A0A087YGH8_POEFO Loading...

Piwi-like RNA-mediated gene silencing 1

AlphaFold DB , UniProt , Accession A0A087YGH8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 855 aa.

						>A0A087YGH8_POEFO|A0A087YGH8
MTGRARARSRGRARGQDTAAPGATQAHEVAPAPPPPAEGELVGRGRQKGAPGAIAREAVLQISTGFQQVKLGERGGRRRDFHDTGVYTRQAMEHVKESKTGTSGATIKLTANFFRILSRPQWILYQYHVDFKPAMESRRLRSALLFQHSEVLGTARNFDGALLFLPHRLHSKETVLYSETRNKEKVLITVTLTNELPPTSPVCIQFYNLIFRRILRVLNMQQIGRNYYNPNEPHEIRQHKLTIWPGYSTTILNYESSIMMCTDVSHKVLRSETVLDLMINLRQQCGRERYTDICAKELIGQIVLTKYNNKTYRVDDIAWDHTPSNTFTRGDTEISFKNYYKNQYGLDIHDVNQVLLVSHVKKMGLPGAPPPGPAMLVPELCYLTGLTDKMRNDFTIMKELSTHTRLNPDQRERQLNRFITSIHKNADAQSEMSKWGLSFDEKLLNLTGRVLGGERIYQGPRSYDYNPQSADWSREMRGIPVISAPPLDNWLLFHSRRNSNEAQSLLQTLHKVSGPIGIRMQRPIIIEFEDNQLSLLKALQHNVGQQTQMVVVVLPNSNKDKYDSIKKYLCLDCPTPSQCVVARTLSRPQALMTVATKIALQMACKMGGELWSVEIPLKQLMIVGIDCYHDTSAGKRSIGALVASLNPTMSRWYSKCVLQHKGQEIMDGLKMALTGALKDYLKFNNCLPSRIIVYRDGVGDGQLQSVVNYEVAQMMDSIKSLGEDYEPKLSVVVVKKRISSRFFTMIGDKFTNPPPGTVIDTEVTRPEWYDFYIVSQSVRSGSVSPTHYNVVYDTSGLKPDHMQRLTYKLCHMYYNWQGIIRVPAPCQYGHKLAFLVGQSIHKQPNVKLDDYLFYL
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	22.2	Very low	24.9	Very low	244 Å²	244	153.4 Å²	153.4	100%	1.202	81%	0.811	S	S	*	*				0	126.6	0	-65	176.8	-176.4	0	0	108.5
2	T	23.7	Very low	24.9	Very low	121 Å²	121	161.8 Å²	161.8	74%	0.742	82%	0.823	S	S	*	*			trans	-139.7	125.5	166.6	38.8	0	0	0	0	107.4	R4	T2-R4 PolarHBondContact O-N 3.28Å; T2-R4 VanDerWaalsContact O-N 3.15Å
3	G	22.4	Very low	24.8	Very low	83 Å²	83	157.2 Å²	157.2	86%	0.856	83%	0.825	S	S	*	*			trans	-81.5	93.2	-166.4	0	0	0	0	0	113.5	A5	G3-A5 PolarHBondContact O-N 2.73Å
4	R	26.8	Very low	24.9	Very low	228 Å²	228	163.1 Å²	163.1	86%	0.86	83%	0.83	S	S	*	*			trans	-73.2	74.9	164.1	-81.6	-176.8	167.9	170.3	-2.7	110.5	T2 R6	T2-R4 PolarHBondContact O-N 3.28Å; T2-R4 VanDerWaalsContact O-N 3.15Å; R4-R6 PolarHBondContact O-N 3.09Å; R4-R6 VanDerWaalsContact O-N 3.13Å
5	A	22.8	Very low	24.9	Very low	66 Å²	66	157.2 Å²	157.2	55%	0.545	83%	0.827	S	S	.	*			trans	-66.2	107.1	175.2	0	0	0	0	0	110.8	G3 W816	G3-A5 PolarHBondContact O-N 2.73Å; A5-W816 HydrophobicContact CB-CH2 3.96Å; A5-W816 HydrophobicContact CB-CZ3 4.35Å
6	R	28.6	Very low	24.9	Very low	212 Å²	212	158.5 Å²	158.5	80%	0.8	83%	0.827	S	S	*	*			trans	-105.9	108.2	171.9	-81.8	-178.3	164.7	170.1	-4.7	109.9	R4	R4-R6 PolarHBondContact O-N 3.09Å; R4-R6 VanDerWaalsContact O-N 3.13Å
7	A	24.1	Very low	25.1	Very low	64 Å²	64	158.9 Å²	158.9	53%	0.529	83%	0.831	S	S	.	*			trans	-84.4	136.4	172.2	0	0	0	0	0	111.2
8	R	26.6	Very low	25.1	Very low	227 Å²	227	157.7 Å²	157.7	86%	0.857	83%	0.831	S	S	*	*			trans	-108.4	144.7	155.6	-81.2	177.6	163.3	172.2	-7.3	107.6
9	S	25.1	Very low	25.2	Very low	115 Å²	115	155.1 Å²	155.1	80%	0.804	83%	0.834	S	S	*	*			trans	-129.8	116.8	172.1	51.6	0	0	0	0	109.1
10	R	28.6	Very low	25.2	Very low	252 Å²	252	152.1 Å²	152.1	95%	0.951	83%	0.832	S	S	*	*			trans	-91.6	132	160.7	-79.5	-179.1	165.3	176	-6.8	107.3
11	G	23.5	Very low	25.8	Very low	75 Å²	75	151.1 Å²	151.1	77%	0.773	83%	0.833	S	S	*	*			trans	-87.5	155.9	168.5	0	0	0	0	0	111.2
12	R	24.5	Very low	26	Very low	255 Å²	255	143.2 Å²	143.2	96%	0.962	81%	0.814	S	S	*	*			trans	-120.6	166.5	154.7	-108.3	-176.8	171.3	-177.2	-4.3	108.3
13	A	23.2	Very low	26.1	Very low	102 Å²	102	141.7 Å²	141.7	84%	0.843	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-74	172.3	-160.2	0	0	0	0	0	114.9
14	R	26.4	Very low	26.4	Very low	239 Å²	239	144 Å²	144	90%	0.902	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-69.3	146.6	174	-67.5	171.5	168.5	164.1	-7.8	111.3
15	G	24.8	Very low	26.5	Very low	75 Å²	75	141.7 Å²	141.7	77%	0.773	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-98.4	153.4	134.4	0	0	0	0	0	108.4
16	Q	25.4	Very low	26.7	Very low	178 Å²	178	142.4 Å²	142.4	83%	0.832	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-88.6	158.6	164.7	-72.4	158.5	-105.2	0	0	108.7
17	D	27.4	Very low	26.8	Very low	166 Å²	166	141 Å²	141	89%	0.888	82%	0.818	S	S	*	*				-167.7	172.7	121.4	-93.6	-23.4	0	0	0	110.8
18	T	25.6	Very low	27	Very low	136 Å²	136	146.1 Å²	146.1	83%	0.834	83%	0.831	S	S	*	*			trans	-108.6	147.9	-163.5	47.4	0	0	0	0	112.8
19	A	26.5	Very low	27.1	Very low	108 Å²	108	140.9 Å²	140.9	89%	0.893	82%	0.824	S	S	*	*			trans	179.2	139.7	139.1	0	0	0	0	0	112.5
20	A	25.5	Very low	27.3	Very low	95 Å²	95	139.6 Å²	139.6	79%	0.785	82%	0.821	S	S	*	*			trans	-156.9	168.3	159.6	0	0	0	0	0	105.7
21	P	38.8	Very low	27.9	Very low	133 Å²	133	133.8 Å²	133.8	86%	0.864	82%	0.816	S	S	*	*			cis	-130.1	-173.4	5.8	42.1	-26	0	0	0	114
22	G	26.5	Very low	28.5	Very low	77 Å²	77	134.8 Å²	134.8	79%	0.794	82%	0.816	S	S	*	*			trans	-160.8	137.2	164	0	0	0	0	0	109.3
23	A	26.3	Very low	29.2	Very low	89 Å²	89	128.6 Å²	128.6	74%	0.736	81%	0.809	S	S	*	*			trans	-138.4	-175.3	-170.6	0	0	0	0	0	112.2
24	T	27.4	Very low	30	Very low	132 Å²	132	129.6 Å²	129.6	81%	0.81	81%	0.807	S	S	*	*			trans	75.1	149.4	-171.7	76	0	0	0	0	114
25	Q	28.5	Very low	31	Very low	179 Å²	179	123.8 Å²	123.8	84%	0.836	80%	0.801	S	S	*	*			cis	-145.1	170.2	4.4	-142.7	162.5	20.4	0	0	110.8
26	A	27.4	Very low	31.4	Very low	82 Å²	82	126.3 Å²	126.3	68%	0.678	80%	0.803	S	S	*	*			trans	-128.4	157.1	-179	0	0	0	0	0	111.7
27	H	30.4	Very low	31.6	Very low	182 Å²	182	121.8 Å²	121.8	84%	0.843	80%	0.796	S	S	*	*			trans	-156.3	148.7	172.8	-104.6	-70.5	0	0	0	112.7
28	E	29	Very low	31.7	Very low	171 Å²	171	123.3 Å²	123.3	80%	0.799	80%	0.798	S	S	*	*			trans	-155.3	158.6	-166.3	-70.8	-165.1	75.7	0	0	109.7
29	V	28.8	Very low	31.7	Very low	117 Å²	117	120.5 Å²	120.5	71%	0.709	80%	0.796	S	S	*	*			cis	-163.4	146	-8.9	126	0	0	0	0	110.3
30	A	29.8	Very low	31.7	Very low	88 Å²	88	123.4 Å²	123.4	73%	0.727	79%	0.791	S	S	*	*			trans	60.4	-175.4	162.3	0	0	0	0	0	117.5
31	P	40.3	Very low	31.8	Very low	131 Å²	131	125.2 Å²	125.2	85%	0.851	79%	0.787	S	S	*	*			cis	-124.4	-172.8	-13.7	27.8	-5.1	0	0	0	114.5
32	A	36.3	Very low	31.1	Very low	95 Å²	95	124.8 Å²	124.8	79%	0.785	78%	0.782	S	S	*	*			trans	-133	145.2	175	0	0	0	0	0	112.9
33	P	38.3	Very low	31.1	Very low	125 Å²	125	124 Å²	124	81%	0.812	77%	0.774	S	S	*	*			trans	-110.1	176	174.4	38.7	-29.4	0	0	0	114.4
34	P	40.7	Very low	31	Very low	124 Å²	124	132.3 Å²	132.3	81%	0.805	79%	0.786	S	S	*	*			trans	-108.5	-177.1	-148.7	4.8	19.1	0	0	0	117.8
35	P	48.4	Very low	30.7	Very low	117 Å²	117	129.5 Å²	129.5	76%	0.76	78%	0.784	S	S	*	*			trans	-103.8	178.2	-176.3	41.9	-36.4	0	0	0	114.9
36	P	33.3	Very low	30.5	Very low	127 Å²	127	132.7 Å²	132.7	83%	0.825	79%	0.788	S	S	*	*			trans	-111.9	164.6	160.3	38.1	-28.6	0	0	0	114.4
37	A	29.1	Very low	30.3	Very low	84 Å²	84	136.6 Å²	136.6	69%	0.694	79%	0.792	S	S	*	*			trans	-90.8	-160.5	167.7	0	0	0	0	0	110.1
38	E	29.3	Very low	30.1	Very low	198 Å²	198	137.4 Å²	137.4	93%	0.925	79%	0.793	S	S	*	*			cis	-165.5	170.6	14.6	-150.2	155.9	-118.4	0	0	109
39	G	26.1	Very low	29.8	Very low	76 Å²	76	133.3 Å²	133.3	78%	0.784	80%	0.797	S	S	*	*			trans	163.3	101	172	0	0	0	0	0	118.6
40	E	26.1	Very low	29.6	Very low	170 Å²	170	132.5 Å²	132.5	79%	0.794	80%	0.802	S	S	*	*			trans	-101	-171.5	173.7	-135.6	-144.3	118.2	0	0	111.3
41	L	26.7	Very low	29.7	Very low	133 Å²	133	134.8 Å²	134.8	70%	0.696	81%	0.81	S	S	*	*			cis	-157.5	155.1	29.8	-111	148.1	0	0	0	109.8
42	V	25.6	Very low	28.9	Very low	124 Å²	124	132.1 Å²	132.1	75%	0.752	81%	0.807	S	S	*	*			trans	67.2	145.3	149.3	167.9	0	0	0	0	120.3
43	G	24.6	Very low	28.3	Very low	61 Å²	61	132.1 Å²	132.1	63%	0.629	81%	0.806	S	S	*	*			cis	151.4	167.4	-9.8	0	0	0	0	0	114.8
44	R	24.4	Very low	27.7	Very low	262 Å²	262	134.5 Å²	134.5	99%	0.989	81%	0.81	S	S	*	*			trans	56.8	147	166.1	-54.7	177.2	179.6	178.3	0.6	118.7
45	G	21.9	Very low	26.9	Very low	74 Å²	74	133 Å²	133	76%	0.763	81%	0.809	S	S	*	*			cis	156.2	153.3	-8.6	0	0	0	0	0	114
46	R	24.2	Very low	25.9	Very low	245 Å²	245	139.4 Å²	139.4	93%	0.925	82%	0.818	S	S	*	*			trans	82.5	102.1	168	-72.8	-174.6	166.6	178	-3.7	123.1
47	Q	23.6	Very low	25.6	Very low	165 Å²	165	142.7 Å²	142.7	77%	0.771	82%	0.822	S	S	*	*				43.8	128.7	115.4	-69.7	-169.4	-1.2	0	0	125.6
48	K	25	Very low	25.5	Very low	198 Å²	198	143.4 Å²	143.4	86%	0.861	83%	0.828	S	S	*	*			trans	72	122.9	132.7	-73.6	-174.9	172.9	-176.4	0	122.2
49	G	23.1	Very low	25.5	Very low	85 Å²	85	140.9 Å²	140.9	88%	0.876	83%	0.825	S	S	*	*			trans	-172.9	135.1	156.5	0	0	0	0	0	112.5
50	A	24.1	Very low	25.5	Very low	100 Å²	100	145 Å²	145	83%	0.826	83%	0.829	S	S	*	*			trans	-151.7	165.5	175.5	0	0	0	0	0	107.1
51	P	33.3	Very low	25.5	Very low	136 Å²	136	145.5 Å²	145.5	88%	0.883	83%	0.831	S	S	*	*			cis	-138.7	-174.9	23.3	43.2	-24.7	0	0	0	116.1
52	G	23.1	Very low	25.6	Very low	76 Å²	76	147.6 Å²	147.6	78%	0.784	84%	0.841	S	S	*	*			trans	171.9	145.8	169.9	0	0	0	0	0	111.1
53	A	24.4	Very low	25.8	Very low	94 Å²	94	147 Å²	147	78%	0.777	84%	0.842	S	S	*	*			trans	-134.2	-172.9	-174.9	0	0	0	0	0	112.2
54	I	24.9	Very low	25.8	Very low	176 Å²	176	150.7 Å²	150.7	90%	0.903	85%	0.853	S	S	*	*			trans	85.6	123.4	-170.7	-52.5	163.3	0	0	0	111.3
55	A	24.3	Very low	25.8	Very low	93 Å²	93	141.5 Å²	141.5	77%	0.769	84%	0.839	S	S	*	*			cis	-137.1	164.6	-6.4	0	0	0	0	0	111.3
56	R	27.1	Very low	26	Very low	250 Å²	250	148.1 Å²	148.1	94%	0.943	85%	0.848	S	S	*	*			trans	-111.5	96.2	176.7	-79.5	-179.6	168.6	175.6	-3.4	111.3
57	E	26.8	Very low	25.9	Very low	197 Å²	197	145.4 Å²	145.4	92%	0.921	85%	0.846	S	S	*	*			trans	-155.5	94.9	168.1	-122.9	162.8	-149.4	0	0	111.4
58	A	27.4	Very low	26	Very low	99 Å²	99	145.6 Å²	145.6	82%	0.818	85%	0.847	S	S	*	*	S	Bend	trans	-175.6	-37.1	170.1	0	0	0	0	0	113.3
59	V	28.1	Very low	25.9	Very low	144 Å²	144	142.2 Å²	142.2	87%	0.873	84%	0.842	S	S	*	*	S	Bend	trans	-110.3	33.6	-160.7	-158.4	0	0	0	0	113.3
60	L	27.6	Very low	25.8	Very low	163 Å²	163	146.8 Å²	146.8	85%	0.853	84%	0.838	S	S	*	*			trans	-147	46.6	-174.3	-132.9	159.4	0	0	0	114.6
61	Q	25.4	Very low	25.9	Very low	181 Å²	181	151 Å²	151	85%	0.846	85%	0.846	S	S	*	*	S	Bend	trans	-140.7	25	173.8	-125.9	179.6	36.1	0	0	116
62	I	29	Very low	25.4	Very low	176 Å²	176	147.1 Å²	147.1	90%	0.903	83%	0.83	S	S	*	*	S	Bend	trans	-125.6	41	172.4	-37	-178.9	0	0	0	111.3
63	S	29.2	Very low	25.7	Very low	111 Å²	111	150.9 Å²	150.9	78%	0.776	83%	0.828	S	S	*	*	S	Bend	trans	-146.5	35.6	-179.2	-157.5	0	0	0	0	114.8
64	T	24.8	Very low	25.8	Very low	140 Å²	140	157.4 Å²	157.4	86%	0.859	83%	0.832	S	S	*	*	S	Bend	trans	-141.6	62.9	176.9	39.3	0	0	0	0	111.2
65	G	25.2	Very low	25.7	Very low	68 Å²	68	151.7 Å²	151.7	70%	0.701	82%	0.817	S	S	*	*	S	Bend	trans	-159.2	-1.4	-177.6	0	0	0	0	0	118.3
66	F	25.8	Very low	26.2	Very low	214 Å²	214	150.1 Å²	150.1	94%	0.939	81%	0.809	S	S	*	*			trans	-130.1	67.7	-176.2	-89.5	-86.6	0	0	0	113.1
67	Q	22.4	Very low	26.1	Very low	188 Å²	188	146.4 Å²	146.4	88%	0.879	80%	0.796	S	S	*	*			trans	-84.9	123.9	165.8	-77.5	-173.4	-17.2	0	0	111.7
68	Q	25.8	Very low	26.6	Very low	169 Å²	169	145.4 Å²	145.4	79%	0.79	78%	0.783	S	S	*	*			trans	35	82.7	155.5	-58	-170.3	10.6	0	0	118.9
69	V	21.8	Very low	26.6	Very low	127 Å²	127	151.3 Å²	151.3	77%	0.77	78%	0.784	S	S	*	*			trans	-93.8	103.2	155.3	-178.2	0	0	0	0	109.2	L71	V69-L71 PolarHBondContact O-N 2.89Å
70	K	21.1	Very low	26.8	Very low	180 Å²	180	148.4 Å²	148.4	78%	0.783	76%	0.764	S	S	*	*			trans	-60.4	132.8	179.9	-68.1	177.4	179	175.1	0	111.5	G72	K70-G72 PolarHBondContact O-N 3.36Å
71	L	26.6	Very low	27.1	Very low	189 Å²	189	148.5 Å²	148.5	99%	0.99	76%	0.758	S	S	*	*			trans	-77.8	82.5	-175.7	-143.9	80.9	0	0	0	111.6	V69	V69-L71 PolarHBondContact O-N 2.89Å
72	G	22.7	Very low	27.2	Very low	55 Å²	55	147.1 Å²	147.1	57%	0.567	75%	0.751	S	S	*	*			trans	-97.9	145.3	177.7	0	0	0	0	0	113.9	K70 R74	K70-G72 PolarHBondContact O-N 3.36Å; G72-R74 PolarHBondContact O-N 2.77Å
73	E	29.8	Very low	27.8	Very low	155 Å²	155	142.3 Å²	142.3	72%	0.724	73%	0.727	S	S	*	*			trans	-56.2	107.6	179.1	-68.1	-167.9	162.7	0	0	112.6
74	R	25.5	Very low	28.4	Very low	230 Å²	230	142.2 Å²	142.2	87%	0.868	72%	0.722	S	S	*	*			trans	-112.3	86.7	176.3	-74.4	-175.4	176.4	-174.6	-0.3	112.5	G72	G72-R74 PolarHBondContact O-N 2.77Å
75	G	23.9	Very low	29.8	Very low	57 Å²	57	136.3 Å²	136.3	59%	0.588	69%	0.689	S	S	*	*			trans	-85.9	149.2	163.7	0	0	0	0	0	112.1
76	G	33.5	Very low	31.6	Very low	59 Å²	59	133.8 Å²	133.8	61%	0.608	66%	0.66	S	S	*	*	S	Bend	trans	110.7	-3.1	146.9	0	0	0	0	0	120.1
77	R	24.8	Very low	34	Very low	173 Å²	173	129 Å²	129	65%	0.653	64%	0.636	S	S	*	*	S	Bend	trans	-144.6	152	161.4	-81.6	-168.1	-162.7	-174.5	10.3	112.3	R79 M363	R77-R79 PolarHBondContact O-N 2.9Å; R77-M363 PolarHBondContact NH2-O 3.48Å
78	R	39.1	Very low	36.6	Very low	175 Å²	175	120.1 Å²	120.1	66%	0.66	60%	0.595	S	S	*	*			trans	-60.1	120.3	169.1	-69.5	161.5	169.6	-165.9	3.3	109.6	D80	R78-D80 WeakPolarHBondContact CB-OD2 3.38Å; R78-D80 WeakPolarHBondContact CD-OD1 3.44Å; R78-D80 WeakPolarHBondContact CD-OD2 3.46Å; R78-D80 VanDerWaalsContact CG-OD1 3.3Å; R78-D80 WeakPolarHBondContact CG-OD1 3.38Å; R78-D80 IonicContact CZ-OD1 3.19Å; R78-D80 IonicContact NE-OD1 2.74Å; R78-D80 PolarHBondContact NE-OD1 2.94Å; R78-D80 IonicContact NH1-OD1 2.76Å
79	R	25.6	Very low	39.3	Very low	223 Å²	223	113.6 Å²	113.6	84%	0.842	56%	0.563	S	S	*	*				-84.5	120.4	110.3	-73.4	-177.8	172.3	-179.1	-5.5	104.7	R77 F81	R77-R79 PolarHBondContact O-N 2.9Å; R79-F81 PolarHBondContact O-N 2.84Å; R79-F81 VanDerWaalsContact O-N 3.17Å
80	D	33.3	Very low	42.1	Very low	83 Å²	83	114.1 Å²	114.1	44%	0.444	56%	0.557	S	S	.	*			trans	-67.2	115	170.7	-69.4	-69.7	0	0	0	105.6	R78 H82	R78-D80 WeakPolarHBondContact CB-OD2 3.38Å; R78-D80 WeakPolarHBondContact CD-OD1 3.44Å; R78-D80 WeakPolarHBondContact CD-OD2 3.46Å; R78-D80 VanDerWaalsContact CG-OD1 3.3Å; R78-D80 WeakPolarHBondContact CG-OD1 3.38Å; R78-D80 IonicContact CZ-OD1 3.19Å; R78-D80 IonicContact NE-OD1 2.74Å; R78-D80 PolarHBondContact NE-OD1 2.94Å; R78-D80 IonicContact NH1-OD1 2.76Å; D80-H82 PolarHBondContact O-N 3.47Å
81	F	32.9	Very low	45	Very low	166 Å²	166	109.8 Å²	109.8	73%	0.728	56%	0.555	S	S	*	*			trans	-59.6	125.5	175.4	-87.6	-113.5	0	0	0	106.9	R79 D83	R79-F81 PolarHBondContact O-N 2.84Å; R79-F81 VanDerWaalsContact O-N 3.17Å; F81-D83 PolarHBondContact O-N 3.19Å
82	H	29.4	Very low	47.9	Very low	152 Å²	152	101.2 Å²	101.2	70%	0.704	51%	0.51	S	S	*	.			trans	-57.1	130.8	155.8	-73.2	-94.3	0	0	0	106.8	D80 T84	D80-H82 PolarHBondContact O-N 3.47Å; H82-T84 HydrophobicContact CB-CG2 3.97Å; H82-T84 PolarHBondContact O-N 3.06Å
83	D	40.6	Very low	51	Low	75 Å²	75	105 Å²	105	40%	0.401	51%	0.513	S	S	.	.			trans	-74.8	62	160.8	-151.2	5.7	0	0	0	106.8	F81 G85 R765	F81-D83 PolarHBondContact O-N 3.19Å; D83-G85 PolarHBondContact O-N 3.45Å; D83-R765 IonicContact OD2-NH2 3.63Å; D83-R765 PolarHBondContact OD2-NH2 2.96Å; D83-R765 VanDerWaalsContact OD2-NH2 3.16Å
84	T	42.8	Very low	53.8	Low	109 Å²	109	100.8 Å²	100.8	67%	0.669	49%	0.493	S	S	*	.			trans	-68.9	64	152.9	49.7	0	0	0	0	105.9	H82	H82-T84 HydrophobicContact CB-CG2 3.97Å; H82-T84 PolarHBondContact O-N 3.06Å
85	G	54.1	Low	57	Low	15 Å²	15	89.8 Å²	89.8	16%	0.155	45%	0.452	C	S	.	.			trans	-69	159.6	-169.2	0	0	0	0	0	110.1	D83 Y87	D83-G85 PolarHBondContact O-N 3.45Å; G85-Y87 WeakPolarHBondContact O-CD2 3.14Å; G85-Y87 PolarHBondContact O-N 3.36Å
86	V	62.4	Low	60	Low	16 Å²	16	92 Å²	92	10%	0.097	45%	0.445	C	S	.	.			trans	-67.3	108.4	170.3	-163.2	0	0	0	0	107.3	T88 L703 Q704 V707 W768	V86-T88 HydrophobicContact CB-CG2 3.82Å; V86-T88 HydrophobicContact CG1-CG2 3.52Å; V86-T88 PolarHBondContact O-N 2.96Å; V86-L703 HydrophobicContact CG2-CB 3.76Å; V86-Q704 HydrophobicContact CG2-CB 4.15Å; V86-V707 HydrophobicContact CG1-CG2 4.08Å; V86-V707 HydrophobicContact CG2-CG2 4.47Å; V86-W768 PolarHBondContact O-NE1 3.37Å
