact CE2-CB 3.95Å; Y683-L718 HydrophobicContact CG-CB 4.23Å; L718-H721 HydrophobicContact CD1-CB 4.06Å; L718-H721 HydrophobicContact CD2-CB 3.87Å; L718-H721 HydrophobicContact CG-CB 3.81Å; L718-R828 HydrophobicContact CD1-CG 3.73Å
719	L	98.3	Very high	93.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	150.2	-176.5	-58.7	178.4	0	0	0	111	D679 V680 D714 K717 H721 R828 R841	D679-L719 CarbonylContact O-C 3.36Å; D679-L719 WeakPolarHBondContact O-CA 3.25Å; V680-L719 HydrophobicContact CB-CD2 4.36Å; V680-L719 HydrophobicContact CG1-CD2 4.09Å; V680-L719 HydrophobicContact CG2-CD2 3.76Å; D714-L719 HydrophobicContact CB-CD1 3.99Å; D714-L719 HydrophobicContact CB-CD2 3.95Å; D714-L719 HydrophobicContact CB-CG 4.39Å; K717-L719 HydrophobicContact CB-CD2 4.32Å; L719-H721 PolarHBondContact O-N 3.32Å; L719-R828 WeakPolarHBondContact O-CB 3.21Å; L719-R828 WeakPolarHBondContact O-CG 3.45Å; L719-R828 PolarHBondContact O-NE 3.02Å; L719-R841 HydrophobicContact CD1-CB 3.83Å; L719-R841 HydrophobicContact CD1-CG 4.1Å
720	D	98.4	Very high	94.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.254	C	S	.	.			trans	51.6	29	168	-50.8	-58.1	0	0	0	115.2	D679 Q722 I827 R828 L842 K849	D679-D720 PolarHBondContact O-N 3.4Å; D720-Q722 PolarHBondContact O-N 3.09Å; D720-I827 HydrophobicContact CB-CB 4.24Å; D720-I827 HydrophobicContact CB-CG2 3.94Å; D720-I827 WeakPolarHBondContact O-CB 3.26Å; D720-R828 WeakPolarHBondContact O-CB 3.41Å; D720-R828 PolarHBondContact O-N 3.11Å; D720-R828 IonicContact OD2-CZ 2.69Å; D720-R828 IonicContact OD2-NH2 3.47Å; D720-R828 PolarHBondContact OD2-NH2 3.17Å; D720-L842 PolarHBondContact OD2-N 3.34Å; D720-L842 VanDerWaalsContact OD2-N 3.1Å; D720-K849 WeakPolarHBondContact OD1-CE 3.39Å; D720-K849 IonicContact OD1-NZ 3.4Å; D720-K849 PolarHBondContact OD1-NZ 2.77Å
721	H	98.7	Very high	95.1	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	23%	0.231	C	C	.	.			trans	-80.3	57	177.7	-166.1	47.3	0	0	0	111.4	P670 V672 Q676 M681 L718 L719 T826 R828 E829	P670-H721 PolarHBondContact O-NE2 2.99Å; V672-H721 VanDerWaalsContact CG1-CD2 3.49Å; V672-H721 WeakPolarHBondContact CG1-CD2 3.26Å; Q676-H721 WeakPolarHBondContact CG-O 3.36Å; M681-H721 HydrophobicContact CE-CB 4.39Å; M681-H721 HydrophobicContact SD-CB 4.11Å; L718-H721 HydrophobicContact CD1-CB 4.06Å; L718-H721 HydrophobicContact CD2-CB 3.87Å; L718-H721 HydrophobicContact CG-CB 3.81Å; L719-H721 PolarHBondContact O-N 3.32Å; H721-T826 PolarHBondContact CE1-OG1 2.92Å; H721-T826 WeakPolarHBondContact ND1-CG2 3.24Å; H721-T826 PolarHBondContact ND1-OG1 3.01Å; H721-R828 HydrophobicContact CB-CB 4.28Å; H721-E829 IonicContact CE1-OE1 3.65Å
722	Q	98.6	Very high	96.1	Very high	5 Å²	5	41.5 Å²	41.5	2%	0.023	22%	0.215	C	C	.	.			trans	-123.7	129.7	-174.3	-56.8	166.2	-53.8	0	0	109.5	Q676 P677 N678 D679 D720 T826 I827 I846	Q676-Q722 HydrophobicContact CB-CG 4.45Å; Q676-Q722 HydrophobicContact CG-CG 4.01Å; Q676-Q722 WeakPolarHBondContact O-CG 3.45Å; P677-Q722 PolarHBondContact O-NE2 2.65Å; P677-Q722 VanDerWaalsContact O-NE2 3.12Å; N678-Q722 WeakPolarHBondContact O-CG 3.4Å; N678-Q722 PolarHBondContact O-NE2 3.23Å; D679-Q722 PolarHBondContact OD1-NE2 2.98Å; D679-Q722 PolarHBondContact OD1-OE1 3.13Å; D720-Q722 PolarHBondContact O-N 3.09Å; Q722-T826 CarbonylContact O-C 3.55Å; Q722-T826 VanDerWaalsContact O-CA 3.29Å; Q722-T826 WeakPolarHBondContact O-CA 3.38Å; Q722-T826 WeakPolarHBondContact O-CB 3.46Å; Q722-I827 HydrophobicContact CB-CD1 4.48Å; Q722-I827 PolarHBondContact O-N 3.48Å; Q722-I846 HydrophobicContact CB-CD1 3.68Å; Q722-I846 HydrophobicContact CG-CD1 4.33Å; Q722-I846 VanDerWaalsContact OE1-CD1 3.28Å
723	P	98.6	Very high	96.7	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.026	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-82.8	165.3	171.3	33.9	-32.4	0	0	0	112.2	E673 R725 R823 V824 T826 Y850	E673-P723 VanDerWaalsContact O-CG 3.28Å; E673-P723 WeakPolarHBondContact O-CG 3.46Å; P723-R725 PolarHBondContact O-N 2.89Å; P723-R823 HydrophobicContact CB-CB 4.35Å; P723-R823 HydrophobicContact CG-CB 4.38Å; P723-V824 HydrophobicContact CB-CG2 3.86Å; P723-T826 HydrophobicContact CB-CG2 4.28Å; P723-Y850 WeakPolarHBondContact CA-OH 3.18Å
724	L	98.3	Very high	96.9	Very high	17 Å²	17	39.6 Å²	39.6	9%	0.089	20%	0.198	C	C	.	.			trans	-58.6	120.2	161.4	-179.5	66.8	0	0	0	108.6	L726 A809 E810 V824 I846 K847 Y850	L724-L726 HydrophobicContact CD2-CD2 4.45Å; L724-L726 PolarHBondContact O-N 3.49Å; L724-A809 HydrophobicContact CB-CB 3.95Å; L724-A809 HydrophobicContact CD2-CB 4.15Å; L724-E810 HydrophobicContact CD2-CG 3.93Å; L724-V824 HydrophobicContact CB-CG2 3.87Å; L724-I846 HydrophobicContact CD1-CG2 4.31Å; L724-K847 HydrophobicContact CD1-CG 3.93Å; L724-Y850 HydrophobicContact CB-CE2 3.88Å; L724-Y850 PolarHBondContact N-OH 3.47Å
725	R	98.2	Very high	97.2	Very high	165 Å²	165	43.6 Å²	43.6	62%	0.623	21%	0.214	S	C	*	.			trans	-66.6	98.9	174.7	-175	-177.3	-178.4	177.2	2.8	109.2	H675 P723	H675-R725 HydrophobicContact CB-CG 4.41Å; P723-R725 PolarHBondContact O-N 2.89Å
726	L	97.9	Very high	97.7	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.042	21%	0.205	C	C	.	.			trans	-62.8	141.6	174.5	-59.4	-179.7	0	0	0	109.6	N674 L724 D730 V734 P811 V824	N674-L726 PolarHBondContact ND2-O 2.79Å; N674-L726 WeakPolarHBondContact OD1-CB 3.49Å; N674-L726 WeakPolarHBondContact OD1-CG 3.29Å; N674-L726 PolarHBondContact OD1-N 3.11Å; N674-L726 VanDerWaalsContact OD1-N 3.13Å; L724-L726 HydrophobicContact CD2-CD2 4.45Å; L724-L726 PolarHBondContact O-N 3.49Å; L726-D730 HydrophobicContact CB-CB 4.07Å; L726-D730 HydrophobicContact CD1-CB 4.46Å; L726-D730 HydrophobicContact CD2-CB 4.43Å; L726-V734 HydrophobicContact CD1-CB 4.28Å; L726-V734 HydrophobicContact CD1-CG2 3.67Å; L726-P811 HydrophobicContact CD2-CG 4.08Å; L726-V824 HydrophobicContact CD1-CG1 4.26Å; L726-V824 HydrophobicContact CD2-CG1 4.04Å; L726-V824 HydrophobicContact CG-CG1 4.43Å
727	N	97.1	Very high	98	Very high	82 Å²	82	39.3 Å²	39.3	44%	0.439	18%	0.179	S	C	.	.			trans	-61.5	164.4	168.7	65.2	55.6	0	0	0	109.9	D729 D730 Y731	N727-D729 PolarHBondContact O-N 3.36Å; N727-D729 WeakPolarHBondContact OD1-CB 3.12Å; N727-D729 PolarHBondContact OD1-N 2.88Å; N727-D729 VanDerWaalsContact OD1-N 3.12Å; N727-D730 PolarHBondContact ND2-OD2 3.12Å; N727-D730 PolarHBondContact O-N 2.96Å; N727-D730 PolarHBondContact OD1-N 2.88Å; N727-Y731 WeakPolarHBondContact O-CB 3.12Å; N727-Y731 PolarHBondContact O-N 2.86Å
728	N	97.4	Very high	98	Very high	129 Å²	129	38.1 Å²	38.1	69%	0.69	18%	0.179	S	C	*	.	H	α-helix	trans	-56.6	-38.7	-175.4	-70.5	-14.1	0	0	0	112.7	E732	N728-E732 VanDerWaalsContact O-CB 3.31Å; N728-E732 WeakPolarHBondContact O-CB 3.44Å; N728-E732 PolarHBondContact O-N 2.87Å
729	D	97.9	Very high	98	Very high	15 Å²	15	42.2 Å²	42.2	8%	0.08	20%	0.204	C	C	.	.	H	α-helix	trans	-64.6	-51.8	-179.1	-56.6	-27.1	0	0	0	111.2	N727 Y731 E732 R733 L770 S772 K774	N727-D729 PolarHBondContact O-N 3.36Å; N727-D729 WeakPolarHBondContact OD1-CB 3.12Å; N727-D729 PolarHBondContact OD1-N 2.88Å; N727-D729 VanDerWaalsContact OD1-N 3.12Å; D729-Y731 VanDerWaalsContact C-N 3.33Å; D729-Y731 PolarHBondContact O-N 2.76Å; D729-E732 PolarHBondContact O-N 3.02Å; D729-R733 WeakPolarHBondContact O-CG 3.49Å; D729-R733 PolarHBondContact O-N 3.1Å; D729-L770 HydrophobicContact CB-CD1 3.74Å; D729-S772 WeakPolarHBondContact OD1-CB 3.49Å; D729-S772 PolarHBondContact OD1-OG 3.37Å; D729-K774 VanDerWaalsContact OD2-CD 3.27Å; D729-K774 WeakPolarHBondContact OD2-CD 3.29Å; D729-K774 WeakPolarHBondContact OD2-CE 3.34Å; D729-K774 IonicContact OD2-NZ 2.66Å; D729-K774 PolarHBondContact OD2-NZ 2.83Å
730	D	97.9	Very high	98	Very high	9 Å²	9	47 Å²	47	5%	0.048	23%	0.225	C	C	.	.	H	α-helix	trans	-65.9	-37.3	179.9	-72.8	-30.6	0	0	0	111.6	L726 N727 R733 V734 F793 H812	L726-D730 HydrophobicContact CB-CB 4.07Å; L726-D730 HydrophobicContact CD1-CB 4.46Å; L726-D730 HydrophobicContact CD2-CB 4.43Å; N727-D730 PolarHBondContact ND2-OD2 3.12Å; N727-D730 PolarHBondContact O-N 2.96Å; N727-D730 PolarHBondContact OD1-N 2.88Å; D730-R733 WeakPolarHBondContact O-CB 3.14Å; D730-R733 PolarHBondContact O-N 3.26Å; D730-R733 IonicContact OD1-CZ 2.89Å; D730-R733 IonicContact OD1-NH1 3.82Å; D730-R733 PolarHBondContact OD1-NH1 3.11Å; D730-V734 VanDerWaalsContact O-CG2 3.31Å; D730-V734 WeakPolarHBondContact O-CG2 3.48Å; D730-V734 PolarHBondContact O-N 2.78Å; D730-F793 HydrophobicContact CB-CE1 4.44Å; D730-H812 IonicContact OD1-NE2 3.57Å; D730-H812 IonicContact OD2-CE1 2.76Å; D730-H812 IonicContact OD2-NE2 3.07Å; D730-H812 PolarHBondContact OD2-NE2 2.9Å
731	Y	97.9	Very high	97.9	Very high	63 Å²	63	51.3 Å²	51.3	25%	0.247	24%	0.243	C	C	.	.	H	α-helix	trans	-66	-39.6	174.9	-177.8	-131.7	0	0	0	112	N674 N727 D729 R733 V734 K735 A822	N674-Y731 HydrophobicContact CB-CD2 3.64Å; N674-Y731 HydrophobicContact CB-CE2 3.52Å; N674-Y731 HydrophobicContact CB-CG 4.28Å; N727-Y731 WeakPolarHBondContact O-CB 3.12Å; N727-Y731 PolarHBondContact O-N 2.86Å; D729-Y731 VanDerWaalsContact C-N 3.33Å; D729-Y731 PolarHBondContact O-N 2.76Å; Y731-R733 VanDerWaalsContact C-N 3.33Å; Y731-R733 PolarHBondContact O-N 2.94Å; Y731-V734 PolarHBondContact O-N 3.16Å; Y731-K735 HydrophobicContact CD1-CD 4.43Å; Y731-K735 HydrophobicContact CD2-CG 4.34Å; Y731-K735 HydrophobicContact CE1-CD 3.95Å; Y731-K735 HydrophobicContact CE2-CD 4.16Å; Y731-K735 HydrophobicContact CE2-CG 3.95Å; Y731-K735 WeakPolarHBondContact O-CG 3.48Å; Y731-K735 PolarHBondContact O-N 3.1Å; Y731-A822 HydrophobicContact CE2-CB 4.28Å; Y731-A822 VanDerWaalsContact CE2-O 3.24Å; Y731-A822 WeakPolarHBondContact CE2-O 3.44Å
732	E	97.7	Very high	97.7	Very high	39 Å²	39	53.3 Å²	53.3	18%	0.182	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-39.5	174.4	-166.9	178.1	154.8	0	0	111.8	N728 D729 Q736 L770 S771	N728-E732 VanDerWaalsContact O-CB 3.31Å; N728-E732 WeakPolarHBondContact O-CB 3.44Å; N728-E732 PolarHBondContact O-N 2.87Å; D729-E732 PolarHBondContact O-N 3.02Å; E732-Q736 WeakPolarHBondContact O-CG 3.34Å; E732-Q736 PolarHBondContact O-NE2 3.02Å; E732-L770 HydrophobicContact CB-CD2 4.06Å; E732-L770 HydrophobicContact CG-CD2 3.8Å; E732-S771 PolarHBondContact OE1-N 2.8Å; E732-S771 WeakPolarHBondContact OE2-CB 3.16Å; E732-S771 PolarHBondContact OE2-N 2.76Å; E732-S771 PolarHBondContact OE2-OG 3.4Å
733	R	98.1	Very high	97.7	Very high	15 Å²	15	53 Å²	53	6%	0.057	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-51.2	171.6	-66.4	176.2	-174.8	107	9.5	111.9	D729 D730 Y731 K735 Q736 I737 L770 P775 L776 F793	D729-R733 WeakPolarHBondContact O-CG 3.49Å; D729-R733 PolarHBondContact O-N 3.1Å; D730-R733 WeakPolarHBondContact O-CB 3.14Å; D730-R733 PolarHBondContact O-N 3.26Å; D730-R733 IonicContact OD1-CZ 2.89Å; D730-R733 IonicContact OD1-NH1 3.82Å; D730-R733 PolarHBondContact OD1-NH1 3.11Å; Y731-R733 VanDerWaalsContact C-N 3.33Å; Y731-R733 PolarHBondContact O-N 2.94Å; R733-K735 VanDerWaalsContact C-N 3.27Å; R733-K735 PolarHBondContact O-N 2.92Å; R733-Q736 WeakPolarHBondContact O-CA 3.47Å; R733-Q736 WeakPolarHBondContact O-CB 3.36Å; R733-Q736 PolarHBondContact O-N 2.88Å; R733-I737 PolarHBondContact O-N 2.85Å; R733-L770 HydrophobicContact CG-CD1 4.26Å; R733-L770 HydrophobicContact CG-CD2 4.32Å; R733-P775 PolarHBondContact NH2-O 3Å; R733-L776 VanDerWaalsContact CD-O 3.24Å; R733-L776 WeakPolarHBondContact CD-O 3.13Å; R733-L776 HydrophobicContact CG-CD1 4.21Å; R733-L776 VanDerWaalsContact CG-O 3.3Å; R733-L776 WeakPolarHBondContact CG-O 3.48Å; R733-L776 PolarHBondContact NE-O 2.87Å; R733-F793 HydrophobicContact CB-CD1 4.12Å; R733-F793 HydrophobicContact CB-CE1 3.85Å; R733-F793 HydrophobicContact CB-CZ 4.44Å; R733-F793 VanDerWaalsContact CD-CZ 3.45Å; R733-F793 HydrophobicContact CG-CE1 4.44Å
734	V	97.8	Very high	97.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-35.8	-177.7	166.9	0	0	0	0	112.4	L726 D730 Y731 Q736 I737 F793 L817 A822	L726-V734 HydrophobicContact CD1-CB 4.28Å; L726-V734 HydrophobicContact CD1-CG2 3.67Å; D730-V734 VanDerWaalsContact O-CG2 3.31Å; D730-V734 WeakPolarHBondContact O-CG2 3.48Å; D730-V734 PolarHBondContact O-N 2.78Å; Y731-V734 PolarHBondContact O-N 3.16Å; V734-Q736 PolarHBondContact O-N 2.82Å; V734-I737 PolarHBondContact O-N 2.92Å; V734-F793 HydrophobicContact CG2-CD1 4.03Å; V734-F793 HydrophobicContact CG2-CE1 4.46Å; V734-L817 HydrophobicContact CB-CD2 4.42Å; V734-L817 HydrophobicContact CG1-CD1 4.2Å; V734-L817 HydrophobicContact CG1-CD2 3.99Å; V734-L817 HydrophobicContact CG2-CD1 4.03Å; V734-L817 HydrophobicContact CG2-CD2 3.51Å; V734-L817 HydrophobicContact CG2-CG 4.43Å; V734-A822 HydrophobicContact CG1-CB 4.39Å
735	K	97.5	Very high	97.6	Very high	118 Å²	118	52.6 Å²	52.6	51%	0.513	26%	0.26	S	S	.	.	H	α-helix	trans	-63.3	-25.6	173.3	-76.4	-176.5	-65.3	-179.4	0	113.2	Y731 R733 A822	Y731-K735 HydrophobicContact CD1-CD 4.43Å; Y731-K735 HydrophobicContact CD2-CG 4.34Å; Y731-K735 HydrophobicContact CE1-CD 3.95Å; Y731-K735 HydrophobicContact CE2-CD 4.16Å; Y731-K735 HydrophobicContact CE2-CG 3.95Å; Y731-K735 WeakPolarHBondContact O-CG 3.48Å; Y731-K735 PolarHBondContact O-N 3.1Å; R733-K735 VanDerWaalsContact C-N 3.27Å; R733-K735 PolarHBondContact O-N 2.92Å; K735-A822 HydrophobicContact CG-CB 4.07Å
736	Q	97.7	Very high	97.6	Very high	81 Å²	81	46 Å²	46	38%	0.379	24%	0.235	S	C	.	.	H	α-helix	trans	-91	-11.9	179.1	-66.5	-177.5	57.6	0	0	113.3	E732 R733 V734 P738 L748	E732-Q736 WeakPolarHBondContact O-CG 3.34Å; E732-Q736 PolarHBondContact O-NE2 3.02Å; R733-Q736 WeakPolarHBondContact O-CA 3.47Å; R733-Q736 WeakPolarHBondContact O-CB 3.36Å; R733-Q736 PolarHBondContact O-N 2.88Å; V734-Q736 PolarHBondContact O-N 2.82Å; Q736-P738 WeakPolarHBondContact O-CD 3.42Å; Q736-L748 HydrophobicContact CB-CD2 3.63Å
737	I	98.2	Very high	97.5	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.021	25%	0.248	C	C	.	.	S	Bend	trans	-71.5	121.3	174.1	-57.4	-65.5	0	0	0	109.6	R733 V734 A743 N744 L748 F793 R795 L817	R733-I737 PolarHBondContact O-N 2.85Å; V734-I737 PolarHBondContact O-N 2.92Å; I737-A743 HydrophobicContact CG2-CB 3.9Å; I737-N744 WeakPolarHBondContact CD1-O 3.41Å; I737-L748 HydrophobicContact CD1-CD1 4.13Å; I737-L748 HydrophobicContact CD1-CD2 3.65Å; I737-L748 HydrophobicContact CD1-CG 3.76Å; I737-L748 HydrophobicContact CG1-CD2 4.4Å; I737-F793 HydrophobicContact CD1-CB 3.9Å; I737-F793 HydrophobicContact CG1-CB 4.21Å; I737-R795 HydrophobicContact CG2-CB 4.42Å; I737-R795 PolarHBondContact O-NH2 2.91Å; I737-L817 HydrophobicContact CB-CD1 4.17Å; I737-L817 HydrophobicContact CG1-CD1 3.97Å; I737-L817 HydrophobicContact CG2-CD1 4.14Å
738	P	98	Very high	97.5	Very high	45 Å²	45	44.7 Å²	44.7	29%	0.292	23%	0.228	S	C	.	.			trans	-56	149.9	-178.8	-27.4	36.2	0	0	0	113.7	Q736 K740 A743 D747 R795	Q736-P738 WeakPolarHBondContact O-CD 3.42Å; P738-K740 HydrophobicContact CB-CD 4.28Å; P738-K740 HydrophobicContact CB-CG 4.12Å; P738-K740 PolarHBondContact O-N 2.79Å; P738-A743 HydrophobicContact CB-CB 4.28Å; P738-A743 WeakPolarHBondContact O-CB 3.3Å; P738-D747 HydrophobicContact CG-CB 3.75Å; P738-R795 PolarHBondContact O-NE 3.15Å
739	V	98	Very high	97.4	Very high	86 Å²	86	45 Å²	45	52%	0.521	22%	0.224	S	C	.	.	S	Bend	trans	-89.8	75.3	174.8	-175.1	0	0	0	0	109.1	W797 P819	V739-W797 HydrophobicContact CG1-CZ3 4.33Å; V739-P819 WeakPolarHBondContact CG1-O 3.24Å
740	K	97.5	Very high	97.2	Very high	102 Å²	102	44.5 Å²	44.5	44%	0.443	22%	0.222	S	C	.	.	S	Bend	trans	-147.9	158.7	175.3	65.3	-179.1	-178.5	-179.9	0	109.9	P738 G742 A743 D747	P738-K740 HydrophobicContact CB-CD 4.28Å; P738-K740 HydrophobicContact CB-CG 4.12Å; P738-K740 PolarHBondContact O-N 2.79Å; K740-G742 PolarHBondContact O-N 3.35Å; K740-A743 HydrophobicContact CG-CB 3.87Å; K740-A743 WeakPolarHBondContact O-CB 3.37Å; K740-A743 PolarHBondContact O-N 3.02Å; K740-D747 VanDerWaalsContact CE-OD1 3.29Å; K740-D747 WeakPolarHBondContact CE-OD1 3.04Å; K740-D747 IonicContact NZ-OD1 3.36Å; K740-D747 PolarHBondContact NZ-OD1 3.09Å