87	Y	76.5	Confident	62.6	Low	112 Å²	112	97.7 Å²	97.7	44%	0.439	46%	0.456	S	S	.	.			trans	-77.2	60.6	174.8	-73.3	-91.7	0	0	0	110.1	G85 R89 Q90 E767	G85-Y87 WeakPolarHBondContact O-CD2 3.14Å; G85-Y87 PolarHBondContact O-N 3.36Å; Y87-R89 PolarHBondContact O-N 2.99Å; Y87-R89 VanDerWaalsContact O-N 3.14Å; Y87-Q90 PolarHBondContact O-N 2.63Å; Y87-E767 CarbonylContact C-O 3.41Å; Y87-E767 HydrophobicContact CD1-CB 3.6Å; Y87-E767 HydrophobicContact CE1-CB 3.91Å; Y87-E767 HydrophobicContact CG-CB 4.45Å
88	T	76.7	Confident	65.7	Low	3 Å²	3	92.2 Å²	92.2	2%	0.018	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-36.9	-167	76	0	0	0	0	112.1	V86 A91 M92 E767 W768 Y769 V790 V791	V86-T88 HydrophobicContact CB-CG2 3.82Å; V86-T88 HydrophobicContact CG1-CG2 3.52Å; V86-T88 PolarHBondContact O-N 2.96Å; T88-A91 PolarHBondContact O-N 2.89Å; T88-M92 WeakPolarHBondContact O-CE 3.39Å; T88-M92 VanDerWaalsContact O-CG 3.28Å; T88-M92 WeakPolarHBondContact O-CG 3.19Å; T88-E767 PolarHBondContact N-O 3.06Å; T88-E767 VanDerWaalsContact N-O 3.17Å; T88-W768 WeakPolarHBondContact OG1-CA 3.31Å; T88-Y769 PolarHBondContact OG1-N 2.91Å; T88-V790 WeakPolarHBondContact CB-O 3.45Å; T88-V790 PolarHBondContact OG1-O 3.22Å; T88-V791 HydrophobicContact CG2-CB 4.29Å; T88-V791 HydrophobicContact CG2-CG1 4.32Å
89	R	82.8	Confident	68.2	Low	32 Å²	32	83.9 Å²	83.9	12%	0.121	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-35.7	179.2	-170.1	-174.9	-176.2	157.3	2.5	113.6	Y87 A91 M92 V95 K96 E97 E255 P766 E767	Y87-R89 PolarHBondContact O-N 2.99Å; Y87-R89 VanDerWaalsContact O-N 3.14Å; R89-A91 VanDerWaalsContact C-N 3.29Å; R89-A91 PolarHBondContact O-N 3.44Å; R89-M92 PolarHBondContact O-N 2.84Å; R89-V95 HydrophobicContact CG-CG2 4.39Å; R89-V95 WeakPolarHBondContact CG-O 3.49Å; R89-V95 PolarHBondContact NE-O 3.17Å; R89-V95 VanDerWaalsContact NE-O 3.08Å; R89-K96 PolarHBondContact NE-O 2.55Å; R89-E97 PolarHBondContact NH2-O 2.84Å; R89-E255 IonicContact CZ-OE1 3.83Å; R89-E255 IonicContact NH1-OE1 3.36Å; R89-E255 PolarHBondContact NH1-OE1 3.04Å; R89-E255 IonicContact NH2-OE1 2.68Å; R89-P766 WeakPolarHBondContact CD-O 3.4Å; R89-P766 PolarHBondContact NH1-O 3.14Å; R89-P766 VanDerWaalsContact NH1-O 3.15Å; R89-E767 WeakPolarHBondContact CB-O 3.49Å; R89-E767 PolarHBondContact N-O 3.32Å; R89-E767 VanDerWaalsContact N-O 3.16Å
90	Q	81.1	Confident	71.5	Confident	138 Å²	138	76 Å²	76	65%	0.645	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-28.6	-177.2	-70.5	-176.8	-16.5	0	0	112.4	Y87 M92	Y87-Q90 PolarHBondContact O-N 2.63Å; Q90-M92 VanDerWaalsContact C-N 3.32Å
91	A	80.9	Confident	74.5	Confident	89 Å²	89	72.3 Å²	72.3	74%	0.736	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-2	177	0	0	0	0	0	113.8	T88 R89	T88-A91 PolarHBondContact O-N 2.89Å; R89-A91 VanDerWaalsContact C-N 3.29Å; R89-A91 PolarHBondContact O-N 3.44Å
92	M	88.2	Confident	77.5	Confident	9 Å²	9	70 Å²	70	4%	0.044	37%	0.371	C	S	.	.			trans	-125.3	86.7	-171.8	-63.7	176.2	-159.1	0	0	110.5	T88 R89 Q90 H94 V95 K96 Y769 V790 D793	T88-M92 WeakPolarHBondContact O-CE 3.39Å; T88-M92 VanDerWaalsContact O-CG 3.28Å; T88-M92 WeakPolarHBondContact O-CG 3.19Å; R89-M92 PolarHBondContact O-N 2.84Å; Q90-M92 VanDerWaalsContact C-N 3.32Å; M92-H94 PolarHBondContact O-N 2.76Å; M92-V95 HydrophobicContact CB-CG2 3.52Å; M92-V95 VanDerWaalsContact O-CG2 3.29Å; M92-V95 WeakPolarHBondContact O-CG2 3.48Å; M92-V95 PolarHBondContact O-N 2.74Å; M92-V95 HydrophobicContact SD-CG2 4.44Å; M92-K96 PolarHBondContact O-N 3.34Å; M92-K96 VanDerWaalsContact O-N 3.16Å; M92-Y769 HydrophobicContact SD-CD1 3.82Å; M92-V790 HydrophobicContact CE-CG1 4.34Å; M92-V790 HydrophobicContact SD-CG1 4.29Å; M92-D793 HydrophobicContact CE-CB 4.31Å; M92-D793 HydrophobicContact SD-CB 3.94Å
93	E	86.8	Confident	80.7	Confident	133 Å²	133	64.3 Å²	64.3	62%	0.621	35%	0.348	S	S	*	.	H	α-helix	trans	-48.8	-42	-172.9	-161.2	65	-155.6	0	0	113.3	V95 K96	E93-V95 PolarHBondContact O-N 2.65Å; E93-V95 VanDerWaalsContact O-N 3.08Å; E93-K96 VanDerWaalsContact CD-CD 3.44Å; E93-K96 VanDerWaalsContact O-CB 3.25Å; E93-K96 WeakPolarHBondContact O-CB 3.11Å; E93-K96 PolarHBondContact O-N 2.76Å; E93-K96 VanDerWaalsContact OE1-CD 3.28Å; E93-K96 WeakPolarHBondContact OE1-CD 3.29Å; E93-K96 IonicContact OE1-NZ 3.16Å; E93-K96 PolarHBondContact OE1-NZ 3.15Å; E93-K96 WeakPolarHBondContact OE2-CD 3.21Å; E93-K96 IonicContact OE2-NZ 3.44Å; E93-K96 PolarHBondContact OE2-NZ 2.8Å
94	H	90.1	Very high	83.3	Confident	67 Å²	67	62.7 Å²	62.7	31%	0.31	35%	0.348	S	S	.	.	H	α-helix	trans	-67.7	-4.8	-178.8	76.7	-80.2	0	0	0	116.1	M92 Y769 D793 L797	M92-H94 PolarHBondContact O-N 2.76Å; H94-Y769 AromaticContact NE2-CE1 3.96Å; H94-D793 IonicContact CE1-OD2 3.44Å; H94-D793 PolarHBondContact CE1-OD2 3.42Å; H94-D793 IonicContact NE2-OD2 3.74Å; H94-L797 PolarHBondContact NE2-O 3.26Å
95	V	91.3	Very high	85.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-131.1	2.6	172.8	-66.7	0	0	0	0	113.8	R89 M92 E93 E97 S98 K99 Y769 P799	R89-V95 HydrophobicContact CG-CG2 4.39Å; R89-V95 WeakPolarHBondContact CG-O 3.49Å; R89-V95 PolarHBondContact NE-O 3.17Å; R89-V95 VanDerWaalsContact NE-O 3.08Å; M92-V95 HydrophobicContact CB-CG2 3.52Å; M92-V95 VanDerWaalsContact O-CG2 3.29Å; M92-V95 WeakPolarHBondContact O-CG2 3.48Å; M92-V95 PolarHBondContact O-N 2.74Å; M92-V95 HydrophobicContact SD-CG2 4.44Å; E93-V95 PolarHBondContact O-N 2.65Å; E93-V95 VanDerWaalsContact O-N 3.08Å; V95-E97 PolarHBondContact O-N 2.89Å; V95-S98 WeakPolarHBondContact CA-O 3.41Å; V95-S98 CarbonylContact O-C 3.59Å; V95-S98 PolarHBondContact O-N 2.76Å; V95-K99 HydrophobicContact CB-CB 4.32Å; V95-Y769 HydrophobicContact CB-CD1 4.26Å; V95-Y769 HydrophobicContact CB-CG 4.3Å; V95-Y769 HydrophobicContact CG1-CD1 3.84Å; V95-Y769 HydrophobicContact CG1-CD2 4.26Å; V95-Y769 HydrophobicContact CG1-CE1 3.73Å; V95-Y769 HydrophobicContact CG1-CE2 4.19Å; V95-Y769 HydrophobicContact CG1-CG 4.12Å; V95-Y769 HydrophobicContact CG2-CD1 3.69Å; V95-Y769 HydrophobicContact CG2-CE1 4.36Å; V95-Y769 HydrophobicContact CG2-CG 3.92Å; V95-P799 HydrophobicContact CG1-CG 3.67Å
96	K	87.9	Confident	88	Confident	102 Å²	102	65.1 Å²	65.1	44%	0.443	37%	0.367	S	S	.	.	H	α-helix	trans	-53.3	-53.5	-179	-175.1	175.9	177.1	-178.3	0	111.1	R89 M92 E93	R89-K96 PolarHBondContact NE-O 2.55Å; M92-K96 PolarHBondContact O-N 3.34Å; M92-K96 VanDerWaalsContact O-N 3.16Å; E93-K96 VanDerWaalsContact CD-CD 3.44Å; E93-K96 VanDerWaalsContact O-CB 3.25Å; E93-K96 WeakPolarHBondContact O-CB 3.11Å; E93-K96 PolarHBondContact O-N 2.76Å; E93-K96 VanDerWaalsContact OE1-CD 3.28Å; E93-K96 WeakPolarHBondContact OE1-CD 3.29Å; E93-K96 IonicContact OE1-NZ 3.16Å; E93-K96 PolarHBondContact OE1-NZ 3.15Å; E93-K96 WeakPolarHBondContact OE2-CD 3.21Å; E93-K96 IonicContact OE2-NZ 3.44Å; E93-K96 PolarHBondContact OE2-NZ 2.8Å
97	E	86.9	Confident	89.7	Confident	179 Å²	179	65.6 Å²	65.6	84%	0.836	37%	0.369	S	S	*	.	S	Bend	trans	-72.8	-53.1	175.8	-59.6	-176	156.9	0	0	111.9	R89 V95	R89-E97 PolarHBondContact NH2-O 2.84Å; V95-E97 PolarHBondContact O-N 2.89Å
98	S	90	Very high	90.7	Very high	58 Å²	58	67.3 Å²	67.3	41%	0.406	38%	0.378	S	S	.	.			trans	-144.1	136.2	-178.2	-176.6	0	0	0	0	113	V95 T100	V95-S98 WeakPolarHBondContact CA-O 3.41Å; V95-S98 CarbonylContact O-C 3.59Å; V95-S98 PolarHBondContact O-N 2.76Å; S98-T100 WeakPolarHBondContact OG-CB 3.5Å; S98-T100 PolarHBondContact OG-N 2.75Å; S98-T100 PolarHBondContact OG-OG1 2.92Å
99	K	92.8	Very high	91.7	Very high	1 Å²	1	67.3 Å²	67.3	0%	0.004	38%	0.378	C	S	.	.			trans	-102	14.8	170.9	67.4	-171.7	177.9	-167.7	0	113.3	V95 E255 D760 T764 R765 W768 Y769 D770 P799	V95-K99 HydrophobicContact CB-CB 4.32Å; K99-E255 WeakPolarHBondContact CE-OE1 3.49Å; K99-E255 IonicContact NZ-OE1 3.07Å; K99-E255 PolarHBondContact NZ-OE1 2.99Å; K99-D760 VanDerWaalsContact CE-O 3.26Å; K99-D760 WeakPolarHBondContact CE-O 3.44Å; K99-T764 WeakPolarHBondContact CE-OG1 3.27Å; K99-T764 VanDerWaalsContact NZ-CB 3.32Å; K99-T764 PolarHBondContact NZ-OG1 2.85Å; K99-T764 VanDerWaalsContact NZ-OG1 3.13Å; K99-R765 PolarHBondContact NZ-O 2.9Å; K99-W768 VanDerWaalsContact CD-O 3.28Å; K99-W768 WeakPolarHBondContact CD-O 3.45Å; K99-W768 PolarHBondContact NZ-O 3.21Å; K99-Y769 HydrophobicContact CB-CD2 3.94Å; K99-Y769 HydrophobicContact CB-CE2 4.46Å; K99-D770 IonicContact NZ-OD1 3.69Å; K99-D770 PolarHBondContact NZ-OD1 2.96Å; K99-P799 WeakPolarHBondContact O-CB 3.16Å
100	T	95.1	Very high	92.4	Very high	57 Å²	57	66.2 Å²	66.2	35%	0.35	38%	0.375	S	S	.	.			trans	-83.5	129.4	-173.2	-43.9	0	0	0	0	111.1	S98 D760 T761	S98-T100 WeakPolarHBondContact OG-CB 3.5Å; S98-T100 PolarHBondContact OG-N 2.75Å; S98-T100 PolarHBondContact OG-OG1 2.92Å; T100-D760 WeakPolarHBondContact CA-OD2 3.38Å; T100-T761 HydrophobicContact CG2-CG2 3.92Å
101	G	95.3	Very high	93.2	Very high	5 Å²	5	59.6 Å²	59.6	5%	0.052	34%	0.344	C	S	.	.			trans	-82	169.3	170.2	0	0	0	0	0	112.6	R449 D760	G101-R449 PolarHBondContact O-NE 3.23Å; G101-R449 VanDerWaalsContact O-NE 3.11Å; G101-D760 PolarHBondContact N-OD2 3.05Å
102	T	96.3	Very high	94	Very high	119 Å²	119	55.4 Å²	55.4	73%	0.73	31%	0.309	S	S	*	.			trans	-125.1	-21.4	-168.9	53.2	0	0	0	0	114.5	D800	T102-D800 PolarHBondContact N-OD1 3.34Å
103	S	96.6	Very high	94.4	Very high	32 Å²	32	55 Å²	55	22%	0.224	31%	0.307	C	S	.	.			trans	-77.2	153.5	-179.5	-65	0	0	0	0	112.4	R449 D800 R804	S103-R449 PolarHBondContact O-NH1 2.78Å; S103-D800 WeakPolarHBondContact CA-OD1 3.1Å; S103-D800 WeakPolarHBondContact CB-OD1 3.39Å; S103-D800 WeakPolarHBondContact CB-OD2 3.26Å; S103-D800 PolarHBondContact N-OD1 2.83Å; S103-D800 VanDerWaalsContact OG-CG 3.27Å; S103-D800 PolarHBondContact OG-OD1 3.02Å; S103-D800 PolarHBondContact OG-OD2 3.18Å; S103-R804 PolarHBondContact OG-NH1 2.86Å
104	G	95.9	Very high	94.8	Very high	40 Å²	40	48.6 Å²	48.6	41%	0.412	28%	0.278	S	S	.	.	S	Bend	trans	96.4	162.6	173.2	0	0	0	0	0	114.1	V450	G104-V450 CarbonylContact C-O 3.59Å; G104-V450 WeakPolarHBondContact CA-O 3.36Å
105	A	97.3	Very high	95.1	Very high	66 Å²	66	49.3 Å²	49.3	55%	0.545	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	136.3	-177.8	0	0	0	0	0	111.5	R449 V450	A105-R449 CarbonylContact O-C 3.52Å; A105-R449 WeakPolarHBondContact O-CA 3.34Å; A105-V450 PolarHBondContact N-O 2.89Å; A105-V450 PolarHBondContact O-N 3.46Å
106	T	97.4	Very high	95.1	Very high	109 Å²	109	50.3 Å²	50.3	67%	0.669	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	135.9	177.6	-59.7	0	0	0	0	111.9	T447	T106-T447 HydrophobicContact CG2-CG2 3.38Å
107	I	97.1	Very high	95.2	Very high	26 Å²	26	49.1 Å²	49.1	13%	0.133	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	136.9	176.1	-173.8	167.8	0	0	0	111	L109 G448 V450 T744 P754 T757	I107-L109 HydrophobicContact CD1-CD2 4.12Å; I107-L109 HydrophobicContact CG1-CD2 4.06Å; I107-L109 HydrophobicContact CG2-CD1 4.35Å; I107-L109 HydrophobicContact CG2-CD2 4.18Å; I107-L109 HydrophobicContact CG2-CG 4.16Å; I107-G448 PolarHBondContact N-O 3.37Å; I107-G448 PolarHBondContact O-N 2.92Å; I107-V450 HydrophobicContact CB-CG2 3.86Å; I107-V450 HydrophobicContact CD1-CG2 3.95Å; I107-V450 HydrophobicContact CG2-CG2 3.61Å; I107-T744 HydrophobicContact CD1-CG2 4.48Å; I107-P754 HydrophobicContact CD1-CG 4.07Å; I107-T757 HydrophobicContact CG2-CG2 4.08Å
108	K	97.9	Very high	95.1	Very high	148 Å²	148	43.3 Å²	43.3	64%	0.643	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	131.8	170.9	-67	-63.8	-179.5	-177.5	0	109.7	T447 T744	K108-T447 HydrophobicContact CD-CG2 4.43Å; K108-T447 PolarHBondContact NZ-OG1 3.44Å; K108-T744 PolarHBondContact O-OG1 2.9Å
109	L	98	Very high	94.7	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.016	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	156.7	-174.8	-61.5	174	0	0	0	110.1	I107 N445 L446 F743 P753 T757 I759	I107-L109 HydrophobicContact CD1-CD2 4.12Å; I107-L109 HydrophobicContact CG1-CD2 4.06Å; I107-L109 HydrophobicContact CG2-CD1 4.35Å; I107-L109 HydrophobicContact CG2-CD2 4.18Å; I107-L109 HydrophobicContact CG2-CG 4.16Å; L109-N445 WeakPolarHBondContact O-CA 3.49Å; L109-L446 HydrophobicContact CB-CD2 3.81Å; L109-L446 HydrophobicContact CB-CG 4.21Å; L109-L446 PolarHBondContact N-O 2.92Å; L109-L446 PolarHBondContact O-N 3.09Å; L109-F743 WeakPolarHBondContact CA-O 3.03Å; L109-P753 HydrophobicContact CD2-CB 4.06Å; L109-P753 HydrophobicContact CD2-CG 3.91Å; L109-T757 HydrophobicContact CD1-CG2 3.84Å; L109-T757 HydrophobicContact CD2-CG2 4.28Å; L109-I759 HydrophobicContact CD1-CD1 4.03Å; L109-I759 HydrophobicContact CD1-CG1 3.57Å
110	T	97.4	Very high	93.8	Very high	9 Å²	9	54.4 Å²	54.4	6%	0.055	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.2	165.7	-52.1	0	0	0	0	108.1	L443 L444 N445 F742 F743 F750	T110-L443 HydrophobicContact CG2-CB 3.48Å; T110-L443 VanDerWaalsContact CG2-CB 3.48Å; T110-L443 HydrophobicContact CG2-CD1 4.13Å; T110-L443 HydrophobicContact CG2-CG 4.48Å; T110-L444 CarbonylContact C-O 3.49Å; T110-L444 WeakPolarHBondContact CA-O 3.46Å; T110-N445 PolarHBondContact OG1-OD1 3.3Å; T110-F742 WeakPolarHBondContact O-CA 3.49Å; T110-F743 PolarHBondContact N-O 2.8Å; T110-F743 WeakPolarHBondContact O-CD2 3.16Å; T110-F743 PolarHBondContact O-N 3.16Å; T110-F750 HydrophobicContact CG2-CE1 4.3Å
111	A	97.6	Very high	92.9	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	154	179	0	0	0	0	0	111.5	F113 L444 L446 R741 F742 V763	A111-F113 HydrophobicContact CB-CD2 3.66Å; A111-F113 HydrophobicContact CB-CE2 4.24Å; A111-F113 HydrophobicContact CB-CG 4.4Å; A111-F113 PolarHBondContact O-N 3.16Å; A111-L444 HydrophobicContact CB-CB 4.46Å; A111-L444 HydrophobicContact CB-CD2 4.35Å; A111-L444 PolarHBondContact N-O 3.02Å; A111-L446 HydrophobicContact CB-CD2 3.64Å; A111-R741 WeakPolarHBondContact CA-O 3.32Å; A111-F742 HydrophobicContact CB-CD1 3.67Å; A111-F742 HydrophobicContact CB-CE1 3.71Å; A111-V763 HydrophobicContact CB-CG1 4.27Å
112	N	97.4	Very high	92.5	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.335	C	S	.	.	S	Bend	trans	-76.6	46.9	177	70.5	-35.7	0	0	0	114.4	T262 L415 S739 S740 R741 F743	N112-T262 VanDerWaalsContact CB-O 3.3Å; N112-T262 WeakPolarHBondContact CB-O 3.36Å; N112-T262 PolarHBondContact ND2-O 3.26Å; N112-T262 PolarHBondContact O-N 2.87Å; N112-L415 HydrophobicContact CB-CD1 3.59Å; N112-S739 PolarHBondContact ND2-O 3.03Å; N112-S740 WeakPolarHBondContact OD1-CA 3.4Å; N112-R741 HydrophobicContact CB-CB 4.15Å; N112-R741 PolarHBondContact N-O 3Å; N112-R741 VanDerWaalsContact N-O 3.17Å; N112-R741 PolarHBondContact OD1-N 2.82Å; N112-R741 PolarHBondContact OD1-O 2.96Å; N112-F743 HydrophobicContact CB-CE2 4.44Å
113	F	97.3	Very high	92.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136.7	-173.6	-71.3	-122.7	0	0	0	109.2	A111 Y254 M259 M260 C261 L444 V763	A111-F113 HydrophobicContact CB-CD2 3.66Å; A111-F113 HydrophobicContact CB-CE2 4.24Å; A111-F113 HydrophobicContact CB-CG 4.4Å; A111-F113 PolarHBondContact O-N 3.16Å; F113-Y254 HydrophobicContact CD1-CE2 4.19Å; F113-Y254 HydrophobicContact CE1-CD1 4.31Å; F113-Y254 HydrophobicContact CE1-CD2 4.4Å; F113-Y254 AromaticContact CE1-CE1 3.78Å; F113-Y254 HydrophobicContact CE1-CE1 3.78Å; F113-Y254 AromaticContact CE1-CE2 3.89Å; F113-Y254 HydrophobicContact CE1-CE2 3.89Å; F113-Y254 AromaticContact CE1-CZ 3.53Å; F113-Y254 HydrophobicContact CZ-CE1 4.5Å; F113-M259 HydrophobicContact CB-SD 4.19Å; F113-M259 HydrophobicContact CD1-CB 4.08Å; F113-M259 HydrophobicContact CD1-CE 4.22Å; F113-M259 HydrophobicContact CD1-SD 4.22Å; F113-M260 WeakPolarHBondContact CA-O 3.47Å; F113-C261 HydrophobicContact CD1-CB 4.19Å; F113-C261 HydrophobicContact CE1-CB 4Å; F113-C261 HydrophobicContact CE2-CB 4.34Å; F113-C261 HydrophobicContact CG-CB 4.46Å; F113-C261 HydrophobicContact CZ-CB 4.08Å; F113-L444 HydrophobicContact CB-CB 3.96Å; F113-L444 HydrophobicContact CB-CD2 4.26Å; F113-L444 PolarHBondContact O-N 2.67Å; F113-V763 HydrophobicContact CD1-CB 4.42Å; F113-V763 HydrophobicContact CD1-CG1 3.9Å; F113-V763 HydrophobicContact CD2-CG1 4.12Å; F113-V763 HydrophobicContact CE1-CB 3.84Å; F113-V763 HydrophobicContact CE1-CG1 3.81Å; F113-V763 HydrophobicContact CE2-CB 4.31Å; F113-V763 HydrophobicContact CE2-CG1 4.06Å; F113-V763 HydrophobicContact CG-CG1 4.06Å; F113-V763 HydrophobicContact CZ-CB 3.79Å; F113-V763 HydrophobicContact CZ-CG1 3.91Å
114	F	96.2	Very high	92	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133.4	169.5	-59.2	-82.8	0	0	0	108.8	M259 M260 L415 I419 D440 K442 L443	F114-M259 WeakPolarHBondContact O-CA 3.29Å; F114-M260 HydrophobicContact CB-CE 4.37Å; F114-M260 HydrophobicContact CD2-CE 3.98Å; F114-M260 HydrophobicContact CG-CE 4.5Å; F114-M260 PolarHBondContact N-O 3.23Å; F114-M260 PolarHBondContact O-N 3.46Å; F114-L415 HydrophobicContact CZ-CB 4.31Å; F114-I419 HydrophobicContact CB-CD1 4.37Å; F114-I419 HydrophobicContact CD1-CB 4.17Å; F114-I419 HydrophobicContact CD1-CD1 3.96Å; F114-I419 HydrophobicContact CD1-CG1 3.75Å; F114-I419 HydrophobicContact CD1-CG2 4.44Å; F114-I419 HydrophobicContact CD2-CD1 4.09Å; F114-I419 HydrophobicContact CE1-CB 3.62Å; F114-I419 HydrophobicContact CE1-CD1 4.22Å; F114-I419 HydrophobicContact CE1-CG1 3.74Å; F114-I419 HydrophobicContact CE1-CG2 3.67Å; F114-I419 HydrophobicContact CE2-CB 4.39Å; F114-I419 HydrophobicContact CE2-CD1 4.34Å; F114-I419 HydrophobicContact CG-CD1 3.88Å; F114-I419 HydrophobicContact CG-CG1 4.21Å; F114-I419 HydrophobicContact CZ-CB 3.73Å; F114-I419 HydrophobicContact CZ-CD1 4.39Å; F114-I419 HydrophobicContact CZ-CG1 4.18Å; F114-I419 HydrophobicContact CZ-CG2 4.07Å; F114-D440 WeakPolarHBondContact CD1-O 3.4Å; F114-K442 WeakPolarHBondContact CD1-O 3.5Å; F114-L443 HydrophobicContact CD1-CD2 4.21Å; F114-L443 HydrophobicContact CD2-CD2 4.37Å; F114-L443 HydrophobicContact CE1-CD2 3.59Å; F114-L443 HydrophobicContact CE1-CG 4.12Å; F114-L443 HydrophobicContact CE2-CD2 3.77Å; F114-L443 HydrophobicContact CZ-CD2 3.34Å; F114-L443 HydrophobicContact CZ-CG 4.18Å
115	R	95.1	Very high	91.8	Very high	82 Å²	82	56.4 Å²	56.4	31%	0.309	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	142.8	175.6	-64	-179.7	171.1	149.4	-3.2	109.9	L117 M259 D440 L444 E762	R115-L117 HydrophobicContact CB-CD2 4.35Å; R115-M259 HydrophobicContact CG-CG 4.1Å; R115-M259 HydrophobicContact CG-SD 4.02Å; R115-D440 HydrophobicContact CB-CB 4.05Å; R115-D440 PolarHBondContact O-N 3.2Å; R115-L444 HydrophobicContact CG-CD1 4.42Å; R115-L444 VanDerWaalsContact CZ-CD1 3.49Å; R115-L444 VanDerWaalsContact NH2-CD1 3.29Å; R115-E762 IonicContact NH2-OE2 3.87Å; R115-E762 PolarHBondContact NH2-OE2 3.1Å; R115-E762 VanDerWaalsContact NH2-OE2 3.09Å
116	I	92.1	Very high	91.7	Very high	21 Å²	21	54.3 Å²	54.3	11%	0.108	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	114.3	168.3	-57.3	-167	0	0	0	107.3	I251 I258 F439	I116-I251 HydrophobicContact CD1-CB 4.35Å; I116-I251 HydrophobicContact CD1-CD1 3.85Å; I116-I251 HydrophobicContact CD1-CG1 4Å; I116-I251 HydrophobicContact CD1-CG2 3.44Å; I116-I251 VanDerWaalsContact CD1-CG2 3.44Å; I116-I258 HydrophobicContact CB-CG2 4.48Å; I116-I258 HydrophobicContact CD1-CG2 4.15Å; I116-I258 HydrophobicContact CG1-CG2 4.47Å; I116-I258 PolarHBondContact N-O 3.43Å; I116-F439 HydrophobicContact CD1-CE1 4.02Å; I116-F439 HydrophobicContact CG1-CD1 4.09Å; I116-F439 HydrophobicContact CG1-CE1 3.78Å
117	L	90.1	Very high	91.6	Very high	76 Å²	76	49.1 Å²	49.1	40%	0.398	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	140.6	176.6	-53.5	179.4	0	0	0	108.3	R115 L437 S438	R115-L117 HydrophobicContact CB-CD2 4.35Å; L117-L437 CarbonylContact O-C 3.47Å; L117-L437 WeakPolarHBondContact O-CA 3.47Å; L117-S438 WeakPolarHBondContact CB-OG 3.48Å; L117-S438 PolarHBondContact N-O 3.27Å; L117-S438 PolarHBondContact O-N 3.2Å
118	S	84.9	Confident	91.6	Very high	57 Å²	57	51.2 Å²	51.2	40%	0.399	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	160.3	178.3	58.6	0	0	0	0	109.6
119	R	81	Confident	91.5	Very high	166 Å²	166	44.3 Å²	44.3	63%	0.626	22%	0.216	S	C	*	.			trans	-62.4	152.3	175.6	-63.7	-179.3	-176.7	-178	1.5	110.8	Q121 W122 G436	R119-Q121 PolarHBondContact O-N 3.23Å; R119-W122 WeakPolarHBondContact O-CB 3.35Å; R119-W122 PolarHBondContact O-N 2.9Å; R119-G436 PolarHBondContact N-O 3.24Å
120	P	73.9	Confident	91.3	Very high	126 Å²	126	48 Å²	48	82%	0.818	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.3	141.4	168.7	-25.6	34.9	0	0	0	111.3	W122	P120-W122 PolarHBondContact O-N 3.46Å
121	Q	75.7	Confident	91.1	Very high	188 Å²	188	48.4 Å²	48.4	88%	0.879	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	28.5	-179.6	-58.2	177.8	-17.3	0	0	115.1	R119 I123	R119-Q121 PolarHBondContact O-N 3.23Å; Q121-I123 PolarHBondContact O-N 3.16Å
122	W	87.1	Confident	90.7	Very high	20 Å²	20	55 Å²	55	8%	0.076	27%	0.265	C	S	.	.			trans	-60.4	128.1	176	-168.7	98.8	0	0	0	112.3	R119 P120 L124 P198 C203 F206 Y207 W435 L437	R119-W122 WeakPolarHBondContact O-CB 3.35Å; R119-W122 PolarHBondContact O-N 2.9Å; P120-W122 PolarHBondContact O-N 3.46Å; W122-L124 HydrophobicContact CH2-CB 3.71Å; W122-L124 HydrophobicContact CH2-CD1 3.99Å; W122-L124 HydrophobicContact CH2-CG 4.3Å; W122-L124 HydrophobicContact CZ2-CD1 4.39Å; W122-L124 HydrophobicContact CZ3-CB 3.71Å; W122-P198 HydrophobicContact CE3-CB 4.46Å; W122-P198 HydrophobicContact CE3-CG 4.05Å; W122-P198 WeakPolarHBondContact O-CD 3.43Å; W122-P198 WeakPolarHBondContact O-CG 3.35Å; W122-C203 WeakPolarHBondContact CZ3-SG 3.37Å; W122-F206 HydrophobicContact CH2-CE1 4.39Å; W122-Y207 AromaticContact CH2-CE1 3.61Å; W122-Y207 HydrophobicContact CH2-CE1 3.61Å; W122-Y207 AromaticContact CH2-CZ 3.9Å; W122-Y207 HydrophobicContact CZ2-CE1 4.04Å; W122-Y207 HydrophobicContact CZ3-CE1 4.11Å; W122-Y207 AromaticContact CZ3-CZ 3.9Å; W122-Y207 WeakPolarHBondContact CZ3-OH 3.45Å; W122-W435 PolarHBondContact NE1-O 2.79Å; W122-L437 HydrophobicContact CD2-CD2 4.43Å; W122-L437 HydrophobicContact CZ2-CD1 4.47Å; W122-L437 HydrophobicContact CZ2-CD2 4.01Å; W122-L437 HydrophobicContact CZ2-CG 4.44Å
123	I	89.5	Confident	90.3	Very high	51 Å²	51	57.8 Å²	57.8	26%	0.262	28%	0.284	S	S	.	.			trans	-133.7	140.5	179.2	-68.3	170.4	0	0	0	108.4	Q121 Y125 E195	Q121-I123 PolarHBondContact O-N 3.16Å; I123-Y125 HydrophobicContact CB-CE2 3.93Å; I123-Y125 HydrophobicContact CG2-CD1 4.28Å; I123-Y125 HydrophobicContact CG2-CD2 4.19Å; I123-Y125 HydrophobicContact CG2-CE1 3.89Å; I123-Y125 HydrophobicContact CG2-CE2 3.82Å; I123-Y125 HydrophobicContact CG2-CG 4.41Å; I123-E195 HydrophobicContact CG2-CB 4.01Å
124	L	92.3	Very high	89.6	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	115.4	171.6	-172.1	70.2	0	0	0	109.9	W122 F164 L196 F206 W435	W122-L124 HydrophobicContact CH2-CB 3.71Å; W122-L124 HydrophobicContact CH2-CD1 3.99Å; W122-L124 HydrophobicContact CH2-CG 4.3Å; W122-L124 HydrophobicContact CZ2-CD1 4.39Å; W122-L124 HydrophobicContact CZ3-CB 3.71Å; L124-F164 HydrophobicContact CD1-CB 4.13Å; L124-F164 HydrophobicContact CD2-CB 4.49Å; L124-F164 HydrophobicContact CD2-CD1 3.72Å; L124-F164 HydrophobicContact CD2-CE1 4.38Å; L124-F164 HydrophobicContact CD2-CG 4.41Å; L124-F164 HydrophobicContact CG-CB 4.35Å; L124-F164 HydrophobicContact CG-CD1 4.02Å; L124-L196 HydrophobicContact CB-CB 4.24Å; L124-L196 HydrophobicContact CD2-CD1 4.34Å; L124-L196 PolarHBondContact N-O 3.41Å; L124-L196 VanDerWaalsContact O-CB 3.3Å; L124-L196 WeakPolarHBondContact O-CB 3.3Å; L124-L196 PolarHBondContact O-N 2.93Å; L124-F206 HydrophobicContact CD1-CD1 4.05Å; L124-F206 HydrophobicContact CD1-CE1 3.66Å; L124-F206 HydrophobicContact CD1-CE2 4.19Å; L124-F206 HydrophobicContact CD1-CG 4.48Å; L124-F206 HydrophobicContact CD1-CZ 3.78Å; L124-F206 HydrophobicContact CD2-CB 3.89Å; L124-F206 HydrophobicContact CD2-CD1 3.57Å; L124-F206 HydrophobicContact CD2-CD2 3.97Å; L124-F206 HydrophobicContact CD2-CE1 4.08Å; L124-F206 HydrophobicContact CD2-CE2 4.44Å; L124-F206 HydrophobicContact CD2-CG 3.52Å; L124-F206 HydrophobicContact CG-CD1 4.46Å; L124-W435 HydrophobicContact CD1-CE3 4.35Å; L124-W435 HydrophobicContact CD1-CZ3 3.97Å
125	Y	93.7	Very high	89	Confident	36 Å²	36	63.5 Å²	63.5	14%	0.141	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	123	-178.1	-60.9	-91.6	0	0	0	109.8	I123 Y127 F164 L165 H167 R168 L192 E195	I123-Y125 HydrophobicContact CB-CE2 3.93Å; I123-Y125 HydrophobicContact CG2-CD1 4.28Å; I123-Y125 HydrophobicContact CG2-CD2 4.19Å; I123-Y125 HydrophobicContact CG2-CE1 3.89Å; I123-Y125 HydrophobicContact CG2-CE2 3.82Å; I123-Y125 HydrophobicContact CG2-CG 4.41Å; Y125-Y127 VanDerWaalsContact CB-CE2 3.49Å; Y125-F164 WeakPolarHBondContact O-CA 3.37Å; Y125-L165 PolarHBondContact N-O 3.18Å; Y125-L165 PolarHBondContact O-N 3.26Å; Y125-H167 WeakPolarHBondContact CD2-O 3.12Å; Y125-R168 HydrophobicContact CD1-CB 3.9Å; Y125-R168 HydrophobicContact CD1-CG 4.05Å; Y125-R168 HydrophobicContact CE1-CB 3.59Å; Y125-R168 HydrophobicContact CE1-CG 3.91Å; Y125-R168 HydrophobicContact CE2-CB 4.34Å; Y125-R168 HydrophobicContact CG-CB 4.4Å; Y125-L192 HydrophobicContact CD1-CD1 4.28Å; Y125-E195 HydrophobicContact CD1-CG 3.87Å; Y125-E195 HydrophobicContact CE1-CG 3.93Å; Y125-E195 WeakPolarHBondContact CE1-OE1 3.37Å
126	Q	94.8	Very high	88.1	Confident	22 Å²	22	68.2 Å²	68.2	10%	0.103	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	122.7	-179.9	-175.4	-168.2	-77.4	0	0	110.9	L162 F164 T193 N194 L196	Q126-L162 HydrophobicContact CG-CD2 4.38Å; Q126-F164 HydrophobicContact CB-CD1 4.01Å; Q126-F164 HydrophobicContact CB-CE1 3.86Å; Q126-F164 HydrophobicContact CG-CD1 4.05Å; Q126-F164 HydrophobicContact CG-CE1 3.55Å; Q126-F164 HydrophobicContact CG-CZ 3.98Å; Q126-T193 PolarHBondContact NE2-OG1 3.43Å; Q126-T193 PolarHBondContact O-N 2.89Å; Q126-T193 PolarHBondContact O-OG1 2.85Å; Q126-N194 HydrophobicContact CB-CB 4.27Å; Q126-N194 PolarHBondContact N-O 2.97Å; Q126-N194 PolarHBondContact NE2-ND2 3.19Å; Q126-N194 VanDerWaalsContact NE2-ND2 3.16Å; Q126-N194 PolarHBondContact O-N 3.35Å; Q126-L196 HydrophobicContact CB-CD1 3.99Å; Q126-L196 HydrophobicContact CB-CG 4.44Å
127	Y	95.6	Very high	87.8	Confident	1 Å²	1	70.1 Å²	70.1	0%	0.004	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	146.2	178.9	-51.6	-102.3	0	0	0	110.7	Y125 L162 L163 L165 H167 R168 L169 V190 T191 L192	Y125-Y127 VanDerWaalsContact CB-CE2 3.49Å; Y127-L162 WeakPolarHBondContact O-CA 3.42Å; Y127-L163 PolarHBondContact N-O 2.68Å; Y127-L163 PolarHBondContact O-N 3.26Å; Y127-L165 HydrophobicContact CD2-CD1 4.25Å; Y127-L165 HydrophobicContact CD2-CG 4.31Å; Y127-L165 HydrophobicContact CE2-CB 4.03Å; Y127-L165 HydrophobicContact CE2-CD1 3.69Å; Y127-L165 HydrophobicContact CE2-CG 3.92Å; Y127-H167 PolarHBondContact OH-O 2.98Å; Y127-R168 WeakPolarHBondContact OH-CA 3.25Å; Y127-L169 HydrophobicContact CD1-CD1 4.09Å; Y127-L169 HydrophobicContact CE1-CB 4.06Å; Y127-L169 HydrophobicContact CE1-CD1 3.72Å; Y127-L169 HydrophobicContact CE1-CG 3.82Å; Y127-L169 PolarHBondContact OH-N 2.96Å; Y127-V190 HydrophobicContact CD1-CG1 3.86Å; Y127-V190 HydrophobicContact CG-CG1 3.89Å; Y127-T191 CarbonylContact C-O 3.56Å; Y127-T191 WeakPolarHBondContact CA-O 3.06Å; Y127-T191 WeakPolarHBondContact CB-O 3.41Å; Y127-L192 HydrophobicContact CD1-CB 3.85Å; Y127-L192 HydrophobicContact CD1-CD1 4.13Å; Y127-L192 HydrophobicContact CE1-CB 3.78Å; Y127-L192 HydrophobicContact CE1-CD1 3.75Å; Y127-L192 HydrophobicContact CE1-CG 4.3Å; Y127-L192 HydrophobicContact CE2-CD1 4.4Å
128	H	95.9	Very high	87.5	Confident	70 Å²	70	73 Å²	73	32%	0.324	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	150.2	159.4	-161.3	39	0	0	0	109.2	D130 A161 V190 T191 T193	H128-D130 IonicContact CD2-OD2 3.9Å; H128-D130 PolarHBondContact CD2-OD2 3.27Å; H128-D130 IonicContact NE2-OD1 3.2Å; H128-D130 IonicContact NE2-OD2 3.84Å; H128-A161 WeakPolarHBondContact CA-O 3.43Å; H128-A161 PolarHBondContact ND1-O 3.33Å; H128-V190 WeakPolarHBondContact O-CA 3.16Å; H128-T191 PolarHBondContact N-O 2.91Å; H128-T191 PolarHBondContact O-N 3.23Å; H128-T193 HydrophobicContact CB-CG2 3.84Å
129	V	95.5	Very high	87.5	Confident	3 Å²	3	80.8 Å²	80.8	2%	0.018	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	107.4	176.5	-170.8	0	0	0	0	110.2	F131 L145 F158 A161 L163 I188 T189 V190	V129-F131 HydrophobicContact CB-CE2 4.17Å; V129-F131 HydrophobicContact CG1-CD2 4.34Å; V129-F131 HydrophobicContact CG1-CE1 4.45Å; V129-F131 HydrophobicContact CG1-CE2 3.52Å; V129-F131 HydrophobicContact CG1-CZ 3.59Å; V129-L145 HydrophobicContact CG1-CD1 3.97Å; V129-L145 HydrophobicContact CG1-CD2 4.27Å; V129-L145 HydrophobicContact CG2-CD2 4.25Å; V129-F158 HydrophobicContact CB-CE2 3.71Å; V129-F158 HydrophobicContact CB-CZ 4.13Å; V129-F158 HydrophobicContact CG1-CE2 4.31Å; V129-F158 HydrophobicContact CG1-CZ 4.31Å; V129-F158 HydrophobicContact CG2-CD2 4.19Å; V129-F158 HydrophobicContact CG2-CE2 3.68Å; V129-F158 HydrophobicContact CG2-CZ 4.47Å; V129-A161 PolarHBondContact N-O 3.42Å; V129-L163 HydrophobicContact CG2-CB 3.57Å; V129-L163 HydrophobicContact CG2-CD2 4.27Å; V129-I188 HydrophobicContact CG1-CG2 3.51Å; V129-T189 WeakPolarHBondContact CA-O 3.32Å; V129-V190 HydrophobicContact CG1-CG2 4.24Å; V129-V190 HydrophobicContact CG2-CG1 4.48Å; V129-V190 HydrophobicContact CG2-CG2 4.38Å
130	D	94.2	Very high	87.8	Confident	80 Å²	80	76.1 Å²	76.1	43%	0.428	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	154.4	174.1	-80.7	-59.5	0	0	0	111.6	H128 I188 T189	H128-D130 IonicContact CD2-OD2 3.9Å; H128-D130 PolarHBondContact CD2-OD2 3.27Å; H128-D130 IonicContact NE2-OD1 3.2Å; H128-D130 IonicContact NE2-OD2 3.84Å; D130-I188 WeakPolarHBondContact O-CA 3.49Å; D130-T189 PolarHBondContact N-O 3.45Å; D130-T189 PolarHBondContact O-N 3Å
131	F	92.9	Very high	88.6	Confident	17 Å²	17	72.8 Å²	72.8	8%	0.075	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	132.3	-178.6	-61.6	-100.1	0	0	0	109.7	V129 P133 M135 R141 L145 F158 V186 L187 I188	V129-F131 HydrophobicContact CB-CE2 4.17Å; V129-F131 HydrophobicContact CG1-CD2 4.34Å; V129-F131 HydrophobicContact CG1-CE1 4.45Å; V129-F131 HydrophobicContact CG1-CE2 3.52Å; V129-F131 HydrophobicContact CG1-CZ 3.59Å; F131-P133 CarbonylContact C-O 3.51Å; F131-P133 CarbonylContact O-C 3.46Å; F131-M135 HydrophobicContact CB-CE 3.66Å; F131-M135 HydrophobicContact CD1-CE 3.3Å; F131-M135 HydrophobicContact CE1-CE 4.17Å; F131-M135 HydrophobicContact CG-CE 3.72Å; F131-R141 HydrophobicContact CD1-CG 4.15Å; F131-R141 HydrophobicContact CD2-CB 4.48Å; F131-R141 HydrophobicContact CD2-CG 3.77Å; F131-R141 HydrophobicContact CE1-CB 3.99Å; F131-R141 HydrophobicContact CE1-CG 4Å; F131-R141 HydrophobicContact CE2-CB 3.84Å; F131-R141 VanDerWaalsContact CE2-CD 3.49Å; F131-R141 HydrophobicContact CE2-CG 3.63Å; F131-R141 HydrophobicContact CG-CG 4.05Å; F131-R141 HydrophobicContact CZ-CB 3.56Å; F131-R141 HydrophobicContact CZ-CG 3.75Å; F131-L145 HydrophobicContact CZ-CB 4.41Å; F131-F158 AromaticContact CE2-CZ 3.9Å; F131-F158 HydrophobicContact CE2-CZ 3.9Å; F131-F158 HydrophobicContact CZ-CE1 4.21Å; F131-F158 AromaticContact CZ-CZ 3.87Å; F131-F158 HydrophobicContact CZ-CZ 3.87Å; F131-V186 HydrophobicContact CD1-CG1 4.12Å; F131-L187 CarbonylContact C-O 3.52Å; F131-L187 WeakPolarHBondContact CA-O 3.09Å; F131-I188 HydrophobicContact CD1-CB 4.45Å; F131-I188 HydrophobicContact CD1-CD1 4.13Å; F131-I188 HydrophobicContact CD1-CG1 3.77Å; F131-I188 HydrophobicContact CD1-CG2 4.17Å; F131-I188 HydrophobicContact CE1-CD1 3.79Å; F131-I188 HydrophobicContact CE1-CG1 3.9Å; F131-I188 HydrophobicContact CE1-CG2 3.91Å; F131-I188 HydrophobicContact CZ-CG2 4.24Å