741	K	97.5	Very high	97	Very high	90 Å²	90	44.9 Å²	44.9	39%	0.391	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	135.8	173.8	-174.2	174	-175.6	175.7	0	110.4	A743 W797 D799	K741-A743 PolarHBondContact O-N 3.06Å; K741-W797 HydrophobicContact CB-CB 4.01Å; K741-W797 HydrophobicContact CB-CD2 3.99Å; K741-W797 HydrophobicContact CB-CG 3.67Å; K741-W797 HydrophobicContact CD-CB 4.35Å; K741-W797 HydrophobicContact CD-CG 4.27Å; K741-W797 HydrophobicContact CG-CB 3.77Å; K741-W797 HydrophobicContact CG-CG 3.88Å; K741-D799 WeakPolarHBondContact CE-OD1 3.48Å; K741-D799 IonicContact NZ-OD1 2.61Å; K741-D799 PolarHBondContact NZ-OD1 3.23Å; K741-D799 IonicContact NZ-OD2 3.08Å; K741-D799 PolarHBondContact NZ-OD2 3.13Å
742	G	94.6	Very high	96.8	Very high	42 Å²	42	45.6 Å²	45.6	43%	0.433	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	2.1	177.3	0	0	0	0	0	115.6	K740 N744	K740-G742 PolarHBondContact O-N 3.35Å; G742-N744 PolarHBondContact O-N 3.38Å; G742-N744 PolarHBondContact O-ND2 3.34Å
743	A	97.9	Very high	96.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.242	C	C	.	.			trans	-61.9	136.6	178.9	0	0	0	0	0	111.7	I737 P738 K740 K741 D747 R795	I737-A743 HydrophobicContact CG2-CB 3.9Å; P738-A743 HydrophobicContact CB-CB 4.28Å; P738-A743 WeakPolarHBondContact O-CB 3.3Å; K740-A743 HydrophobicContact CG-CB 3.87Å; K740-A743 WeakPolarHBondContact O-CB 3.37Å; K740-A743 PolarHBondContact O-N 3.02Å; K741-A743 PolarHBondContact O-N 3.06Å; A743-D747 WeakPolarHBondContact CA-OD2 3.05Å; A743-R795 HydrophobicContact CB-CB 4.32Å; A743-R795 PolarHBondContact O-N 3.35Å
744	N	97.8	Very high	96.2	Very high	12 Å²	12	47.7 Å²	47.7	6%	0.064	25%	0.25	C	C	.	.			trans	-153.5	-171.8	-178.3	64.1	73	0	0	0	111.6	I737 G742 R746 D747 L790	I737-N744 WeakPolarHBondContact CD1-O 3.41Å; G742-N744 PolarHBondContact O-N 3.38Å; G742-N744 PolarHBondContact O-ND2 3.34Å; N744-R746 PolarHBondContact O-N 2.78Å; N744-R746 VanDerWaalsContact O-N 3.09Å; N744-R746 WeakPolarHBondContact OD1-CB 3.19Å; N744-R746 WeakPolarHBondContact OD1-CG 3.45Å; N744-R746 PolarHBondContact OD1-N 2.89Å; N744-D747 PolarHBondContact N-OD2 3.48Å; N744-D747 WeakPolarHBondContact O-CB 3.27Å; N744-D747 PolarHBondContact O-N 3.01Å; N744-L790 VanDerWaalsContact CB-O 3.29Å; N744-L790 WeakPolarHBondContact CB-O 3.36Å
745	F	97.6	Very high	95.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-57	-24.5	-178.6	82.1	-75	0	0	0	114.5	D747 L748 V759 V777 A781 M782 S789 P792 F793	F745-D747 PolarHBondContact O-N 2.77Å; F745-L748 HydrophobicContact CB-CD1 4.34Å; F745-L748 VanDerWaalsContact O-CB 3.24Å; F745-L748 WeakPolarHBondContact O-CB 3.38Å; F745-L748 WeakPolarHBondContact O-CG 3.45Å; F745-L748 PolarHBondContact O-N 3.34Å; F745-V759 HydrophobicContact CE2-CG1 4.36Å; F745-V759 HydrophobicContact CE2-CG2 3.99Å; F745-V759 HydrophobicContact CZ-CB 4.46Å; F745-V759 HydrophobicContact CZ-CG1 4.26Å; F745-V759 HydrophobicContact CZ-CG2 4.26Å; F745-V777 HydrophobicContact CD2-CG1 4.23Å; F745-A781 HydrophobicContact CD2-CB 3.72Å; F745-A781 HydrophobicContact CE2-CB 3.83Å; F745-A781 WeakPolarHBondContact CE2-O 3.16Å; F745-A781 HydrophobicContact CG-CB 4.14Å; F745-A781 HydrophobicContact CZ-CB 4.36Å; F745-A781 WeakPolarHBondContact CZ-O 3.39Å; F745-M782 HydrophobicContact CE2-SD 4.01Å; F745-S789 WeakPolarHBondContact CE1-O 2.96Å; F745-P792 HydrophobicContact CB-CB 4.34Å; F745-P792 WeakPolarHBondContact CB-O 3.34Å; F745-P792 HydrophobicContact CD1-CB 3.58Å; F745-P792 HydrophobicContact CD1-CG 3.98Å; F745-P792 VanDerWaalsContact CD1-O 3.32Å; F745-P792 WeakPolarHBondContact CD1-O 3.45Å; F745-P792 HydrophobicContact CE1-CB 4.04Å; F745-P792 HydrophobicContact CE1-CG 3.9Å; F745-P792 HydrophobicContact CG-CB 4.01Å; F745-P792 PolarHBondContact N-O 3.28Å; F745-F793 HydrophobicContact CB-CB 4.25Å; F745-F793 HydrophobicContact CB-CD2 4.31Å
746	R	97	Very high	95.5	Very high	27 Å²	27	52.2 Å²	52.2	10%	0.102	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-68.5	-16.6	176.8	-63.7	177.9	170.2	-157.3	-8.1	113.3	N744 L748 V751 N757 V759 G787 K788 S789	N744-R746 PolarHBondContact O-N 2.78Å; N744-R746 VanDerWaalsContact O-N 3.09Å; N744-R746 WeakPolarHBondContact OD1-CB 3.19Å; N744-R746 WeakPolarHBondContact OD1-CG 3.45Å; N744-R746 PolarHBondContact OD1-N 2.89Å; R746-L748 VanDerWaalsContact C-N 3.29Å; R746-V751 HydrophobicContact CB-CG1 4.47Å; R746-N757 PolarHBondContact NH1-OD1 2.86Å; R746-N757 PolarHBondContact NH2-O 2.81Å; R746-V759 HydrophobicContact CG-CG2 4.12Å; R746-G787 PolarHBondContact NH2-O 3.17Å; R746-K788 VanDerWaalsContact NH2-C 3.34Å; R746-K788 VanDerWaalsContact NH2-CA 3.32Å; R746-K788 PolarHBondContact NH2-O 3.04Å; R746-S789 PolarHBondContact NE-O 3.44Å
747	D	96.9	Very high	95.2	Very high	57 Å²	57	52.3 Å²	52.3	31%	0.305	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-82.3	-6.7	171.9	-64.1	-81	0	0	0	112.8	P738 K740 A743 N744 F745	P738-D747 HydrophobicContact CG-CB 3.75Å; K740-D747 VanDerWaalsContact CE-OD1 3.29Å; K740-D747 WeakPolarHBondContact CE-OD1 3.04Å; K740-D747 IonicContact NZ-OD1 3.36Å; K740-D747 PolarHBondContact NZ-OD1 3.09Å; A743-D747 WeakPolarHBondContact CA-OD2 3.05Å; N744-D747 PolarHBondContact N-OD2 3.48Å; N744-D747 WeakPolarHBondContact O-CB 3.27Å; N744-D747 PolarHBondContact O-N 3.01Å; F745-D747 PolarHBondContact O-N 2.77Å
748	L	96.7	Very high	95	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.026	30%	0.304	C	S	.	.	S	Bend	trans	-72.7	147.7	175.6	-63.3	176.6	0	0	0	110.8	Q736 I737 F745 R746 G750 L776 V777	Q736-L748 HydrophobicContact CB-CD2 3.63Å; I737-L748 HydrophobicContact CD1-CD1 4.13Å; I737-L748 HydrophobicContact CD1-CD2 3.65Å; I737-L748 HydrophobicContact CD1-CG 3.76Å; I737-L748 HydrophobicContact CG1-CD2 4.4Å; F745-L748 HydrophobicContact CB-CD1 4.34Å; F745-L748 VanDerWaalsContact O-CB 3.24Å; F745-L748 WeakPolarHBondContact O-CB 3.38Å; F745-L748 WeakPolarHBondContact O-CG 3.45Å; F745-L748 PolarHBondContact O-N 3.34Å; R746-L748 VanDerWaalsContact C-N 3.29Å; L748-G750 PolarHBondContact O-N 3.15Å; L748-L776 HydrophobicContact CB-CD2 4.23Å; L748-L776 HydrophobicContact CB-CG 4.33Å; L748-L776 HydrophobicContact CD1-CD1 4.36Å; L748-L776 HydrophobicContact CD1-CG 4.29Å; L748-L776 HydrophobicContact CD2-CD1 4.26Å; L748-V777 HydrophobicContact CB-CG2 3.79Å; L748-V777 HydrophobicContact CD1-CG2 4.16Å
749	K	95.3	Very high	94.9	Very high	136 Å²	136	52.5 Å²	52.5	59%	0.591	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	135.9	-179.5	-175.4	178.6	175.1	-176.1	0	111.4	V765 V768 L776	K749-V765 HydrophobicContact CD-CG1 4.41Å; K749-V765 HydrophobicContact CG-CG1 3.91Å; K749-V768 HydrophobicContact CB-CG2 4.14Å; K749-V768 HydrophobicContact CD-CG2 3.93Å; K749-V768 HydrophobicContact CG-CG2 3.81Å; K749-L776 HydrophobicContact CB-CD2 4.26Å
750	G	93.7	Very high	94.7	Very high	4 Å²	4	52.1 Å²	52.1	4%	0.041	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	98	7	178.9	0	0	0	0	0	114.6	L748 D762	L748-G750 PolarHBondContact O-N 3.15Å; G750-D762 PolarHBondContact O-N 2.56Å
751	V	93.9	Very high	94.6	Very high	17 Å²	17	51.5 Å²	51.5	10%	0.103	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.3	-179.6	-173.6	0	0	0	0	110.3	R746 V759 V777 M782	R746-V751 HydrophobicContact CB-CG1 4.47Å; V751-V759 HydrophobicContact CG1-CG2 3.11Å; V751-V777 HydrophobicContact CG2-CB 4.23Å; V751-V777 HydrophobicContact CG2-CG1 3.91Å; V751-V777 HydrophobicContact CG2-CG2 3.45Å; V751-V777 VanDerWaalsContact CG2-CG2 3.45Å; V751-M782 HydrophobicContact CG1-CE 4.23Å; V751-M782 HydrophobicContact CG1-SD 4.48Å; V751-M782 HydrophobicContact CG2-CE 3.98Å
752	K	93	Very high	94.4	Very high	78 Å²	78	49.1 Å²	49.1	34%	0.339	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	158.5	167.7	63.5	173	176.9	159.6	0	110.2	E760 W761 D762 P763	K752-E760 WeakPolarHBondContact CE-OE2 3.31Å; K752-E760 HydrophobicContact CG-CB 3.99Å; K752-E760 PolarHBondContact N-O 2.89Å; K752-E760 IonicContact NZ-OE2 3.81Å; K752-E760 PolarHBondContact NZ-OE2 2.95Å; K752-E760 VanDerWaalsContact NZ-OE2 3.09Å; K752-E760 PolarHBondContact O-N 2.75Å; K752-E760 VanDerWaalsContact O-O 3.13Å; K752-W761 WeakPolarHBondContact CE-O 3.44Å; K752-D762 HydrophobicContact CB-CB 4.48Å; K752-D762 HydrophobicContact CG-CB 4.47Å; K752-P763 VanDerWaalsContact CE-CD 3.49Å
753	V	93	Very high	94.3	Very high	76 Å²	76	52.1 Å²	52.1	46%	0.461	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	114.7	171.6	-177.2	0	0	0	0	107.9	N757	V753-N757 WeakPolarHBondContact CG1-OD1 3.3Å
754	G	89.9	Confident	94.1	Very high	21 Å²	21	60.6 Å²	60.6	22%	0.216	32%	0.324	C	S	.	.			trans	-81.8	-163.9	179.2	0	0	0	0	0	113.1	V758	G754-V758 PolarHBondContact N-O 3.49Å
755	A	90.4	Very high	93.8	Very high	75 Å²	75	61.7 Å²	61.7	62%	0.62	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-60.6	152.7	172.9	0	0	0	0	0	110.9	N757 V758	A755-N757 PolarHBondContact O-N 3.09Å; A755-V758 PolarHBondContact O-N 2.77Å
756	N	90.1	Very high	93.5	Very high	139 Å²	139	70.1 Å²	70.1	74%	0.743	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	60.5	24.2	179.2	-53.2	-30.4	0	0	0	115.3	V758	N756-V758 HydrophobicContact CB-CG2 4.28Å; N756-V758 PolarHBondContact O-N 3.46Å
757	N	92.4	Very high	93.2	Very high	83 Å²	83	72.1 Å²	72.1	44%	0.444	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	59.7	26.5	-179.1	-167.5	33.3	0	0	0	113.6	R746 V753 A755	R746-N757 PolarHBondContact NH1-OD1 2.86Å; R746-N757 PolarHBondContact NH2-O 2.81Å; V753-N757 WeakPolarHBondContact CG1-OD1 3.3Å; A755-N757 PolarHBondContact O-N 3.09Å
758	V	94.7	Very high	93.1	Very high	42 Å²	42	71.1 Å²	71.1	26%	0.255	37%	0.374	S	S	.	.			trans	-89.3	135.7	177.5	-179.2	0	0	0	0	109.3	G754 A755 N756 K788	G754-V758 PolarHBondContact N-O 3.49Å; A755-V758 PolarHBondContact O-N 2.77Å; N756-V758 HydrophobicContact CB-CG2 4.28Å; N756-V758 PolarHBondContact O-N 3.46Å; V758-K788 HydrophobicContact CG2-CG 4.05Å
759	V	94.8	Very high	93	Very high	10 Å²	10	77.5 Å²	77.5	6%	0.061	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	135.8	177.1	71.5	0	0	0	0	111	F745 R746 V751 M782 G787	F745-V759 HydrophobicContact CE2-CG1 4.36Å; F745-V759 HydrophobicContact CE2-CG2 3.99Å; F745-V759 HydrophobicContact CZ-CB 4.46Å; F745-V759 HydrophobicContact CZ-CG1 4.26Å; F745-V759 HydrophobicContact CZ-CG2 4.26Å; R746-V759 HydrophobicContact CG-CG2 4.12Å; V751-V759 HydrophobicContact CG1-CG2 3.11Å; V759-M782 HydrophobicContact CB-SD 4.3Å; V759-M782 HydrophobicContact CG1-CB 4.24Å; V759-M782 WeakPolarHBondContact CG1-O 3.45Å; V759-M782 HydrophobicContact CG1-SD 3.74Å; V759-M782 HydrophobicContact CG2-CE 4.25Å; V759-M782 HydrophobicContact CG2-SD 3.57Å; V759-M782 VanDerWaalsContact CG2-SD 3.57Å; V759-G787 WeakPolarHBondContact CB-O 3.43Å; V759-G787 VanDerWaalsContact CG1-O 3.26Å; V759-G787 WeakPolarHBondContact CG1-O 3.38Å; V759-G787 PolarHBondContact N-O 2.97Å
760	E	94.4	Very high	93	Very high	78 Å²	78	71.4 Å²	71.4	36%	0.364	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	156.9	178.9	-66.7	176.8	-172.1	0	0	110.2	K752	K752-E760 WeakPolarHBondContact CE-OE2 3.31Å; K752-E760 HydrophobicContact CG-CB 3.99Å; K752-E760 PolarHBondContact N-O 2.89Å; K752-E760 IonicContact NZ-OE2 3.81Å; K752-E760 PolarHBondContact NZ-OE2 2.95Å; K752-E760 VanDerWaalsContact NZ-OE2 3.09Å; K752-E760 PolarHBondContact O-N 2.75Å; K752-E760 VanDerWaalsContact O-O 3.13Å
761	W	95	Very high	93.1	Very high	89 Å²	89	76.2 Å²	76.2	34%	0.337	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	135.4	166.6	-63.1	105.1	0	0	0	110	K752 P763 R767 V777 M782	K752-W761 WeakPolarHBondContact CE-O 3.44Å; W761-P763 WeakPolarHBondContact O-CD 3.24Å; W761-R767 HydrophobicContact CZ3-CG 4.3Å; W761-V777 HydrophobicContact CH2-CB 3.67Å; W761-V777 HydrophobicContact CH2-CG1 3.75Å; W761-V777 HydrophobicContact CZ3-CB 3.76Å; W761-V777 HydrophobicContact CZ3-CG1 4.06Å; W761-V777 HydrophobicContact CZ3-CG2 4.31Å; W761-M782 HydrophobicContact CD2-CE 3.32Å; W761-M782 HydrophobicContact CE3-CE 3.48Å; W761-M782 VanDerWaalsContact CE3-CE 3.48Å; W761-M782 HydrophobicContact CG-CE 3.91Å; W761-M782 HydrophobicContact CH2-CE 3.74Å; W761-M782 HydrophobicContact CH2-CG 4.2Å; W761-M782 HydrophobicContact CZ2-CE 3.6Å; W761-M782 HydrophobicContact CZ2-CG 3.64Å; W761-M782 HydrophobicContact CZ2-SD 4.42Å; W761-M782 HydrophobicContact CZ3-CE 3.69Å
762	D	94.2	Very high	93.2	Very high	41 Å²	41	78.3 Å²	78.3	22%	0.219	42%	0.421	C	S	.	.			trans	-72.5	114.9	173.4	-175.5	-7	0	0	0	109.9	G750 K752 E764 V765	G750-D762 PolarHBondContact O-N 2.56Å; K752-D762 HydrophobicContact CB-CB 4.48Å; K752-D762 HydrophobicContact CG-CB 4.47Å; D762-E764 PolarHBondContact O-N 2.72Å; D762-E764 PolarHBondContact OD1-N 3.1Å; D762-V765 HydrophobicContact CB-CB 4.23Å; D762-V765 HydrophobicContact CB-CG2 4.36Å; D762-V765 PolarHBondContact O-N 3.15Å; D762-V765 VanDerWaalsContact O-O 3.06Å; D762-V765 WeakPolarHBondContact OD2-CG2 3.45Å
763	P	91.7	Very high	93.3	Very high	105 Å²	105	77.1 Å²	77.1	68%	0.682	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-18.3	-178.7	29.7	-37.2	0	0	0	113.3	K752 W761 V765	K752-P763 VanDerWaalsContact CE-CD 3.49Å; W761-P763 WeakPolarHBondContact O-CD 3.24Å; P763-V765 VanDerWaalsContact C-N 3.32Å
764	E	93.3	Very high	93.4	Very high	177 Å²	177	78.9 Å²	78.9	83%	0.827	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-11.2	178.4	-59.7	-172	174.2	0	0	112.7	D762	D762-E764 PolarHBondContact O-N 2.72Å; D762-E764 PolarHBondContact OD1-N 3.1Å
765	V	92.6	Very high	93.7	Very high	36 Å²	36	79.1 Å²	79.1	22%	0.218	43%	0.43	C	S	.	.	S	Bend	trans	-122.4	111.8	-175.2	-179.1	0	0	0	0	109.4	K749 D762 P763 R767 V768	K749-V765 HydrophobicContact CD-CG1 4.41Å; K749-V765 HydrophobicContact CG-CG1 3.91Å; D762-V765 HydrophobicContact CB-CB 4.23Å; D762-V765 HydrophobicContact CB-CG2 4.36Å; D762-V765 PolarHBondContact O-N 3.15Å; D762-V765 VanDerWaalsContact O-O 3.06Å; D762-V765 WeakPolarHBondContact OD2-CG2 3.45Å; P763-V765 VanDerWaalsContact C-N 3.32Å; V765-R767 PolarHBondContact O-N 3.12Å; V765-V768 HydrophobicContact CG1-CG2 4.15Å
766	E	90.8	Very high	94	Very high	177 Å²	177	75.6 Å²	75.6	83%	0.827	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-56	143	170.9	-169.4	177.2	-174	0	0	110.1	V768	E766-V768 PolarHBondContact O-N 3.01Å; E766-V768 VanDerWaalsContact O-N 3.12Å
767	R	91.5	Very high	94.4	Very high	69 Å²	69	69 Å²	69	26%	0.26	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-52.1	121.6	-176	-168.3	153.2	179.5	165.7	-6.8	110.5	W761 V765 Y769 D779	W761-R767 HydrophobicContact CZ3-CG 4.3Å; V765-R767 PolarHBondContact O-N 3.12Å; R767-Y769 HydrophobicContact CB-CE2 4.14Å; R767-Y769 HydrophobicContact CG-CE2 4.34Å; R767-Y769 WeakPolarHBondContact O-CD2 3.27Å; R767-Y769 WeakPolarHBondContact O-CE2 3.49Å; R767-D779 IonicContact CZ-OD1 3.93Å; R767-D779 VanDerWaalsContact CZ-OD1 3.28Å; R767-D779 IonicContact NH1-OD1 3.81Å; R767-D779 PolarHBondContact NH1-OD1 2.96Å; R767-D779 IonicContact NH2-OD1 3.09Å; R767-D779 PolarHBondContact NH2-OD1 2.56Å; R767-D779 IonicContact NH2-OD2 3.23Å; R767-D779 PolarHBondContact NH2-OD2 2.91Å
768	V	93.6	Very high	94.5	Very high	36 Å²	36	65.5 Å²	65.5	22%	0.218	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-81.9	133.2	-175.6	-173.7	0	0	0	0	109.6	K749 V765 E766 L776	K749-V768 HydrophobicContact CB-CG2 4.14Å; K749-V768 HydrophobicContact CD-CG2 3.93Å; K749-V768 HydrophobicContact CG-CG2 3.81Å; V765-V768 HydrophobicContact CG1-CG2 4.15Å; E766-V768 PolarHBondContact O-N 3.01Å; E766-V768 VanDerWaalsContact O-N 3.12Å; V768-L776 HydrophobicContact CB-CB 3.98Å; V768-L776 HydrophobicContact CB-CD2 3.95Å; V768-L776 HydrophobicContact CG1-CB 4.04Å; V768-L776 HydrophobicContact CG1-CD2 3.77Å; V768-L776 WeakPolarHBondContact O-CB 3.37Å; V768-L776 PolarHBondContact O-N 2.76Å
769	Y	94.9	Very high	94.5	Very high	138 Å²	138	67.8 Å²	67.8	54%	0.541	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-112	146.1	177.6	-66.2	-91.2	0	0	0	110.7	R767 G773 K774	R767-Y769 HydrophobicContact CB-CE2 4.14Å; R767-Y769 HydrophobicContact CG-CE2 4.34Å; R767-Y769 WeakPolarHBondContact O-CD2 3.27Å; R767-Y769 WeakPolarHBondContact O-CE2 3.49Å; Y769-G773 VanDerWaalsContact CD1-O 3.31Å; Y769-G773 WeakPolarHBondContact CD1-O 3.41Å; Y769-K774 WeakPolarHBondContact CA-O 3.32Å