132	K	90.6	Very high	89.3	Confident	139 Å²	139	64.8 Å²	64.8	60%	0.604	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.5	120.7	171.1	-61.6	-179.9	-175.4	171.2	0	109.1	V186 L187	K132-V186 WeakPolarHBondContact O-CA 3.18Å; K132-L187 HydrophobicContact CB-CB 4.27Å; K132-L187 HydrophobicContact CD-CD2 4.32Å; K132-L187 PolarHBondContact N-O 3.3Å; K132-L187 PolarHBondContact O-N 2.96Å
133	P	87.4	Confident	89.4	Confident	59 Å²	59	66.6 Å²	66.6	38%	0.383	34%	0.336	S	S	.	.	S	Bend	cis	-63.5	158.8	-3.8	27.1	-33.9	0	0	0	113.2	F131 E184	F131-P133 CarbonylContact C-O 3.51Å; F131-P133 CarbonylContact O-C 3.46Å; P133-E184 HydrophobicContact CG-CG 4.49Å; P133-E184 WeakPolarHBondContact CG-OE1 3.43Å
134	A	84.3	Confident	89.5	Confident	96 Å²	96	64.4 Å²	64.4	79%	0.793	33%	0.325	S	S	*	.			trans	-69.7	135.9	-177.5	0	0	0	0	0	111.2
135	M	82.8	Confident	89.5	Confident	24 Å²	24	64.4 Å²	64.4	12%	0.118	33%	0.325	C	S	.	.			trans	-127.8	118.4	-175.5	-72.5	179.5	-78.7	0	0	112.9	F131 L140 R141 L144 V186	F131-M135 HydrophobicContact CB-CE 3.66Å; F131-M135 HydrophobicContact CD1-CE 3.3Å; F131-M135 HydrophobicContact CE1-CE 4.17Å; F131-M135 HydrophobicContact CG-CE 3.72Å; M135-L140 HydrophobicContact CG-CD2 4.41Å; M135-L140 HydrophobicContact SD-CD2 3.57Å; M135-L140 VanDerWaalsContact SD-CD2 3.57Å; M135-L140 HydrophobicContact SD-CG 3.75Å; M135-R141 HydrophobicContact CB-CG 3.98Å; M135-R141 HydrophobicContact CE-CG 4.33Å; M135-R141 VanDerWaalsContact O-CD 3.3Å; M135-R141 WeakPolarHBondContact O-CD 3.14Å; M135-R141 VanDerWaalsContact O-CZ 3.26Å; M135-R141 PolarHBondContact O-NE 3.21Å; M135-R141 PolarHBondContact O-NH2 3.35Å; M135-L144 HydrophobicContact CE-CD1 3.55Å; M135-L144 HydrophobicContact SD-CD1 3.53Å; M135-L144 VanDerWaalsContact SD-CD1 3.53Å; M135-V186 HydrophobicContact CE-CB 4.48Å; M135-V186 HydrophobicContact CE-CG1 3.49Å; M135-V186 VanDerWaalsContact CE-CG1 3.49Å; M135-V186 HydrophobicContact CE-CG2 4.19Å
136	E	77.1	Confident	89.5	Confident	180 Å²	180	66 Å²	66	84%	0.841	33%	0.333	S	S	*	.			trans	-66.3	-40.6	175.9	-56.7	-164.6	145.7	0	0	112.5	R138 R141	E136-R138 PolarHBondContact O-N 3.18Å; E136-R141 PolarHBondContact O-NH2 2.84Å
137	S	84.3	Confident	89.3	Confident	61 Å²	61	70 Å²	70	43%	0.427	35%	0.351	S	S	.	.			trans	-64.8	102.1	-173.3	179.6	0	0	0	0	112.5	R139 L140 R141	S137-R139 PolarHBondContact O-N 3.42Å; S137-L140 PolarHBondContact O-N 2.87Å; S137-L140 VanDerWaalsContact O-N 3.07Å; S137-L140 PolarHBondContact OG-N 3.1Å; S137-R141 PolarHBondContact O-N 3.25Å
138	R	83.8	Confident	89.2	Confident	138 Å²	138	71.5 Å²	71.5	52%	0.521	36%	0.358	S	S	.	.	H	α-helix	trans	-52.8	-36.3	173.2	174.4	-179.8	168.2	153.3	-1.2	112.5	E136 S142 F158 D159	E136-R138 PolarHBondContact O-N 3.18Å; R138-S142 WeakPolarHBondContact O-CB 3.29Å; R138-S142 PolarHBondContact O-N 3.35Å; R138-S142 PolarHBondContact O-OG 3.26Å; R138-F158 PolarHBondContact NH2-O 3.25Å; R138-D159 WeakPolarHBondContact CD-O 3.48Å; R138-D159 VanDerWaalsContact CZ-C 3.48Å; R138-D159 PolarHBondContact NE-O 2.96Å; R138-D159 PolarHBondContact NH1-O 2.96Å
139	R	86.1	Confident	88.9	Confident	220 Å²	220	70.6 Å²	70.6	83%	0.83	36%	0.36	S	S	*	.	H	α-helix	trans	-65.4	-44.7	178.2	-72.9	-177.3	177.8	169	-1.9	111.1	S137 S142 A143	S137-R139 PolarHBondContact O-N 3.42Å; R139-S142 PolarHBondContact O-N 3.18Å; R139-A143 WeakPolarHBondContact O-CB 3.43Å; R139-A143 PolarHBondContact O-N 3Å
140	L	86.3	Confident	88.5	Confident	67 Å²	67	79.8 Å²	79.8	35%	0.351	40%	0.402	S	S	.	.	H	α-helix	trans	-66.2	-49	177.6	-176.7	58.7	0	0	0	111.1	M135 S137 S142 A143 L144	M135-L140 HydrophobicContact CG-CD2 4.41Å; M135-L140 HydrophobicContact SD-CD2 3.57Å; M135-L140 VanDerWaalsContact SD-CD2 3.57Å; M135-L140 HydrophobicContact SD-CG 3.75Å; S137-L140 PolarHBondContact O-N 2.87Å; S137-L140 VanDerWaalsContact O-N 3.07Å; S137-L140 PolarHBondContact OG-N 3.1Å; L140-S142 VanDerWaalsContact C-N 3.26Å; L140-S142 PolarHBondContact O-N 3.43Å; L140-A143 PolarHBondContact O-N 3.09Å; L140-A143 VanDerWaalsContact O-N 3.07Å; L140-L144 HydrophobicContact CD1-CD1 3.87Å; L140-L144 HydrophobicContact CD1-CG 4.05Å; L140-L144 HydrophobicContact CG-CD1 3.79Å; L140-L144 HydrophobicContact CG-CG 4.41Å; L140-L144 WeakPolarHBondContact O-CG 3.27Å; L140-L144 PolarHBondContact O-N 3.44Å
141	R	89.9	Confident	88.3	Confident	57 Å²	57	79 Å²	79	22%	0.215	40%	0.4	C	S	.	.	H	α-helix	trans	-50.8	-45.3	172.6	-77.7	-172.1	-86.2	179.5	-18.5	112.5	F131 M135 E136 S137 L145 F158 G160	F131-R141 HydrophobicContact CD1-CG 4.15Å; F131-R141 HydrophobicContact CD2-CB 4.48Å; F131-R141 HydrophobicContact CD2-CG 3.77Å; F131-R141 HydrophobicContact CE1-CB 3.99Å; F131-R141 HydrophobicContact CE1-CG 4Å; F131-R141 HydrophobicContact CE2-CB 3.84Å; F131-R141 VanDerWaalsContact CE2-CD 3.49Å; F131-R141 HydrophobicContact CE2-CG 3.63Å; F131-R141 HydrophobicContact CG-CG 4.05Å; F131-R141 HydrophobicContact CZ-CB 3.56Å; F131-R141 HydrophobicContact CZ-CG 3.75Å; M135-R141 HydrophobicContact CB-CG 3.98Å; M135-R141 HydrophobicContact CE-CG 4.33Å; M135-R141 VanDerWaalsContact O-CD 3.3Å; M135-R141 WeakPolarHBondContact O-CD 3.14Å; M135-R141 VanDerWaalsContact O-CZ 3.26Å; M135-R141 PolarHBondContact O-NE 3.21Å; M135-R141 PolarHBondContact O-NH2 3.35Å; E136-R141 PolarHBondContact O-NH2 2.84Å; S137-R141 PolarHBondContact O-N 3.25Å; R141-L145 VanDerWaalsContact O-CB 3.27Å; R141-L145 WeakPolarHBondContact O-CB 3.26Å; R141-L145 PolarHBondContact O-N 3.48Å; R141-L145 VanDerWaalsContact O-N 3.09Å; R141-F158 HydrophobicContact CB-CE1 4.08Å; R141-F158 HydrophobicContact CB-CZ 4.46Å; R141-G160 PolarHBondContact NH1-O 3.32Å
142	S	90.9	Very high	88.2	Confident	20 Å²	20	78.2 Å²	78.2	14%	0.14	40%	0.397	C	S	.	.	H	α-helix	trans	-67.2	-42.7	178.1	-56.2	0	0	0	0	112.2	R138 R139 L140 F146	R138-S142 WeakPolarHBondContact O-CB 3.29Å; R138-S142 PolarHBondContact O-N 3.35Å; R138-S142 PolarHBondContact O-OG 3.26Å; R139-S142 PolarHBondContact O-N 3.18Å; L140-S142 VanDerWaalsContact C-N 3.26Å; L140-S142 PolarHBondContact O-N 3.43Å; S142-F146 WeakPolarHBondContact O-CB 3.27Å; S142-F146 WeakPolarHBondContact O-CD2 3.34Å; S142-F146 WeakPolarHBondContact O-CG 3.41Å; S142-F146 PolarHBondContact O-N 3.07Å; S142-F146 VanDerWaalsContact O-N 3.07Å
143	A	89.9	Confident	88	Confident	58 Å²	58	72.5 Å²	72.5	48%	0.479	38%	0.378	S	S	.	.	H	α-helix	trans	-64.8	-42.4	-179.8	0	0	0	0	0	112.4	R139 L140 F146 Q147	R139-A143 WeakPolarHBondContact O-CB 3.43Å; R139-A143 PolarHBondContact O-N 3Å; L140-A143 PolarHBondContact O-N 3.09Å; L140-A143 VanDerWaalsContact O-N 3.07Å; A143-F146 PolarHBondContact O-N 3.36Å; A143-Q147 PolarHBondContact O-N 3.45Å
144	L	91.4	Very high	87.9	Confident	5 Å²	5	75.1 Å²	75.1	3%	0.026	39%	0.393	C	S	.	.	H	α-helix	trans	-68.3	-52.3	178.9	-64.6	166	0	0	0	111.1	M135 L140 F146 Q147 S178 E179 T180 V186 I188	M135-L144 HydrophobicContact CE-CD1 3.55Å; M135-L144 HydrophobicContact SD-CD1 3.53Å; M135-L144 VanDerWaalsContact SD-CD1 3.53Å; L140-L144 HydrophobicContact CD1-CD1 3.87Å; L140-L144 HydrophobicContact CD1-CG 4.05Å; L140-L144 HydrophobicContact CG-CD1 3.79Å; L140-L144 HydrophobicContact CG-CG 4.41Å; L140-L144 WeakPolarHBondContact O-CG 3.27Å; L140-L144 PolarHBondContact O-N 3.44Å; L144-F146 PolarHBondContact O-N 2.83Å; L144-F146 VanDerWaalsContact O-N 3.12Å; L144-Q147 VanDerWaalsContact O-CB 3.28Å; L144-Q147 WeakPolarHBondContact O-CB 3.38Å; L144-Q147 WeakPolarHBondContact O-CG 3.38Å; L144-Q147 PolarHBondContact O-N 2.7Å; L144-Q147 PolarHBondContact O-OE1 2.96Å; L144-S178 PolarHBondContact O-OG 3.35Å; L144-S178 VanDerWaalsContact O-OG 3.09Å; L144-E179 WeakPolarHBondContact CD2-O 3.22Å; L144-T180 HydrophobicContact CD1-CG2 4.32Å; L144-T180 HydrophobicContact CD2-CG2 4.3Å; L144-V186 HydrophobicContact CD1-CG1 4.46Å; L144-V186 HydrophobicContact CD1-CG2 4.17Å; L144-I188 HydrophobicContact CB-CD1 4.11Å
145	L	93.1	Very high	88	Confident	0 Å²	0	71 Å²	71	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-54.2	-36.1	176	-179.1	68.2	0	0	0	112.1	V129 F131 R141 Q147 H148 L152 F158 L163 L176 I188 V190	V129-L145 HydrophobicContact CG1-CD1 3.97Å; V129-L145 HydrophobicContact CG1-CD2 4.27Å; V129-L145 HydrophobicContact CG2-CD2 4.25Å; F131-L145 HydrophobicContact CZ-CB 4.41Å; R141-L145 VanDerWaalsContact O-CB 3.27Å; R141-L145 WeakPolarHBondContact O-CB 3.26Å; R141-L145 PolarHBondContact O-N 3.48Å; R141-L145 VanDerWaalsContact O-N 3.09Å; L145-Q147 VanDerWaalsContact C-N 3.31Å; L145-Q147 PolarHBondContact O-N 2.86Å; L145-H148 PolarHBondContact O-N 2.81Å; L145-L152 HydrophobicContact CD1-CD1 3.62Å; L145-L152 HydrophobicContact CG-CD1 3.74Å; L145-L152 WeakPolarHBondContact O-CD1 3.41Å; L145-F158 HydrophobicContact CD2-CB 4.2Å; L145-F158 HydrophobicContact CD2-CD1 3.62Å; L145-F158 HydrophobicContact CD2-CD2 3.7Å; L145-F158 HydrophobicContact CD2-CE1 3.78Å; L145-F158 HydrophobicContact CD2-CE2 3.9Å; L145-F158 HydrophobicContact CD2-CG 3.57Å; L145-F158 HydrophobicContact CD2-CZ 3.92Å; L145-L163 HydrophobicContact CD2-CD1 4.34Å; L145-L163 HydrophobicContact CD2-CD2 4.46Å; L145-L176 HydrophobicContact CD1-CD1 4.41Å; L145-I188 HydrophobicContact CD1-CG2 3.98Å; L145-V190 HydrophobicContact CD1-CG2 4.02Å
146	F	92.4	Very high	88.4	Confident	70 Å²	70	71.6 Å²	71.6	31%	0.307	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-2.5	-178.3	-69.7	-2.4	0	0	0	114.9	S142 A143 L144 H148 S149 R156 F158	S142-F146 WeakPolarHBondContact O-CB 3.27Å; S142-F146 WeakPolarHBondContact O-CD2 3.34Å; S142-F146 WeakPolarHBondContact O-CG 3.41Å; S142-F146 PolarHBondContact O-N 3.07Å; S142-F146 VanDerWaalsContact O-N 3.07Å; A143-F146 PolarHBondContact O-N 3.36Å; L144-F146 PolarHBondContact O-N 2.83Å; L144-F146 VanDerWaalsContact O-N 3.12Å; F146-H148 VanDerWaalsContact C-N 3.26Å; F146-S149 PolarHBondContact O-OG 3.03Å; F146-R156 HydrophobicContact CD1-CG 4.47Å; F146-R156 HydrophobicContact CE1-CG 4.04Å; F146-R156 HydrophobicContact CZ-CG 4.44Å; F146-R156 PolarHBondContact O-NH2 2.91Å; F146-F158 HydrophobicContact CE1-CB 3.88Å; F146-F158 HydrophobicContact CZ-CB 3.87Å
147	Q	91.4	Very high	89	Confident	104 Å²	104	63.8 Å²	63.8	49%	0.486	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-38.9	164.1	-67.5	167.7	-22.6	0	0	110.3	A143 L144 L145 S149 S178 E179	A143-Q147 PolarHBondContact O-N 3.45Å; L144-Q147 VanDerWaalsContact O-CB 3.28Å; L144-Q147 WeakPolarHBondContact O-CB 3.38Å; L144-Q147 WeakPolarHBondContact O-CG 3.38Å; L144-Q147 PolarHBondContact O-N 2.7Å; L144-Q147 PolarHBondContact O-OE1 2.96Å; L145-Q147 VanDerWaalsContact C-N 3.31Å; L145-Q147 PolarHBondContact O-N 2.86Å; Q147-S149 PolarHBondContact O-N 2.99Å; Q147-S178 PolarHBondContact OE1-OG 2.87Å; Q147-E179 PolarHBondContact NE2-O 2.93Å
148	H	92.2	Very high	89.2	Confident	34 Å²	34	61.3 Å²	61.3	16%	0.157	31%	0.305	C	S	.	.			trans	-77.7	49.5	-175.4	-58.7	-69.3	0	0	0	113.8	L145 F146 E150 V151 L152 L176 Y177 S178	L145-H148 PolarHBondContact O-N 2.81Å; F146-H148 VanDerWaalsContact C-N 3.26Å; H148-E150 VanDerWaalsContact C-N 3.28Å; H148-E150 PolarHBondContact O-N 2.89Å; H148-V151 PolarHBondContact O-N 2.77Å; H148-L152 HydrophobicContact CB-CD1 4.32Å; H148-L152 HydrophobicContact CB-CG 4.35Å; H148-L152 WeakPolarHBondContact O-CB 3.27Å; H148-L152 WeakPolarHBondContact O-CG 3.27Å; H148-L152 PolarHBondContact O-N 3.29Å; H148-L176 HydrophobicContact CB-CD1 3.86Å; H148-L176 HydrophobicContact CB-CD2 4.24Å; H148-Y177 PolarHBondContact CE1-O 2.85Å; H148-Y177 PolarHBondContact NE2-O 2.9Å; H148-S178 PolarHBondContact NE2-OG 3.16Å
149	S	89.4	Confident	89.3	Confident	50 Å²	50	58.1 Å²	58.1	35%	0.35	30%	0.298	S	S	.	.	H	α-helix	trans	-69.6	-22.8	-173.2	-68.5	0	0	0	0	114.5	F146 Q147 G153 R156	F146-S149 PolarHBondContact O-OG 3.03Å; Q147-S149 PolarHBondContact O-N 2.99Å; S149-G153 CarbonylContact O-C 3.58Å; S149-G153 VanDerWaalsContact O-CA 3.26Å; S149-G153 WeakPolarHBondContact O-CA 3.39Å; S149-G153 PolarHBondContact O-N 3.48Å; S149-G153 VanDerWaalsContact O-N 3.1Å; S149-R156 PolarHBondContact OG-NH1 3.18Å; S149-R156 PolarHBondContact OG-NH2 3.11Å
150	E	88.5	Confident	89.2	Confident	196 Å²	196	47.9 Å²	47.9	92%	0.916	26%	0.261	S	S	*	.	H	α-helix	trans	-73	-44.4	176.3	-64.7	169.5	-176	0	0	111.1	H148	H148-E150 VanDerWaalsContact C-N 3.28Å; H148-E150 PolarHBondContact O-N 2.89Å
151	V	89.9	Confident	89.3	Confident	64 Å²	64	46.3 Å²	46.3	39%	0.388	26%	0.258	S	S	.	.	H	α-helix	trans	-76.2	-39.2	-179.9	-175.6	0	0	0	0	112.3	H148 L169 T174 L176	H148-V151 PolarHBondContact O-N 2.77Å; V151-L169 HydrophobicContact CG1-CD2 4.28Å; V151-L169 VanDerWaalsContact O-CD2 3.3Å; V151-L169 WeakPolarHBondContact O-CD2 3.31Å; V151-T174 HydrophobicContact CG1-CG2 4.08Å; V151-L176 HydrophobicContact CB-CD2 4.28Å; V151-L176 HydrophobicContact CG1-CD2 4.2Å; V151-L176 HydrophobicContact CG2-CD2 4.12Å
152	L	90.1	Very high	89.4	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-92.5	-6.3	-175.4	-55.7	-178.9	0	0	0	113.8	L145 H148 L163 L165 H167 L169 L176	L145-L152 HydrophobicContact CD1-CD1 3.62Å; L145-L152 HydrophobicContact CG-CD1 3.74Å; L145-L152 WeakPolarHBondContact O-CD1 3.41Å; H148-L152 HydrophobicContact CB-CD1 4.32Å; H148-L152 HydrophobicContact CB-CG 4.35Å; H148-L152 WeakPolarHBondContact O-CB 3.27Å; H148-L152 WeakPolarHBondContact O-CG 3.27Å; H148-L152 PolarHBondContact O-N 3.29Å; L152-L163 HydrophobicContact CD1-CD2 4.47Å; L152-L163 HydrophobicContact CD2-CD2 4.06Å; L152-L165 HydrophobicContact CD2-CD1 4.39Å; L152-L165 WeakPolarHBondContact O-CD2 3.38Å; L152-H167 PolarHBondContact O-CE1 3.31Å; L152-L169 HydrophobicContact CD2-CD1 4.23Å; L152-L169 HydrophobicContact CD2-CD2 4.38Å; L152-L176 HydrophobicContact CD2-CD1 4.32Å
153	G	87.7	Confident	89.5	Confident	20 Å²	20	45.1 Å²	45.1	21%	0.206	25%	0.254	C	S	.	.			trans	60.3	177.6	-171.3	0	0	0	0	0	114.4	S149 R156	S149-G153 CarbonylContact O-C 3.58Å; S149-G153 VanDerWaalsContact O-CA 3.26Å; S149-G153 WeakPolarHBondContact O-CA 3.39Å; S149-G153 PolarHBondContact O-N 3.48Å; S149-G153 VanDerWaalsContact O-N 3.1Å; G153-R156 PolarHBondContact O-NH1 2.91Å
154	T	84.7	Confident	89.7	Confident	114 Å²	114	43.5 Å²	43.5	70%	0.699	24%	0.236	S	C	*	.	S	Bend	trans	-78	-25.9	178.1	56.9	0	0	0	0	113.1	R156	T154-R156 PolarHBondContact O-N 2.91Å
155	A	86.1	Confident	89.8	Confident	8 Å²	8	43.3 Å²	43.3	7%	0.066	24%	0.235	C	C	.	.			trans	-87.5	82.1	-177.3	0	0	0	0	0	111.4	P166 K434 W435	A155-P166 HydrophobicContact CB-CG 3.69Å; A155-P166 WeakPolarHBondContact O-CD 3.35Å; A155-K434 HydrophobicContact CB-CB 3.91Å; A155-K434 WeakPolarHBondContact CB-O 3.36Å; A155-W435 HydrophobicContact CB-CD2 4.46Å
156	R	90.1	Very high	89.6	Confident	37 Å²	37	44.8 Å²	44.8	14%	0.14	24%	0.244	C	C	.	.			trans	-137.3	150.9	-175.6	60.9	-172.2	-174.6	-117.2	7.9	114.3	F146 S149 G153 T154 L163 L165 R213	F146-R156 HydrophobicContact CD1-CG 4.47Å; F146-R156 HydrophobicContact CE1-CG 4.04Å; F146-R156 HydrophobicContact CZ-CG 4.44Å; F146-R156 PolarHBondContact O-NH2 2.91Å; S149-R156 PolarHBondContact OG-NH1 3.18Å; S149-R156 PolarHBondContact OG-NH2 3.11Å; G153-R156 PolarHBondContact O-NH1 2.91Å; T154-R156 PolarHBondContact O-N 2.91Å; R156-L163 HydrophobicContact CB-CD1 4.24Å; R156-L165 HydrophobicContact CB-CD2 3.64Å; R156-R213 PolarHBondContact O-NH2 3.16Å
157	N	89.9	Confident	89.5	Confident	17 Å²	17	44.6 Å²	44.6	9%	0.091	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	119.8	178.5	-160.3	-2.3	0	0	0	110	L163 F164 F206 L209 R213 W435	N157-L163 CarbonylContact O-C 3.39Å; N157-L163 WeakPolarHBondContact O-CA 3.49Å; N157-F164 HydrophobicContact CB-CB 4.42Å; N157-F164 PolarHBondContact N-O 3.26Å; N157-F164 VanDerWaalsContact N-O 3.14Å; N157-F164 PolarHBondContact O-N 3.36Å; N157-F206 HydrophobicContact CB-CE2 3.85Å; N157-F206 WeakPolarHBondContact ND2-CE2 3.39Å; N157-L209 WeakPolarHBondContact ND2-CD2 3.48Å; N157-R213 PolarHBondContact OD1-NH2 3.08Å; N157-R213 VanDerWaalsContact OD1-NH2 3.1Å; N157-W435 HydrophobicContact CB-CH2 3.89Å; N157-W435 HydrophobicContact CB-CZ2 3.94Å
158	F	90.2	Very high	89.6	Confident	9 Å²	9	46.3 Å²	46.3	4%	0.039	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	130.9	-172	-179.2	-125.7	0	0	0	111	V129 F131 R138 R141 L145 F146 G160 L162 L163	V129-F158 HydrophobicContact CB-CE2 3.71Å; V129-F158 HydrophobicContact CB-CZ 4.13Å; V129-F158 HydrophobicContact CG1-CE2 4.31Å; V129-F158 HydrophobicContact CG1-CZ 4.31Å; V129-F158 HydrophobicContact CG2-CD2 4.19Å; V129-F158 HydrophobicContact CG2-CE2 3.68Å; V129-F158 HydrophobicContact CG2-CZ 4.47Å; F131-F158 AromaticContact CE2-CZ 3.9Å; F131-F158 HydrophobicContact CE2-CZ 3.9Å; F131-F158 HydrophobicContact CZ-CE1 4.21Å; F131-F158 AromaticContact CZ-CZ 3.87Å; F131-F158 HydrophobicContact CZ-CZ 3.87Å; R138-F158 PolarHBondContact NH2-O 3.25Å; R141-F158 HydrophobicContact CB-CE1 4.08Å; R141-F158 HydrophobicContact CB-CZ 4.46Å; L145-F158 HydrophobicContact CD2-CB 4.2Å; L145-F158 HydrophobicContact CD2-CD1 3.62Å; L145-F158 HydrophobicContact CD2-CD2 3.7Å; L145-F158 HydrophobicContact CD2-CE1 3.78Å; L145-F158 HydrophobicContact CD2-CE2 3.9Å; L145-F158 HydrophobicContact CD2-CG 3.57Å; L145-F158 HydrophobicContact CD2-CZ 3.92Å; F146-F158 HydrophobicContact CE1-CB 3.88Å; F146-F158 HydrophobicContact CZ-CB 3.87Å; F158-G160 VanDerWaalsContact CE2-C 3.45Å; F158-G160 VanDerWaalsContact CZ-O 3.24Å; F158-G160 WeakPolarHBondContact CZ-O 3.43Å; F158-L162 WeakPolarHBondContact CA-O 3.43Å; F158-L162 VanDerWaalsContact CD2-O 3.25Å; F158-L162 WeakPolarHBondContact CD2-O 3.38Å; F158-L163 HydrophobicContact CB-CD1 4.13Å; F158-L163 HydrophobicContact CD2-CB 3.98Å
159	D	84.3	Confident	89.6	Confident	71 Å²	71	45.1 Å²	45.1	38%	0.38	24%	0.241	S	C	.	.			trans	-100.3	-5.1	-178.9	82.5	-3.4	0	0	0	115	R138 A161 L162	R138-D159 WeakPolarHBondContact CD-O 3.48Å; R138-D159 VanDerWaalsContact CZ-C 3.48Å; R138-D159 PolarHBondContact NE-O 2.96Å; R138-D159 PolarHBondContact NH1-O 2.96Å; D159-A161 PolarHBondContact OD1-N 2.93Å; D159-L162 PolarHBondContact N-O 2.95Å; D159-L162 PolarHBondContact OD1-N 3.01Å
160	G	84.1	Confident	89.5	Confident	4 Å²	4	52 Å²	52	4%	0.041	27%	0.268	C	S	.	.	S	Bend	trans	114	-24.3	-173	0	0	0	0	0	113.4	R141 F158	R141-G160 PolarHBondContact NH1-O 3.32Å; F158-G160 VanDerWaalsContact CE2-C 3.45Å; F158-G160 VanDerWaalsContact CZ-O 3.24Å; F158-G160 WeakPolarHBondContact CZ-O 3.43Å
161	A	88.9	Confident	89.5	Confident	34 Å²	34	46 Å²	46	28%	0.281	25%	0.247	S	C	.	.	S	Bend	trans	-138.8	-26.1	177.3	0	0	0	0	0	113.6	H128 V129 D159	H128-A161 WeakPolarHBondContact CA-O 3.43Å; H128-A161 PolarHBondContact ND1-O 3.33Å; V129-A161 PolarHBondContact N-O 3.42Å; D159-A161 PolarHBondContact OD1-N 2.93Å
162	L	92.4	Very high	89.4	Confident	52 Å²	52	50.2 Å²	50.2	27%	0.272	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.7	173.5	-64.2	177.9	0	0	0	110.8	Q126 Y127 F158 D159 F164	Q126-L162 HydrophobicContact CG-CD2 4.38Å; Y127-L162 WeakPolarHBondContact O-CA 3.42Å; F158-L162 WeakPolarHBondContact CA-O 3.43Å; F158-L162 VanDerWaalsContact CD2-O 3.25Å; F158-L162 WeakPolarHBondContact CD2-O 3.38Å; D159-L162 PolarHBondContact N-O 2.95Å; D159-L162 PolarHBondContact OD1-N 3.01Å; L162-F164 HydrophobicContact CB-CE2 4.07Å; L162-F164 HydrophobicContact CB-CZ 4.44Å
163	L	93.5	Very high	89.6	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	134	173.8	171.3	68.9	0	0	0	109.2	Y127 V129 L145 L152 R156 N157 F158 L165 V190	Y127-L163 PolarHBondContact N-O 2.68Å; Y127-L163 PolarHBondContact O-N 3.26Å; V129-L163 HydrophobicContact CG2-CB 3.57Å; V129-L163 HydrophobicContact CG2-CD2 4.27Å; L145-L163 HydrophobicContact CD2-CD1 4.34Å; L145-L163 HydrophobicContact CD2-CD2 4.46Å; L152-L163 HydrophobicContact CD1-CD2 4.47Å; L152-L163 HydrophobicContact CD2-CD2 4.06Å; R156-L163 HydrophobicContact CB-CD1 4.24Å; N157-L163 CarbonylContact O-C 3.39Å; N157-L163 WeakPolarHBondContact O-CA 3.49Å; F158-L163 HydrophobicContact CB-CD1 4.13Å; F158-L163 HydrophobicContact CD2-CB 3.98Å; L163-L165 HydrophobicContact CD1-CD2 4.06Å; L163-L165 HydrophobicContact CD2-CD1 4.3Å; L163-L165 HydrophobicContact CD2-CD2 4.39Å; L163-L165 HydrophobicContact CD2-CG 4.3Å; L163-L165 HydrophobicContact CG-CD2 4.26Å; L163-L165 HydrophobicContact CG-CG 4.2Å; L163-V190 HydrophobicContact CD2-CG1 3.91Å
164	F	93.5	Very high	89.9	Confident	25 Å²	25	55.4 Å²	55.4	11%	0.11	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.9	172.7	-59.2	-91.5	0	0	0	110.1	L124 Y125 Q126 N157 L162 L196 V202 F206 W435	L124-F164 HydrophobicContact CD1-CB 4.13Å; L124-F164 HydrophobicContact CD2-CB 4.49Å; L124-F164 HydrophobicContact CD2-CD1 3.72Å; L124-F164 HydrophobicContact CD2-CE1 4.38Å; L124-F164 HydrophobicContact CD2-CG 4.41Å; L124-F164 HydrophobicContact CG-CB 4.35Å; L124-F164 HydrophobicContact CG-CD1 4.02Å; Y125-F164 WeakPolarHBondContact O-CA 3.37Å; Q126-F164 HydrophobicContact CB-CD1 4.01Å; Q126-F164 HydrophobicContact CB-CE1 3.86Å; Q126-F164 HydrophobicContact CG-CD1 4.05Å; Q126-F164 HydrophobicContact CG-CE1 3.55Å; Q126-F164 HydrophobicContact CG-CZ 3.98Å; N157-F164 HydrophobicContact CB-CB 4.42Å; N157-F164 PolarHBondContact N-O 3.26Å; N157-F164 VanDerWaalsContact N-O 3.14Å; N157-F164 PolarHBondContact O-N 3.36Å; L162-F164 HydrophobicContact CB-CE2 4.07Å; L162-F164 HydrophobicContact CB-CZ 4.44Å; F164-L196 HydrophobicContact CD1-CD1 4.36Å; F164-L196 HydrophobicContact CE1-CD1 3.94Å; F164-V202 HydrophobicContact CE1-CG1 3.8Å; F164-V202 HydrophobicContact CZ-CG1 4.01Å; F164-F206 HydrophobicContact CB-CD2 4.31Å; F164-F206 HydrophobicContact CB-CE2 4.03Å; F164-F206 HydrophobicContact CG-CD2 4.34Å; F164-W435 WeakPolarHBondContact O-CH2 3.28Å
165	L	93.2	Very high	90.3	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	150.4	176.8	-57.6	177.8	0	0	0	110.4	Y125 Y127 L152 R156 L163 H167 L169	Y125-L165 PolarHBondContact N-O 3.18Å; Y125-L165 PolarHBondContact O-N 3.26Å; Y127-L165 HydrophobicContact CD2-CD1 4.25Å; Y127-L165 HydrophobicContact CD2-CG 4.31Å; Y127-L165 HydrophobicContact CE2-CB 4.03Å; Y127-L165 HydrophobicContact CE2-CD1 3.69Å; Y127-L165 HydrophobicContact CE2-CG 3.92Å; L152-L165 HydrophobicContact CD2-CD1 4.39Å; L152-L165 WeakPolarHBondContact O-CD2 3.38Å; R156-L165 HydrophobicContact CB-CD2 3.64Å; L163-L165 HydrophobicContact CD1-CD2 4.06Å; L163-L165 HydrophobicContact CD2-CD1 4.3Å; L163-L165 HydrophobicContact CD2-CD2 4.39Å; L163-L165 HydrophobicContact CD2-CG 4.3Å; L163-L165 HydrophobicContact CG-CD2 4.26Å; L163-L165 HydrophobicContact CG-CG 4.2Å; L165-H167 PolarHBondContact O-N 2.87Å; L165-L169 HydrophobicContact CD1-CD1 4.23Å; L165-L169 HydrophobicContact CD1-CD2 3.82Å; L165-L169 HydrophobicContact CD1-CG 3.93Å
166	P	90.1	Very high	90.7	Very high	31 Å²	31	53.1 Å²	53.1	20%	0.201	27%	0.265	C	S	.	.	S	Bend	trans	-83.7	3.2	174	35.5	-34.6	0	0	0	113	A155 W435	A155-P166 HydrophobicContact CB-CG 3.69Å; A155-P166 WeakPolarHBondContact O-CD 3.35Å; P166-W435 HydrophobicContact CB-CE3 3.87Å; P166-W435 HydrophobicContact CB-CZ3 4.34Å; P166-W435 VanDerWaalsContact CD-CZ3 3.5Å; P166-W435 HydrophobicContact CG-CE3 3.97Å; P166-W435 HydrophobicContact CG-CZ3 4.24Å
167	H	89.8	Confident	90.9	Very high	66 Å²	66	59.5 Å²	59.5	31%	0.306	29%	0.29	S	S	.	.	S	Bend	trans	-137.2	157.4	-178.8	60.3	-91.4	0	0	0	110.3	Y125 Y127 L152 L165	Y125-H167 WeakPolarHBondContact CD2-O 3.12Å; Y127-H167 PolarHBondContact OH-O 2.98Å; L152-H167 PolarHBondContact O-CE1 3.31Å; L165-H167 PolarHBondContact O-N 2.87Å
168	R	92.4	Very high	91.1	Very high	141 Å²	141	59 Å²	59	53%	0.532	29%	0.288	S	S	.	.			trans	-84.8	134.4	176.1	-166.9	165.6	158.3	164.1	-15.7	109.9	Y125 Y127 E195	Y125-R168 HydrophobicContact CD1-CB 3.9Å; Y125-R168 HydrophobicContact CD1-CG 4.05Å; Y125-R168 HydrophobicContact CE1-CB 3.59Å; Y125-R168 HydrophobicContact CE1-CG 3.91Å; Y125-R168 HydrophobicContact CE2-CB 4.34Å; Y125-R168 HydrophobicContact CG-CB 4.4Å; Y127-R168 WeakPolarHBondContact OH-CA 3.25Å; R168-E195 WeakPolarHBondContact CD-OE1 3.31Å; R168-E195 IonicContact CZ-OE1 3.7Å; R168-E195 IonicContact NE-OE1 2.75Å; R168-E195 IonicContact NH1-OE1 3.13Å; R168-E195 PolarHBondContact NH1-OE1 3.47Å; R168-E195 IonicContact NH1-OE2 2.79Å
169	L	92.6	Very high	91.1	Very high	8 Å²	8	63 Å²	63	4%	0.042	31%	0.306	C	S	.	.			trans	-73.8	147	167.3	-61.6	179.7	0	0	0	109.5	Y127 V151 L152 L165 S171 T174 V190	Y127-L169 HydrophobicContact CD1-CD1 4.09Å; Y127-L169 HydrophobicContact CE1-CB 4.06Å; Y127-L169 HydrophobicContact CE1-CD1 3.72Å; Y127-L169 HydrophobicContact CE1-CG 3.82Å; Y127-L169 PolarHBondContact OH-N 2.96Å; V151-L169 HydrophobicContact CG1-CD2 4.28Å; V151-L169 VanDerWaalsContact O-CD2 3.3Å; V151-L169 WeakPolarHBondContact O-CD2 3.31Å; L152-L169 HydrophobicContact CD2-CD1 4.23Å; L152-L169 HydrophobicContact CD2-CD2 4.38Å; L165-L169 HydrophobicContact CD1-CD1 4.23Å; L165-L169 HydrophobicContact CD1-CD2 3.82Å; L165-L169 HydrophobicContact CD1-CG 3.93Å; L169-S171 VanDerWaalsContact C-N 3.26Å; L169-S171 PolarHBondContact O-N 3.33Å; L169-T174 HydrophobicContact CD1-CG2 4.39Å; L169-V190 HydrophobicContact CD1-CG1 3.79Å
170	H	87.3	Confident	91.1	Very high	196 Å²	196	60.4 Å²	60.4	91%	0.907	29%	0.293	S	S	*	.	S	Bend	trans	-54.3	-40.7	-175.3	-59.4	104.8	0	0	0	113.3
171	S	88.8	Confident	91.1	Very high	69 Å²	69	72.1 Å²	72.1	48%	0.483	34%	0.336	S	S	.	.	S	Bend	trans	-108.2	142.8	-178.9	-61.1	0	0	0	0	111.5	L169 E173 T174	L169-S171 VanDerWaalsContact C-N 3.26Å; L169-S171 PolarHBondContact O-N 3.33Å; S171-E173 WeakPolarHBondContact CB-O 3.2Å; S171-E173 PolarHBondContact O-N 3.32Å; S171-T174 PolarHBondContact O-OG1 3.42Å
172	K	88.8	Confident	90.8	Very high	152 Å²	152	77.4 Å²	77.4	66%	0.661	36%	0.36	S	S	*	.	S	Bend	trans	-56.9	-35.9	174.4	-176.4	-176.4	175.9	-175.1	0	111.9	T191 L192	K172-T191 CarbonylContact O-C 3.49Å; K172-T191 WeakPolarHBondContact O-CA 3.22Å; K172-L192 HydrophobicContact CG-CB 4.32Å; K172-L192 PolarHBondContact O-N 2.71Å
173	E	93.4	Very high	90.4	Very high	110 Å²	110	82.8 Å²	82.8	51%	0.514	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.9	169.1	-175.9	172.6	167.5	0	0	107.8	S171 T189	S171-E173 WeakPolarHBondContact CB-O 3.2Å; S171-E173 PolarHBondContact O-N 3.32Å; E173-T189 HydrophobicContact CG-CG2 3.7Å; E173-T189 WeakPolarHBondContact OE1-CG2 3.47Å
174	T	94.2	Very high	90.1	Very high	19 Å²	19	87.4 Å²	87.4	12%	0.117	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	119.5	178.9	-62.3	0	0	0	0	108.5	V151 L169 S171 L176 V190	V151-T174 HydrophobicContact CG1-CG2 4.08Å; L169-T174 HydrophobicContact CD1-CG2 4.39Å; S171-T174 PolarHBondContact O-OG1 3.42Å; T174-L176 HydrophobicContact CG2-CD2 4.19Å; T174-L176 HydrophobicContact CG2-CG 4.33Å; T174-V190 PolarHBondContact N-O 3.35Å; T174-V190 PolarHBondContact O-N 3.21Å
175	V	93.9	Very high	89.9	Confident	64 Å²	64	94.3 Å²	94.3	39%	0.388	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.2	-178.8	-179.9	0	0	0	0	109.6	Y177 L187	V175-Y177 HydrophobicContact CG1-CE2 3.83Å; V175-L187 HydrophobicContact CG1-CD1 3.44Å; V175-L187 VanDerWaalsContact CG1-CD1 3.44Å; V175-L187 HydrophobicContact CG1-CG 4.3Å
176	L	93.9	Very high	89.9	Confident	11 Å²	11	94.4 Å²	94.4	6%	0.058	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	147.1	-177.6	-58.3	169.8	0	0	0	109.6	L145 H148 V151 L152 T174 I188 V190	L145-L176 HydrophobicContact CD1-CD1 4.41Å; H148-L176 HydrophobicContact CB-CD1 3.86Å; H148-L176 HydrophobicContact CB-CD2 4.24Å; V151-L176 HydrophobicContact CB-CD2 4.28Å; V151-L176 HydrophobicContact CG1-CD2 4.2Å; V151-L176 HydrophobicContact CG2-CD2 4.12Å; L152-L176 HydrophobicContact CD2-CD1 4.32Å; T174-L176 HydrophobicContact CG2-CD2 4.19Å; T174-L176 HydrophobicContact CG2-CG 4.33Å; L176-I188 HydrophobicContact CB-CB 4.24Å; L176-I188 PolarHBondContact N-O 3.5Å; L176-I188 PolarHBondContact O-N 3.19Å; L176-V190 HydrophobicContact CD1-CG2 3.92Å
177	Y	94.5	Very high	90.1	Very high	171 Å²	171	95.2 Å²	95.2	67%	0.671	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.6	118.5	-179.1	-67.3	-93.7	0	0	0	110.2	H148 V175 L187	H148-Y177 PolarHBondContact CE1-O 2.85Å; H148-Y177 PolarHBondContact NE2-O 2.9Å; V175-Y177 HydrophobicContact CG1-CE2 3.83Å; Y177-L187 HydrophobicContact CD1-CD1 3.95Å; Y177-L187 HydrophobicContact CE1-CD1 3.33Å; Y177-L187 HydrophobicContact CE2-CD1 4.22Å; Y177-L187 VanDerWaalsContact CZ-CD1 3.48Å
178	S	93	Very high	90.4	Very high	6 Å²	6	92 Å²	92	4%	0.042	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	158.9	178.8	-83.9	0	0	0	0	111.4	L144 Q147 H148 V186 I188	L144-S178 PolarHBondContact O-OG 3.35Å; L144-S178 VanDerWaalsContact O-OG 3.09Å; Q147-S178 PolarHBondContact OE1-OG 2.87Å; H148-S178 PolarHBondContact NE2-OG 3.16Å; S178-V186 PolarHBondContact N-O 2.74Å; S178-V186 PolarHBondContact O-N 3.11Å; S178-I188 WeakPolarHBondContact OG-CD1 3.12Å
179	E	90.1	Very high	90.5	Very high	92 Å²	92	86.2 Å²	86.2	43%	0.43	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.5	173.6	-163.4	172.5	141.3	0	0	110.1	L144 Q147 K183 E184	L144-E179 WeakPolarHBondContact CD2-O 3.22Å; Q147-E179 PolarHBondContact NE2-O 2.93Å; E179-K183 WeakPolarHBondContact OE1-CA 3.21Å; E179-K183 WeakPolarHBondContact OE1-CB 3.42Å; E179-K183 WeakPolarHBondContact OE1-CG 3.41Å; E179-E184 WeakPolarHBondContact CA-O 3.48Å
180	T	85.5	Confident	90.7	Very high	17 Å²	17	85.8 Å²	85.8	10%	0.104	40%	0.399	C	S	.	.			trans	-80.2	168.3	174.2	79.7	0	0	0	0	111.2	L144 N182 K183 E184 V186	L144-T180 HydrophobicContact CD1-CG2 4.32Å; L144-T180 HydrophobicContact CD2-CG2 4.3Å; T180-N182 PolarHBondContact O-N 2.88Å; T180-N182 PolarHBondContact OG1-N 2.75Å; T180-K183 PolarHBondContact O-N 3.29Å; T180-E184 HydrophobicContact CG2-CB 4.01Å; T180-E184 PolarHBondContact N-O 2.9Å; T180-E184 WeakPolarHBondContact OG1-CB 3.48Å; T180-E184 PolarHBondContact OG1-N 3.39Å; T180-V186 HydrophobicContact CG2-CG2 3.74Å
181	R	82.8	Confident	91.1	Very high	251 Å²	251	78.2 Å²	78.2	95%	0.947	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-17.6	172.9	-69.6	-175.1	175.1	-168.6	-4.1	113.8
182	N	83.2	Confident	91.5	Very high	145 Å²	145	76 Å²	76	78%	0.775	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	13.9	-179.8	-60.9	14.9	0	0	0	112	T180 E184	T180-N182 PolarHBondContact O-N 2.88Å; T180-N182 PolarHBondContact OG1-N 2.75Å; N182-E184 PolarHBondContact O-N 3.28Å
183	K	84.2	Confident	91.7	Very high	165 Å²	165	71.7 Å²	71.7	72%	0.717	34%	0.335	S	S	*	.			trans	62.4	19.1	-175.8	-53.4	-165.9	176.6	-176	0	115.9	E179 T180	E179-K183 WeakPolarHBondContact OE1-CA 3.21Å; E179-K183 WeakPolarHBondContact OE1-CB 3.42Å; E179-K183 WeakPolarHBondContact OE1-CG 3.41Å; T180-K183 PolarHBondContact O-N 3.29Å