770	L	96.1	Very high	94.5	Very high	9 Å²	9	71.1 Å²	71.1	5%	0.047	37%	0.37	C	S	.	.			trans	-75	169.5	173.6	-59.6	174.2	0	0	0	110.7	D729 E732 R733 S772 G773 K774 L776	D729-L770 HydrophobicContact CB-CD1 3.74Å; E732-L770 HydrophobicContact CB-CD2 4.06Å; E732-L770 HydrophobicContact CG-CD2 3.8Å; R733-L770 HydrophobicContact CG-CD1 4.26Å; R733-L770 HydrophobicContact CG-CD2 4.32Å; L770-S772 PolarHBondContact O-N 2.9Å; L770-S772 VanDerWaalsContact O-N 3.08Å; L770-G773 PolarHBondContact O-N 3.16Å; L770-K774 WeakPolarHBondContact CB-O 3.4Å; L770-K774 PolarHBondContact N-O 2.99Å; L770-L776 HydrophobicContact CD2-CB 4.23Å; L770-L776 HydrophobicContact CD2-CD1 3.61Å
771	S	94.9	Very high	94.6	Very high	105 Å²	105	67.4 Å²	67.4	73%	0.734	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-26.2	173.8	61.7	0	0	0	0	114.3	E732 G773	E732-S771 PolarHBondContact OE1-N 2.8Å; E732-S771 WeakPolarHBondContact OE2-CB 3.16Å; E732-S771 PolarHBondContact OE2-N 2.76Å; E732-S771 PolarHBondContact OE2-OG 3.4Å; S771-G773 VanDerWaalsContact C-N 3.34Å
772	S	95.4	Very high	94.6	Very high	61 Å²	61	64.3 Å²	64.3	43%	0.427	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-6.2	176.6	62.7	0	0	0	0	115.1	D729 L770 K774	D729-S772 WeakPolarHBondContact OD1-CB 3.49Å; D729-S772 PolarHBondContact OD1-OG 3.37Å; L770-S772 PolarHBondContact O-N 2.9Å; L770-S772 VanDerWaalsContact O-N 3.08Å; S772-K774 VanDerWaalsContact C-N 3.3Å; S772-K774 PolarHBondContact OG-N 2.84Å
773	G	95.5	Very high	94.5	Very high	52 Å²	52	65.4 Å²	65.4	54%	0.536	35%	0.353	S	S	.	.	S	Bend	trans	81.3	2.2	-172.8	0	0	0	0	0	114.6	Y769 L770 S771	Y769-G773 VanDerWaalsContact CD1-O 3.31Å; Y769-G773 WeakPolarHBondContact CD1-O 3.41Å; L770-G773 PolarHBondContact O-N 3.16Å; S771-G773 VanDerWaalsContact C-N 3.34Å
774	K	95.9	Very high	94.5	Very high	113 Å²	113	61.8 Å²	61.8	49%	0.491	33%	0.327	S	S	.	.	S	Bend	trans	-83	155.6	170	-69.7	-164	-162.6	150	0	111.5	D729 Y769 L770 S772	D729-K774 VanDerWaalsContact OD2-CD 3.27Å; D729-K774 WeakPolarHBondContact OD2-CD 3.29Å; D729-K774 WeakPolarHBondContact OD2-CE 3.34Å; D729-K774 IonicContact OD2-NZ 2.66Å; D729-K774 PolarHBondContact OD2-NZ 2.83Å; Y769-K774 WeakPolarHBondContact CA-O 3.32Å; L770-K774 WeakPolarHBondContact CB-O 3.4Å; L770-K774 PolarHBondContact N-O 2.99Å; S772-K774 VanDerWaalsContact C-N 3.3Å; S772-K774 PolarHBondContact OG-N 2.84Å
775	P	96.1	Very high	94.4	Very high	27 Å²	27	53.9 Å²	53.9	18%	0.175	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-66.1	141.1	179.4	27.9	-36	0	0	0	111.9	R733 V777	R733-P775 PolarHBondContact NH2-O 3Å; P775-V777 VanDerWaalsContact C-N 3.33Å; P775-V777 WeakPolarHBondContact CB-O 3.16Å
776	L	97	Very high	94.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.294	C	S	.	.	S	Bend	trans	-57.3	-49.6	173.7	172.5	61.2	0	0	0	110.2	R733 L748 K749 V768 L770 P778	R733-L776 VanDerWaalsContact CD-O 3.24Å; R733-L776 WeakPolarHBondContact CD-O 3.13Å; R733-L776 HydrophobicContact CG-CD1 4.21Å; R733-L776 VanDerWaalsContact CG-O 3.3Å; R733-L776 WeakPolarHBondContact CG-O 3.48Å; R733-L776 PolarHBondContact NE-O 2.87Å; L748-L776 HydrophobicContact CB-CD2 4.23Å; L748-L776 HydrophobicContact CB-CG 4.33Å; L748-L776 HydrophobicContact CD1-CD1 4.36Å; L748-L776 HydrophobicContact CD1-CG 4.29Å; L748-L776 HydrophobicContact CD2-CD1 4.26Å; K749-L776 HydrophobicContact CB-CD2 4.26Å; V768-L776 HydrophobicContact CB-CB 3.98Å; V768-L776 HydrophobicContact CB-CD2 3.95Å; V768-L776 HydrophobicContact CG1-CB 4.04Å; V768-L776 HydrophobicContact CG1-CD2 3.77Å; V768-L776 WeakPolarHBondContact O-CB 3.37Å; V768-L776 PolarHBondContact O-N 2.76Å; L770-L776 HydrophobicContact CD2-CB 4.23Å; L770-L776 HydrophobicContact CD2-CD1 3.61Å; L776-P778 WeakPolarHBondContact O-CD 3.38Å
777	V	96.9	Very high	94.5	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.012	26%	0.256	C	S	.	.	S	Bend	trans	-96	115.1	176.9	179.5	0	0	0	0	108.2	F745 L748 V751 W761 P775 M782	F745-V777 HydrophobicContact CD2-CG1 4.23Å; L748-V777 HydrophobicContact CB-CG2 3.79Å; L748-V777 HydrophobicContact CD1-CG2 4.16Å; V751-V777 HydrophobicContact CG2-CB 4.23Å; V751-V777 HydrophobicContact CG2-CG1 3.91Å; V751-V777 HydrophobicContact CG2-CG2 3.45Å; V751-V777 VanDerWaalsContact CG2-CG2 3.45Å; W761-V777 HydrophobicContact CH2-CB 3.67Å; W761-V777 HydrophobicContact CH2-CG1 3.75Å; W761-V777 HydrophobicContact CZ3-CB 3.76Å; W761-V777 HydrophobicContact CZ3-CG1 4.06Å; W761-V777 HydrophobicContact CZ3-CG2 4.31Å; P775-V777 VanDerWaalsContact C-N 3.33Å; P775-V777 WeakPolarHBondContact CB-O 3.16Å; V777-M782 HydrophobicContact CG1-CE 4.12Å; V777-M782 HydrophobicContact CG1-CG 4.18Å; V777-M782 HydrophobicContact CG1-SD 3.86Å
778	P	95.3	Very high	94.7	Very high	8 Å²	8	48.6 Å²	48.6	5%	0.052	26%	0.263	C	S	.	.			trans	-68.1	142.7	178	-22.2	36.2	0	0	0	112.2	L776 Y780 A781 F793	L776-P778 WeakPolarHBondContact O-CD 3.38Å; P778-Y780 VanDerWaalsContact C-N 3.31Å; P778-Y780 HydrophobicContact CB-CD1 3.57Å; P778-Y780 HydrophobicContact CB-CE1 3.19Å; P778-Y780 HydrophobicContact CB-CE2 4.4Å; P778-Y780 HydrophobicContact CB-CG 4.34Å; P778-Y780 HydrophobicContact CG-CE1 3.87Å; P778-Y780 PolarHBondContact O-N 3.04Å; P778-A781 WeakPolarHBondContact O-CB 3.27Å; P778-A781 PolarHBondContact O-N 3.41Å; P778-A781 VanDerWaalsContact O-N 3.09Å; P778-F793 HydrophobicContact CG-CE2 3.9Å; P778-F793 HydrophobicContact CG-CZ 4.29Å
779	D	94.6	Very high	94.8	Very high	90 Å²	90	47.3 Å²	47.3	48%	0.481	26%	0.256	S	S	.	.	H	α-helix	trans	-58.9	-40.6	-179.4	-71.8	-60.6	0	0	0	113	R767 A781 M782 S783	R767-D779 IonicContact CZ-OD1 3.93Å; R767-D779 VanDerWaalsContact CZ-OD1 3.28Å; R767-D779 IonicContact NH1-OD1 3.81Å; R767-D779 PolarHBondContact NH1-OD1 2.96Å; R767-D779 IonicContact NH2-OD1 3.09Å; R767-D779 PolarHBondContact NH2-OD1 2.56Å; R767-D779 IonicContact NH2-OD2 3.23Å; R767-D779 PolarHBondContact NH2-OD2 2.91Å; D779-A781 PolarHBondContact O-N 3.16Å; D779-A781 VanDerWaalsContact O-N 3.13Å; D779-M782 WeakPolarHBondContact O-CB 3.28Å; D779-M782 PolarHBondContact O-N 3.33Å; D779-S783 PolarHBondContact O-N 3.18Å
780	Y	95.6	Very high	94.8	Very high	81 Å²	81	44.6 Å²	44.6	32%	0.318	25%	0.251	S	S	.	.	H	α-helix	trans	-61	-25.4	179.8	70.8	-102.5	0	0	0	112.7	P778 M782 S783 F784 F793 H812	P778-Y780 VanDerWaalsContact C-N 3.31Å; P778-Y780 HydrophobicContact CB-CD1 3.57Å; P778-Y780 HydrophobicContact CB-CE1 3.19Å; P778-Y780 HydrophobicContact CB-CE2 4.4Å; P778-Y780 HydrophobicContact CB-CG 4.34Å; P778-Y780 HydrophobicContact CG-CE1 3.87Å; P778-Y780 PolarHBondContact O-N 3.04Å; Y780-M782 VanDerWaalsContact C-N 3.31Å; Y780-S783 CarbonylContact O-C 3.34Å; Y780-F784 WeakPolarHBondContact O-CB 3.24Å; Y780-F784 PolarHBondContact O-N 3.41Å; Y780-F793 VanDerWaalsContact OH-CE2 3.24Å; Y780-F793 WeakPolarHBondContact OH-CE2 3.27Å; Y780-H812 HydrophobicContact CE2-CB 3.86Å; Y780-H812 WeakPolarHBondContact CE2-O 3.48Å; Y780-H812 WeakPolarHBondContact OH-CB 3.47Å; Y780-H812 PolarHBondContact OH-CD2 3.02Å
781	A	95.2	Very high	94.8	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-73.6	-28.6	178.4	0	0	0	0	0	111.3	F745 P778 D779 P792	F745-A781 HydrophobicContact CD2-CB 3.72Å; F745-A781 HydrophobicContact CE2-CB 3.83Å; F745-A781 WeakPolarHBondContact CE2-O 3.16Å; F745-A781 HydrophobicContact CG-CB 4.14Å; F745-A781 HydrophobicContact CZ-CB 4.36Å; F745-A781 WeakPolarHBondContact CZ-O 3.39Å; P778-A781 WeakPolarHBondContact O-CB 3.27Å; P778-A781 PolarHBondContact O-N 3.41Å; P778-A781 VanDerWaalsContact O-N 3.09Å; D779-A781 PolarHBondContact O-N 3.16Å; D779-A781 VanDerWaalsContact O-N 3.13Å; A781-P792 HydrophobicContact CB-CB 3.91Å; A781-P792 HydrophobicContact CB-CG 4.22Å
782	M	94.7	Very high	94.9	Very high	24 Å²	24	42 Å²	42	12%	0.118	23%	0.226	C	C	.	.	H	α-helix	trans	-73.9	-29.1	176.7	-59.9	-60.4	-125.3	0	0	112.4	F745 V751 V759 W761 V777 D779 Y780 G787	F745-M782 HydrophobicContact CE2-SD 4.01Å; V751-M782 HydrophobicContact CG1-CE 4.23Å; V751-M782 HydrophobicContact CG1-SD 4.48Å; V751-M782 HydrophobicContact CG2-CE 3.98Å; V759-M782 HydrophobicContact CB-SD 4.3Å; V759-M782 HydrophobicContact CG1-CB 4.24Å; V759-M782 WeakPolarHBondContact CG1-O 3.45Å; V759-M782 HydrophobicContact CG1-SD 3.74Å; V759-M782 HydrophobicContact CG2-CE 4.25Å; V759-M782 HydrophobicContact CG2-SD 3.57Å; V759-M782 VanDerWaalsContact CG2-SD 3.57Å; W761-M782 HydrophobicContact CD2-CE 3.32Å; W761-M782 HydrophobicContact CE3-CE 3.48Å; W761-M782 VanDerWaalsContact CE3-CE 3.48Å; W761-M782 HydrophobicContact CG-CE 3.91Å; W761-M782 HydrophobicContact CH2-CE 3.74Å; W761-M782 HydrophobicContact CH2-CG 4.2Å; W761-M782 HydrophobicContact CZ2-CE 3.6Å; W761-M782 HydrophobicContact CZ2-CG 3.64Å; W761-M782 HydrophobicContact CZ2-SD 4.42Å; W761-M782 HydrophobicContact CZ3-CE 3.69Å; V777-M782 HydrophobicContact CG1-CE 4.12Å; V777-M782 HydrophobicContact CG1-CG 4.18Å; V777-M782 HydrophobicContact CG1-SD 3.86Å; D779-M782 WeakPolarHBondContact O-CB 3.28Å; D779-M782 PolarHBondContact O-N 3.33Å; Y780-M782 VanDerWaalsContact C-N 3.31Å; M782-G787 WeakPolarHBondContact O-CA 3.37Å
783	S	93.6	Very high	95	Very high	64 Å²	64	39.1 Å²	39.1	45%	0.448	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	39.2	177.1	69.9	0	0	0	0	111.5	E92 D779 Y780	E92-S783 VanDerWaalsContact CD-C 3.47Å; D779-S783 PolarHBondContact O-N 3.18Å; Y780-S783 CarbonylContact O-C 3.34Å
784	F	91.7	Very high	95.1	Very high	29 Å²	29	36.7 Å²	36.7	13%	0.127	18%	0.18	C	C	.	.	S	Bend	trans	-107.4	124.8	170.7	-168.6	-124.2	0	0	0	109.2	D91 E92 Y780 G787 K788 S789 K791 P792 N813	D91-F784 HydrophobicContact CB-CE2 4.23Å; E92-F784 WeakPolarHBondContact OE1-CA 3.43Å; E92-F784 PolarHBondContact OE1-N 3.22Å; Y780-F784 WeakPolarHBondContact O-CB 3.24Å; Y780-F784 PolarHBondContact O-N 3.41Å; F784-G787 WeakPolarHBondContact O-CA 3.4Å; F784-G787 PolarHBondContact O-N 2.93Å; F784-K788 PolarHBondContact O-N 2.93Å; F784-S789 VanDerWaalsContact CD1-CB 3.49Å; F784-S789 VanDerWaalsContact CD1-OG 3.3Å; F784-S789 WeakPolarHBondContact CD1-OG 3.46Å; F784-S789 WeakPolarHBondContact O-CB 3.42Å; F784-S789 PolarHBondContact O-N 3.32Å; F784-K791 HydrophobicContact CE1-CB 4.26Å; F784-K791 HydrophobicContact CE1-CD 4.3Å; F784-P792 HydrophobicContact CB-CG 4.37Å; F784-P792 HydrophobicContact CD1-CG 3.76Å; F784-P792 HydrophobicContact CG-CG 4.43Å; F784-N813 VanDerWaalsContact CD2-ND2 3.29Å; F784-N813 WeakPolarHBondContact CD2-ND2 3.4Å; F784-N813 HydrophobicContact CE1-CB 3.97Å; F784-N813 HydrophobicContact CE2-CB 4.3Å; F784-N813 VanDerWaalsContact CE2-ND2 3.27Å; F784-N813 WeakPolarHBondContact CE2-ND2 3.48Å; F784-N813 HydrophobicContact CZ-CB 3.79Å
785	I	91.3	Very high	95.2	Very high	11 Å²	11	31.5 Å²	31.5	6%	0.056	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	52.2	-179.7	-41.9	-60.2	0	0	0	113.1	P90 D91 E92 L95 G787 K788	P90-I785 VanDerWaalsContact O-CD1 3.31Å; P90-I785 WeakPolarHBondContact O-CD1 3.33Å; D91-I785 VanDerWaalsContact CA-CD1 3.48Å; D91-I785 HydrophobicContact CB-CD1 4.28Å; E92-I785 PolarHBondContact OE1-N 3.3Å; L95-I785 HydrophobicContact CD1-CB 4.45Å; L95-I785 HydrophobicContact CD1-CG2 3.36Å; I785-G787 PolarHBondContact O-N 2.79Å; I785-K788 WeakPolarHBondContact O-CA 3.23Å; I785-K788 WeakPolarHBondContact O-CB 3.04Å; I785-K788 PolarHBondContact O-N 3.49Å
786	K	92.5	Very high	95.2	Very high	72 Å²	72	30.6 Å²	30.6	31%	0.313	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	37.8	-171.5	-58.2	176.9	-175.1	171.1	0	110.5	E92 L95 E99 K788	E92-K786 HydrophobicContact CG-CB 4.43Å; E92-K786 HydrophobicContact CG-CG 3.78Å; E92-K786 WeakPolarHBondContact OE1-CA 3.29Å; E92-K786 PolarHBondContact OE1-N 3.17Å; L95-K786 PolarHBondContact O-NZ 3.41Å; E99-K786 IonicContact OE2-NZ 3.94Å; E99-K786 PolarHBondContact OE2-NZ 3.1Å; K786-K788 VanDerWaalsContact C-N 3.26Å; K786-K788 PolarHBondContact O-N 3.05Å
787	G	92.3	Very high	95.3	Very high	2 Å²	2	33.7 Å²	33.7	2%	0.021	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	11.3	-173.1	0	0	0	0	0	115.8	E92 R746 V759 M782 F784 I785	E92-G787 PolarHBondContact OE1-N 3.33Å; R746-G787 PolarHBondContact NH2-O 3.17Å; V759-G787 WeakPolarHBondContact CB-O 3.43Å; V759-G787 VanDerWaalsContact CG1-O 3.26Å; V759-G787 WeakPolarHBondContact CG1-O 3.38Å; V759-G787 PolarHBondContact N-O 2.97Å; M782-G787 WeakPolarHBondContact O-CA 3.37Å; F784-G787 WeakPolarHBondContact O-CA 3.4Å; F784-G787 PolarHBondContact O-N 2.93Å; I785-G787 PolarHBondContact O-N 2.79Å
788	K	95.3	Very high	95.3	Very high	96 Å²	96	37 Å²	37	42%	0.417	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-8.9	-176.1	-57.8	177.4	-179.8	173.5	0	113.9	R746 V758 F784 I785 K786	R746-K788 VanDerWaalsContact NH2-C 3.34Å; R746-K788 VanDerWaalsContact NH2-CA 3.32Å; R746-K788 PolarHBondContact NH2-O 3.04Å; V758-K788 HydrophobicContact CG2-CG 4.05Å; F784-K788 PolarHBondContact O-N 2.93Å; I785-K788 WeakPolarHBondContact O-CA 3.23Å; I785-K788 WeakPolarHBondContact O-CB 3.04Å; I785-K788 PolarHBondContact O-N 3.49Å; K786-K788 VanDerWaalsContact C-N 3.26Å; K786-K788 PolarHBondContact O-N 3.05Å
789	S	95.1	Very high	95.4	Very high	9 Å²	9	39.8 Å²	39.8	6%	0.063	19%	0.19	C	C	.	.			trans	-64.9	145.6	-175.4	-158.9	0	0	0	0	113.1	F745 R746 F784 K791	F745-S789 WeakPolarHBondContact CE1-O 2.96Å; R746-S789 PolarHBondContact NE-O 3.44Å; F784-S789 VanDerWaalsContact CD1-CB 3.49Å; F784-S789 VanDerWaalsContact CD1-OG 3.3Å; F784-S789 WeakPolarHBondContact CD1-OG 3.46Å; F784-S789 WeakPolarHBondContact O-CB 3.42Å; F784-S789 PolarHBondContact O-N 3.32Å; S789-K791 PolarHBondContact OG-N 3.47Å
790	L	95.4	Very high	95.3	Very high	82 Å²	82	38 Å²	38	43%	0.429	18%	0.179	S	C	.	.	S	Bend	trans	-105.3	0.2	166.4	-58.5	178.2	0	0	0	112.3	N744	N744-L790 VanDerWaalsContact CB-O 3.29Å; N744-L790 WeakPolarHBondContact CB-O 3.36Å
791	K	95.8	Very high	95.3	Very high	59 Å²	59	36 Å²	36	26%	0.257	18%	0.175	S	C	.	.			trans	-73.9	-43.7	-172.2	-64.9	177.9	178.6	170.7	0	114.6	E89 F784 S789 F793 G794 Q814 V815	E89-K791 PolarHBondContact O-NZ 3.3Å; F784-K791 HydrophobicContact CE1-CB 4.26Å; F784-K791 HydrophobicContact CE1-CD 4.3Å; S789-K791 PolarHBondContact OG-N 3.47Å; K791-F793 PolarHBondContact O-N 2.94Å; K791-G794 PolarHBondContact O-N 3.11Å; K791-Q814 CarbonylContact O-C 3.51Å; K791-V815 HydrophobicContact CB-CG2 4.4Å; K791-V815 HydrophobicContact CG-CG2 4.42Å
792	P	97.4	Very high	95.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	130.9	-174.1	-26.4	35	0	0	0	113.1	F745 A781 F784 G794 H812	F745-P792 HydrophobicContact CB-CB 4.34Å; F745-P792 WeakPolarHBondContact CB-O 3.34Å; F745-P792 HydrophobicContact CD1-CB 3.58Å; F745-P792 HydrophobicContact CD1-CG 3.98Å; F745-P792 VanDerWaalsContact CD1-O 3.32Å; F745-P792 WeakPolarHBondContact CD1-O 3.45Å; F745-P792 HydrophobicContact CE1-CB 4.04Å; F745-P792 HydrophobicContact CE1-CG 3.9Å; F745-P792 HydrophobicContact CG-CB 4.01Å; F745-P792 PolarHBondContact N-O 3.28Å; A781-P792 HydrophobicContact CB-CB 3.91Å; A781-P792 HydrophobicContact CB-CG 4.22Å; F784-P792 HydrophobicContact CB-CG 4.37Å; F784-P792 HydrophobicContact CD1-CG 3.76Å; F784-P792 HydrophobicContact CG-CG 4.43Å; P792-G794 PolarHBondContact O-N 2.99Å; P792-H812 WeakPolarHBondContact CA-O 3.39Å; P792-H812 VanDerWaalsContact CB-O 3.24Å; P792-H812 WeakPolarHBondContact CB-O 3.5Å
793	F	97.9	Very high	94.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	31	-175.2	-62.5	-94.6	0	0	0	113.5	D730 R733 V734 I737 F745 P778 Y780 K791 P811 H812 L817	D730-F793 HydrophobicContact CB-CE1 4.44Å; R733-F793 HydrophobicContact CB-CD1 4.12Å; R733-F793 HydrophobicContact CB-CE1 3.85Å; R733-F793 HydrophobicContact CB-CZ 4.44Å; R733-F793 VanDerWaalsContact CD-CZ 3.45Å; R733-F793 HydrophobicContact CG-CE1 4.44Å; V734-F793 HydrophobicContact CG2-CD1 4.03Å; V734-F793 HydrophobicContact CG2-CE1 4.46Å; I737-F793 HydrophobicContact CD1-CB 3.9Å; I737-F793 HydrophobicContact CG1-CB 4.21Å; F745-F793 HydrophobicContact CB-CB 4.25Å; F745-F793 HydrophobicContact CB-CD2 4.31Å; P778-F793 HydrophobicContact CG-CE2 3.9Å; P778-F793 HydrophobicContact CG-CZ 4.29Å; Y780-F793 VanDerWaalsContact OH-CE2 3.24Å; Y780-F793 WeakPolarHBondContact OH-CE2 3.27Å; K791-F793 PolarHBondContact O-N 2.94Å; F793-P811 WeakPolarHBondContact CA-O 3.31Å; F793-P811 HydrophobicContact CD1-CB 4.04Å; F793-P811 HydrophobicContact CD1-CG 3.97Å; F793-P811 HydrophobicContact CE1-CB 4.34Å; F793-P811 HydrophobicContact CE1-CG 3.78Å; F793-P811 HydrophobicContact CZ-CG 4.48Å; F793-P811 PolarHBondContact N-O 3.47Å; F793-H812 AromaticContact CZ-CD2 3.92Å; F793-L817 WeakPolarHBondContact O-CD1 3.29Å