184	E	87.2	Confident	91.7	Very high	96 Å²	96	70.2 Å²	70.2	45%	0.449	33%	0.331	S	S	.	.			trans	-76.3	125.8	173.3	-176.2	-179.1	-146.3	0	0	109.6	P133 E179 T180 N182	P133-E184 HydrophobicContact CG-CG 4.49Å; P133-E184 WeakPolarHBondContact CG-OE1 3.43Å; E179-E184 WeakPolarHBondContact CA-O 3.48Å; T180-E184 HydrophobicContact CG2-CB 4.01Å; T180-E184 PolarHBondContact N-O 2.9Å; T180-E184 WeakPolarHBondContact OG1-CB 3.48Å; T180-E184 PolarHBondContact OG1-N 3.39Å; N182-E184 PolarHBondContact O-N 3.28Å
185	K	89.6	Confident	91.7	Very high	171 Å²	171	73.3 Å²	73.3	74%	0.743	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	124.8	177	-66.6	-176	178.9	-178.3	0	110.1
186	V	92.4	Very high	91.5	Very high	1 Å²	1	70.9 Å²	70.9	1%	0.006	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	118.9	-179.7	177.6	0	0	0	0	109.2	F131 K132 M135 L144 S178 T180 I188	F131-V186 HydrophobicContact CD1-CG1 4.12Å; K132-V186 WeakPolarHBondContact O-CA 3.18Å; M135-V186 HydrophobicContact CE-CB 4.48Å; M135-V186 HydrophobicContact CE-CG1 3.49Å; M135-V186 VanDerWaalsContact CE-CG1 3.49Å; M135-V186 HydrophobicContact CE-CG2 4.19Å; L144-V186 HydrophobicContact CD1-CG1 4.46Å; L144-V186 HydrophobicContact CD1-CG2 4.17Å; S178-V186 PolarHBondContact N-O 2.74Å; S178-V186 PolarHBondContact O-N 3.11Å; T180-V186 HydrophobicContact CG2-CG2 3.74Å; V186-I188 HydrophobicContact CG1-CG1 3.93Å
187	L	94.4	Very high	91.3	Very high	48 Å²	48	73.6 Å²	73.6	25%	0.251	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	129	165.6	-172.3	78	0	0	0	108.6	F131 K132 V175 Y177	F131-L187 CarbonylContact C-O 3.52Å; F131-L187 WeakPolarHBondContact CA-O 3.09Å; K132-L187 HydrophobicContact CB-CB 4.27Å; K132-L187 HydrophobicContact CD-CD2 4.32Å; K132-L187 PolarHBondContact N-O 3.3Å; K132-L187 PolarHBondContact O-N 2.96Å; V175-L187 HydrophobicContact CG1-CD1 3.44Å; V175-L187 VanDerWaalsContact CG1-CD1 3.44Å; V175-L187 HydrophobicContact CG1-CG 4.3Å; Y177-L187 HydrophobicContact CD1-CD1 3.95Å; Y177-L187 HydrophobicContact CE1-CD1 3.33Å; Y177-L187 HydrophobicContact CE2-CD1 4.22Å; Y177-L187 VanDerWaalsContact CZ-CD1 3.48Å
188	I	95.6	Very high	90.8	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.6	175.6	-50	178.8	0	0	0	108	V129 D130 F131 L144 L145 L176 S178 V186 V190	V129-I188 HydrophobicContact CG1-CG2 3.51Å; D130-I188 WeakPolarHBondContact O-CA 3.49Å; F131-I188 HydrophobicContact CD1-CB 4.45Å; F131-I188 HydrophobicContact CD1-CD1 4.13Å; F131-I188 HydrophobicContact CD1-CG1 3.77Å; F131-I188 HydrophobicContact CD1-CG2 4.17Å; F131-I188 HydrophobicContact CE1-CD1 3.79Å; F131-I188 HydrophobicContact CE1-CG1 3.9Å; F131-I188 HydrophobicContact CE1-CG2 3.91Å; F131-I188 HydrophobicContact CZ-CG2 4.24Å; L144-I188 HydrophobicContact CB-CD1 4.11Å; L145-I188 HydrophobicContact CD1-CG2 3.98Å; L176-I188 HydrophobicContact CB-CB 4.24Å; L176-I188 PolarHBondContact N-O 3.5Å; L176-I188 PolarHBondContact O-N 3.19Å; S178-I188 WeakPolarHBondContact OG-CD1 3.12Å; V186-I188 HydrophobicContact CG1-CG1 3.93Å; I188-V190 HydrophobicContact CG2-CG2 4.28Å
189	T	95.4	Very high	90.5	Very high	18 Å²	18	70.5 Å²	70.5	11%	0.11	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.1	177.5	-66.1	0	0	0	0	109.1	V129 D130 E173 T191	V129-T189 WeakPolarHBondContact CA-O 3.32Å; D130-T189 PolarHBondContact N-O 3.45Å; D130-T189 PolarHBondContact O-N 3Å; E173-T189 HydrophobicContact CG-CG2 3.7Å; E173-T189 WeakPolarHBondContact OE1-CG2 3.47Å; T189-T191 WeakPolarHBondContact CG2-OG1 3.06Å
190	V	96.3	Very high	90.3	Very high	0 Å²	0	67 Å²	67	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	105.6	-179.9	-177.1	0	0	0	0	109.1	Y127 H128 V129 L145 L163 L169 T174 L176 I188	Y127-V190 HydrophobicContact CD1-CG1 3.86Å; Y127-V190 HydrophobicContact CG-CG1 3.89Å; H128-V190 WeakPolarHBondContact O-CA 3.16Å; V129-V190 HydrophobicContact CG1-CG2 4.24Å; V129-V190 HydrophobicContact CG2-CG1 4.48Å; V129-V190 HydrophobicContact CG2-CG2 4.38Å; L145-V190 HydrophobicContact CD1-CG2 4.02Å; L163-V190 HydrophobicContact CD2-CG1 3.91Å; L169-V190 HydrophobicContact CD1-CG1 3.79Å; T174-V190 PolarHBondContact N-O 3.35Å; T174-V190 PolarHBondContact O-N 3.21Å; L176-V190 HydrophobicContact CD1-CG2 3.92Å; I188-V190 HydrophobicContact CG2-CG2 4.28Å
191	T	96.2	Very high	90.2	Very high	37 Å²	37	69.5 Å²	69.5	23%	0.227	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	123.1	-171.2	-56.6	0	0	0	0	111.4	Y127 H128 K172 T189 T193	Y127-T191 CarbonylContact C-O 3.56Å; Y127-T191 WeakPolarHBondContact CA-O 3.06Å; Y127-T191 WeakPolarHBondContact CB-O 3.41Å; H128-T191 PolarHBondContact N-O 2.91Å; H128-T191 PolarHBondContact O-N 3.23Å; K172-T191 CarbonylContact O-C 3.49Å; K172-T191 WeakPolarHBondContact O-CA 3.22Å; T189-T191 WeakPolarHBondContact CG2-OG1 3.06Å; T191-T193 PolarHBondContact O-N 2.84Å
192	L	96.1	Very high	90.4	Very high	22 Å²	22	60 Å²	60	12%	0.115	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	120.2	177.5	180	63.3	0	0	0	110.3	Y125 Y127 K172 E195	Y125-L192 HydrophobicContact CD1-CD1 4.28Å; Y127-L192 HydrophobicContact CD1-CB 3.85Å; Y127-L192 HydrophobicContact CD1-CD1 4.13Å; Y127-L192 HydrophobicContact CE1-CB 3.78Å; Y127-L192 HydrophobicContact CE1-CD1 3.75Å; Y127-L192 HydrophobicContact CE1-CG 4.3Å; Y127-L192 HydrophobicContact CE2-CD1 4.4Å; K172-L192 HydrophobicContact CG-CB 4.32Å; K172-L192 PolarHBondContact O-N 2.71Å; L192-E195 HydrophobicContact CD2-CG 4.48Å
193	T	94	Very high	90.6	Very high	62 Å²	62	53 Å²	53	38%	0.38	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-43.1	-179.1	61.8	0	0	0	0	112.9	Q126 H128 T191	Q126-T193 PolarHBondContact NE2-OG1 3.43Å; Q126-T193 PolarHBondContact O-N 2.89Å; Q126-T193 PolarHBondContact O-OG1 2.85Å; H128-T193 HydrophobicContact CB-CG2 3.84Å; T191-T193 PolarHBondContact O-N 2.84Å
194	N	93.5	Very high	90.7	Very high	79 Å²	79	46 Å²	46	42%	0.422	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	145	-175.3	-63.8	-91.9	0	0	0	111	Q126 L196	Q126-N194 HydrophobicContact CB-CB 4.27Å; Q126-N194 PolarHBondContact N-O 2.97Å; Q126-N194 PolarHBondContact NE2-ND2 3.19Å; Q126-N194 VanDerWaalsContact NE2-ND2 3.16Å; Q126-N194 PolarHBondContact O-N 3.35Å; N194-L196 HydrophobicContact CB-CD2 3.82Å; N194-L196 HydrophobicContact CB-CG 4.21Å
195	E	93.5	Very high	90.7	Very high	83 Å²	83	45.8 Å²	45.8	39%	0.388	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	110.6	165	-59.6	-168.8	159.7	0	0	107.2	I123 Y125 R168 L192	I123-E195 HydrophobicContact CG2-CB 4.01Å; Y125-E195 HydrophobicContact CD1-CG 3.87Å; Y125-E195 HydrophobicContact CE1-CG 3.93Å; Y125-E195 WeakPolarHBondContact CE1-OE1 3.37Å; R168-E195 WeakPolarHBondContact CD-OE1 3.31Å; R168-E195 IonicContact CZ-OE1 3.7Å; R168-E195 IonicContact NE-OE1 2.75Å; R168-E195 IonicContact NH1-OE1 3.13Å; R168-E195 PolarHBondContact NH1-OE1 3.47Å; R168-E195 IonicContact NH1-OE2 2.79Å; L192-E195 HydrophobicContact CD2-CG 4.48Å
196	L	91	Very high	90.5	Very high	14 Å²	14	37.9 Å²	37.9	7%	0.073	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.6	-169.5	-56.7	170.4	0	0	0	110.4	L124 Q126 F164 N194 V202	L124-L196 HydrophobicContact CB-CB 4.24Å; L124-L196 HydrophobicContact CD2-CD1 4.34Å; L124-L196 PolarHBondContact N-O 3.41Å; L124-L196 VanDerWaalsContact O-CB 3.3Å; L124-L196 WeakPolarHBondContact O-CB 3.3Å; L124-L196 PolarHBondContact O-N 2.93Å; Q126-L196 HydrophobicContact CB-CD1 3.99Å; Q126-L196 HydrophobicContact CB-CG 4.44Å; F164-L196 HydrophobicContact CD1-CD1 4.36Å; F164-L196 HydrophobicContact CE1-CD1 3.94Å; N194-L196 HydrophobicContact CB-CD2 3.82Å; N194-L196 HydrophobicContact CB-CG 4.21Å; L196-V202 HydrophobicContact CD1-CB 4.02Å; L196-V202 HydrophobicContact CD1-CG1 3.74Å
197	P	88.4	Confident	90.3	Very high	67 Å²	67	38.2 Å²	38.2	44%	0.435	22%	0.217	S	C	.	.			trans	-68.4	159.3	172.8	29	-35.1	0	0	0	111.2	T199 S200	P197-T199 PolarHBondContact O-N 2.87Å; P197-T199 VanDerWaalsContact O-N 3.08Å; P197-S200 VanDerWaalsContact O-CB 3.23Å; P197-S200 WeakPolarHBondContact O-CB 3.29Å; P197-S200 PolarHBondContact O-N 3.27Å
198	P	85.3	Confident	89.9	Confident	35 Å²	35	37.4 Å²	37.4	23%	0.227	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-38.4	-177.9	-27.2	33	0	0	0	114	W122 S200 C203 Y207 I258	W122-P198 HydrophobicContact CE3-CB 4.46Å; W122-P198 HydrophobicContact CE3-CG 4.05Å; W122-P198 WeakPolarHBondContact O-CD 3.43Å; W122-P198 WeakPolarHBondContact O-CG 3.35Å; P198-S200 VanDerWaalsContact C-N 3.31Å; P198-S200 PolarHBondContact O-N 2.78Å; P198-C203 WeakPolarHBondContact O-CB 3.19Å; P198-C203 PolarHBondContact O-SG 3.37Å; P198-Y207 WeakPolarHBondContact CB-OH 3.44Å; P198-Y207 WeakPolarHBondContact O-CE2 3.49Å; P198-I258 VanDerWaalsContact C-CD1 3.44Å; P198-I258 HydrophobicContact CB-CD1 3.62Å; P198-I258 VanDerWaalsContact O-CD1 3.27Å; P198-I258 WeakPolarHBondContact O-CD1 3.39Å
199	T	84.8	Confident	89.4	Confident	77 Å²	77	40.6 Å²	40.6	47%	0.472	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-7.7	-176.7	50.9	0	0	0	0	114.3	P197 I258	P197-T199 PolarHBondContact O-N 2.87Å; P197-T199 VanDerWaalsContact O-N 3.08Å; T199-I258 HydrophobicContact CG2-CD1 4.14Å; T199-I258 HydrophobicContact CG2-CG1 4.46Å
200	S	86.8	Confident	89	Confident	19 Å²	19	39.8 Å²	39.8	13%	0.133	23%	0.225	C	C	.	.	S	Bend	trans	-58.3	136.5	179.1	173.8	0	0	0	0	111.4	P197 P198 V202 C203 I204	P197-S200 VanDerWaalsContact O-CB 3.23Å; P197-S200 WeakPolarHBondContact O-CB 3.29Å; P197-S200 PolarHBondContact O-N 3.27Å; P198-S200 VanDerWaalsContact C-N 3.31Å; P198-S200 PolarHBondContact O-N 2.78Å; S200-V202 PolarHBondContact O-N 3.24Å; S200-V202 VanDerWaalsContact O-N 3.12Å; S200-V202 PolarHBondContact OG-N 3.46Å; S200-C203 CarbonylContact O-C 3.57Å; S200-C203 WeakPolarHBondContact O-CA 3.39Å; S200-C203 VanDerWaalsContact O-CB 3.28Å; S200-C203 WeakPolarHBondContact O-CB 3.35Å; S200-C203 PolarHBondContact O-N 2.92Å; S200-I204 PolarHBondContact O-N 2.89Å
201	P	84.3	Confident	88.6	Confident	69 Å²	69	40.1 Å²	40.1	45%	0.448	23%	0.226	S	C	.	.	H	α-helix	trans	-54.5	-33.2	176.7	-28.2	35.7	0	0	0	113.9	I204 Q205	P201-I204 PolarHBondContact O-N 2.85Å; P201-Q205 WeakPolarHBondContact O-CG 3.3Å; P201-Q205 PolarHBondContact O-N 3Å
202	V	86.3	Confident	88.2	Confident	51 Å²	51	42.1 Å²	42.1	31%	0.309	23%	0.23	S	C	.	.	H	α-helix	trans	-66.2	-40.6	174.1	-177.7	0	0	0	0	110.7	F164 L196 S200 Q205 F206	F164-V202 HydrophobicContact CE1-CG1 3.8Å; F164-V202 HydrophobicContact CZ-CG1 4.01Å; L196-V202 HydrophobicContact CD1-CB 4.02Å; L196-V202 HydrophobicContact CD1-CG1 3.74Å; S200-V202 PolarHBondContact O-N 3.24Å; S200-V202 VanDerWaalsContact O-N 3.12Å; S200-V202 PolarHBondContact OG-N 3.46Å; V202-Q205 PolarHBondContact O-N 3.33Å; V202-F206 WeakPolarHBondContact O-CB 3.36Å; V202-F206 PolarHBondContact O-N 3.17Å
203	C	87.6	Confident	87.8	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.9	-39.4	175.5	-167.1	0	0	0	0	112.3	W122 P198 S200 Q205 F206 Y207	W122-C203 WeakPolarHBondContact CZ3-SG 3.37Å; P198-C203 WeakPolarHBondContact O-CB 3.19Å; P198-C203 PolarHBondContact O-SG 3.37Å; S200-C203 CarbonylContact O-C 3.57Å; S200-C203 WeakPolarHBondContact O-CA 3.39Å; S200-C203 VanDerWaalsContact O-CB 3.28Å; S200-C203 WeakPolarHBondContact O-CB 3.35Å; S200-C203 PolarHBondContact O-N 2.92Å; C203-Q205 PolarHBondContact O-N 3Å; C203-F206 CarbonylContact O-C 3.58Å; C203-F206 WeakPolarHBondContact O-CA 3.29Å; C203-F206 WeakPolarHBondContact O-CB 3.46Å; C203-F206 PolarHBondContact O-N 2.85Å; C203-Y207 WeakPolarHBondContact O-CD2 3.46Å; C203-Y207 PolarHBondContact O-N 3.45Å; C203-Y207 WeakPolarHBondContact SG-CE2 3.27Å; C203-Y207 PolarHBondContact SG-OH 3.23Å; C203-Y207 VanDerWaalsContact SG-OH 3.37Å
204	I	86.8	Confident	87.7	Confident	17 Å²	17	41 Å²	41	9%	0.087	22%	0.217	C	C	.	.	H	α-helix	trans	-61	-42.5	172.9	-59.2	-57	0	0	0	111.3	S200 P201 F206 Y207 N208 I251 L252 N253 I258	S200-I204 PolarHBondContact O-N 2.89Å; P201-I204 PolarHBondContact O-N 2.85Å; I204-F206 VanDerWaalsContact C-N 3.27Å; I204-F206 PolarHBondContact O-N 3.49Å; I204-Y207 HydrophobicContact CD1-CD2 4.2Å; I204-Y207 HydrophobicContact CD1-CE2 4.39Å; I204-N208 PolarHBondContact O-N 3.39Å; I204-N208 PolarHBondContact O-ND2 2.57Å; I204-I251 WeakPolarHBondContact CG2-O 3.2Å; I204-L252 HydrophobicContact CG2-CD2 4.27Å; I204-N253 HydrophobicContact CD1-CB 4.25Å; I204-I258 HydrophobicContact CD1-CD1 4.19Å; I204-I258 HydrophobicContact CD1-CG1 4.18Å; I204-I258 HydrophobicContact CD1-CG2 3.89Å
205	Q	85.6	Confident	87.6	Confident	91 Å²	91	37.3 Å²	37.3	43%	0.425	20%	0.197	S	C	.	.	H	α-helix	trans	-61.9	-36.9	172.5	-68.9	-178.2	23.5	0	0	112.2	P201 V202 C203 N208 L209	P201-Q205 WeakPolarHBondContact O-CG 3.3Å; P201-Q205 PolarHBondContact O-N 3Å; V202-Q205 PolarHBondContact O-N 3.33Å; C203-Q205 PolarHBondContact O-N 3Å; Q205-N208 PolarHBondContact O-N 2.69Å; Q205-L209 PolarHBondContact O-N 3.3Å; Q205-L209 VanDerWaalsContact O-N 3.11Å
206	F	86.3	Confident	87.4	Confident	6 Å²	6	40.6 Å²	40.6	3%	0.026	21%	0.206	C	C	.	.	H	α-helix	trans	-69.5	-41.9	178.6	173.6	-92.4	0	0	0	113.4	W122 L124 N157 F164 V202 C203 I204 N208 L209 I210 W435	W122-F206 HydrophobicContact CH2-CE1 4.39Å; L124-F206 HydrophobicContact CD1-CD1 4.05Å; L124-F206 HydrophobicContact CD1-CE1 3.66Å; L124-F206 HydrophobicContact CD1-CE2 4.19Å; L124-F206 HydrophobicContact CD1-CG 4.48Å; L124-F206 HydrophobicContact CD1-CZ 3.78Å; L124-F206 HydrophobicContact CD2-CB 3.89Å; L124-F206 HydrophobicContact CD2-CD1 3.57Å; L124-F206 HydrophobicContact CD2-CD2 3.97Å; L124-F206 HydrophobicContact CD2-CE1 4.08Å; L124-F206 HydrophobicContact CD2-CE2 4.44Å; L124-F206 HydrophobicContact CD2-CG 3.52Å; L124-F206 HydrophobicContact CG-CD1 4.46Å; N157-F206 HydrophobicContact CB-CE2 3.85Å; N157-F206 WeakPolarHBondContact ND2-CE2 3.39Å; F164-F206 HydrophobicContact CB-CD2 4.31Å; F164-F206 HydrophobicContact CB-CE2 4.03Å; F164-F206 HydrophobicContact CG-CD2 4.34Å; V202-F206 WeakPolarHBondContact O-CB 3.36Å; V202-F206 PolarHBondContact O-N 3.17Å; C203-F206 CarbonylContact O-C 3.58Å; C203-F206 WeakPolarHBondContact O-CA 3.29Å; C203-F206 WeakPolarHBondContact O-CB 3.46Å; C203-F206 PolarHBondContact O-N 2.85Å; I204-F206 VanDerWaalsContact C-N 3.27Å; I204-F206 PolarHBondContact O-N 3.49Å; F206-N208 VanDerWaalsContact C-N 3.32Å; F206-N208 PolarHBondContact O-N 3.2Å; F206-L209 CarbonylContact O-C 3.6Å; F206-L209 WeakPolarHBondContact O-CA 3.32Å; F206-L209 VanDerWaalsContact O-CB 3.3Å; F206-L209 WeakPolarHBondContact O-CB 3.21Å; F206-L209 PolarHBondContact O-N 3.2Å; F206-I210 HydrophobicContact CD1-CD1 4.13Å; F206-I210 HydrophobicContact CE1-CD1 3.29Å; F206-I210 HydrophobicContact CE1-CG1 3.96Å; F206-I210 HydrophobicContact CZ-CD1 3.57Å; F206-I210 HydrophobicContact CZ-CG1 3.92Å; F206-I210 PolarHBondContact O-N 3.38Å; F206-W435 HydrophobicContact CE1-CD2 4.32Å; F206-W435 HydrophobicContact CE1-CE3 4Å; F206-W435 HydrophobicContact CE1-CZ3 4.24Å; F206-W435 AromaticContact CE2-CH2 3.9Å; F206-W435 HydrophobicContact CE2-CH2 3.9Å; F206-W435 HydrophobicContact CE2-CZ2 4.25Å; F206-W435 HydrophobicContact CE2-CZ3 4.03Å; F206-W435 AromaticContact CZ-CD2 3.75Å; F206-W435 HydrophobicContact CZ-CD2 3.75Å; F206-W435 AromaticContact CZ-CE2 3.91Å; F206-W435 AromaticContact CZ-CE3 3.46Å; F206-W435 HydrophobicContact CZ-CE3 3.46Å; F206-W435 VanDerWaalsContact CZ-CE3 3.46Å; F206-W435 AromaticContact CZ-CH2 3.59Å; F206-W435 HydrophobicContact CZ-CH2 3.59Å; F206-W435 AromaticContact CZ-CZ2 3.86Å; F206-W435 HydrophobicContact CZ-CZ2 3.86Å; F206-W435 AromaticContact CZ-CZ3 3.37Å; F206-W435 HydrophobicContact CZ-CZ3 3.37Å
207	Y	88.1	Confident	87.4	Confident	7 Å²	7	42.2 Å²	42.2	3%	0.027	22%	0.216	C	C	.	.	H	α-helix	trans	-60.9	-42.2	171.4	-62.1	-46.3	0	0	0	111.5	W122 P198 C203 I204 L209 I210 F211 I251 I258 L437	W122-Y207 AromaticContact CH2-CE1 3.61Å; W122-Y207 HydrophobicContact CH2-CE1 3.61Å; W122-Y207 AromaticContact CH2-CZ 3.9Å; W122-Y207 HydrophobicContact CZ2-CE1 4.04Å; W122-Y207 HydrophobicContact CZ3-CE1 4.11Å; W122-Y207 AromaticContact CZ3-CZ 3.9Å; W122-Y207 WeakPolarHBondContact CZ3-OH 3.45Å; P198-Y207 WeakPolarHBondContact CB-OH 3.44Å; P198-Y207 WeakPolarHBondContact O-CE2 3.49Å; C203-Y207 WeakPolarHBondContact O-CD2 3.46Å; C203-Y207 PolarHBondContact O-N 3.45Å; C203-Y207 WeakPolarHBondContact SG-CE2 3.27Å; C203-Y207 PolarHBondContact SG-OH 3.23Å; C203-Y207 VanDerWaalsContact SG-OH 3.37Å; I204-Y207 HydrophobicContact CD1-CD2 4.2Å; I204-Y207 HydrophobicContact CD1-CE2 4.39Å; Y207-L209 PolarHBondContact O-N 2.8Å; Y207-L209 VanDerWaalsContact O-N 3.15Å; Y207-I210 PolarHBondContact O-N 3.4Å; Y207-F211 WeakPolarHBondContact O-CB 3.06Å; Y207-F211 PolarHBondContact O-N 2.88Å; Y207-I251 HydrophobicContact CD2-CG2 4.4Å; Y207-I258 HydrophobicContact CD2-CG2 4.13Å; Y207-I258 HydrophobicContact CE2-CD1 4.01Å; Y207-I258 HydrophobicContact CE2-CG2 4.16Å; Y207-L437 HydrophobicContact CD1-CD1 3.67Å; Y207-L437 HydrophobicContact CE1-CD1 3.63Å; Y207-L437 HydrophobicContact CE1-CD2 3.9Å; Y207-L437 HydrophobicContact CE1-CG 4.43Å
208	N	87.1	Confident	87.5	Confident	31 Å²	31	40.3 Å²	40.3	17%	0.166	20%	0.203	C	C	.	.	H	α-helix	trans	-62.8	-16.1	171.3	-78.1	-83.5	0	0	0	113.1	I204 Q205 F206 R212 I251	I204-N208 PolarHBondContact O-N 3.39Å; I204-N208 PolarHBondContact O-ND2 2.57Å; Q205-N208 PolarHBondContact O-N 2.69Å; F206-N208 VanDerWaalsContact C-N 3.32Å; F206-N208 PolarHBondContact O-N 3.2Å; N208-R212 VanDerWaalsContact O-CG 3.23Å; N208-R212 WeakPolarHBondContact O-CG 3.43Å; N208-R212 PolarHBondContact O-NH1 2.97Å; N208-I251 PolarHBondContact ND2-O 2.96Å; N208-I251 PolarHBondContact OD1-N 2.94Å
209	L	85	Confident	87.7	Confident	67 Å²	67	43.9 Å²	43.9	35%	0.351	22%	0.219	S	C	.	.	H	α-helix	trans	-90.1	-41	174.9	-178.1	56.9	0	0	0	112.2	N157 Q205 F206 Y207 F211 R212 R213	N157-L209 WeakPolarHBondContact ND2-CD2 3.48Å; Q205-L209 PolarHBondContact O-N 3.3Å; Q205-L209 VanDerWaalsContact O-N 3.11Å; F206-L209 CarbonylContact O-C 3.6Å; F206-L209 WeakPolarHBondContact O-CA 3.32Å; F206-L209 VanDerWaalsContact O-CB 3.3Å; F206-L209 WeakPolarHBondContact O-CB 3.21Å; F206-L209 PolarHBondContact O-N 3.2Å; Y207-L209 PolarHBondContact O-N 2.8Å; Y207-L209 VanDerWaalsContact O-N 3.15Å; L209-F211 VanDerWaalsContact C-N 3.35Å; L209-R212 PolarHBondContact O-N 2.72Å; L209-R213 PolarHBondContact O-N 2.96Å
210	I	86.9	Confident	87.9	Confident	2 Å²	2	41 Å²	41	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-57.8	-49	168.7	-70.2	176.2	0	0	0	109.9	F206 Y207 R212 R213 I214 M432 W435 L437	F206-I210 HydrophobicContact CD1-CD1 4.13Å; F206-I210 HydrophobicContact CE1-CD1 3.29Å; F206-I210 HydrophobicContact CE1-CG1 3.96Å; F206-I210 HydrophobicContact CZ-CD1 3.57Å; F206-I210 HydrophobicContact CZ-CG1 3.92Å; F206-I210 PolarHBondContact O-N 3.38Å; Y207-I210 PolarHBondContact O-N 3.4Å; I210-R212 VanDerWaalsContact C-N 3.25Å; I210-R212 PolarHBondContact O-N 2.66Å; I210-R213 WeakPolarHBondContact O-CA 3.48Å; I210-R213 VanDerWaalsContact O-CB 3.22Å; I210-R213 WeakPolarHBondContact O-CB 3.44Å; I210-R213 PolarHBondContact O-N 3.34Å; I210-I214 HydrophobicContact CG2-CD1 4.03Å; I210-I214 PolarHBondContact O-N 3.19Å; I210-M432 HydrophobicContact CG2-SD 3.95Å; I210-W435 HydrophobicContact CD1-CB 3.86Å; I210-W435 VanDerWaalsContact CD1-CD1 3.49Å; I210-W435 HydrophobicContact CD1-CD2 3.89Å; I210-W435 HydrophobicContact CD1-CG 3.46Å; I210-W435 VanDerWaalsContact CD1-CG 3.46Å; I210-W435 HydrophobicContact CG1-CG 4.41Å; I210-L437 HydrophobicContact CD1-CD1 3.77Å
211	F	88	Confident	87.9	Confident	7 Å²	7	42.4 Å²	42.4	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-63.1	-33.9	-175.6	-166.3	-112.3	0	0	0	112.7	Y207 L209 R213 I214 L215 T249 I251 M260 F418 I422 F439	Y207-F211 WeakPolarHBondContact O-CB 3.06Å; Y207-F211 PolarHBondContact O-N 2.88Å; L209-F211 VanDerWaalsContact C-N 3.35Å; F211-R213 PolarHBondContact O-N 3.44Å; F211-I214 HydrophobicContact CD2-CB 4.47Å; F211-I214 HydrophobicContact CD2-CD1 4.14Å; F211-I214 PolarHBondContact O-N 3.42Å; F211-L215 HydrophobicContact CD1-CD1 3.65Å; F211-L215 HydrophobicContact CD1-CG 4.09Å; F211-L215 HydrophobicContact CE1-CD1 3.54Å; F211-L215 HydrophobicContact CE1-CD2 3.9Å; F211-L215 HydrophobicContact CE1-CG 3.79Å; F211-L215 HydrophobicContact CZ-CD1 4.38Å; F211-L215 HydrophobicContact CZ-CD2 3.97Å; F211-L215 HydrophobicContact CZ-CG 4.15Å; F211-L215 WeakPolarHBondContact O-CG 3.17Å; F211-L215 PolarHBondContact O-N 3.45Å; F211-T249 HydrophobicContact CE1-CG2 3.82Å; F211-T249 HydrophobicContact CZ-CG2 4.35Å; F211-I251 HydrophobicContact CB-CD1 3.72Å; F211-I251 HydrophobicContact CD1-CD1 4.48Å; F211-I251 HydrophobicContact CG-CD1 4.02Å; F211-M260 HydrophobicContact CD1-SD 4.08Å; F211-M260 HydrophobicContact CD2-SD 4.01Å; F211-M260 HydrophobicContact CE1-SD 3.53Å; F211-M260 VanDerWaalsContact CE1-SD 3.53Å; F211-M260 HydrophobicContact CE2-CE 4.03Å; F211-M260 HydrophobicContact CE2-SD 3.46Å; F211-M260 WeakPolarHBondContact CE2-SD 3.34Å; F211-M260 HydrophobicContact CG-SD 4.3Å; F211-M260 HydrophobicContact CZ-CE 3.97Å; F211-M260 HydrophobicContact CZ-SD 3.18Å; F211-M260 WeakPolarHBondContact CZ-SD 3.39Å; F211-F418 HydrophobicContact CZ-CE1 4.09Å; F211-F418 AromaticContact CZ-CZ 3.81Å; F211-F418 HydrophobicContact CZ-CZ 3.81Å; F211-I422 HydrophobicContact CE2-CD1 3.96Å; F211-I422 HydrophobicContact CZ-CD1 4.24Å; F211-F439 AromaticContact CD2-CE2 3.83Å; F211-F439 HydrophobicContact CD2-CE2 3.83Å; F211-F439 AromaticContact CD2-CZ 3.51Å; F211-F439 HydrophobicContact CD2-CZ 3.51Å; F211-F439 AromaticContact CE2-CE2 3.8Å; F211-F439 HydrophobicContact CE2-CE2 3.8Å; F211-F439 AromaticContact CE2-CZ 3.69Å; F211-F439 HydrophobicContact CE2-CZ 3.69Å; F211-F439 HydrophobicContact CG-CZ 4.5Å
212	R	87.3	Confident	87.9	Confident	79 Å²	79	44 Å²	44	30%	0.298	21%	0.207	S	C	.	.	H	α-helix	trans	-66.9	-13.8	169.6	-73.6	-176.3	-165	114.2	0.9	114.5	N208 L209 I210 R216 Y227	N208-R212 VanDerWaalsContact O-CG 3.23Å; N208-R212 WeakPolarHBondContact O-CG 3.43Å; N208-R212 PolarHBondContact O-NH1 2.97Å; L209-R212 PolarHBondContact O-N 2.72Å; I210-R212 VanDerWaalsContact C-N 3.25Å; I210-R212 PolarHBondContact O-N 2.66Å; R212-R216 VanDerWaalsContact O-CZ 3.28Å; R212-R216 PolarHBondContact O-NE 3.43Å; R212-R216 PolarHBondContact O-NH2 2.62Å; R212-Y227 WeakPolarHBondContact CD-OH 3.41Å; R212-Y227 WeakPolarHBondContact CG-OH 3.4Å; R212-Y227 PolarHBondContact NE-OH 2.83Å
213	R	88.1	Confident	87.6	Confident	61 Å²	61	42.3 Å²	42.3	23%	0.23	20%	0.196	C	C	.	.	H	α-helix	trans	-79.8	-49.4	167.5	-58	-179.9	179.7	-166.5	0.2	109.6	R156 N157 L209 I210 F211 L215 R216 V217 E431	R156-R213 PolarHBondContact O-NH2 3.16Å; N157-R213 PolarHBondContact OD1-NH2 3.08Å; N157-R213 VanDerWaalsContact OD1-NH2 3.1Å; L209-R213 PolarHBondContact O-N 2.96Å; I210-R213 WeakPolarHBondContact O-CA 3.48Å; I210-R213 VanDerWaalsContact O-CB 3.22Å; I210-R213 WeakPolarHBondContact O-CB 3.44Å; I210-R213 PolarHBondContact O-N 3.34Å; F211-R213 PolarHBondContact O-N 3.44Å; R213-L215 VanDerWaalsContact C-N 3.34Å; R213-L215 PolarHBondContact O-N 3.36Å; R213-R216 WeakPolarHBondContact O-CA 3.21Å; R213-R216 WeakPolarHBondContact O-CB 3.39Å; R213-R216 PolarHBondContact O-N 2.89Å; R213-V217 PolarHBondContact O-N 3.2Å; R213-E431 HydrophobicContact CB-CG 4.37Å; R213-E431 WeakPolarHBondContact CD-OE1 3.43Å; R213-E431 IonicContact CZ-OE1 3.43Å; R213-E431 IonicContact NE-OE1 3.84Å; R213-E431 IonicContact NH1-OE1 3.66Å; R213-E431 PolarHBondContact NH1-OE1 2.83Å
214	I	91.5	Very high	87.1	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-55.3	-46.6	178.7	-65	163.3	0	0	0	111.9	I210 F211 R216 V217 L218 I422 A428 M432 F439	I210-I214 HydrophobicContact CG2-CD1 4.03Å; I210-I214 PolarHBondContact O-N 3.19Å; F211-I214 HydrophobicContact CD2-CB 4.47Å; F211-I214 HydrophobicContact CD2-CD1 4.14Å; F211-I214 PolarHBondContact O-N 3.42Å; I214-R216 PolarHBondContact O-N 3.13Å; I214-V217 WeakPolarHBondContact O-CB 3.42Å; I214-V217 PolarHBondContact O-N 2.95Å; I214-L218 HydrophobicContact CG2-CD1 4.24Å; I214-L218 PolarHBondContact O-N 3.06Å; I214-I422 HydrophobicContact CG2-CG1 4.23Å; I214-I422 HydrophobicContact CG2-CG2 4.33Å; I214-A428 HydrophobicContact CG2-CB 3.95Å; I214-M432 HydrophobicContact CD1-CG 3.38Å; I214-M432 HydrophobicContact CD1-SD 3.35Å; I214-M432 WeakPolarHBondContact CD1-SD 3.46Å; I214-M432 HydrophobicContact CG1-CG 4.39Å; I214-F439 HydrophobicContact CD1-CE2 4.44Å
215	L	91.6	Very high	86.7	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.3	-30.3	177.4	-67.2	168.1	0	0	0	113.1	F211 R213 M220 Y227 F418	F211-L215 HydrophobicContact CD1-CD1 3.65Å; F211-L215 HydrophobicContact CD1-CG 4.09Å; F211-L215 HydrophobicContact CE1-CD1 3.54Å; F211-L215 HydrophobicContact CE1-CD2 3.9Å; F211-L215 HydrophobicContact CE1-CG 3.79Å; F211-L215 HydrophobicContact CZ-CD1 4.38Å; F211-L215 HydrophobicContact CZ-CD2 3.97Å; F211-L215 HydrophobicContact CZ-CG 4.15Å; F211-L215 WeakPolarHBondContact O-CG 3.17Å; F211-L215 PolarHBondContact O-N 3.45Å; R213-L215 VanDerWaalsContact C-N 3.34Å; R213-L215 PolarHBondContact O-N 3.36Å; L215-M220 HydrophobicContact CD2-SD 3.86Å; L215-M220 WeakPolarHBondContact O-CA 3.48Å; L215-M220 VanDerWaalsContact O-CB 3.26Å; L215-M220 WeakPolarHBondContact O-CB 3.34Å; L215-M220 PolarHBondContact O-N 3.12Å; L215-Y227 HydrophobicContact CB-CD1 4.05Å; L215-Y227 HydrophobicContact CB-CE1 4.42Å; L215-Y227 HydrophobicContact CB-CG 4.44Å; L215-Y227 HydrophobicContact CD1-CD1 3.82Å; L215-Y227 HydrophobicContact CD1-CD2 3.56Å; L215-Y227 HydrophobicContact CD1-CE1 3.95Å; L215-Y227 HydrophobicContact CD1-CE2 3.74Å; L215-Y227 HydrophobicContact CD1-CG 3.64Å; L215-Y227 HydrophobicContact CG-CD1 4.5Å; L215-Y227 HydrophobicContact CG-CG 4.45Å; L215-F418 HydrophobicContact CD2-CE2 4.09Å; L215-F418 HydrophobicContact CD2-CZ 3.84Å
216	R	88.6	Confident	86.9	Confident	152 Å²	152	51.8 Å²	51.8	57%	0.574	25%	0.247	S	C	*	.	H	α-helix	trans	-76.6	-36.1	173.5	-80.8	175.6	-76.9	150.1	-1.8	112.5	R212 R213 I214 L218 N219	R212-R216 VanDerWaalsContact O-CZ 3.28Å; R212-R216 PolarHBondContact O-NE 3.43Å; R212-R216 PolarHBondContact O-NH2 2.62Å; R213-R216 WeakPolarHBondContact O-CA 3.21Å; R213-R216 WeakPolarHBondContact O-CB 3.39Å; R213-R216 PolarHBondContact O-N 2.89Å; I214-R216 PolarHBondContact O-N 3.13Å; R216-L218 VanDerWaalsContact C-N 3.28Å; R216-L218 PolarHBondContact O-N 3.04Å; R216-N219 WeakPolarHBondContact O-CA 3.28Å; R216-N219 PolarHBondContact O-N 2.87Å
217	V	91.3	Very high	87.1	Confident	48 Å²	48	52.1 Å²	52.1	29%	0.291	25%	0.248	S	C	.	.	H	α-helix	trans	-61.5	-38.9	172	171.7	0	0	0	0	110.8	R213 I214 N219 N425 D427 A428	R213-V217 PolarHBondContact O-N 3.2Å; I214-V217 WeakPolarHBondContact O-CB 3.42Å; I214-V217 PolarHBondContact O-N 2.95Å; V217-N219 PolarHBondContact O-N 3.3Å; V217-N219 VanDerWaalsContact O-N 3.13Å; V217-N425 WeakPolarHBondContact CG1-OD1 3.36Å; V217-D427 HydrophobicContact CG1-CB 3.46Å; V217-D427 VanDerWaalsContact CG1-CB 3.46Å; V217-A428 HydrophobicContact CG1-CB 4.33Å
218	L	90.4	Very high	87.2	Confident	28 Å²	28	52.5 Å²	52.5	15%	0.147	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	14	171.5	-62.3	179	0	0	0	114.1	I214 R216 M220 F418 I422 N425	I214-L218 HydrophobicContact CG2-CD1 4.24Å; I214-L218 PolarHBondContact O-N 3.06Å; R216-L218 VanDerWaalsContact C-N 3.28Å; R216-L218 PolarHBondContact O-N 3.04Å; L218-M220 HydrophobicContact CB-CG 4.11Å; L218-M220 PolarHBondContact O-N 3.06Å; L218-F418 HydrophobicContact CD1-CE2 4.49Å; L218-I422 HydrophobicContact CD1-CG1 3.61Å; L218-N425 HydrophobicContact CD2-CB 3.72Å
219	N	88.8	Confident	87.3	Confident	109 Å²	109	52.2 Å²	52.2	58%	0.583	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	19.9	-178.3	-67.5	-67.2	0	0	0	115.4	R216 V217	R216-N219 WeakPolarHBondContact O-CA 3.28Å; R216-N219 PolarHBondContact O-N 2.87Å; V217-N219 PolarHBondContact O-N 3.3Å; V217-N219 VanDerWaalsContact O-N 3.13Å
220	M	90.5	Very high	87.3	Confident	16 Å²	16	50 Å²	50	8%	0.079	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-78.7	132.7	179.6	-55.4	-159.9	75.3	0	0	111.9	L215 L218 Y227 Y228 N229 Y247 F418	L215-M220 HydrophobicContact CD2-SD 3.86Å; L215-M220 WeakPolarHBondContact O-CA 3.48Å; L215-M220 VanDerWaalsContact O-CB 3.26Å; L215-M220 WeakPolarHBondContact O-CB 3.34Å; L215-M220 PolarHBondContact O-N 3.12Å; L218-M220 HydrophobicContact CB-CG 4.11Å; L218-M220 PolarHBondContact O-N 3.06Å; M220-Y227 WeakPolarHBondContact CE-O 3.39Å; M220-Y228 CarbonylContact C-O 3.53Å; M220-Y228 WeakPolarHBondContact CA-O 3.07Å; M220-N229 HydrophobicContact CE-CB 4.46Å; M220-Y247 HydrophobicContact CE-CD2 3.74Å; M220-Y247 HydrophobicContact CE-CE2 4.06Å; M220-Y247 HydrophobicContact SD-CD2 4.14Å; M220-F418 HydrophobicContact SD-CE2 3.9Å
221	Q	85.3	Confident	87.2	Confident	50 Å²	50	55.5 Å²	55.5	23%	0.234	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	130.1	-177.6	-63.8	-174.1	-8.5	0	0	111.8	I223 Y227 Y228 P230 N309	Q221-I223 PolarHBondContact O-N 3.34Å; Q221-Y227 CarbonylContact O-C 3.53Å; Q221-Y227 WeakPolarHBondContact O-CA 3.29Å; Q221-Y228 PolarHBondContact N-O 2.55Å; Q221-Y228 PolarHBondContact O-N 2.89Å; Q221-P230 HydrophobicContact CG-CG 3.98Å; Q221-N309 PolarHBondContact NE2-ND2 2.83Å; Q221-N309 VanDerWaalsContact NE2-ND2 3.11Å; Q221-N309 PolarHBondContact OE1-ND2 3.13Å; Q221-N309 VanDerWaalsContact OE1-ND2 3.16Å; Q221-N309 PolarHBondContact OE1-OD1 2.81Å
222	Q	85.3	Confident	87.1	Confident	102 Å²	102	60.6 Å²	60.6	48%	0.477	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	118.4	178.3	-168.7	178.2	-25.8	0	0	111.4	G224 N226 Y227	Q222-G224 PolarHBondContact NE2-O 2.97Å; Q222-N226 WeakPolarHBondContact CA-O 3.25Å; Q222-Y227 HydrophobicContact CB-CD1 3.77Å; Q222-Y227 HydrophobicContact CB-CE1 3.45Å; Q222-Y227 VanDerWaalsContact CB-CE1 3.45Å; Q222-Y227 HydrophobicContact CG-CD1 4.12Å; Q222-Y227 HydrophobicContact CG-CE1 3.56Å; Q222-Y227 HydrophobicContact CG-CE2 4.32Å; Q222-Y227 PolarHBondContact OE1-OH 3.08Å
223	I	78.9	Confident	87.1	Confident	15 Å²	15	59.7 Å²	59.7	8%	0.077	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	102.4	170	-55.2	175.4	0	0	0	108.5	Q221 R225 N226 Y228 W244 K267 T311	Q221-I223 PolarHBondContact O-N 3.34Å; I223-R225 PolarHBondContact O-N 3.35Å; I223-N226 PolarHBondContact N-O 3.01Å; I223-N226 PolarHBondContact O-N 3Å; I223-Y228 HydrophobicContact CB-CD2 3.88Å; I223-Y228 HydrophobicContact CB-CE2 3.86Å; I223-Y228 HydrophobicContact CD1-CD2 4.07Å; I223-Y228 HydrophobicContact CG1-CD2 4.08Å; I223-W244 HydrophobicContact CD1-CE3 3.98Å; I223-W244 HydrophobicContact CD1-CZ3 3.91Å; I223-K267 HydrophobicContact CD1-CD 4.39Å; I223-K267 HydrophobicContact CD1-CG 4.05Å; I223-K267 HydrophobicContact CG2-CD 4.13Å; I223-T311 HydrophobicContact CG2-CG2 4.29Å
224	G	78.7	Confident	87.1	Confident	58 Å²	58	60.8 Å²	60.8	60%	0.598	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	-117	-173.3	0	0	0	0	0	111.6	Q222	Q222-G224 PolarHBondContact NE2-O 2.97Å
225	R	77.6	Confident	87	Confident	220 Å²	220	65.2 Å²	65.2	83%	0.83	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-8.2	177.2	-64.8	-173.5	-179.2	-173.8	0	113.9	I223	I223-R225 PolarHBondContact O-N 3.35Å