794	G	97.5	Very high	94.6	Very high	1 Å²	1	36 Å²	36	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	138.6	-178.5	0	0	0	0	0	112.6	K791 P792 V815 I816 L817	K791-G794 PolarHBondContact O-N 3.11Å; P792-G794 PolarHBondContact O-N 2.99Å; G794-V815 VanDerWaalsContact C-CG1 3.5Å; G794-V815 CarbonylContact O-C 3.48Å; G794-V815 WeakPolarHBondContact O-CA 3.37Å; G794-I816 PolarHBondContact O-N 3.34Å; G794-I816 VanDerWaalsContact O-N 3.1Å; G794-L817 WeakPolarHBondContact O-CG 3.2Å; G794-L817 PolarHBondContact O-N 3.1Å; G794-L817 VanDerWaalsContact O-N 3.07Å
795	R	97.9	Very high	94.8	Very high	5 Å²	5	34.8 Å²	34.8	2%	0.019	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	129	175.1	-171.1	-177.8	-64	-72.7	1.8	111.3	I737 P738 A743 L817 H818 P819 Q821	I737-R795 HydrophobicContact CG2-CB 4.42Å; I737-R795 PolarHBondContact O-NH2 2.91Å; P738-R795 PolarHBondContact O-NE 3.15Å; A743-R795 HydrophobicContact CB-CB 4.32Å; A743-R795 PolarHBondContact O-N 3.35Å; R795-L817 HydrophobicContact CB-CB 4.14Å; R795-L817 HydrophobicContact CG-CB 4.22Å; R795-H818 PolarHBondContact NH1-O 2.98Å; R795-P819 WeakPolarHBondContact CD-O 3.43Å; R795-Q821 PolarHBondContact NH1-O 2.93Å
796	L	97.1	Very high	94.9	Very high	7 Å²	7	36.9 Å²	36.9	4%	0.037	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-73.6	162.3	171.9	-67	168.8	0	0	0	110.9	L662 V802 V815 L817 P819 L825	L662-L796 HydrophobicContact CD1-CB 3.69Å; L662-L796 HydrophobicContact CD1-CD1 3.99Å; L662-L796 HydrophobicContact CD1-CD2 4.07Å; L662-L796 HydrophobicContact CD1-CG 4.13Å; L796-V802 HydrophobicContact CD1-CG2 3.71Å; L796-V802 HydrophobicContact CD2-CG2 4.01Å; L796-V815 HydrophobicContact CD2-CB 4.21Å; L796-V815 HydrophobicContact CD2-CG1 3.65Å; L796-V815 WeakPolarHBondContact CD2-O 3.48Å; L796-V815 HydrophobicContact CG-CG1 3.94Å; L796-L817 PolarHBondContact N-O 3.35Å; L796-P819 HydrophobicContact CB-CG 4.49Å; L796-P819 VanDerWaalsContact O-CA 3.25Å; L796-P819 WeakPolarHBondContact O-CA 3.47Å; L796-P819 WeakPolarHBondContact O-CB 3.43Å; L796-L825 HydrophobicContact CD1-CD1 3.56Å; L796-L825 HydrophobicContact CD1-CD2 4.47Å; L796-L825 HydrophobicContact CD1-CG 4.03Å
797	W	98	Very high	95.1	Very high	66 Å²	66	35.2 Å²	35.2	25%	0.25	18%	0.178	C	C	.	.			trans	-133.4	158	175.1	-157.2	-114	0	0	0	112.6	L662 V739 K741 D799 Q800 P819	L662-W797 WeakPolarHBondContact CD1-O 3.2Å; V739-W797 HydrophobicContact CG1-CZ3 4.33Å; K741-W797 HydrophobicContact CB-CB 4.01Å; K741-W797 HydrophobicContact CB-CD2 3.99Å; K741-W797 HydrophobicContact CB-CG 3.67Å; K741-W797 HydrophobicContact CD-CB 4.35Å; K741-W797 HydrophobicContact CD-CG 4.27Å; K741-W797 HydrophobicContact CG-CB 3.77Å; K741-W797 HydrophobicContact CG-CG 3.88Å; W797-D799 VanDerWaalsContact CD1-OD1 3.24Å; W797-D799 PolarHBondContact O-N 3.29Å; W797-D799 VanDerWaalsContact O-N 3.12Å; W797-Q800 HydrophobicContact CB-CG 4.14Å; W797-Q800 WeakPolarHBondContact O-CB 3.34Å; W797-Q800 PolarHBondContact O-N 3.21Å; W797-P819 HydrophobicContact CE3-CB 4.14Å; W797-P819 WeakPolarHBondContact CZ3-O 3.3Å
798	W	97.7	Very high	95.2	Very high	70 Å²	70	43.3 Å²	43.3	27%	0.265	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-26	-171.4	-59.1	115.7	0	0	0	114.6	L661 L662 G663 F666 H818 P819 T820	L661-W798 WeakPolarHBondContact CB-O 3.37Å; L662-W798 PolarHBondContact N-O 3.38Å; G663-W798 PolarHBondContact N-O 2.84Å; F666-W798 HydrophobicContact CD2-CH2 4.45Å; F666-W798 AromaticContact CD2-CZ3 3.76Å; F666-W798 HydrophobicContact CD2-CZ3 3.76Å; F666-W798 HydrophobicContact CE2-CE3 4.32Å; F666-W798 HydrophobicContact CE2-CH2 4.36Å; F666-W798 AromaticContact CE2-CZ3 3.6Å; F666-W798 HydrophobicContact CE2-CZ3 3.6Å; W798-H818 AromaticContact CH2-CE1 3.75Å; W798-H818 AromaticContact CH2-NE2 3.77Å; W798-P819 HydrophobicContact CD2-CB 3.95Å; W798-P819 HydrophobicContact CD2-CG 4.03Å; W798-P819 HydrophobicContact CE3-CB 4.42Å; W798-P819 HydrophobicContact CE3-CG 4.01Å; W798-P819 HydrophobicContact CG-CB 4.4Å; W798-P819 HydrophobicContact CH2-CB 4.34Å; W798-P819 HydrophobicContact CH2-CG 4.21Å; W798-P819 HydrophobicContact CZ2-CB 3.83Å; W798-P819 HydrophobicContact CZ2-CG 4.2Å; W798-P819 HydrophobicContact CZ3-CG 4.12Å; W798-T820 HydrophobicContact CZ2-CG2 3.91Å
799	D	96.2	Very high	95.2	Very high	68 Å²	68	38.9 Å²	38.9	36%	0.364	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	12.8	-179.7	68.9	-8.2	0	0	0	113.4	L661 K741 W797	L661-D799 HydrophobicContact CD1-CB 4.35Å; K741-D799 WeakPolarHBondContact CE-OD1 3.48Å; K741-D799 IonicContact NZ-OD1 2.61Å; K741-D799 PolarHBondContact NZ-OD1 3.23Å; K741-D799 IonicContact NZ-OD2 3.08Å; K741-D799 PolarHBondContact NZ-OD2 3.13Å; W797-D799 VanDerWaalsContact CD1-OD1 3.24Å; W797-D799 PolarHBondContact O-N 3.29Å; W797-D799 VanDerWaalsContact O-N 3.12Å
800	Q	94.1	Very high	95.3	Very high	53 Å²	53	40.4 Å²	40.4	25%	0.248	20%	0.195	C	C	.	.			trans	-105.4	178.4	177.8	-62	-176.5	-59.7	0	0	111	L662 W797	L662-Q800 HydrophobicContact CD1-CB 4.35Å; L662-Q800 VanDerWaalsContact CG-O 3.3Å; L662-Q800 WeakPolarHBondContact CG-O 3.48Å; L662-Q800 PolarHBondContact N-O 3.01Å; W797-Q800 HydrophobicContact CB-CG 4.14Å; W797-Q800 WeakPolarHBondContact O-CB 3.34Å; W797-Q800 PolarHBondContact O-N 3.21Å
801	T	93.9	Very high	95.4	Very high	38 Å²	38	36.5 Å²	36.5	23%	0.233	18%	0.175	C	C	.	.			trans	-122.2	169.6	167.6	60	0	0	0	0	109.1	P604 L661	P604-T801 WeakPolarHBondContact O-CA 3.01Å; P604-T801 WeakPolarHBondContact O-CB 3.49Å; L661-T801 HydrophobicContact CD2-CG2 4.01Å
802	V	92.9	Very high	95.4	Very high	18 Å²	18	36 Å²	36	11%	0.109	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-105.6	114.9	167.3	171	0	0	0	0	107.4	P604 Q605 L662 L796 T804 V805 L833	P604-V802 PolarHBondContact O-N 2.92Å; Q605-V802 WeakPolarHBondContact CA-O 3.33Å; Q605-V802 WeakPolarHBondContact CB-O 3.4Å; L662-V802 HydrophobicContact CD1-CG2 4.41Å; L662-V802 HydrophobicContact CD2-CG2 3.9Å; L796-V802 HydrophobicContact CD1-CG2 3.71Å; L796-V802 HydrophobicContact CD2-CG2 4.01Å; V802-T804 PolarHBondContact O-N 2.92Å; V802-V805 HydrophobicContact CG1-CG2 4.11Å; V802-L833 HydrophobicContact CB-CD1 4.36Å; V802-L833 HydrophobicContact CG2-CD1 3.99Å
803	P	85.7	Confident	95.2	Very high	45 Å²	45	39.4 Å²	39.4	29%	0.292	19%	0.192	S	C	.	.	S	Bend	trans	-52.1	-54.9	-174.5	-28.5	34.7	0	0	0	112.8	F606 R607	F606-P803 CarbonylContact C-O 3.43Å; F606-P803 WeakPolarHBondContact CA-O 3.21Å; F606-P803 PolarHBondContact N-O 2.72Å; F606-P803 VanDerWaalsContact O-O 3.09Å; R607-P803 PolarHBondContact N-O 3.4Å
804	T	91.6	Very high	95	Very high	26 Å²	26	41.3 Å²	41.3	16%	0.16	20%	0.201	C	C	.	.			trans	-136.2	120.9	175.8	-58.3	0	0	0	0	108.8	E88 R607 V802 V806	E88-T804 PolarHBondContact OE1-OG1 3.06Å; R607-T804 HydrophobicContact CG-CG2 4.45Å; R607-T804 VanDerWaalsContact NH1-CG2 3.28Å; V802-T804 PolarHBondContact O-N 2.92Å; T804-V806 HydrophobicContact CG2-CG1 4.22Å; T804-V806 PolarHBondContact O-N 3.23Å
805	V	94.8	Very high	94.9	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.012	22%	0.216	C	C	.	.			trans	-69.1	123.1	166.4	-179.9	0	0	0	0	108.4	R607 V802 N830 L833 V853	R607-V805 PolarHBondContact NH1-O 3.19Å; V802-V805 HydrophobicContact CG1-CG2 4.11Å; V805-N830 HydrophobicContact CG1-CB 3.94Å; V805-L833 HydrophobicContact CG2-CB 3.59Å; V805-L833 HydrophobicContact CG2-CD1 4.17Å; V805-V853 HydrophobicContact CG1-CG1 4.25Å
806	V	94.3	Very high	94.9	Very high	56 Å²	56	44 Å²	44	34%	0.339	22%	0.217	S	C	.	.			trans	-110.5	170.5	-175.6	-63.1	0	0	0	0	112.1	T804 R808 Q814	T804-V806 HydrophobicContact CG2-CG1 4.22Å; T804-V806 PolarHBondContact O-N 3.23Å; V806-R808 VanDerWaalsContact C-N 3.32Å; V806-R808 WeakPolarHBondContact CG2-O 3.34Å; V806-R808 PolarHBondContact O-N 3.08Å; V806-Q814 VanDerWaalsContact CG2-OE1 3.27Å
807	T	95.6	Very high	95	Very high	36 Å²	36	43.6 Å²	43.6	22%	0.221	22%	0.215	C	C	.	.	S	Bend	trans	-75.6	-15.8	-175.4	53.2	0	0	0	0	114.8	Y850 I851 N855	T807-Y850 CarbonylContact O-C 3.14Å; T807-Y850 WeakPolarHBondContact O-CB 3.21Å; T807-I851 HydrophobicContact CG2-CG2 4.36Å; T807-I851 PolarHBondContact O-N 3.34Å; T807-N855 WeakPolarHBondContact CG2-OD1 3.38Å
808	R	94.6	Very high	95	Very high	173 Å²	173	40.6 Å²	40.6	65%	0.653	20%	0.204	S	C	*	.			trans	-111.5	140.6	-175.9	-74.7	-169.3	-61.6	-101.4	1.4	110.5	V806 E810 Q814	V806-R808 VanDerWaalsContact C-N 3.32Å; V806-R808 WeakPolarHBondContact CG2-O 3.34Å; V806-R808 PolarHBondContact O-N 3.08Å; R808-E810 VanDerWaalsContact CB-OE2 3.31Å; R808-E810 WeakPolarHBondContact CB-OE2 3.31Å; R808-Q814 PolarHBondContact O-NE2 2.54Å
809	A	96.5	Very high	95	Very high	2 Å²	2	37.3 Å²	37.3	2%	0.017	19%	0.191	C	C	.	.			trans	-114.6	6.9	-176.3	0	0	0	0	0	113.6	L724 I816 V824 Y850	L724-A809 HydrophobicContact CB-CB 3.95Å; L724-A809 HydrophobicContact CD2-CB 4.15Å; A809-I816 HydrophobicContact CB-CD1 4.13Å; A809-V824 WeakPolarHBondContact O-CG1 3.04Å; A809-Y850 HydrophobicContact CB-CD1 3.79Å; A809-Y850 HydrophobicContact CB-CD2 3.76Å; A809-Y850 HydrophobicContact CB-CE1 3.62Å; A809-Y850 HydrophobicContact CB-CE2 3.61Å; A809-Y850 HydrophobicContact CB-CG 3.86Å
810	E	97.2	Very high	95.1	Very high	41 Å²	41	37 Å²	37	19%	0.192	19%	0.192	C	C	.	.			trans	-67.2	134.1	177.6	-68.5	79.3	-176.3	0	0	111.3	L724 R808 H812 Q814 K847	L724-E810 HydrophobicContact CD2-CG 3.93Å; R808-E810 VanDerWaalsContact CB-OE2 3.31Å; R808-E810 WeakPolarHBondContact CB-OE2 3.31Å; E810-H812 PolarHBondContact O-N 3.26Å; E810-H812 VanDerWaalsContact O-N 3.1Å; E810-Q814 WeakPolarHBondContact O-CG 3.38Å; E810-Q814 PolarHBondContact O-NE2 3.46Å; E810-K847 WeakPolarHBondContact OE1-CE 3.48Å; E810-K847 IonicContact OE1-NZ 3.6Å; E810-K847 PolarHBondContact OE1-NZ 3.45Å
811	P	96.6	Very high	95.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	6.5	-176.1	33.1	-37	0	0	0	113.7	L726 F793 N813 I816 L817 V824	L726-P811 HydrophobicContact CD2-CG 4.08Å; F793-P811 WeakPolarHBondContact CA-O 3.31Å; F793-P811 HydrophobicContact CD1-CB 4.04Å; F793-P811 HydrophobicContact CD1-CG 3.97Å; F793-P811 HydrophobicContact CE1-CB 4.34Å; F793-P811 HydrophobicContact CE1-CG 3.78Å; F793-P811 HydrophobicContact CZ-CG 4.48Å; F793-P811 PolarHBondContact N-O 3.47Å; P811-N813 PolarHBondContact O-N 2.93Å; P811-I816 HydrophobicContact CB-CG2 4.22Å; P811-L817 HydrophobicContact CB-CD2 3.89Å; P811-V824 HydrophobicContact CB-CG1 4.34Å; P811-V824 HydrophobicContact CG-CG1 4.47Å
812	H	96.2	Very high	95.5	Very high	50 Å²	50	35.4 Å²	35.4	23%	0.231	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-36.7	-164.7	-56.4	154.2	0	0	0	113.3	D730 Y780 P792 F793 E810	D730-H812 IonicContact OD1-NE2 3.57Å; D730-H812 IonicContact OD2-CE1 2.76Å; D730-H812 IonicContact OD2-NE2 3.07Å; D730-H812 PolarHBondContact OD2-NE2 2.9Å; Y780-H812 HydrophobicContact CE2-CB 3.86Å; Y780-H812 WeakPolarHBondContact CE2-O 3.48Å; Y780-H812 WeakPolarHBondContact OH-CB 3.47Å; Y780-H812 PolarHBondContact OH-CD2 3.02Å; P792-H812 WeakPolarHBondContact CA-O 3.39Å; P792-H812 VanDerWaalsContact CB-O 3.24Å; P792-H812 WeakPolarHBondContact CB-O 3.5Å; F793-H812 AromaticContact CZ-CD2 3.92Å; E810-H812 PolarHBondContact O-N 3.26Å; E810-H812 VanDerWaalsContact O-N 3.1Å
813	N	92.3	Very high	95.7	Very high	71 Å²	71	34.5 Å²	34.5	38%	0.38	18%	0.183	S	C	.	.	S	Bend	trans	-134.1	20.4	-175.5	-59.4	87.3	0	0	0	112.8	F784 P811	F784-N813 VanDerWaalsContact CD2-ND2 3.29Å; F784-N813 WeakPolarHBondContact CD2-ND2 3.4Å; F784-N813 HydrophobicContact CE1-CB 3.97Å; F784-N813 HydrophobicContact CE2-CB 4.3Å; F784-N813 VanDerWaalsContact CE2-ND2 3.27Å; F784-N813 WeakPolarHBondContact CE2-ND2 3.48Å; F784-N813 HydrophobicContact CZ-CB 3.79Å; P811-N813 PolarHBondContact O-N 2.93Å
814	Q	93.8	Very high	96.3	Very high	40 Å²	40	32.4 Å²	32.4	19%	0.187	17%	0.169	C	C	.	.	S	Bend	trans	-148.3	153.1	-174.2	57.9	178.4	-13.9	0	0	112.9	K791 V806 R808 E810 I816	K791-Q814 CarbonylContact O-C 3.51Å; V806-Q814 VanDerWaalsContact CG2-OE1 3.27Å; R808-Q814 PolarHBondContact O-NE2 2.54Å; E810-Q814 WeakPolarHBondContact O-CG 3.38Å; E810-Q814 PolarHBondContact O-NE2 3.46Å; Q814-I816 HydrophobicContact CG-CB 4.18Å; Q814-I816 HydrophobicContact CG-CG2 3.98Å; Q814-I816 PolarHBondContact O-N 3.07Å
815	V	96.6	Very high	96.7	Very high	53 Å²	53	31.2 Å²	31.2	32%	0.321	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	95.8	174.7	-170.2	0	0	0	0	108.2	K791 G794 L796	K791-V815 HydrophobicContact CB-CG2 4.4Å; K791-V815 HydrophobicContact CG-CG2 4.42Å; G794-V815 VanDerWaalsContact C-CG1 3.5Å; G794-V815 CarbonylContact O-C 3.48Å; G794-V815 WeakPolarHBondContact O-CA 3.37Å; L796-V815 HydrophobicContact CD2-CB 4.21Å; L796-V815 HydrophobicContact CD2-CG1 3.65Å; L796-V815 WeakPolarHBondContact CD2-O 3.48Å; L796-V815 HydrophobicContact CG-CG1 3.94Å
816	I	97.4	Very high	96.9	Very high	8 Å²	8	31.1 Å²	31.1	4%	0.041	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	1.3	-173.5	-159.9	173.5	0	0	0	113.3	G794 A809 P811 Q814 H818 V824 L825	G794-I816 PolarHBondContact O-N 3.34Å; G794-I816 VanDerWaalsContact O-N 3.1Å; A809-I816 HydrophobicContact CB-CD1 4.13Å; P811-I816 HydrophobicContact CB-CG2 4.22Å; Q814-I816 HydrophobicContact CG-CB 4.18Å; Q814-I816 HydrophobicContact CG-CG2 3.98Å; Q814-I816 PolarHBondContact O-N 3.07Å; I816-H818 PolarHBondContact O-N 3.49Å; I816-V824 HydrophobicContact CG2-CB 4.25Å; I816-V824 HydrophobicContact CG2-CG1 3.95Å; I816-V824 CarbonylContact O-C 3.55Å; I816-V824 WeakPolarHBondContact O-CA 3.08Å; I816-L825 HydrophobicContact CG1-CB 4.29Å; I816-L825 HydrophobicContact CG1-CG 4.41Å; I816-L825 PolarHBondContact O-N 3.06Å
817	L	98.2	Very high	97.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	136.7	177.1	-50.5	179.6	0	0	0	109.9	V734 I737 F793 G794 R795 L796 P811 R823 V824	V734-L817 HydrophobicContact CB-CD2 4.42Å; V734-L817 HydrophobicContact CG1-CD1 4.2Å; V734-L817 HydrophobicContact CG1-CD2 3.99Å; V734-L817 HydrophobicContact CG2-CD1 4.03Å; V734-L817 HydrophobicContact CG2-CD2 3.51Å; V734-L817 HydrophobicContact CG2-CG 4.43Å; I737-L817 HydrophobicContact CB-CD1 4.17Å; I737-L817 HydrophobicContact CG1-CD1 3.97Å; I737-L817 HydrophobicContact CG2-CD1 4.14Å; F793-L817 WeakPolarHBondContact O-CD1 3.29Å; G794-L817 WeakPolarHBondContact O-CG 3.2Å; G794-L817 PolarHBondContact O-N 3.1Å; G794-L817 VanDerWaalsContact O-N 3.07Å; R795-L817 HydrophobicContact CB-CB 4.14Å; R795-L817 HydrophobicContact CG-CB 4.22Å; L796-L817 PolarHBondContact N-O 3.35Å; P811-L817 HydrophobicContact CB-CD2 3.89Å; L817-R823 WeakPolarHBondContact CA-O 3.45Å; L817-V824 HydrophobicContact CD2-CG1 4.02Å
818	H	98.5	Very high	97.2	Very high	3 Å²	3	26.7 Å²	26.7	1%	0.014	13%	0.134	C	C	.	.			trans	-58.7	142.8	178.7	179.2	-80.7	0	0	0	110.6	R795 W798 I816 T820 Q821 R823 L825 E829	R795-H818 PolarHBondContact NH1-O 2.98Å; W798-H818 AromaticContact CH2-CE1 3.75Å; W798-H818 AromaticContact CH2-NE2 3.77Å; I816-H818 PolarHBondContact O-N 3.49Å; H818-T820 VanDerWaalsContact C-N 3.29Å; H818-T820 PolarHBondContact CE1-OG1 3.44Å; H818-T820 VanDerWaalsContact CE1-OG1 3.28Å; H818-T820 PolarHBondContact ND1-N 2.82Å; H818-T820 PolarHBondContact O-N 3.44Å; H818-T820 VanDerWaalsContact O-N 3.1Å; H818-Q821 HydrophobicContact CB-CB 4.1Å; H818-Q821 PolarHBondContact CE1-NE2 2.8Å; H818-Q821 WeakPolarHBondContact ND1-CB 3.44Å; H818-Q821 WeakPolarHBondContact ND1-CG 3.18Å; H818-Q821 PolarHBondContact ND1-N 2.97Å; H818-Q821 VanDerWaalsContact ND1-N 3.12Å; H818-Q821 PolarHBondContact NE2-NE2 3.07Å; H818-R823 HydrophobicContact CB-CG 4.21Å; H818-R823 PolarHBondContact CD2-NH2 3.12Å; H818-R823 PolarHBondContact N-O 3.38Å; H818-L825 HydrophobicContact CB-CD2 4.26Å; H818-E829 IonicContact CD2-OE1 3.75Å; H818-E829 PolarHBondContact CD2-OE1 3.39Å; H818-E829 VanDerWaalsContact CD2-OE1 3.27Å; H818-E829 IonicContact CD2-OE2 2.72Å; H818-E829 IonicContact NE2-OE1 3.48Å
819	P	98	Very high	97.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-55.3	-35.4	-173.7	-29.6	35.4	0	0	0	116.1	V739 R795 L796 W797 W798	V739-P819 WeakPolarHBondContact CG1-O 3.24Å; R795-P819 WeakPolarHBondContact CD-O 3.43Å; L796-P819 HydrophobicContact CB-CG 4.49Å; L796-P819 VanDerWaalsContact O-CA 3.25Å; L796-P819 WeakPolarHBondContact O-CA 3.47Å; L796-P819 WeakPolarHBondContact O-CB 3.43Å; W797-P819 HydrophobicContact CE3-CB 4.14Å; W797-P819 WeakPolarHBondContact CZ3-O 3.3Å; W798-P819 HydrophobicContact CD2-CB 3.95Å; W798-P819 HydrophobicContact CD2-CG 4.03Å; W798-P819 HydrophobicContact CE3-CB 4.42Å; W798-P819 HydrophobicContact CE3-CG 4.01Å; W798-P819 HydrophobicContact CG-CB 4.4Å; W798-P819 HydrophobicContact CH2-CB 4.34Å; W798-P819 HydrophobicContact CH2-CG 4.21Å; W798-P819 HydrophobicContact CZ2-CB 3.83Å; W798-P819 HydrophobicContact CZ2-CG 4.2Å; W798-P819 HydrophobicContact CZ3-CG 4.12Å
820	T	97.9	Very high	97.5	Very high	62 Å²	62	18.8 Å²	18.8	38%	0.38	10%	0.104	S	C	.	.	S	Bend	trans	-128.1	-0.1	-174.8	60.3	0	0	0	0	115.3	W798 H818	W798-T820 HydrophobicContact CZ2-CG2 3.91Å; H818-T820 VanDerWaalsContact C-N 3.29Å; H818-T820 PolarHBondContact CE1-OG1 3.44Å; H818-T820 VanDerWaalsContact CE1-OG1 3.28Å; H818-T820 PolarHBondContact ND1-N 2.82Å; H818-T820 PolarHBondContact O-N 3.44Å; H818-T820 VanDerWaalsContact O-N 3.1Å
821	Q	98.2	Very high	97.6	Very high	21 Å²	21	16.8 Å²	16.8	10%	0.098	10%	0.095	C	C	.	.	S	Bend	trans	-119.6	146.2	-172.7	-60.8	175.7	51.5	0	0	108.8	V672 R795 H818 R823	V672-Q821 PolarHBondContact O-OE1 3.08Å; R795-Q821 PolarHBondContact NH1-O 2.93Å; H818-Q821 HydrophobicContact CB-CB 4.1Å; H818-Q821 PolarHBondContact CE1-NE2 2.8Å; H818-Q821 WeakPolarHBondContact ND1-CB 3.44Å; H818-Q821 WeakPolarHBondContact ND1-CG 3.18Å; H818-Q821 PolarHBondContact ND1-N 2.97Å; H818-Q821 VanDerWaalsContact ND1-N 3.12Å; H818-Q821 PolarHBondContact NE2-NE2 3.07Å; Q821-R823 HydrophobicContact CB-CG 3.9Å; Q821-R823 PolarHBondContact O-N 2.8Å
822	A	98.2	Very high	97.7	Very high	36 Å²	36	16.8 Å²	16.8	30%	0.298	10%	0.095	S	C	.	.	S	Bend	trans	-81.3	63.5	178.7	0	0	0	0	0	110.8	Y731 V734 K735	Y731-A822 HydrophobicContact CE2-CB 4.28Å; Y731-A822 VanDerWaalsContact CE2-O 3.24Å; Y731-A822 WeakPolarHBondContact CE2-O 3.44Å; V734-A822 HydrophobicContact CG1-CB 4.39Å; K735-A822 HydrophobicContact CG-CB 4.07Å
823	R	98.4	Very high	97.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-156.6	167.2	178.5	56.4	168.6	-179.3	83.9	-9.9	109.9	V672 P723 L817 H818 Q821 E829	V672-R823 WeakPolarHBondContact O-CD 3.47Å; V672-R823 PolarHBondContact O-NE 2.84Å; P723-R823 HydrophobicContact CB-CB 4.35Å; P723-R823 HydrophobicContact CG-CB 4.38Å; L817-R823 WeakPolarHBondContact CA-O 3.45Å; H818-R823 HydrophobicContact CB-CG 4.21Å; H818-R823 PolarHBondContact CD2-NH2 3.12Å; H818-R823 PolarHBondContact N-O 3.38Å; Q821-R823 HydrophobicContact CB-CG 3.9Å; Q821-R823 PolarHBondContact O-N 2.8Å; R823-E829 IonicContact CZ-OE1 3.04Å; R823-E829 IonicContact CZ-OE2 3.27Å; R823-E829 IonicContact NH1-OE1 3.15Å; R823-E829 PolarHBondContact NH1-OE1 2.8Å; R823-E829 IonicContact NH1-OE2 2.77Å; R823-E829 PolarHBondContact NH1-OE2 3.33Å; R823-E829 IonicContact NH2-OE1 2.76Å; R823-E829 PolarHBondContact NH2-OE1 2.95Å; R823-E829 IonicContact NH2-OE2 3.63Å
824	V	98.4	Very high	98	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.066	C	C	.	.	B	Isolated β-bridge	trans	-71.6	166.5	162.8	-58.1	0	0	0	0	110.5	P723 L724 L726 A809 P811 I816 L817	P723-V824 HydrophobicContact CB-CG2 3.86Å; L724-V824 HydrophobicContact CB-CG2 3.87Å; L726-V824 HydrophobicContact CD1-CG1 4.26Å; L726-V824 HydrophobicContact CD2-CG1 4.04Å; L726-V824 HydrophobicContact CG-CG1 4.43Å; A809-V824 WeakPolarHBondContact O-CG1 3.04Å; P811-V824 HydrophobicContact CB-CG1 4.34Å; P811-V824 HydrophobicContact CG-CG1 4.47Å; I816-V824 HydrophobicContact CG2-CB 4.25Å; I816-V824 HydrophobicContact CG2-CG1 3.95Å; I816-V824 CarbonylContact O-C 3.55Å; I816-V824 WeakPolarHBondContact O-CA 3.08Å; L817-V824 HydrophobicContact CD2-CG1 4.02Å
825	L	98.5	Very high	98.2	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.005	6%	0.057	C	C	.	.	P	Polyproline II helix	trans	-57.4	140.4	168.1	-68.4	-173.6	0	0	0	111	F666 L796 I816 H818 E829 L833 Y850	F666-L825 HydrophobicContact CE2-CD2 4.18Å; F666-L825 HydrophobicContact CZ-CD2 3.97Å; L796-L825 HydrophobicContact CD1-CD1 3.56Å; L796-L825 HydrophobicContact CD1-CD2 4.47Å; L796-L825 HydrophobicContact CD1-CG 4.03Å; I816-L825 HydrophobicContact CG1-CB 4.29Å; I816-L825 HydrophobicContact CG1-CG 4.41Å; I816-L825 PolarHBondContact O-N 3.06Å; H818-L825 HydrophobicContact CB-CD2 4.26Å; L825-E829 WeakPolarHBondContact CA-OE2 3.39Å; L825-E829 HydrophobicContact CB-CB 4.25Å; L825-E829 HydrophobicContact CD2-CB 4.38Å; L825-E829 WeakPolarHBondContact CD2-OE2 3.29Å; L825-L833 HydrophobicContact CD1-CD1 3.88Å; L825-Y850 PolarHBondContact O-OH 3.5Å
826	T	98.8	Very high	98.3	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.042	C	C	.	.	B	Isolated β-bridge	trans	-71.7	162.8	175.4	65.8	0	0	0	0	112.1	V672 H721 Q722 P723 R828 E829 N830	V672-T826 HydrophobicContact CG2-CG2 3.85Å; H721-T826 PolarHBondContact CE1-OG1 2.92Å; H721-T826 WeakPolarHBondContact ND1-CG2 3.24Å; H721-T826 PolarHBondContact ND1-OG1 3.01Å; Q722-T826 CarbonylContact O-C 3.55Å; Q722-T826 VanDerWaalsContact O-CA 3.29Å; Q722-T826 WeakPolarHBondContact O-CA 3.38Å; Q722-T826 WeakPolarHBondContact O-CB 3.46Å; P723-T826 HydrophobicContact CB-CG2 4.28Å; T826-R828 VanDerWaalsContact C-N 3.31Å; T826-R828 PolarHBondContact O-N 3.09Å; T826-E829 PolarHBondContact N-OE2 2.88Å; T826-E829 PolarHBondContact O-N 3.31Å; T826-E829 WeakPolarHBondContact OG1-CB 3.2Å; T826-E829 VanDerWaalsContact OG1-CG 3.24Å; T826-E829 WeakPolarHBondContact OG1-CG 3.34Å; T826-E829 PolarHBondContact OG1-N 3.22Å; T826-E829 VanDerWaalsContact OG1-N 3.1Å; T826-E829 PolarHBondContact OG1-OE2 3.5Å; T826-N830 PolarHBondContact O-N 3.03Å
827	I	98.8	Very high	98.3	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-54.4	-48.3	172	-64.7	154.3	0	0	0	110.4	D720 Q722 E829 N830 A831 L842 I846 K849 Y850 V853	D720-I827 HydrophobicContact CB-CB 4.24Å; D720-I827 HydrophobicContact CB-CG2 3.94Å; D720-I827 WeakPolarHBondContact O-CB 3.26Å; Q722-I827 HydrophobicContact CB-CD1 4.48Å; Q722-I827 PolarHBondContact O-N 3.48Å; I827-E829 VanDerWaalsContact C-N 3.34Å; I827-E829 PolarHBondContact O-N 2.98Å; I827-N830 CarbonylContact O-C 3.54Å; I827-N830 PolarHBondContact O-N 2.96Å; I827-A831 WeakPolarHBondContact O-CB 3.4Å; I827-A831 PolarHBondContact O-N 2.97Å; I827-L842 HydrophobicContact CG2-CD1 3.6Å; I827-I846 HydrophobicContact CD1-CB 4.42Å; I827-I846 HydrophobicContact CD1-CD1 3.57Å; I827-I846 HydrophobicContact CD1-CG2 4.04Å; I827-K849 HydrophobicContact CD1-CB 3.6Å; I827-K849 HydrophobicContact CD1-CD 3.73Å; I827-K849 HydrophobicContact CD1-CG 4.27Å; I827-K849 HydrophobicContact CG1-CB 4.08Å; I827-K849 HydrophobicContact CG2-CB 3.93Å; I827-Y850 HydrophobicContact CD1-CE2 4.36Å; I827-Y850 HydrophobicContact CG1-CD1 4.12Å; I827-Y850 HydrophobicContact CG1-CD2 3.85Å; I827-Y850 HydrophobicContact CG1-CE1 3.96Å; I827-Y850 HydrophobicContact CG1-CE2 3.64Å; I827-Y850 HydrophobicContact CG1-CG 4.08Å; I827-V853 HydrophobicContact CG2-CG2 4.31Å
828	R	98.7	Very high	98.3	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-62.6	-36.2	178.6	-171.4	55.2	51.4	-178.6	-4.6	113.8	L718 L719 D720 H721 T826 A831 R832 P837 D838 Y840	L718-R828 HydrophobicContact CD1-CG 3.73Å; L719-R828 WeakPolarHBondContact O-CB 3.21Å; L719-R828 WeakPolarHBondContact O-CG 3.45Å; L719-R828 PolarHBondContact O-NE 3.02Å; D720-R828 WeakPolarHBondContact O-CB 3.41Å; D720-R828 PolarHBondContact O-N 3.11Å; D720-R828 IonicContact OD2-CZ 2.69Å; D720-R828 IonicContact OD2-NH2 3.47Å; D720-R828 PolarHBondContact OD2-NH2 3.17Å; H721-R828 HydrophobicContact CB-CB 4.28Å; T826-R828 VanDerWaalsContact C-N 3.31Å; T826-R828 PolarHBondContact O-N 3.09Å; R828-A831 PolarHBondContact O-N 3.42Å; R828-R832 WeakPolarHBondContact O-CG 3.44Å; R828-R832 PolarHBondContact O-N 3.48Å; R828-P837 PolarHBondContact NH1-O 3.45Å; R828-D838 PolarHBondContact NH1-O 3.13Å; R828-D838 VanDerWaalsContact NH1-O 3.16Å; R828-Y840 PolarHBondContact NH1-O 3.15Å; R828-Y840 PolarHBondContact NH2-O 3.37Å
829	E	98.7	Very high	98.3	Very high	1 Å²	1	7 Å²	7	1%	0.005	4%	0.043	C	C	.	.	H	α-helix	trans	-63.1	-45.3	173.4	-74.8	164.8	168.6	0	0	110.8	F666 L669 H721 H818 R823 L825 T826 I827 A831 R832 L833	F666-E829 HydrophobicContact CB-CG 3.97Å; F666-E829 HydrophobicContact CD1-CB 4.27Å; F666-E829 HydrophobicContact CD1-CG 4.31Å; F666-E829 HydrophobicContact CD2-CG 4.19Å; F666-E829 HydrophobicContact CG-CB 4.39Å; F666-E829 HydrophobicContact CG-CG 3.92Å; L669-E829 HydrophobicContact CD1-CG 3.56Å; H721-E829 IonicContact CE1-OE1 3.65Å; H818-E829 IonicContact CD2-OE1 3.75Å; H818-E829 PolarHBondContact CD2-OE1 3.39Å; H818-E829 VanDerWaalsContact CD2-OE1 3.27Å; H818-E829 IonicContact CD2-OE2 2.72Å; H818-E829 IonicContact NE2-OE1 3.48Å; R823-E829 IonicContact CZ-OE1 3.04Å; R823-E829 IonicContact CZ-OE2 3.27Å; R823-E829 IonicContact NH1-OE1 3.15Å; R823-E829 PolarHBondContact NH1-OE1 2.8Å; R823-E829 IonicContact NH1-OE2 2.77Å; R823-E829 PolarHBondContact NH1-OE2 3.33Å; R823-E829 IonicContact NH2-OE1 2.76Å; R823-E829 PolarHBondContact NH2-OE1 2.95Å; R823-E829 IonicContact NH2-OE2 3.63Å; L825-E829 WeakPolarHBondContact CA-OE2 3.39Å; L825-E829 HydrophobicContact CB-CB 4.25Å; L825-E829 HydrophobicContact CD2-CB 4.38Å; L825-E829 WeakPolarHBondContact CD2-OE2 3.29Å; T826-E829 PolarHBondContact N-OE2 2.88Å; T826-E829 PolarHBondContact O-N 3.31Å; T826-E829 WeakPolarHBondContact OG1-CB 3.2Å; T826-E829 VanDerWaalsContact OG1-CG 3.24Å; T826-E829 WeakPolarHBondContact OG1-CG 3.34Å; T826-E829 PolarHBondContact OG1-N 3.22Å; T826-E829 VanDerWaalsContact OG1-N 3.1Å; T826-E829 PolarHBondContact OG1-OE2 3.5Å; I827-E829 VanDerWaalsContact C-N 3.34Å; I827-E829 PolarHBondContact O-N 2.98Å; E829-A831 VanDerWaalsContact C-N 3.34Å; E829-A831 PolarHBondContact O-N 3.12Å; E829-R832 PolarHBondContact O-N 2.9Å; E829-L833 WeakPolarHBondContact O-CG 3.42Å; E829-L833 PolarHBondContact O-N 3.16Å
830	N	98.5	Very high	98.3	Very high	7 Å²	7	7 Å²	7	4%	0.037	4%	0.043	C	C	.	.	H	α-helix	trans	-63.9	-38.3	173.3	-79.4	17.3	0	0	0	112.3	V805 T826 I827 L833 Q834 V853	V805-N830 HydrophobicContact CG1-CB 3.94Å; T826-N830 PolarHBondContact O-N 3.03Å; I827-N830 CarbonylContact O-C 3.54Å; I827-N830 PolarHBondContact O-N 2.96Å; N830-L833 WeakPolarHBondContact O-CB 3.13Å; N830-L833 PolarHBondContact O-N 3.21Å; N830-Q834 PolarHBondContact O-N 3.38Å; N830-V853 HydrophobicContact CB-CG1 3.91Å; N830-V853 WeakPolarHBondContact O-CG1 3.39Å
831	A	98.7	Very high	98.3	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-64.1	-43	179.1	0	0	0	0	0	111.1	I827 R828 E829 L833 Q834 G835 F836 V853	I827-A831 WeakPolarHBondContact O-CB 3.4Å; I827-A831 PolarHBondContact O-N 2.97Å; R828-A831 PolarHBondContact O-N 3.42Å; E829-A831 VanDerWaalsContact C-N 3.34Å; E829-A831 PolarHBondContact O-N 3.12Å; A831-L833 VanDerWaalsContact C-N 3.33Å; A831-L833 PolarHBondContact O-N 3.5Å; A831-Q834 CarbonylContact O-C 3.57Å; A831-Q834 WeakPolarHBondContact O-CA 3.45Å; A831-Q834 PolarHBondContact O-N 2.79Å; A831-Q834 VanDerWaalsContact O-N 3.11Å; A831-G835 PolarHBondContact O-N 3.44Å; A831-F836 HydrophobicContact CB-CB 4.12Å; A831-F836 HydrophobicContact CB-CD2 4.27Å; A831-F836 PolarHBondContact O-N 2.83Å; A831-V853 HydrophobicContact CB-CG1 4.41Å; A831-V853 HydrophobicContact CB-CG2 4.02Å
832	R	98.4	Very high	98.3	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-62.9	-37.5	171.8	-73.2	-165.5	175.4	179.8	0.8	112.4	A665 D668 F691 I695 R828 E829 Q834 G835 D838	A665-R832 VanDerWaalsContact O-CD 3.29Å; A665-R832 WeakPolarHBondContact O-CD 3.3Å; A665-R832 PolarHBondContact O-NH1 3.08Å; D668-R832 IonicContact OD1-CZ 3.76Å; D668-R832 IonicContact OD1-NH1 3.53Å; D668-R832 PolarHBondContact OD1-NH1 3.29Å; D668-R832 IonicContact OD1-NH2 3.47Å; D668-R832 IonicContact OD2-CZ 3.46Å; D668-R832 IonicContact OD2-NH1 2.7Å; D668-R832 PolarHBondContact OD2-NH1 3.16Å; D668-R832 IonicContact OD2-NH2 3.76Å; D668-R832 PolarHBondContact OD2-NH2 3.14Å; D668-R832 VanDerWaalsContact OD2-NH2 3.15Å; F691-R832 HydrophobicContact CE1-CB 4.29Å; F691-R832 WeakPolarHBondContact CZ-O 3.42Å; I695-R832 HydrophobicContact CG1-CG 4.08Å; I695-R832 HydrophobicContact CG2-CG 4.41Å; R828-R832 WeakPolarHBondContact O-CG 3.44Å; R828-R832 PolarHBondContact O-N 3.48Å; E829-R832 PolarHBondContact O-N 2.9Å; R832-Q834 PolarHBondContact O-N 3.2Å; R832-G835 WeakPolarHBondContact O-CA 3.32Å; R832-G835 PolarHBondContact O-N 3.32Å; R832-D838 WeakPolarHBondContact CG-OD1 3.05Å; R832-D838 IonicContact CZ-OD1 2.75Å; R832-D838 IonicContact CZ-OD2 2.74Å; R832-D838 VanDerWaalsContact CZ-OD2 3.23Å; R832-D838 IonicContact NE-OD1 3.45Å; R832-D838 PolarHBondContact NE-OD1 2.72Å; R832-D838 IonicContact NE-OD2 3.91Å; R832-D838 PolarHBondContact NE-OD2 2.66Å; R832-D838 VanDerWaalsContact NE-OD2 3.09Å; R832-D838 IonicContact NH2-OD1 3.56Å; R832-D838 IonicContact NH2-OD2 3.53Å; R832-D838 PolarHBondContact NH2-OD2 3.09Å
833	L	98.1	Very high	98.3	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-63.3	-28.4	173.8	-69.7	168.7	0	0	0	112.9	P604 Q605 L662 A665 F666 V802 V805 L825 E829 N830 A831 G835	P604-L833 HydrophobicContact CB-CD2 3.93Å; P604-L833 HydrophobicContact CG-CD2 3.61Å; Q605-L833 PolarHBondContact NE2-O 3.36Å; L662-L833 HydrophobicContact CD2-CD1 4.16Å; L662-L833 HydrophobicContact CD2-CD2 3.43Å; L662-L833 VanDerWaalsContact CD2-CD2 3.43Å; L662-L833 HydrophobicContact CD2-CG 4.4Å; A665-L833 HydrophobicContact CB-CD2 4.39Å; F666-L833 HydrophobicContact CE1-CD1 4.17Å; F666-L833 HydrophobicContact CE1-CD2 4.08Å; F666-L833 HydrophobicContact CE1-CG 4.18Å; V802-L833 HydrophobicContact CB-CD1 4.36Å; V802-L833 HydrophobicContact CG2-CD1 3.99Å; V805-L833 HydrophobicContact CG2-CB 3.59Å; V805-L833 HydrophobicContact CG2-CD1 4.17Å; L825-L833 HydrophobicContact CD1-CD1 3.88Å; E829-L833 WeakPolarHBondContact O-CG 3.42Å; E829-L833 PolarHBondContact O-N 3.16Å; N830-L833 WeakPolarHBondContact O-CB 3.13Å; N830-L833 PolarHBondContact O-N 3.21Å; A831-L833 VanDerWaalsContact C-N 3.33Å; A831-L833 PolarHBondContact O-N 3.5Å; L833-G835 VanDerWaalsContact C-N 3.33Å
834	Q	98.1	Very high	98.3	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-2.4	171.9	-154.1	69.9	-95.4	0	0	113.2	N830 A831 R832 F836 V853 A856 A858 V859	N830-Q834 PolarHBondContact O-N 3.38Å; A831-Q834 CarbonylContact O-C 3.57Å; A831-Q834 WeakPolarHBondContact O-CA 3.45Å; A831-Q834 PolarHBondContact O-N 2.79Å; A831-Q834 VanDerWaalsContact O-N 3.11Å; R832-Q834 PolarHBondContact O-N 3.2Å; Q834-F836 HydrophobicContact CB-CD2 3.89Å; Q834-F836 HydrophobicContact CB-CE2 4.09Å; Q834-F836 HydrophobicContact CG-CD2 4.23Å; Q834-F836 HydrophobicContact CG-CE2 3.93Å; Q834-V853 HydrophobicContact CB-CG1 4.2Å; Q834-V853 PolarHBondContact NE2-O 2.69Å; Q834-A856 HydrophobicContact CG-CB 4.31Å; Q834-A858 WeakPolarHBondContact O-CA 3.49Å; Q834-V859 PolarHBondContact O-N 3.24Å; Q834-V859 VanDerWaalsContact O-N 3.11Å
835	G	97.9	Very high	98.3	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	17.8	178.4	0	0	0	0	0	115.3	L603 A831 R832 L833 V859	L603-G835 VanDerWaalsContact CD2-CA 3.49Å; A831-G835 PolarHBondContact O-N 3.44Å; R832-G835 WeakPolarHBondContact O-CA 3.32Å; R832-G835 PolarHBondContact O-N 3.32Å; L833-G835 VanDerWaalsContact C-N 3.33Å; G835-V859 WeakPolarHBondContact O-CB 3.44Å
836	F	98.5	Very high	98.3	Very high	2 Å²	2	12 Å²	12	1%	0.009	7%	0.068	C	C	.	.			trans	-63.3	130.2	172.8	-81.8	-81.5	0	0	0	110.9	I695 A831 Q834 Y840 A856 V859	I695-F836 VanDerWaalsContact CD1-C 3.5Å; I695-F836 WeakPolarHBondContact CD1-O 3.4Å; I695-F836 VanDerWaalsContact CG1-O 3.23Å; I695-F836 WeakPolarHBondContact CG1-O 3.35Å; A831-F836 HydrophobicContact CB-CB 4.12Å; A831-F836 HydrophobicContact CB-CD2 4.27Å; A831-F836 PolarHBondContact O-N 2.83Å; Q834-F836 HydrophobicContact CB-CD2 3.89Å; Q834-F836 HydrophobicContact CB-CE2 4.09Å; Q834-F836 HydrophobicContact CG-CD2 4.23Å; Q834-F836 HydrophobicContact CG-CE2 3.93Å; F836-Y840 AromaticContact CD1-CD1 3.62Å; F836-Y840 HydrophobicContact CD1-CD1 3.62Å; F836-Y840 HydrophobicContact CD1-CD2 4.27Å; F836-Y840 HydrophobicContact CD1-CE1 4.14Å; F836-Y840 AromaticContact CD1-CG 3.7Å; F836-Y840 HydrophobicContact CD1-CG 3.7Å; F836-Y840 AromaticContact CE1-CD1 3.8Å; F836-Y840 HydrophobicContact CE1-CD1 3.8Å; F836-Y840 AromaticContact CE1-CE1 3.85Å; F836-Y840 HydrophobicContact CE1-CE1 3.85Å; F836-Y840 HydrophobicContact CE1-CG 4.24Å; F836-A856 HydrophobicContact CE2-CB 3.65Å; F836-A856 HydrophobicContact CZ-CB 3.54Å; F836-V859 HydrophobicContact CD1-CG2 3.86Å; F836-V859 HydrophobicContact CE1-CG2 4.01Å; F836-V859 HydrophobicContact CG-CG2 4.12Å; F836-V859 HydrophobicContact CZ-CG2 4.39Å
837	P	97.4	Very high	98.2	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	9%	0.092	C	C	.	.			trans	-52.5	144	167.9	-23.9	33.5	0	0	0	111	M702 R828 Y839 Y840	M702-P837 HydrophobicContact CE-CG 4.44Å; R828-P837 PolarHBondContact NH1-O 3.45Å; P837-Y839 HydrophobicContact CB-CD1 3.79Å; P837-Y839 HydrophobicContact CB-CD2 4.22Å; P837-Y839 HydrophobicContact CB-CE1 3.43Å; P837-Y839 VanDerWaalsContact CB-CE1 3.43Å; P837-Y839 HydrophobicContact CB-CE2 3.86Å; P837-Y839 HydrophobicContact CB-CG 4.17Å; P837-Y839 VanDerWaalsContact CB-CZ 3.44Å; P837-Y839 HydrophobicContact CG-CE1 4.17Å; P837-Y839 HydrophobicContact CG-CE2 4.27Å; P837-Y839 PolarHBondContact O-N 2.89Å; P837-Y840 WeakPolarHBondContact O-CB 3.05Å; P837-Y840 PolarHBondContact O-N 3.06Å
838	D	98	Very high	98.2	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.016	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.9	-175.5	-86.7	-9.2	0	0	0	112.9	Y683 I695 R696 R828 R832 Y840	Y683-D838 VanDerWaalsContact OH-CB 3.26Å; Y683-D838 WeakPolarHBondContact OH-CB 3.39Å; Y683-D838 VanDerWaalsContact OH-CG 3.3Å; Y683-D838 PolarHBondContact OH-OD2 2.94Å; I695-D838 WeakPolarHBondContact O-CB 3.34Å; I695-D838 PolarHBondContact O-N 2.97Å; R696-D838 HydrophobicContact CG-CB 4.42Å; R696-D838 WeakPolarHBondContact CG-OD2 3.44Å; R828-D838 PolarHBondContact NH1-O 3.13Å; R828-D838 VanDerWaalsContact NH1-O 3.16Å; R832-D838 WeakPolarHBondContact CG-OD1 3.05Å; R832-D838 IonicContact CZ-OD1 2.75Å; R832-D838 IonicContact CZ-OD2 2.74Å; R832-D838 VanDerWaalsContact CZ-OD2 3.23Å; R832-D838 IonicContact NE-OD1 3.45Å; R832-D838 PolarHBondContact NE-OD1 2.72Å; R832-D838 IonicContact NE-OD2 3.91Å; R832-D838 PolarHBondContact NE-OD2 2.66Å; R832-D838 VanDerWaalsContact NE-OD2 3.09Å; R832-D838 IonicContact NH2-OD1 3.56Å; R832-D838 IonicContact NH2-OD2 3.53Å; R832-D838 PolarHBondContact NH2-OD2 3.09Å; D838-Y840 PolarHBondContact O-N 3.47Å
839	Y	97.1	Very high	98.2	Very high	12 Å²	12	20 Å²	20	5%	0.047	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-12.8	172	64.8	-113	0	0	0	113.4	L697 R699 M702 D704 P837 R841	L697-Y839 WeakPolarHBondContact O-CD1 3.26Å; R699-Y839 HydrophobicContact CB-CE1 4.48Å; R699-Y839 HydrophobicContact CG-CD1 3.94Å; R699-Y839 HydrophobicContact CG-CD2 3.8Å; R699-Y839 HydrophobicContact CG-CE1 3.87Å; R699-Y839 HydrophobicContact CG-CE2 3.77Å; R699-Y839 HydrophobicContact CG-CG 3.92Å; R699-Y839 VanDerWaalsContact CZ-CD2 3.44Å; M702-Y839 HydrophobicContact CB-CE1 4.26Å; M702-Y839 HydrophobicContact CG-CE1 3.96Å; D704-Y839 WeakPolarHBondContact OD2-CE2 3.44Å; D704-Y839 PolarHBondContact OD2-OH 2.82Å; P837-Y839 HydrophobicContact CB-CD1 3.79Å; P837-Y839 HydrophobicContact CB-CD2 4.22Å; P837-Y839 HydrophobicContact CB-CE1 3.43Å; P837-Y839 VanDerWaalsContact CB-CE1 3.43Å; P837-Y839 HydrophobicContact CB-CE2 3.86Å; P837-Y839 HydrophobicContact CB-CG 4.17Å; P837-Y839 VanDerWaalsContact CB-CZ 3.44Å; P837-Y839 HydrophobicContact CG-CE1 4.17Å; P837-Y839 HydrophobicContact CG-CE2 4.27Å; P837-Y839 PolarHBondContact O-N 2.89Å; Y839-R841 PolarHBondContact O-N 3.3Å; Y839-R841 VanDerWaalsContact O-N 3.15Å
840	Y	98.2	Very high	98.2	Very high	1 Å²	1	20 Å²	20	0%	0.004	10%	0.103	C	C	.	.			trans	-73.4	108.6	-177.6	-153	-83.8	0	0	0	109.4	C354 T359 N391 H392 R828 F836 P837 D838 L842	C354-Y840 WeakPolarHBondContact O-CE1 3.4Å; C354-Y840 PolarHBondContact O-OH 3.13Å; T359-Y840 HydrophobicContact CG2-CD2 4.28Å; T359-Y840 HydrophobicContact CG2-CE2 3.83Å; T359-Y840 VanDerWaalsContact OG1-CE2 3.26Å; T359-Y840 WeakPolarHBondContact OG1-CE2 3.28Å; T359-Y840 PolarHBondContact OG1-OH 3.22Å; N391-Y840 HydrophobicContact CB-CD2 4.21Å; N391-Y840 HydrophobicContact CB-CE1 4.35Å; N391-Y840 HydrophobicContact CB-CE2 3.71Å; N391-Y840 WeakPolarHBondContact ND2-CE1 3.21Å; H392-Y840 AromaticContact NE2-CE2 3.62Å; H392-Y840 AromaticContact NE2-CZ 3.93Å; H392-Y840 PolarHBondContact NE2-OH 3.41Å; R828-Y840 PolarHBondContact NH1-O 3.15Å; R828-Y840 PolarHBondContact NH2-O 3.37Å; F836-Y840 AromaticContact CD1-CD1 3.62Å; F836-Y840 HydrophobicContact CD1-CD1 3.62Å; F836-Y840 HydrophobicContact CD1-CD2 4.27Å; F836-Y840 HydrophobicContact CD1-CE1 4.14Å; F836-Y840 AromaticContact CD1-CG 3.7Å; F836-Y840 HydrophobicContact CD1-CG 3.7Å; F836-Y840 AromaticContact CE1-CD1 3.8Å; F836-Y840 HydrophobicContact CE1-CD1 3.8Å; F836-Y840 AromaticContact CE1-CE1 3.85Å; F836-Y840 HydrophobicContact CE1-CE1 3.85Å; F836-Y840 HydrophobicContact CE1-CG 4.24Å; P837-Y840 WeakPolarHBondContact O-CB 3.05Å; P837-Y840 PolarHBondContact O-N 3.06Å; D838-Y840 PolarHBondContact O-N 3.47Å; Y840-L842 HydrophobicContact CD1-CD2 4.4Å
841	R	98.3	Very high	98.2	Very high	46 Å²	46	22.1 Å²	22.1	17%	0.174	11%	0.114	C	C	.	.			trans	-91.1	139.5	-172.8	-167.7	170.1	178.1	165.1	-4.2	112.2	Y390 N391 D714 L719 Y839 F843	Y390-R841 HydrophobicContact CD1-CB 3.73Å; Y390-R841 HydrophobicContact CD1-CG 4.4Å; Y390-R841 HydrophobicContact CE1-CB 3.64Å; Y390-R841 VanDerWaalsContact CE1-CD 3.46Å; Y390-R841 HydrophobicContact CE1-CG 4.16Å; Y390-R841 PolarHBondContact OH-NH1 3.31Å; Y390-R841 VanDerWaalsContact OH-NH1 3.15Å; N391-R841 PolarHBondContact ND2-N 3.08Å; N391-R841 PolarHBondContact ND2-O 2.84Å; N391-R841 PolarHBondContact OD1-N 2.92Å; N391-R841 VanDerWaalsContact OD1-N 3.12Å; D714-R841 IonicContact OD1-NH1 2.92Å; D714-R841 PolarHBondContact OD1-NH1 3.4Å; D714-R841 WeakPolarHBondContact OD2-CD 3.45Å; D714-R841 IonicContact OD2-CZ 2.76Å; D714-R841 IonicContact OD2-NH1 2.86Å; D714-R841 PolarHBondContact OD2-NH1 3.18Å; L719-R841 HydrophobicContact CD1-CB 3.83Å; L719-R841 HydrophobicContact CD1-CG 4.1Å; Y839-R841 PolarHBondContact O-N 3.3Å; Y839-R841 VanDerWaalsContact O-N 3.15Å; R841-F843 HydrophobicContact CB-CE2 4.11Å; R841-F843 HydrophobicContact CG-CD2 4.3Å; R841-F843 HydrophobicContact CG-CE2 3.63Å; R841-F843 HydrophobicContact CG-CZ 4.07Å
842	L	98.7	Very high	98.2	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.016	12%	0.115	C	C	.	.			trans	-111.8	145.6	175.9	-57.9	171.6	0	0	0	111.3	C354 S387 D720 I827 Y840 K849 Q852 V853	C354-L842 HydrophobicContact CB-CD2 4.06Å; S387-L842 WeakPolarHBondContact OG-CA 3.28Å; D720-L842 PolarHBondContact OD2-N 3.34Å; D720-L842 VanDerWaalsContact OD2-N 3.1Å; I827-L842 HydrophobicContact CG2-CD1 3.6Å; Y840-L842 HydrophobicContact CD1-CD2 4.4Å; L842-K849 HydrophobicContact CB-CB 4.32Å; L842-K849 HydrophobicContact CB-CD 4.21Å; L842-K849 HydrophobicContact CB-CG 4.01Å; L842-K849 HydrophobicContact CD1-CB 4.48Å; L842-K849 VanDerWaalsContact O-CE 3.24Å; L842-K849 WeakPolarHBondContact O-CE 3.43Å; L842-Q852 HydrophobicContact CD2-CB 4.46Å; L842-V853 HydrophobicContact CD1-CG2 3.4Å
843	F	98.4	Very high	98.2	Very high	36 Å²	36	22.4 Å²	22.4	16%	0.158	12%	0.115	C	C	.	.			trans	-122	162.9	-179.8	-71.5	-98.2	0	0	0	111.9	Q386 S387 Y390 R841 Q852	Q386-F843 HydrophobicContact CB-CB 4.12Å; Q386-F843 HydrophobicContact CG-CB 3.77Å; Q386-F843 HydrophobicContact CG-CD1 4.16Å; Q386-F843 HydrophobicContact CG-CD2 4.4Å; Q386-F843 HydrophobicContact CG-CG 3.86Å; S387-F843 PolarHBondContact OG-N 3.37Å; Y390-F843 AromaticContact CD1-CE2 3.76Å; Y390-F843 HydrophobicContact CD1-CE2 3.76Å; Y390-F843 HydrophobicContact CD1-CZ 4.24Å; Y390-F843 AromaticContact CD2-CE2 3.68Å; Y390-F843 HydrophobicContact CD2-CE2 3.68Å; Y390-F843 AromaticContact CD2-CZ 3.47Å; Y390-F843 HydrophobicContact CD2-CZ 3.47Å; Y390-F843 VanDerWaalsContact CD2-CZ 3.47Å; Y390-F843 HydrophobicContact CE1-CE2 4.36Å; Y390-F843 HydrophobicContact CE2-CE2 4.29Å; Y390-F843 AromaticContact CE2-CZ 3.8Å; Y390-F843 HydrophobicContact CE2-CZ 3.8Å; Y390-F843 HydrophobicContact CG-CD2 4.47Å; Y390-F843 AromaticContact CG-CE2 3.36Å; Y390-F843 HydrophobicContact CG-CE2 3.36Å; Y390-F843 AromaticContact CG-CZ 3.7Å; Y390-F843 HydrophobicContact CG-CZ 3.7Å; R841-F843 HydrophobicContact CB-CE2 4.11Å; R841-F843 HydrophobicContact CG-CD2 4.3Å; R841-F843 HydrophobicContact CG-CE2 3.63Å; R841-F843 HydrophobicContact CG-CZ 4.07Å; F843-Q852 PolarHBondContact O-NE2 2.88Å
844	G	97.9	Very high	98.1	Very high	25 Å²	25	22.6 Å²	22.6	26%	0.258	12%	0.117	S	C	.	.	S	Bend	trans	96.1	179.3	-179.1	0	0	0	0	0	114.7	K849	G844-K849 WeakPolarHBondContact O-CE 3.24Å
845	P	98.1	Very high	98.1	Very high	71 Å²	71	27.4 Å²	27.4	46%	0.461	14%	0.142	S	C	.	.			trans	-55.5	152.5	176.5	-24.3	33	0	0	0	112.4	F383 K847 E848 K849	F383-P845 HydrophobicContact CE2-CG 4.3Å; F383-P845 VanDerWaalsContact CZ-CD 3.49Å; F383-P845 HydrophobicContact CZ-CG 4.1Å; P845-K847 PolarHBondContact O-N 2.74Å; P845-K847 VanDerWaalsContact O-N 3.09Å; P845-E848 HydrophobicContact CB-CG 4.35Å; P845-E848 HydrophobicContact CG-CG 4.24Å; P845-E848 WeakPolarHBondContact O-CA 3.29Å; P845-E848 WeakPolarHBondContact O-CB 3.47Å; P845-E848 PolarHBondContact O-N 3.27Å; P845-K849 PolarHBondContact O-N 3.35Å
846	I	98.1	Very high	98.1	Very high	45 Å²	45	27.9 Å²	27.9	23%	0.231	15%	0.147	C	C	.	.	H	α-helix	trans	-48.4	-44.2	-179.5	-66.9	-66.8	0	0	0	112.7	Q722 L724 I827 E848 K849 Y850	Q722-I846 HydrophobicContact CB-CD1 3.68Å; Q722-I846 HydrophobicContact CG-CD1 4.33Å; Q722-I846 VanDerWaalsContact OE1-CD1 3.28Å; L724-I846 HydrophobicContact CD1-CG2 4.31Å; I827-I846 HydrophobicContact CD1-CB 4.42Å; I827-I846 HydrophobicContact CD1-CD1 3.57Å; I827-I846 HydrophobicContact CD1-CG2 4.04Å; I846-E848 PolarHBondContact O-N 3.35Å; I846-K849 PolarHBondContact O-N 2.75Å; I846-Y850 HydrophobicContact CG2-CD2 3.93Å; I846-Y850 HydrophobicContact CG2-CE2 3.62Å; I846-Y850 WeakPolarHBondContact O-CD2 3.46Å; I846-Y850 PolarHBondContact O-N 3.19Å; I846-Y850 VanDerWaalsContact O-N 3.11Å
847	K	98.1	Very high	98.1	Very high	117 Å²	117	28.2 Å²	28.2	51%	0.509	15%	0.149	S	C	.	.	H	α-helix	trans	-62.5	-40.3	177.6	-72.1	-170	166.8	-157.2	0	112.9	L724 E810 P845 Y850 I851	L724-K847 HydrophobicContact CD1-CG 3.93Å; E810-K847 WeakPolarHBondContact OE1-CE 3.48Å; E810-K847 IonicContact OE1-NZ 3.6Å; E810-K847 PolarHBondContact OE1-NZ 3.45Å; P845-K847 PolarHBondContact O-N 2.74Å; P845-K847 VanDerWaalsContact O-N 3.09Å; K847-Y850 PolarHBondContact O-N 2.75Å; K847-I851 WeakPolarHBondContact O-CG1 3.48Å; K847-I851 PolarHBondContact O-N 3.01Å
848	E	98.3	Very high	98.1	Very high	47 Å²	47	28.3 Å²	28.3	22%	0.22	15%	0.15	C	C	.	.	H	α-helix	trans	-68.5	-37.5	177.3	-66.9	-64	141.1	0	0	111.7	N381 F383 P845 I846 Y850 I851 Q852	N381-E848 PolarHBondContact ND2-OE2 2.85Å; F383-E848 HydrophobicContact CB-CB 4.38Å; F383-E848 HydrophobicContact CD2-CB 3.95Å; F383-E848 HydrophobicContact CD2-CG 3.58Å; F383-E848 HydrophobicContact CE2-CG 3.9Å; F383-E848 HydrophobicContact CG-CB 4.35Å; F383-E848 HydrophobicContact CG-CG 4.44Å; P845-E848 HydrophobicContact CB-CG 4.35Å; P845-E848 HydrophobicContact CG-CG 4.24Å; P845-E848 WeakPolarHBondContact O-CA 3.29Å; P845-E848 WeakPolarHBondContact O-CB 3.47Å; P845-E848 PolarHBondContact O-N 3.27Å; I846-E848 PolarHBondContact O-N 3.35Å; E848-Y850 VanDerWaalsContact C-N 3.33Å; E848-Y850 PolarHBondContact O-N 3.32Å; E848-I851 PolarHBondContact O-N 3.35Å; E848-Q852 VanDerWaalsContact O-CG 3.3Å; E848-Q852 WeakPolarHBondContact O-CG 3.3Å; E848-Q852 PolarHBondContact O-N 3.14Å; E848-Q852 PolarHBondContact O-NE2 2.96Å
849	K	98.7	Very high	98.2	Very high	3 Å²	3	28.2 Å²	28.2	1%	0.013	15%	0.149	C	C	.	.	H	α-helix	trans	-61.8	-39.7	173.1	-64.6	-176.1	-180	-174.2	0	111.5	D679 D720 I827 L842 G844 P845 I846 V853	D679-K849 VanDerWaalsContact CG-NZ 3.32Å; D679-K849 IonicContact OD1-NZ 3.59Å; D679-K849 PolarHBondContact OD1-NZ 3.09Å; D679-K849 IonicContact OD2-NZ 3.66Å; D679-K849 PolarHBondContact OD2-NZ 3.32Å; D720-K849 WeakPolarHBondContact OD1-CE 3.39Å; D720-K849 IonicContact OD1-NZ 3.4Å; D720-K849 PolarHBondContact OD1-NZ 2.77Å; I827-K849 HydrophobicContact CD1-CB 3.6Å; I827-K849 HydrophobicContact CD1-CD 3.73Å; I827-K849 HydrophobicContact CD1-CG 4.27Å; I827-K849 HydrophobicContact CG1-CB 4.08Å; I827-K849 HydrophobicContact CG2-CB 3.93Å; L842-K849 HydrophobicContact CB-CB 4.32Å; L842-K849 HydrophobicContact CB-CD 4.21Å; L842-K849 HydrophobicContact CB-CG 4.01Å; L842-K849 HydrophobicContact CD1-CB 4.48Å; L842-K849 VanDerWaalsContact O-CE 3.24Å; L842-K849 WeakPolarHBondContact O-CE 3.43Å; G844-K849 WeakPolarHBondContact O-CE 3.24Å; P845-K849 PolarHBondContact O-N 3.35Å; I846-K849 PolarHBondContact O-N 2.75Å; K849-V853 WeakPolarHBondContact O-CG2 3.24Å; K849-V853 PolarHBondContact O-N 3.46Å
850	Y	98.6	Very high	98.2	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.008	15%	0.15	C	C	.	.	H	α-helix	trans	-64.8	-41.8	171.8	-78.7	-70.6	0	0	0	112.9	P723 L724 T807 A809 L825 I827 I846 K847 E848 Q852 V853 G854	P723-Y850 WeakPolarHBondContact CA-OH 3.18Å; L724-Y850 HydrophobicContact CB-CE2 3.88Å; L724-Y850 PolarHBondContact N-OH 3.47Å; T807-Y850 CarbonylContact O-C 3.14Å; T807-Y850 WeakPolarHBondContact O-CB 3.21Å; A809-Y850 HydrophobicContact CB-CD1 3.79Å; A809-Y850 HydrophobicContact CB-CD2 3.76Å; A809-Y850 HydrophobicContact CB-CE1 3.62Å; A809-Y850 HydrophobicContact CB-CE2 3.61Å; A809-Y850 HydrophobicContact CB-CG 3.86Å; L825-Y850 PolarHBondContact O-OH 3.5Å; I827-Y850 HydrophobicContact CD1-CE2 4.36Å; I827-Y850 HydrophobicContact CG1-CD1 4.12Å; I827-Y850 HydrophobicContact CG1-CD2 3.85Å; I827-Y850 HydrophobicContact CG1-CE1 3.96Å; I827-Y850 HydrophobicContact CG1-CE2 3.64Å; I827-Y850 HydrophobicContact CG1-CG 4.08Å; I846-Y850 HydrophobicContact CG2-CD2 3.93Å; I846-Y850 HydrophobicContact CG2-CE2 3.62Å; I846-Y850 WeakPolarHBondContact O-CD2 3.46Å; I846-Y850 PolarHBondContact O-N 3.19Å; I846-Y850 VanDerWaalsContact O-N 3.11Å; K847-Y850 PolarHBondContact O-N 2.75Å; E848-Y850 VanDerWaalsContact C-N 3.33Å; E848-Y850 PolarHBondContact O-N 3.32Å; Y850-Q852 VanDerWaalsContact C-N 3.33Å; Y850-Q852 PolarHBondContact O-N 3.29Å; Y850-V853 PolarHBondContact O-N 2.65Å; Y850-G854 PolarHBondContact O-N 3.29Å
851	I	98.3	Very high	98.2	Very high	50 Å²	50	28.3 Å²	28.3	26%	0.256	15%	0.151	S	C	.	.	H	α-helix	trans	-58.7	-47	176.9	-70	164.5	0	0	0	110.5	T807 K847 E848 V853 G854 N855	T807-I851 HydrophobicContact CG2-CG2 4.36Å; T807-I851 PolarHBondContact O-N 3.34Å; K847-I851 WeakPolarHBondContact O-CG1 3.48Å; K847-I851 PolarHBondContact O-N 3.01Å; E848-I851 PolarHBondContact O-N 3.35Å; I851-V853 PolarHBondContact O-N 3.1Å; I851-G854 PolarHBondContact O-N 3.05Å; I851-N855 WeakPolarHBondContact CG2-ND2 3.3Å; I851-N855 WeakPolarHBondContact O-CB 3.25Å; I851-N855 PolarHBondContact O-N 3.32Å
852	Q	98.7	Very high	98.2	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.028	14%	0.143	C	C	.	.	H	α-helix	trans	-55	-49.8	177	-74.5	169.2	66	0	0	111.9	C354 A384 S387 L842 F843 E848 Y850 A856	C354-Q852 HydrophobicContact CB-CB 3.92Å; C354-Q852 HydrophobicContact CB-CG 4.09Å; A384-Q852 HydrophobicContact CB-CG 4.16Å; S387-Q852 VanDerWaalsContact CB-OE1 3.27Å; S387-Q852 PolarHBondContact OG-OE1 3.07Å; L842-Q852 HydrophobicContact CD2-CB 4.46Å; F843-Q852 PolarHBondContact O-NE2 2.88Å; E848-Q852 VanDerWaalsContact O-CG 3.3Å; E848-Q852 WeakPolarHBondContact O-CG 3.3Å; E848-Q852 PolarHBondContact O-N 3.14Å; E848-Q852 PolarHBondContact O-NE2 2.96Å; Y850-Q852 VanDerWaalsContact C-N 3.33Å; Y850-Q852 PolarHBondContact O-N 3.29Å; Q852-A856 WeakPolarHBondContact O-CB 3.46Å; Q852-A856 PolarHBondContact O-N 2.92Å
853	V	98.5	Very high	98.2	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	14%	0.144	C	C	.	.	H	α-helix	trans	-66.8	-40.5	179.4	174.4	0	0	0	0	112.7	V805 I827 N830 A831 Q834 L842 K849 Y850 I851	V805-V853 HydrophobicContact CG1-CG1 4.25Å; I827-V853 HydrophobicContact CG2-CG2 4.31Å; N830-V853 HydrophobicContact CB-CG1 3.91Å; N830-V853 WeakPolarHBondContact O-CG1 3.39Å; A831-V853 HydrophobicContact CB-CG1 4.41Å; A831-V853 HydrophobicContact CB-CG2 4.02Å; Q834-V853 HydrophobicContact CB-CG1 4.2Å; Q834-V853 PolarHBondContact NE2-O 2.69Å; L842-V853 HydrophobicContact CD1-CG2 3.4Å; K849-V853 WeakPolarHBondContact O-CG2 3.24Å; K849-V853 PolarHBondContact O-N 3.46Å; Y850-V853 PolarHBondContact O-N 2.65Å; I851-V853 PolarHBondContact O-N 3.1Å
854	G	96.9	Very high	98.2	Very high	3 Å²	3	24.7 Å²	24.7	3%	0.031	14%	0.136	C	C	.	.	H	α-helix	trans	-71	-32.7	-177.9	0	0	0	0	0	113.8	R607 Y850 I851	R607-G854 PolarHBondContact NH1-O 3.21Å; R607-G854 PolarHBondContact NH2-O 2.91Å; Y850-G854 PolarHBondContact O-N 3.29Å; I851-G854 PolarHBondContact O-N 3.05Å
855	N	97.2	Very high	98.2	Very high	101 Å²	101	23.5 Å²	23.5	54%	0.54	12%	0.124	S	C	.	.	H	α-helix	trans	-78.5	-30.6	177.2	-77.6	-17.7	0	0	0	112.8	T807 I851	T807-N855 WeakPolarHBondContact CG2-OD1 3.38Å; I851-N855 WeakPolarHBondContact CG2-ND2 3.3Å; I851-N855 WeakPolarHBondContact O-CB 3.25Å; I851-N855 PolarHBondContact O-N 3.32Å
856	A	98.2	Very high	98.2	Very high	11 Å²	11	20.1 Å²	20.1	9%	0.091	10%	0.102	C	C	.	.	S	Bend	trans	-56.9	147.5	-176.2	0	0	0	0	0	113.7	R607 Q834 F836 Q852	R607-A856 PolarHBondContact NH2-O 3.45Å; Q834-A856 HydrophobicContact CG-CB 4.31Å; F836-A856 HydrophobicContact CE2-CB 3.65Å; F836-A856 HydrophobicContact CZ-CB 3.54Å; Q852-A856 WeakPolarHBondContact O-CB 3.46Å; Q852-A856 PolarHBondContact O-N 2.92Å
857	V	98.2	Very high	98.2	Very high	9 Å²	9	19 Å²	19	6%	0.055	10%	0.095	C	C	.	.	P	Polyproline II helix	trans	-68.9	140.5	161.1	-179.8	0	0	0	0	108.4	M357 E563 F611 V859 A862	M357-V857 HydrophobicContact CB-CB 3.97Å; M357-V857 HydrophobicContact CB-CG2 3.94Å; M357-V857 HydrophobicContact CG-CG2 4.4Å; M357-V857 HydrophobicContact SD-CG2 4.18Å; E563-V857 HydrophobicContact CB-CG2 4.21Å; E563-V857 HydrophobicContact CG-CG2 3.63Å; F611-V857 HydrophobicContact CE1-CG1 4.05Å; F611-V857 HydrophobicContact CZ-CG1 4.02Å; V857-V859 PolarHBondContact O-N 2.93Å; V857-A862 HydrophobicContact CG1-CB 4.28Å
858	A	98.4	Very high	98.2	Very high	3 Å²	3	13.6 Å²	13.6	3%	0.025	7%	0.072	C	C	.	.	P	Polyproline II helix	trans	-58.3	121.1	175.2	0	0	0	0	0	110.9	A598 L603 Q834 V861 A862	A598-A858 HydrophobicContact CB-CB 3.84Å; L603-A858 HydrophobicContact CD1-CB 3.61Å; Q834-A858 WeakPolarHBondContact O-CA 3.49Å; A858-V861 HydrophobicContact CB-CB 4.26Å; A858-V861 HydrophobicContact CB-CG2 3.82Å; A858-V861 WeakPolarHBondContact O-CB 3.44Å; A858-V861 PolarHBondContact O-N 2.92Å; A858-A862 PolarHBondContact O-N 2.91Å; A858-A862 VanDerWaalsContact O-N 3.09Å
859	V	98.4	Very high	98.2	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-57.4	-41.3	-173.8	178.5	0	0	0	0	112.4	L363 Q834 G835 F836 V857 V861 A862 R863	L363-V859 HydrophobicContact CD1-CG1 4.39Å; Q834-V859 PolarHBondContact O-N 3.24Å; Q834-V859 VanDerWaalsContact O-N 3.11Å; G835-V859 WeakPolarHBondContact O-CB 3.44Å; F836-V859 HydrophobicContact CD1-CG2 3.86Å; F836-V859 HydrophobicContact CE1-CG2 4.01Å; F836-V859 HydrophobicContact CG-CG2 4.12Å; F836-V859 HydrophobicContact CZ-CG2 4.39Å; V857-V859 PolarHBondContact O-N 2.93Å; V859-V861 VanDerWaalsContact C-N 3.32Å; V859-V861 PolarHBondContact O-N 3.28Å; V859-A862 PolarHBondContact O-N 2.89Å; V859-R863 VanDerWaalsContact O-CB 3.29Å; V859-R863 WeakPolarHBondContact O-CB 3.36Å; V859-R863 PolarHBondContact O-N 3.2Å
860	P	97.7	Very high	98.1	Very high	10 Å²	10	11.2 Å²	11.2	7%	0.065	6%	0.061	C	C	.	.	H	α-helix	trans	-61.8	-32.9	174.5	-26.7	36.4	0	0	0	114.7	Y601 L603 R863 A864	Y601-P860 WeakPolarHBondContact O-CB 3.38Å; L603-P860 HydrophobicContact CD1-CG 4.08Å; L603-P860 HydrophobicContact CD2-CG 4.04Å; L603-P860 HydrophobicContact CG-CG 4.09Å; P860-R863 PolarHBondContact O-N 3.33Å; P860-A864 WeakPolarHBondContact O-CB 3.49Å; P860-A864 PolarHBondContact O-N 3.49Å
861	V	98.3	Very high	98	Very high	5 Å²	5	12.2 Å²	12.2	3%	0.03	7%	0.066	C	C	.	.	H	α-helix	trans	-67.8	-49.5	174.9	177.5	0	0	0	0	109.5	M596 A598 Y601 F611 A858 V859 R863 A864 L865	M596-V861 HydrophobicContact CB-CG1 4.41Å; M596-V861 HydrophobicContact CE-CG1 3.96Å; M596-V861 HydrophobicContact SD-CG1 4.19Å; A598-V861 HydrophobicContact CB-CG2 3.95Å; Y601-V861 HydrophobicContact CD2-CG2 3.79Å; Y601-V861 HydrophobicContact CG-CG2 4.26Å; F611-V861 HydrophobicContact CE1-CG1 4.3Å; F611-V861 HydrophobicContact CE2-CG1 3.83Å; F611-V861 HydrophobicContact CZ-CG1 3.54Å; A858-V861 HydrophobicContact CB-CB 4.26Å; A858-V861 HydrophobicContact CB-CG2 3.82Å; A858-V861 WeakPolarHBondContact O-CB 3.44Å; A858-V861 PolarHBondContact O-N 2.92Å; V859-V861 VanDerWaalsContact C-N 3.32Å; V859-V861 PolarHBondContact O-N 3.28Å; V861-R863 VanDerWaalsContact C-N 3.27Å; V861-R863 PolarHBondContact O-N 3.24Å; V861-A864 WeakPolarHBondContact O-CB 3.38Å; V861-A864 PolarHBondContact O-N 3.33Å; V861-A864 VanDerWaalsContact O-N 3.17Å; V861-L865 HydrophobicContact CG1-CD1 4.1Å; V861-L865 WeakPolarHBondContact O-CG 3.2Å; V861-L865 PolarHBondContact O-N 2.9Å
862	A	98.7	Very high	97.9	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-61.9	-35	176.5	0	0	0	0	0	112.2	M357 G360 L361 V857 A858 V859 L865 G866	M357-A862 HydrophobicContact CG-CB 4.46Å; M357-A862 WeakPolarHBondContact O-CB 3.31Å; G360-A862 CarbonylContact C-O 3.44Å; L361-A862 PolarHBondContact N-O 2.88Å; V857-A862 HydrophobicContact CG1-CB 4.28Å; A858-A862 PolarHBondContact O-N 2.91Å; A858-A862 VanDerWaalsContact O-N 3.09Å; V859-A862 PolarHBondContact O-N 2.89Å; A862-L865 PolarHBondContact O-N 3.04Å; A862-G866 PolarHBondContact O-N 3.12Å
863	R	98.3	Very high	97.9	Very high	9 Å²	9	11 Å²	11	3%	0.034	6%	0.058	C	C	.	.	H	α-helix	trans	-65.9	-40.6	173	-172.2	-179	173	-98.9	7.5	112.9	G360 L363 G364 L367 V859 P860 V861 G866 Y867 F890	G360-R863 WeakPolarHBondContact O-CA 3.18Å; G360-R863 PolarHBondContact O-N 3.2Å; L363-R863 HydrophobicContact CB-CG 4.24Å; G364-R863 WeakPolarHBondContact CA-O 3.18Å; L367-R863 HydrophobicContact CD1-CG 4.41Å; V859-R863 VanDerWaalsContact O-CB 3.29Å; V859-R863 WeakPolarHBondContact O-CB 3.36Å; V859-R863 PolarHBondContact O-N 3.2Å; P860-R863 PolarHBondContact O-N 3.33Å; V861-R863 VanDerWaalsContact C-N 3.27Å; V861-R863 PolarHBondContact O-N 3.24Å; R863-G866 PolarHBondContact O-N 3.04Å; R863-Y867 PolarHBondContact O-N 3.23Å; R863-F890 HydrophobicContact CB-CZ 4.29Å; R863-F890 HydrophobicContact CG-CE2 3.97Å; R863-F890 HydrophobicContact CG-CZ 3.85Å; R863-F890 PolarHBondContact NH1-O 3.28Å; R863-F890 PolarHBondContact NH2-O 3.32Å
864	A	98.2	Very high	97.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-65.3	-43.9	175.4	0	0	0	0	0	111.1	Y601 P625 P860 V861 G866 Y867 C868 L886 F890	Y601-A864 HydrophobicContact CD1-CB 3.76Å; Y601-A864 HydrophobicContact CE1-CB 3.95Å; P625-A864 HydrophobicContact CB-CB 3.99Å; P625-A864 HydrophobicContact CG-CB 3.55Å; P860-A864 WeakPolarHBondContact O-CB 3.49Å; P860-A864 PolarHBondContact O-N 3.49Å; V861-A864 WeakPolarHBondContact O-CB 3.38Å; V861-A864 PolarHBondContact O-N 3.33Å; V861-A864 VanDerWaalsContact O-N 3.17Å; A864-G866 VanDerWaalsContact C-N 3.35Å; A864-Y867 PolarHBondContact O-N 3.39Å; A864-C868 PolarHBondContact O-N 3.19Å; A864-L886 HydrophobicContact CB-CD1 3.93Å; A864-F890 HydrophobicContact CB-CE1 4.42Å; A864-F890 HydrophobicContact CB-CZ 3.95Å
865	L	98.7	Very high	97.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.8	-40.1	173.5	-73.4	167.2	0	0	0	112.2	L361 L561 M596 F611 W613 Y624 V861 A862 Y867 C868 L869	L361-L865 HydrophobicContact CD2-CB 4.08Å; L561-L865 HydrophobicContact CD2-CD1 4.26Å; M596-L865 HydrophobicContact CE-CD2 4.22Å; M596-L865 HydrophobicContact CE-CG 4.12Å; M596-L865 HydrophobicContact SD-CD1 4Å; M596-L865 HydrophobicContact SD-CD2 3.69Å; M596-L865 HydrophobicContact SD-CG 3.93Å; F611-L865 HydrophobicContact CD1-CD1 3.4Å; F611-L865 HydrophobicContact CD2-CD1 4.43Å; F611-L865 HydrophobicContact CE1-CD1 3.52Å; F611-L865 HydrophobicContact CG-CD1 3.88Å; F611-L865 HydrophobicContact CZ-CD1 4.13Å; W613-L865 HydrophobicContact CZ2-CB 3.99Å; W613-L865 HydrophobicContact CZ2-CD2 3.76Å; W613-L865 HydrophobicContact CZ2-CG 4.45Å; Y624-L865 HydrophobicContact CD1-CD2 4.05Å; Y624-L865 HydrophobicContact CE1-CD2 4.32Å; V861-L865 HydrophobicContact CG1-CD1 4.1Å; V861-L865 WeakPolarHBondContact O-CG 3.2Å; V861-L865 PolarHBondContact O-N 2.9Å; A862-L865 PolarHBondContact O-N 3.04Å; L865-Y867 VanDerWaalsContact C-N 3.3Å; L865-Y867 PolarHBondContact O-N 2.85Å; L865-C868 PolarHBondContact O-N 3.49Å; L865-L869 WeakPolarHBondContact O-CB 3.35Å; L865-L869 PolarHBondContact O-N 2.72Å
866	G	98.4	Very high	97	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.7	-37.6	177.1	0	0	0	0	0	112.6	L361 G364 A365 A862 R863 A864 L869 G870	L361-G866 WeakPolarHBondContact O-CA 3.21Å; G364-G866 VanDerWaalsContact C-C 3.41Å; A365-G866 WeakPolarHBondContact CA-O 2.94Å; A365-G866 PolarHBondContact N-O 3.47Å; A862-G866 PolarHBondContact O-N 3.12Å; R863-G866 PolarHBondContact O-N 3.04Å; A864-G866 VanDerWaalsContact C-N 3.35Å; G866-L869 PolarHBondContact O-N 2.76Å; G866-G870 PolarHBondContact O-N 3.34Å
867	Y	97.6	Very high	96.2	Very high	22 Å²	22	15.7 Å²	15.7	9%	0.086	9%	0.091	C	C	.	.	H	α-helix	trans	-63.6	-48.2	173.7	-174.2	-84.1	0	0	0	111.4	G364 L367 S368 R863 A864 L865 L869 G870 Q871 Y884 L886 P887 F890	G364-Y867 WeakPolarHBondContact O-CA 3.29Å; L367-Y867 HydrophobicContact CB-CD2 3.81Å; L367-Y867 HydrophobicContact CB-CE2 4.18Å; S368-Y867 VanDerWaalsContact OG-CA 3.31Å; S368-Y867 WeakPolarHBondContact OG-CA 3.47Å; S368-Y867 WeakPolarHBondContact OG-CD2 3.46Å; S368-Y867 WeakPolarHBondContact OG-CE2 3.3Å; S368-Y867 PolarHBondContact OG-O 3.12Å; R863-Y867 PolarHBondContact O-N 3.23Å; A864-Y867 PolarHBondContact O-N 3.39Å; L865-Y867 VanDerWaalsContact C-N 3.3Å; L865-Y867 PolarHBondContact O-N 2.85Å; Y867-L869 VanDerWaalsContact C-N 3.3Å; Y867-L869 PolarHBondContact O-N 2.97Å; Y867-G870 PolarHBondContact O-N 3.15Å; Y867-Q871 HydrophobicContact CD1-CG 4.01Å; Y867-Q871 HydrophobicContact CE1-CG 3.59Å; Y867-Q871 WeakPolarHBondContact O-CG 3.38Å; Y867-Q871 PolarHBondContact O-N 2.66Å; Y867-Y884 AromaticContact CD1-CE1 3.94Å; Y867-Y884 HydrophobicContact CD1-CE1 3.94Å; Y867-Y884 HydrophobicContact CE1-CD1 4.47Å; Y867-Y884 AromaticContact CE1-CE1 3.49Å; Y867-Y884 HydrophobicContact CE1-CE1 3.49Å; Y867-Y884 VanDerWaalsContact CE1-CE1 3.49Å; Y867-Y884 AromaticContact CE1-CZ 3.9Å; Y867-L886 HydrophobicContact CD1-CD2 3.6Å; Y867-L886 HydrophobicContact CE1-CD2 4.3Å; Y867-L886 HydrophobicContact CG-CD2 3.94Å; Y867-P887 HydrophobicContact CE1-CG 4.45Å; Y867-P887 HydrophobicContact CE2-CG 4.27Å; Y867-P887 WeakPolarHBondContact OH-CG 3.35Å; Y867-F890 HydrophobicContact CD2-CD2 4.01Å; Y867-F890 HydrophobicContact CG-CD2 4.18Å; Y867-F890 HydrophobicContact CG-CE2 4.42Å
868	C	98	Very high	95.2	Very high	4 Å²	4	20.4 Å²	20.4	3%	0.027	12%	0.116	C	C	.	.	H	α-helix	trans	-63.5	-36.4	177.2	-66.3	0	0	0	0	112.5	K623 A864 L865 A872	K623-C868 VanDerWaalsContact O-CB 3.25Å; K623-C868 WeakPolarHBondContact O-CB 3.48Å; A864-C868 PolarHBondContact O-N 3.19Å; L865-C868 PolarHBondContact O-N 3.49Å; C868-A872 WeakPolarHBondContact O-CB 3.33Å; C868-A872 PolarHBondContact O-N 3.18Å
869	L	98.3	Very high	94.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.7	-46.8	172.2	173.4	61.9	0	0	0	111.4	L372 V514 Y559 W613 P622 L865 G866 Y867 A872 Y873	L372-L869 HydrophobicContact CD2-CD2 3.92Å; V514-L869 HydrophobicContact CG1-CD2 4.02Å; V514-L869 HydrophobicContact CG2-CD1 4.47Å; V514-L869 HydrophobicContact CG2-CD2 4.18Å; Y559-L869 HydrophobicContact CD1-CD1 4.03Å; Y559-L869 HydrophobicContact CD2-CD1 3.69Å; Y559-L869 HydrophobicContact CE1-CD1 4.47Å; Y559-L869 HydrophobicContact CE2-CD1 4.15Å; Y559-L869 HydrophobicContact CG-CD1 3.6Å; W613-L869 HydrophobicContact CH2-CB 3.85Å; W613-L869 HydrophobicContact CH2-CD1 4.34Å; W613-L869 HydrophobicContact CH2-CD2 4.29Å; W613-L869 HydrophobicContact CH2-CG 4.38Å; W613-L869 HydrophobicContact CZ2-CB 4.47Å; W613-L869 HydrophobicContact CZ3-CB 4.49Å; W613-L869 HydrophobicContact CZ3-CD1 4.15Å; P622-L869 HydrophobicContact CG-CD1 4.25Å; L865-L869 WeakPolarHBondContact O-CB 3.35Å; L865-L869 PolarHBondContact O-N 2.72Å; G866-L869 PolarHBondContact O-N 2.76Å; Y867-L869 VanDerWaalsContact C-N 3.3Å; Y867-L869 PolarHBondContact O-N 2.97Å; L869-A872 PolarHBondContact O-N 3.32Å; L869-Y873 VanDerWaalsContact O-CB 3.3Å; L869-Y873 WeakPolarHBondContact O-CB 3.42Å; L869-Y873 PolarHBondContact O-N 3.49Å
870	G	97.3	Very high	93.6	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58	-50.1	177.9	0	0	0	0	0	112.3	G866 Y867 A872 Y873 L874	G866-G870 PolarHBondContact O-N 3.34Å; Y867-G870 PolarHBondContact O-N 3.15Å; G870-A872 VanDerWaalsContact C-N 3.34Å; G870-A872 PolarHBondContact O-N 3.48Å; G870-Y873 PolarHBondContact O-N 3.13Å; G870-L874 WeakPolarHBondContact O-CB 3.47Å; G870-L874 VanDerWaalsContact O-CG 3.28Å; G870-L874 WeakPolarHBondContact O-CG 3.32Å; G870-L874 PolarHBondContact O-N 3.2Å
871	Q	95.9	Very high	93.2	Very high	22 Å²	22	33.8 Å²	33.8	10%	0.103	21%	0.206	C	C	.	.	H	α-helix	trans	-58.4	-43.5	176.3	-68.9	-71.7	-79.8	0	0	112.6	Y867 G875 E876 S877	Y867-Q871 HydrophobicContact CD1-CG 4.01Å; Y867-Q871 HydrophobicContact CE1-CG 3.59Å; Y867-Q871 WeakPolarHBondContact O-CG 3.38Å; Y867-Q871 PolarHBondContact O-N 2.66Å; Q871-G875 PolarHBondContact O-N 3.43Å; Q871-E876 PolarHBondContact NE2-OE2 3.28Å; Q871-E876 PolarHBondContact O-N 2.86Å; Q871-S877 PolarHBondContact O-N 3.19Å
872	A	96.8	Very high	93	Very high	2 Å²	2	34.5 Å²	34.5	2%	0.017	21%	0.211	C	C	.	.	H	α-helix	trans	-67	-42.4	177.7	0	0	0	0	0	112.4	Y559 V620 P622 C868 L869 G870 L874 G875	Y559-A872 VanDerWaalsContact OH-C 3.31Å; Y559-A872 PolarHBondContact OH-O 3.2Å; V620-A872 HydrophobicContact CB-CB 4.42Å; V620-A872 HydrophobicContact CG1-CB 4.5Å; P622-A872 HydrophobicContact CB-CB 4.04Å; P622-A872 HydrophobicContact CG-CB 3.92Å; C868-A872 WeakPolarHBondContact O-CB 3.33Å; C868-A872 PolarHBondContact O-N 3.18Å; L869-A872 PolarHBondContact O-N 3.32Å; G870-A872 VanDerWaalsContact C-N 3.34Å; G870-A872 PolarHBondContact O-N 3.48Å; A872-L874 VanDerWaalsContact C-N 3.34Å; A872-L874 PolarHBondContact O-N 3.15Å; A872-G875 PolarHBondContact O-N 3.42Å
873	Y	97.1	Very high	92.8	Very high	28 Å²	28	36.2 Å²	36.2	11%	0.11	22%	0.22	C	C	.	.	H	α-helix	trans	-64	-39.1	179.2	-167.8	-74.8	0	0	0	112	A345 L370 D513 K558 Y559 M619 L869 G870 G875	A345-Y873 HydrophobicContact CB-CD2 4.42Å; A345-Y873 HydrophobicContact CB-CE1 4.3Å; A345-Y873 HydrophobicContact CB-CE2 3.82Å; L370-Y873 HydrophobicContact CD1-CD1 3.56Å; L370-Y873 HydrophobicContact CD1-CE1 3.91Å; L370-Y873 HydrophobicContact CD1-CG 4.12Å; L370-Y873 HydrophobicContact CD2-CD1 4.17Å; L370-Y873 HydrophobicContact CD2-CD2 4.3Å; L370-Y873 HydrophobicContact CD2-CG 3.86Å; D513-Y873 HydrophobicContact CB-CE2 4.04Å; D513-Y873 PolarHBondContact OD1-OH 2.9Å; K558-Y873 HydrophobicContact CD-CE2 4.08Å; K558-Y873 PolarHBondContact NZ-OH 2.91Å; Y559-Y873 AromaticContact CD2-CD2 3.83Å; Y559-Y873 HydrophobicContact CD2-CD2 3.83Å; Y559-Y873 HydrophobicContact CD2-CE2 4.45Å; Y559-Y873 AromaticContact CE2-CD2 3.52Å; Y559-Y873 HydrophobicContact CE2-CD2 3.52Å; Y559-Y873 HydrophobicContact CE2-CE2 4.35Å; Y559-Y873 HydrophobicContact CE2-CG 4.16Å; Y559-Y873 PolarHBondContact OH-N 3.24Å; M619-Y873 HydrophobicContact CE-CD2 4.37Å; L869-Y873 VanDerWaalsContact O-CB 3.3Å; L869-Y873 WeakPolarHBondContact O-CB 3.42Å; L869-Y873 PolarHBondContact O-N 3.49Å; G870-Y873 PolarHBondContact O-N 3.13Å; Y873-G875 VanDerWaalsContact C-N 3.26Å; Y873-G875 PolarHBondContact O-N 2.99Å
874	L	95.7	Very high	92.7	Very high	29 Å²	29	37.9 Å²	37.9	15%	0.152	23%	0.227	C	C	.	.	H	α-helix	trans	-75.6	-15.9	178.7	-65	175.5	0	0	0	112.9	R343 S368 L370 G870 A872 E876	R343-L874 HydrophobicContact CB-CD2 4.04Å; R343-L874 HydrophobicContact CG-CD2 4.3Å; S368-L874 WeakPolarHBondContact O-CD1 3.49Å; L370-L874 HydrophobicContact CB-CD1 4.44Å; L370-L874 HydrophobicContact CB-CG 4.48Å; L370-L874 HydrophobicContact CD1-CD2 4.27Å; G870-L874 WeakPolarHBondContact O-CB 3.47Å; G870-L874 VanDerWaalsContact O-CG 3.28Å; G870-L874 WeakPolarHBondContact O-CG 3.32Å; G870-L874 PolarHBondContact O-N 3.2Å; A872-L874 VanDerWaalsContact C-N 3.34Å; A872-L874 PolarHBondContact O-N 3.15Å; L874-E876 HydrophobicContact CB-CG 4.01Å
875	G	91.9	Very high	92.5	Very high	51 Å²	51	44 Å²	44	53%	0.526	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	17.4	-175.8	0	0	0	0	0	113.5	Q871 A872 Y873	Q871-G875 PolarHBondContact O-N 3.43Å; A872-G875 PolarHBondContact O-N 3.42Å; Y873-G875 VanDerWaalsContact C-N 3.26Å; Y873-G875 PolarHBondContact O-N 2.99Å
876	E	87.1	Confident	92.3	Very high	113 Å²	113	44.8 Å²	44.8	53%	0.528	26%	0.259	S	S	.	.			trans	-91.9	-3.7	-177.4	-64.8	176.7	-179.4	0	0	112.8	Q871 L874 D878	Q871-E876 PolarHBondContact NE2-OE2 3.28Å; Q871-E876 PolarHBondContact O-N 2.86Å; L874-E876 HydrophobicContact CB-CG 4.01Å; E876-D878 PolarHBondContact O-N 3Å
877	S	80.3	Confident	92	Very high	22 Å²	22	46.6 Å²	46.6	15%	0.154	27%	0.271	C	S	.	.			trans	-73	124.5	176.2	176.1	0	0	0	0	111.4	K623 Q871	K623-S877 WeakPolarHBondContact CE-OG 3.34Å; Q871-S877 PolarHBondContact O-N 3.19Å
878	D	79.3	Confident	91.3	Very high	108 Å²	108	49.3 Å²	49.3	58%	0.578	30%	0.298	S	S	*	.			trans	-91.2	131.6	-176.9	60.5	-16.2	0	0	0	113.8	K623 E876	K623-D878 VanDerWaalsContact CE-O 3.32Å; K623-D878 WeakPolarHBondContact CE-O 3.4Å; K623-D878 PolarHBondContact NZ-O 2.78Å; K623-D878 IonicContact NZ-OD1 3.28Å; K623-D878 PolarHBondContact NZ-OD1 3.43Å; E876-D878 PolarHBondContact O-N 3Å
879	G	79.7	Confident	90.4	Very high	70 Å²	70	52.6 Å²	52.6	72%	0.722	32%	0.321	S	S	*	.	S	Bend	trans	64.1	179.6	171.5	0	0	0	0	0	116.4
880	S	82.7	Confident	89.7	Confident	94 Å²	94	53.1 Å²	53.1	66%	0.657	32%	0.324	S	S	*	.	S	Bend	trans	-97.7	0.6	-170.9	56.9	0	0	0	0	114.9
881	Q	89.4	Confident	88.6	Confident	131 Å²	131	55.2 Å²	55.2	61%	0.612	34%	0.336	S	S	*	.			trans	-60.9	139.8	-176.4	-64.9	-60.7	-27.2	0	0	111.4	K623 L883	K623-Q881 WeakPolarHBondContact CD-O 3.3Å; K623-Q881 VanDerWaalsContact CE-O 3.28Å; K623-Q881 WeakPolarHBondContact CE-O 3.44Å; K623-Q881 WeakPolarHBondContact CG-O 3.04Å; Q881-L883 VanDerWaalsContact C-N 3.28Å; Q881-L883 PolarHBondContact O-N 2.94Å
882	P	93.1	Very high	86.9	Confident	20 Å²	20	56.4 Å²	56.4	13%	0.13	35%	0.347	C	S	.	.	S	Bend	trans	-74.4	-19.4	-176.1	28.1	-33.3	0	0	0	113.5	Y306 K623 Y624	Y306-P882 HydrophobicContact CD2-CB 3.35Å; Y306-P882 HydrophobicContact CD2-CG 3.45Å; Y306-P882 VanDerWaalsContact CD2-CG 3.45Å; Y306-P882 HydrophobicContact CE2-CB 3.85Å; Y306-P882 HydrophobicContact CE2-CG 3.58Å; Y306-P882 HydrophobicContact CG-CB 4.02Å; K623-P882 WeakPolarHBondContact CA-O 3.28Å; Y624-P882 PolarHBondContact N-O 3.3Å
883	L	95.8	Very high	85	Confident	36 Å²	36	57.9 Å²	57.9	19%	0.188	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	150.4	-173.8	-60.4	-178.2	0	0	0	112.1	Y306 Y624 L626 V646 Q881	Y306-L883 HydrophobicContact CE1-CD2 3.99Å; Y306-L883 HydrophobicContact CE2-CD1 4.36Å; Y306-L883 HydrophobicContact CE2-CD2 4.06Å; Y306-L883 HydrophobicContact CE2-CG 4.08Å; Y306-L883 VanDerWaalsContact OH-CD1 3.29Å; Y306-L883 WeakPolarHBondContact OH-CD1 3.38Å; Y306-L883 WeakPolarHBondContact OH-CD2 3.23Å; Y624-L883 CarbonylContact O-C 3.58Å; Y624-L883 VanDerWaalsContact O-CA 3.3Å; Y624-L883 WeakPolarHBondContact O-CA 3.49Å; L626-L883 HydrophobicContact CD1-CB 4.31Å; L626-L883 HydrophobicContact CD2-CB 4.28Å; L626-L883 HydrophobicContact CD2-CD1 3.67Å; L626-L883 HydrophobicContact CD2-CG 4.4Å; L626-L883 HydrophobicContact CG-CB 4.08Å; L626-L883 HydrophobicContact CG-CD1 4.4Å; V646-L883 HydrophobicContact CG1-CD2 4Å; Q881-L883 VanDerWaalsContact C-N 3.28Å; Q881-L883 PolarHBondContact O-N 2.94Å
884	Y	95.2	Very high	82.5	Confident	43 Å²	43	57.6 Å²	57.6	17%	0.169	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	130.9	178.9	-177.8	-96.4	0	0	0	111.4	K623 Y624 P625 L626 Y867 L886	K623-Y884 HydrophobicContact CD-CD2 4.27Å; Y624-Y884 PolarHBondContact O-N 3.43Å; P625-Y884 CarbonylContact C-O 3.56Å; P625-Y884 VanDerWaalsContact CA-O 3.3Å; P625-Y884 WeakPolarHBondContact CA-O 3.35Å; L626-Y884 PolarHBondContact N-O 3.02Å; Y867-Y884 AromaticContact CD1-CE1 3.94Å; Y867-Y884 HydrophobicContact CD1-CE1 3.94Å; Y867-Y884 HydrophobicContact CE1-CD1 4.47Å; Y867-Y884 AromaticContact CE1-CE1 3.49Å; Y867-Y884 HydrophobicContact CE1-CE1 3.49Å; Y867-Y884 VanDerWaalsContact CE1-CE1 3.49Å; Y867-Y884 AromaticContact CE1-CZ 3.9Å; Y884-L886 HydrophobicContact CD1-CD2 4.24Å; Y884-L886 HydrophobicContact CE1-CD2 4.29Å
885	Q	94.8	Very high	79.6	Confident	130 Å²	130	64.8 Å²	64.8	61%	0.607	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-86.9	117.1	174	-175.5	172.4	-7.1	0	0	110.1	L626	L626-Q885 HydrophobicContact CD1-CB 4.27Å
886	L	93.9	Very high	76.8	Confident	15 Å²	15	67.8 Å²	67.8	8%	0.079	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-62.8	142.1	177.9	-66.4	168.3	0	0	0	111.3	P625 T628 A864 Y867 Y884 F890	P625-L886 HydrophobicContact CB-CD1 3.84Å; P625-L886 HydrophobicContact CB-CD2 4.06Å; P625-L886 HydrophobicContact CB-CG 3.85Å; T628-L886 HydrophobicContact CG2-CB 4.45Å; T628-L886 HydrophobicContact CG2-CD1 4.02Å; A864-L886 HydrophobicContact CB-CD1 3.93Å; Y867-L886 HydrophobicContact CD1-CD2 3.6Å; Y867-L886 HydrophobicContact CE1-CD2 4.3Å; Y867-L886 HydrophobicContact CG-CD2 3.94Å; Y884-L886 HydrophobicContact CD1-CD2 4.24Å; Y884-L886 HydrophobicContact CE1-CD2 4.29Å; L886-F890 HydrophobicContact CB-CB 4.22Å; L886-F890 HydrophobicContact CB-CD1 4.37Å; L886-F890 HydrophobicContact CB-CG 4.26Å; L886-F890 HydrophobicContact CD1-CD1 3.69Å; L886-F890 HydrophobicContact CD1-CE1 3.67Å; L886-F890 HydrophobicContact CD1-CE2 4.49Å; L886-F890 HydrophobicContact CD1-CG 4.13Å; L886-F890 HydrophobicContact CD1-CZ 4.09Å; L886-F890 HydrophobicContact CD2-CD2 4.12Å; L886-F890 HydrophobicContact CD2-CE2 4.35Å; L886-F890 HydrophobicContact CD2-CG 4.28Å; L886-F890 HydrophobicContact CG-CD1 4.47Å; L886-F890 HydrophobicContact CG-CG 4.47Å
887	P	91.9	Very high	74.1	Confident	38 Å²	38	64 Å²	64	25%	0.247	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-69.4	158.5	178.8	30.4	-37.2	0	0	0	111.8	Y867 S889 F890	Y867-P887 HydrophobicContact CE1-CG 4.45Å; Y867-P887 HydrophobicContact CE2-CG 4.27Å; Y867-P887 WeakPolarHBondContact OH-CG 3.35Å; P887-S889 WeakPolarHBondContact CG-OG 3.1Å; P887-S889 PolarHBondContact O-N 2.72Å; P887-S889 VanDerWaalsContact O-N 3.15Å; P887-F890 HydrophobicContact CG-CB 4.29Å; P887-F890 VanDerWaalsContact O-CB 3.27Å; P887-F890 WeakPolarHBondContact O-CB 3.38Å; P887-F890 PolarHBondContact O-N 3.36Å
888	A	83.4	Confident	71.9	Confident	79 Å²	79	67.7 Å²	67.7	65%	0.653	40%	0.404	S	S	*	.	H	α-helix	trans	-57.6	-30.9	177.3	0	0	0	0	0	113	F890 T891 S892	A888-F890 VanDerWaalsContact C-N 3.26Å; A888-F890 PolarHBondContact O-N 3.12Å; A888-T891 PolarHBondContact O-N 3.1Å; A888-T891 PolarHBondContact O-OG1 2.63Å; A888-S892 PolarHBondContact O-N 2.61Å; A888-S892 PolarHBondContact O-OG 3.28Å
889	S	78.3	Confident	69.5	Low	74 Å²	74	69.8 Å²	69.8	52%	0.517	41%	0.41	S	S	.	.	H	α-helix	trans	-58.5	-34.6	174.8	53.8	0	0	0	0	112.8	P887 T891 S892 V893	P887-S889 WeakPolarHBondContact CG-OG 3.1Å; P887-S889 PolarHBondContact O-N 2.72Å; P887-S889 VanDerWaalsContact O-N 3.15Å; S889-T891 VanDerWaalsContact C-N 3.27Å; S889-T891 PolarHBondContact O-N 3.45Å; S889-S892 VanDerWaalsContact CA-OG 3.3Å; S889-S892 WeakPolarHBondContact CA-OG 3.49Å; S889-S892 PolarHBondContact O-N 3.23Å; S889-S892 PolarHBondContact O-OG 3.35Å; S889-V893 WeakPolarHBondContact O-CG2 3.33Å
890	F	84.3	Confident	67.3	Low	11 Å²	11	69.5 Å²	69.5	5%	0.048	40%	0.402	C	S	.	.	H	α-helix	trans	-61.3	-36.5	-179.7	-176.5	-87.7	0	0	0	112.5	L367 R863 A864 Y867 L886 P887 A888	L367-F890 HydrophobicContact CD1-CD2 3.79Å; L367-F890 HydrophobicContact CD1-CE2 3.89Å; R863-F890 HydrophobicContact CB-CZ 4.29Å; R863-F890 HydrophobicContact CG-CE2 3.97Å; R863-F890 HydrophobicContact CG-CZ 3.85Å; R863-F890 PolarHBondContact NH1-O 3.28Å; R863-F890 PolarHBondContact NH2-O 3.32Å; A864-F890 HydrophobicContact CB-CE1 4.42Å; A864-F890 HydrophobicContact CB-CZ 3.95Å; Y867-F890 HydrophobicContact CD2-CD2 4.01Å; Y867-F890 HydrophobicContact CG-CD2 4.18Å; Y867-F890 HydrophobicContact CG-CE2 4.42Å; L886-F890 HydrophobicContact CB-CB 4.22Å; L886-F890 HydrophobicContact CB-CD1 4.37Å; L886-F890 HydrophobicContact CB-CG 4.26Å; L886-F890 HydrophobicContact CD1-CD1 3.69Å; L886-F890 HydrophobicContact CD1-CE1 3.67Å; L886-F890 HydrophobicContact CD1-CE2 4.49Å; L886-F890 HydrophobicContact CD1-CG 4.13Å; L886-F890 HydrophobicContact CD1-CZ 4.09Å; L886-F890 HydrophobicContact CD2-CD2 4.12Å; L886-F890 HydrophobicContact CD2-CE2 4.35Å; L886-F890 HydrophobicContact CD2-CG 4.28Å; L886-F890 HydrophobicContact CG-CD1 4.47Å; L886-F890 HydrophobicContact CG-CG 4.47Å; P887-F890 HydrophobicContact CG-CB 4.29Å; P887-F890 VanDerWaalsContact O-CB 3.27Å; P887-F890 WeakPolarHBondContact O-CB 3.38Å; P887-F890 PolarHBondContact O-N 3.36Å; A888-F890 VanDerWaalsContact C-N 3.26Å; A888-F890 PolarHBondContact O-N 3.12Å
891	T	73.8	Confident	64.9	Low	43 Å²	43	70.4 Å²	70.4	26%	0.264	40%	0.399	S	S	.	.	H	α-helix	trans	-95.2	-5.5	-176	69.3	0	0	0	0	114.2	T628 K657 A888 S889	T628-T891 HydrophobicContact CG2-CG2 3.92Å; K657-T891 PolarHBondContact NZ-O 3.08Å; A888-T891 PolarHBondContact O-N 3.1Å; A888-T891 PolarHBondContact O-OG1 2.63Å; S889-T891 VanDerWaalsContact C-N 3.27Å; S889-T891 PolarHBondContact O-N 3.45Å
892	S	60.4	Low	62.4	Low	47 Å²	47	67.9 Å²	67.9	33%	0.329	40%	0.401	S	S	.	.			trans	-111	9.8	-171.9	49.8	0	0	0	0	114.4	A888 S889 G894 R895	A888-S892 PolarHBondContact O-N 2.61Å; A888-S892 PolarHBondContact O-OG 3.28Å; S889-S892 VanDerWaalsContact CA-OG 3.3Å; S889-S892 WeakPolarHBondContact CA-OG 3.49Å; S889-S892 PolarHBondContact O-N 3.23Å; S889-S892 PolarHBondContact O-OG 3.35Å; S892-G894 PolarHBondContact O-N 3.45Å; S892-R895 PolarHBondContact O-N 2.85Å
893	V	57.3	Low	59.6	Low	33 Å²	33	71.1 Å²	71.1	20%	0.2	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	119.8	-179.2	-174.8	0	0	0	0	110.5	L367 L697 D701 S889	L367-V893 HydrophobicContact CD2-CG2 4.23Å; L697-V893 HydrophobicContact CD1-CG1 4.27Å; D701-V893 VanDerWaalsContact O-CG1 3.3Å; D701-V893 WeakPolarHBondContact O-CG1 3.38Å; S889-V893 WeakPolarHBondContact O-CG2 3.33Å
894	G	44.3	Very low	56.7	Low	22 Å²	22	73.4 Å²	73.4	23%	0.227	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	119	-16.3	-174.2	0	0	0	0	0	115.3	S892 V898	S892-G894 PolarHBondContact O-N 3.45Å; G894-V898 WeakPolarHBondContact O-CG2 3.47Å
895	R	35.1	Very low	53.9	Low	180 Å²	180	77 Å²	77	68%	0.679	47%	0.474	S	S	*	.	H	α-helix	trans	-78.7	-31.6	176.2	-79.2	-171.9	178.4	-178.1	1.4	114.2	S892 V898 Q899	S892-R895 PolarHBondContact O-N 2.85Å; R895-V898 PolarHBondContact O-N 3.36Å; R895-Q899 PolarHBondContact O-N 3.46Å
896	T	32.4	Very low	50.9	Low	115 Å²	115	74.1 Å²	74.1	71%	0.706	48%	0.479	S	S	*	.	H	α-helix	trans	-70.1	-36.3	-178.5	39.9	0	0	0	0	112.7	A900	T896-A900 PolarHBondContact O-N 3.28Å
897	A	31.8	Very low	48	Very low	33 Å²	33	79.5 Å²	79.5	27%	0.273	51%	0.513	S	S	.	.	H	α-helix	trans	-69.4	-33.1	175.9	0	0	0	0	0	113.2	N901	A897-N901 PolarHBondContact O-N 2.76Å
898	V	32.8	Very low	45.3	Very low	100 Å²	100	83.3 Å²	83.3	61%	0.606	54%	0.538	S	S	*	.	H	α-helix	trans	-76.3	-33.5	-179.2	178.9	0	0	0	0	112	G894 R895 A902	G894-V898 WeakPolarHBondContact O-CG2 3.47Å; R895-V898 PolarHBondContact O-N 3.36Å; V898-A902 VanDerWaalsContact O-CB 3.3Å; V898-A902 WeakPolarHBondContact O-CB 3.3Å; V898-A902 PolarHBondContact O-N 3.38Å; V898-A902 VanDerWaalsContact O-N 3.11Å
899	Q	30.3	Very low	42.9	Very low	151 Å²	151	84.8 Å²	84.8	71%	0.706	55%	0.55	S	S	*	*	H	α-helix	trans	-73.8	-32.5	175	-79.1	-179	-24.4	0	0	112.9	R895 A903	R895-Q899 PolarHBondContact O-N 3.46Å; Q899-A903 WeakPolarHBondContact O-CB 3.48Å; Q899-A903 PolarHBondContact O-N 3.49Å
900	A	32	Very low	40.9	Very low	65 Å²	65	84.7 Å²	84.7	54%	0.537	56%	0.561	S	S	.	*	H	α-helix	trans	-69.1	-40	174.9	0	0	0	0	0	112.5	T896	T896-A900 PolarHBondContact O-N 3.28Å
901	N	33.9	Very low	38.5	Very low	113 Å²	113	93.3 Å²	93.3	60%	0.604	60%	0.601	S	S	*	*	H	α-helix	trans	-76.6	-32.2	179.1	-76.9	-18.8	0	0	0	113.2	A897 A903 S904	A897-N901 PolarHBondContact O-N 2.76Å; N901-A903 VanDerWaalsContact C-N 3.33Å; N901-A903 PolarHBondContact O-N 2.91Å; N901-S904 PolarHBondContact O-N 3.11Å; N901-S904 PolarHBondContact O-OG 3.31Å
902	A	35.1	Very low	36.8	Very low	78 Å²	78	98.2 Å²	98.2	65%	0.645	63%	0.631	S	S	*	*	H	α-helix	trans	-72.1	-23.8	175.8	0	0	0	0	0	113.7	V898	V898-A902 VanDerWaalsContact O-CB 3.3Å; V898-A902 WeakPolarHBondContact O-CB 3.3Å; V898-A902 PolarHBondContact O-N 3.38Å; V898-A902 VanDerWaalsContact O-N 3.11Å
903	A	35.3	Very low	35.8	Very low	87 Å²	87	102.1 Å²	102.1	72%	0.719	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-10.7	175.6	0	0	0	0	0	113.8	Q899 N901	Q899-A903 WeakPolarHBondContact O-CB 3.48Å; Q899-A903 PolarHBondContact O-N 3.49Å; N901-A903 VanDerWaalsContact C-N 3.33Å; N901-A903 PolarHBondContact O-N 2.91Å
904	S	35.2	Very low	34.6	Very low	85 Å²	85	109.3 Å²	109.3	59%	0.594	68%	0.684	S	S	*	*	S	Bend	trans	-95.7	-6.8	-175.9	73.6	0	0	0	0	114.9	N901 G906	N901-S904 PolarHBondContact O-N 3.11Å; N901-S904 PolarHBondContact O-OG 3.31Å; S904-G906 PolarHBondContact O-N 3.34Å
905	V	35.5	Very low	34.3	Very low	117 Å²	117	121.2 Å²	121.2	71%	0.709	73%	0.734	S	S	*	*			trans	-95.1	76	175	-171.3	0	0	0	0	108.9	T907	V905-T907 PolarHBondContact O-N 3.29Å
906	G	31.1	Very low	34.2	Very low	70 Å²	70	118.3 Å²	118.3	72%	0.722	74%	0.736	S	S	*	*			trans	-72.9	109.6	171	0	0	0	0	0	110.8	S904	S904-G906 PolarHBondContact O-N 3.34Å
907	T	34.3	Very low	34.3	Very low	129 Å²	129	118.5 Å²	118.5	79%	0.791	74%	0.738	S	S	*	*			trans	-62.6	127.9	169.3	-37.4	0	0	0	0	109.4	V905 A909	V905-T907 PolarHBondContact O-N 3.29Å; T907-A909 PolarHBondContact O-N 3.35Å
908	P	34.6	Very low	34.5	Very low	117 Å²	117	123.2 Å²	123.2	76%	0.76	76%	0.764	S	S	*	*			trans	-71.4	125.3	175.8	21.6	-19	0	0	0	109.5	G910	P908-G910 PolarHBondContact O-N 3.26Å
909	A	32.4	Very low	34.6	Very low	111 Å²	111	124.6 Å²	124.6	92%	0.917	77%	0.773	S	S	*	*			trans	-64.7	114.6	172.5	0	0	0	0	0	109.6	T907	T907-A909 PolarHBondContact O-N 3.35Å
910	G	37.4	Very low	34.8	Very low	72 Å²	72	122.9 Å²	122.9	74%	0.742	78%	0.777	S	S	*	*			trans	-116.2	114.2	170.8	0	0	0	0	0	109.5	P908	P908-G910 PolarHBondContact O-N 3.26Å
911	E	32.9	Very low	35	Very low	191 Å²	191	126.8 Å²	126.8	89%	0.893	79%	0.793	S	S	*	*			trans	-53.4	129.3	171.3	-64	168.3	129.8	0	0	111.7
912	V	37.9	Very low	35.1	Very low	146 Å²	146	127.8 Å²	127.8	89%	0.885	81%	0.807	S	S	*	*			trans	-147.2	128	145.3	-169.4	0	0	0	0	110
913	V	40.8	Very low	35.1	Very low	130 Å²	130	131.6 Å²	131.6	79%	0.788	82%	0.819	S	S	*	*			trans	-71.3	152	-179.6	171.3	0	0	0	0	112.4
914	E	30.7	Very low	35.1	Very low	183 Å²	183	135.3 Å²	135.3	86%	0.855	83%	0.828	S	S	*	*			trans	-32.7	131.8	177.4	-67.4	174.8	138.9	0	0	117.9
915	Q	38.3	Very low	35.1	Very low	273 Å²	273	139.9 Å²	139.9	100%	1.276	85%	0.849	S	S	*	*				-154.4	0	123.7	-111	-178.2	18	0	0	111

Retrieved 915 of 915 residues in 3750 ms (Link to these results)

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