226	N	88.8	Confident	86.9	Confident	30 Å²	30	65.3 Å²	65.3	16%	0.16	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	161.1	-171.1	-59.7	10	0	0	0	110.5	Q222 I223 Y228 S248 S265	Q222-N226 WeakPolarHBondContact CA-O 3.25Å; I223-N226 PolarHBondContact N-O 3.01Å; I223-N226 PolarHBondContact O-N 3Å; N226-Y228 HydrophobicContact CB-CE2 3.59Å; N226-Y228 WeakPolarHBondContact CB-OH 3.21Å; N226-Y228 PolarHBondContact ND2-OH 3.2Å; N226-S248 PolarHBondContact OD1-OG 2.69Å; N226-S265 PolarHBondContact ND2-OG 3.46Å
227	Y	90.8	Very high	86.7	Confident	12 Å²	12	67.8 Å²	67.8	5%	0.047	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	133.8	-176.4	-62.3	-97.1	0	0	0	109.7	R212 L215 M220 Q221 Q222 G246 Y247	R212-Y227 WeakPolarHBondContact CD-OH 3.41Å; R212-Y227 WeakPolarHBondContact CG-OH 3.4Å; R212-Y227 PolarHBondContact NE-OH 2.83Å; L215-Y227 HydrophobicContact CB-CD1 4.05Å; L215-Y227 HydrophobicContact CB-CE1 4.42Å; L215-Y227 HydrophobicContact CB-CG 4.44Å; L215-Y227 HydrophobicContact CD1-CD1 3.82Å; L215-Y227 HydrophobicContact CD1-CD2 3.56Å; L215-Y227 HydrophobicContact CD1-CE1 3.95Å; L215-Y227 HydrophobicContact CD1-CE2 3.74Å; L215-Y227 HydrophobicContact CD1-CG 3.64Å; L215-Y227 HydrophobicContact CG-CD1 4.5Å; L215-Y227 HydrophobicContact CG-CG 4.45Å; M220-Y227 WeakPolarHBondContact CE-O 3.39Å; Q221-Y227 CarbonylContact O-C 3.53Å; Q221-Y227 WeakPolarHBondContact O-CA 3.29Å; Q222-Y227 HydrophobicContact CB-CD1 3.77Å; Q222-Y227 HydrophobicContact CB-CE1 3.45Å; Q222-Y227 VanDerWaalsContact CB-CE1 3.45Å; Q222-Y227 HydrophobicContact CG-CD1 4.12Å; Q222-Y227 HydrophobicContact CG-CE1 3.56Å; Q222-Y227 HydrophobicContact CG-CE2 4.32Å; Q222-Y227 PolarHBondContact OE1-OH 3.08Å; Y227-G246 CarbonylContact O-C 3.59Å; Y227-G246 WeakPolarHBondContact O-CA 3.36Å; Y227-Y247 PolarHBondContact N-O 2.82Å; Y227-Y247 PolarHBondContact O-N 2.97Å
228	Y	90.6	Very high	86.5	Confident	15 Å²	15	73.1 Å²	73.1	6%	0.059	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	147.1	-172.7	-58.5	-83.9	0	0	0	111.2	M220 Q221 I223 N226 P230 P245 S265 K267	M220-Y228 CarbonylContact C-O 3.53Å; M220-Y228 WeakPolarHBondContact CA-O 3.07Å; Q221-Y228 PolarHBondContact N-O 2.55Å; Q221-Y228 PolarHBondContact O-N 2.89Å; I223-Y228 HydrophobicContact CB-CD2 3.88Å; I223-Y228 HydrophobicContact CB-CE2 3.86Å; I223-Y228 HydrophobicContact CD1-CD2 4.07Å; I223-Y228 HydrophobicContact CG1-CD2 4.08Å; N226-Y228 HydrophobicContact CB-CE2 3.59Å; N226-Y228 WeakPolarHBondContact CB-OH 3.21Å; N226-Y228 PolarHBondContact ND2-OH 3.2Å; Y228-P230 WeakPolarHBondContact O-CD 3.47Å; Y228-P245 CarbonylContact C-O 3.57Å; Y228-P245 VanDerWaalsContact CA-O 3.27Å; Y228-P245 WeakPolarHBondContact CA-O 3.17Å; Y228-S265 PolarHBondContact OH-OG 2.93Å; Y228-K267 HydrophobicContact CD1-CB 3.65Å; Y228-K267 HydrophobicContact CD2-CB 4.17Å; Y228-K267 HydrophobicContact CE1-CB 3.6Å; Y228-K267 HydrophobicContact CE2-CB 4.12Å; Y228-K267 HydrophobicContact CG-CB 3.94Å
229	N	89.8	Confident	86.2	Confident	26 Å²	26	73.8 Å²	73.8	14%	0.139	36%	0.358	C	S	.	.			trans	-90.8	111.2	173.4	-171.9	2.8	0	0	0	109.6	M220 N231 E232 P245	M220-N229 HydrophobicContact CE-CB 4.46Å; N229-N231 VanDerWaalsContact C-N 3.29Å; N229-N231 WeakPolarHBondContact OD1-CB 3.37Å; N229-N231 PolarHBondContact OD1-N 2.83Å; N229-E232 VanDerWaalsContact ND2-CG 3.3Å; N229-E232 WeakPolarHBondContact ND2-CG 3.27Å; N229-E232 PolarHBondContact ND2-OE2 2.96Å; N229-P245 PolarHBondContact N-O 2.89Å
230	P	84.1	Confident	86.1	Confident	21 Å²	21	73.1 Å²	73.1	14%	0.136	35%	0.35	C	S	.	.	S	Bend	trans	-76.3	-17.5	175.9	35.2	-39.2	0	0	0	112.7	Q221 Y228 P233 W244	Q221-P230 HydrophobicContact CG-CG 3.98Å; Y228-P230 WeakPolarHBondContact O-CD 3.47Å; P230-P233 WeakPolarHBondContact O-CD 3.46Å; P230-W244 HydrophobicContact CB-CD2 4.27Å; P230-W244 HydrophobicContact CB-CE3 4.3Å; P230-W244 HydrophobicContact CB-CH2 3.97Å; P230-W244 HydrophobicContact CB-CZ2 3.92Å; P230-W244 HydrophobicContact CB-CZ3 4.14Å
231	N	85.2	Confident	86	Confident	117 Å²	117	72.4 Å²	72.4	63%	0.626	35%	0.346	S	S	*	.	S	Bend	trans	-85.5	-11.8	-173.5	-57.9	-17.2	0	0	0	112.9	N229 P233	N229-N231 VanDerWaalsContact C-N 3.29Å; N229-N231 WeakPolarHBondContact OD1-CB 3.37Å; N229-N231 PolarHBondContact OD1-N 2.83Å; N231-P233 WeakPolarHBondContact O-CD 3.4Å
232	E	85.3	Confident	86.2	Confident	113 Å²	113	70.8 Å²	70.8	53%	0.528	34%	0.34	S	S	.	.	S	Bend	trans	-116.5	56.4	173.4	-67.2	174.8	137.7	0	0	111.1	N229 P245	N229-E232 VanDerWaalsContact ND2-CG 3.3Å; N229-E232 WeakPolarHBondContact ND2-CG 3.27Å; N229-E232 PolarHBondContact ND2-OE2 2.96Å; E232-P245 HydrophobicContact CB-CG 4.18Å; E232-P245 WeakPolarHBondContact O-CD 3.39Å; E232-P245 WeakPolarHBondContact O-CG 3.41Å
233	P	87.4	Confident	86.4	Confident	61 Å²	61	66 Å²	66	40%	0.396	32%	0.318	S	S	.	.			trans	-73.7	140.4	-178	33.2	-34.7	0	0	0	111.1	P230 N231 T242	P230-P233 WeakPolarHBondContact O-CD 3.46Å; N231-P233 WeakPolarHBondContact O-CD 3.4Å; P233-T242 HydrophobicContact CB-CG2 3.76Å
234	H	89.2	Confident	86.9	Confident	84 Å²	84	66.2 Å²	66.2	39%	0.389	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	120.6	168.6	-169.3	70.8	0	0	0	110.7	T242 I243 H403	H234-T242 WeakPolarHBondContact O-CA 3.35Å; H234-I243 HydrophobicContact CB-CB 4.4Å; H234-I243 PolarHBondContact N-O 3.07Å; H234-I243 PolarHBondContact O-N 2.94Å; H234-H403 AromaticContact CD2-CE1 3.75Å; H234-H403 AromaticContact CD2-CG 3.78Å; H234-H403 AromaticContact CD2-ND1 3.54Å; H234-H403 AromaticContact CE1-CE1 3.69Å; H234-H403 AromaticContact CE1-ND1 3.97Å; H234-H403 AromaticContact NE2-CD2 3.96Å; H234-H403 AromaticContact NE2-CE1 3.11Å; H234-H403 PolarHBondContact NE2-CE1 2.7Å; H234-H403 AromaticContact NE2-CG 3.93Å; H234-H403 AromaticContact NE2-ND1 3.4Å; H234-H403 PolarHBondContact NE2-ND1 2.79Å; H234-H403 AromaticContact NE2-NE2 3.54Å
235	E	89.6	Confident	87.6	Confident	92 Å²	92	64.7 Å²	64.7	43%	0.43	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	121.6	-174.9	-61.6	-167.5	137.6	0	0	112.9	R237	E235-R237 HydrophobicContact CB-CG 4.05Å; E235-R237 PolarHBondContact O-N 2.79Å; E235-R237 IonicContact OE2-CZ 2.71Å; E235-R237 IonicContact OE2-NE 2.61Å; E235-R237 PolarHBondContact OE2-NE 2.67Å; E235-R237 IonicContact OE2-NH2 3.18Å; E235-R237 PolarHBondContact OE2-NH2 2.95Å
236	I	88.5	Confident	88.3	Confident	3 Å²	3	54.3 Å²	54.3	2%	0.015	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	80.2	165.8	-60.5	171.7	0	0	0	107.2	Q238 H239 K240 L241 I243 E399 L400	I236-Q238 VanDerWaalsContact C-N 3.31Å; I236-Q238 PolarHBondContact O-N 3.41Å; I236-H239 HydrophobicContact CG2-CB 3.97Å; I236-H239 PolarHBondContact O-N 2.86Å; I236-K240 PolarHBondContact O-N 3.36Å; I236-L241 HydrophobicContact CB-CB 4.22Å; I236-L241 PolarHBondContact N-O 2.84Å; I236-L241 PolarHBondContact O-N 2.84Å; I236-L241 VanDerWaalsContact O-N 3.14Å; I236-I243 HydrophobicContact CD1-CD1 3.92Å; I236-I243 HydrophobicContact CD1-CG1 4.48Å; I236-E399 HydrophobicContact CD1-CG 4.12Å; I236-E399 HydrophobicContact CG1-CG 4.43Å; I236-E399 HydrophobicContact CG2-CG 4.16Å; I236-E399 WeakPolarHBondContact CG2-OE2 3.49Å; I236-L400 HydrophobicContact CD1-CD2 3.87Å; I236-L400 HydrophobicContact CD1-CG 4.29Å
237	R	85.2	Confident	88.6	Confident	203 Å²	203	54 Å²	54	77%	0.766	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-59.7	-39.1	-173.4	-66	-176.2	176.3	179	-2.1	112.8	E235 H239 K240	E235-R237 HydrophobicContact CB-CG 4.05Å; E235-R237 PolarHBondContact O-N 2.79Å; E235-R237 IonicContact OE2-CZ 2.71Å; E235-R237 IonicContact OE2-NE 2.61Å; E235-R237 PolarHBondContact OE2-NE 2.67Å; E235-R237 IonicContact OE2-NH2 3.18Å; E235-R237 PolarHBondContact OE2-NH2 2.95Å; R237-H239 PolarHBondContact O-N 2.83Å; R237-K240 PolarHBondContact O-N 2.88Å
238	Q	85.6	Confident	88.6	Confident	161 Å²	161	54.4 Å²	54.4	75%	0.752	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-59.3	-19.7	179.5	-59.1	-172.4	16.7	0	0	113.9	I236	I236-Q238 VanDerWaalsContact C-N 3.31Å; I236-Q238 PolarHBondContact O-N 3.41Å
239	H	85	Confident	88.7	Confident	41 Å²	41	54.5 Å²	54.5	19%	0.19	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-124.1	11.1	-176.8	-62.6	-30	0	0	0	113.3	I236 R237 L241 I396 E399	I236-H239 HydrophobicContact CG2-CB 3.97Å; I236-H239 PolarHBondContact O-N 2.86Å; R237-H239 PolarHBondContact O-N 2.83Å; H239-L241 VanDerWaalsContact C-N 3.27Å; H239-L241 HydrophobicContact CB-CD1 4.31Å; H239-L241 HydrophobicContact CB-CG 4.44Å; H239-L241 PolarHBondContact O-N 3.25Å; H239-I396 HydrophobicContact CB-CG1 4.41Å; H239-E399 IonicContact CD2-OE2 2.75Å; H239-E399 PolarHBondContact CD2-OE2 3.31Å; H239-E399 IonicContact NE2-OE2 2.7Å
240	K	86.7	Confident	88.7	Confident	96 Å²	96	55.9 Å²	55.9	42%	0.417	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	49	46	-174.6	-56.3	-173.3	-175.3	-178.6	0	112.6	I236 R237 R270 S271 E272	I236-K240 PolarHBondContact O-N 3.36Å; R237-K240 PolarHBondContact O-N 2.88Å; K240-R270 WeakPolarHBondContact O-CA 3.45Å; K240-S271 PolarHBondContact O-N 3.14Å; K240-S271 PolarHBondContact O-OG 2.82Å; K240-E272 HydrophobicContact CD-CB 4.21Å; K240-E272 IonicContact NZ-OE2 3.34Å
241	L	89.1	Confident	89.1	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	142.1	179.5	-71.7	176.1	0	0	0	111.8	I236 H239 V268 L269 R270 S271 L386 M390 I396 L400	I236-L241 HydrophobicContact CB-CB 4.22Å; I236-L241 PolarHBondContact N-O 2.84Å; I236-L241 PolarHBondContact O-N 2.84Å; I236-L241 VanDerWaalsContact O-N 3.14Å; H239-L241 VanDerWaalsContact C-N 3.27Å; H239-L241 HydrophobicContact CB-CD1 4.31Å; H239-L241 HydrophobicContact CB-CG 4.44Å; H239-L241 PolarHBondContact O-N 3.25Å; L241-V268 HydrophobicContact CD1-CG1 4.43Å; L241-V268 HydrophobicContact CD2-CG1 3.93Å; L241-L269 WeakPolarHBondContact CA-O 3.32Å; L241-L269 WeakPolarHBondContact CD2-O 3.31Å; L241-R270 HydrophobicContact CD2-CB 4.5Å; L241-R270 HydrophobicContact CD2-CG 3.81Å; L241-S271 PolarHBondContact N-OG 3.4Å; L241-L386 HydrophobicContact CD1-CD2 3.84Å; L241-L386 HydrophobicContact CD2-CD2 4.02Å; L241-M390 HydrophobicContact CD1-CE 4.04Å; L241-M390 HydrophobicContact CD2-CE 3.72Å; L241-M390 HydrophobicContact CG-CE 3.95Å; L241-I396 HydrophobicContact CD1-CG2 3.89Å; L241-L400 HydrophobicContact CD1-CD1 3.84Å; L241-L400 HydrophobicContact CD1-CD2 3.95Å; L241-L400 HydrophobicContact CD1-CG 4.08Å
242	T	88.6	Confident	89.3	Confident	16 Å²	16	51.2 Å²	51.2	10%	0.098	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132.1	172.3	-50.8	0	0	0	0	108.7	P233 H234 L269 S271	P233-T242 HydrophobicContact CB-CG2 3.76Å; H234-T242 WeakPolarHBondContact O-CA 3.35Å; T242-L269 PolarHBondContact N-O 3.06Å; T242-L269 PolarHBondContact O-N 3.13Å; T242-S271 PolarHBondContact OG1-OG 3.43Å
243	I	89.8	Confident	89.6	Confident	3 Å²	3	47.6 Å²	47.6	2%	0.015	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	122.7	175.6	-48.6	178.3	0	0	0	108.1	H234 I236 H266 K267 V268 L400 H403 T404	H234-I243 HydrophobicContact CB-CB 4.4Å; H234-I243 PolarHBondContact N-O 3.07Å; H234-I243 PolarHBondContact O-N 2.94Å; I236-I243 HydrophobicContact CD1-CD1 3.92Å; I236-I243 HydrophobicContact CD1-CG1 4.48Å; I243-H266 HydrophobicContact CG2-CB 3.9Å; I243-K267 WeakPolarHBondContact CA-O 3.38Å; I243-V268 HydrophobicContact CG1-CG2 4.5Å; I243-L400 HydrophobicContact CD1-CD2 4.03Å; I243-L400 HydrophobicContact CG1-CD2 4.33Å; I243-H403 HydrophobicContact CD1-CB 3.76Å; I243-T404 HydrophobicContact CD1-CG2 4.38Å
244	W	89.9	Confident	89.8	Confident	18 Å²	18	45.3 Å²	45.3	7%	0.068	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.2	166.2	-65.3	-12.2	0	0	0	109.7	I223 P230 K267 L269 L304	I223-W244 HydrophobicContact CD1-CE3 3.98Å; I223-W244 HydrophobicContact CD1-CZ3 3.91Å; P230-W244 HydrophobicContact CB-CD2 4.27Å; P230-W244 HydrophobicContact CB-CE3 4.3Å; P230-W244 HydrophobicContact CB-CH2 3.97Å; P230-W244 HydrophobicContact CB-CZ2 3.92Å; P230-W244 HydrophobicContact CB-CZ3 4.14Å; W244-K267 HydrophobicContact CB-CB 4.39Å; W244-K267 PolarHBondContact N-O 3.03Å; W244-K267 PolarHBondContact O-N 3.4Å; W244-L269 HydrophobicContact CD2-CD1 3.67Å; W244-L269 HydrophobicContact CE3-CD1 3.87Å; W244-L269 HydrophobicContact CG-CD1 4.28Å; W244-L269 HydrophobicContact CH2-CD1 4.04Å; W244-L269 HydrophobicContact CZ2-CD1 3.83Å; W244-L269 HydrophobicContact CZ3-CD1 4.06Å; W244-L304 HydrophobicContact CH2-CD2 4.36Å; W244-L304 HydrophobicContact CZ3-CD2 4.43Å
245	P	92.6	Very high	89.8	Confident	27 Å²	27	44.2 Å²	44.2	18%	0.175	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	160	170.8	32.2	-34.7	0	0	0	110.2	Y228 N229 E232	Y228-P245 CarbonylContact C-O 3.57Å; Y228-P245 VanDerWaalsContact CA-O 3.27Å; Y228-P245 WeakPolarHBondContact CA-O 3.17Å; N229-P245 PolarHBondContact N-O 2.89Å; E232-P245 HydrophobicContact CB-CG 4.18Å; E232-P245 WeakPolarHBondContact O-CD 3.39Å; E232-P245 WeakPolarHBondContact O-CG 3.41Å
246	G	93.3	Very high	89.5	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.3	-172.8	-176.7	0	0	0	0	0	113.8	Y227 S265	Y227-G246 CarbonylContact O-C 3.59Å; Y227-G246 WeakPolarHBondContact O-CA 3.36Å; G246-S265 CarbonylContact C-O 3.55Å; G246-S265 PolarHBondContact N-O 2.94Å; G246-S265 PolarHBondContact O-N 2.67Å
247	Y	93.9	Very high	89.7	Confident	24 Å²	24	43.7 Å²	43.7	9%	0.094	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	145.1	-173.7	-51.4	-75.7	0	0	0	111.6	M220 Y227 T262 D263 V264 F418	M220-Y247 HydrophobicContact CE-CD2 3.74Å; M220-Y247 HydrophobicContact CE-CE2 4.06Å; M220-Y247 HydrophobicContact SD-CD2 4.14Å; Y227-Y247 PolarHBondContact N-O 2.82Å; Y227-Y247 PolarHBondContact O-N 2.97Å; Y247-T262 HydrophobicContact CD1-CG2 4.16Å; Y247-T262 HydrophobicContact CG-CG2 4.35Å; Y247-D263 CarbonylContact C-O 3.59Å; Y247-D263 WeakPolarHBondContact CA-O 3.44Å; Y247-V264 HydrophobicContact CD1-CG2 4.4Å; Y247-V264 HydrophobicContact CE1-CG2 4.15Å; Y247-F418 HydrophobicContact CD1-CB 4.38Å; Y247-F418 HydrophobicContact CD1-CG 4.26Å; Y247-F418 HydrophobicContact CD2-CB 4.36Å; Y247-F418 HydrophobicContact CD2-CD1 4.36Å; Y247-F418 AromaticContact CD2-CD2 3.32Å; Y247-F418 HydrophobicContact CD2-CD2 3.32Å; Y247-F418 AromaticContact CD2-CE2 3.53Å; Y247-F418 HydrophobicContact CD2-CE2 3.53Å; Y247-F418 AromaticContact CD2-CG 3.76Å; Y247-F418 HydrophobicContact CD2-CG 3.76Å; Y247-F418 HydrophobicContact CD2-CZ 4.13Å; Y247-F418 HydrophobicContact CE1-CB 3.87Å; Y247-F418 HydrophobicContact CE1-CG 4.2Å; Y247-F418 HydrophobicContact CE2-CB 3.89Å; Y247-F418 AromaticContact CE2-CD2 3.29Å; Y247-F418 HydrophobicContact CE2-CD2 3.29Å; Y247-F418 AromaticContact CE2-CE2 3.95Å; Y247-F418 HydrophobicContact CE2-CE2 3.95Å; Y247-F418 AromaticContact CE2-CG 3.72Å; Y247-F418 HydrophobicContact CE2-CG 3.72Å; Y247-F418 HydrophobicContact CG-CD1 4.31Å; Y247-F418 HydrophobicContact CG-CD2 4.07Å; Y247-F418 HydrophobicContact CG-CE1 4.48Å; Y247-F418 HydrophobicContact CG-CE2 4.26Å; Y247-F418 HydrophobicContact CG-CG 4.07Å; Y247-F418 HydrophobicContact CG-CZ 4.44Å; Y247-F418 AromaticContact CZ-CD2 3.98Å; Y247-F418 AromaticContact CZ-CG 3.96Å
248	S	91.9	Very high	90	Very high	21 Å²	21	34.9 Å²	34.9	15%	0.147	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	117.3	167.1	-172.4	0	0	0	0	107.4	N226 T262 D263	N226-S248 PolarHBondContact OD1-OG 2.69Å; S248-T262 WeakPolarHBondContact O-CA 3.24Å; S248-D263 PolarHBondContact N-O 3.39Å; S248-D263 PolarHBondContact O-N 3.2Å
249	T	91.1	Very high	90.4	Very high	17 Å²	17	27.2 Å²	27.2	10%	0.104	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.1	-166.4	53.3	0	0	0	0	111	F211 C261 T262 F418	F211-T249 HydrophobicContact CE1-CG2 3.82Å; F211-T249 HydrophobicContact CZ-CG2 4.35Å; T249-C261 WeakPolarHBondContact CA-O 3.32Å; T249-T262 HydrophobicContact CG2-CG2 3.92Å; T249-F418 HydrophobicContact CG2-CE1 4.28Å; T249-F418 HydrophobicContact CG2-CZ 4.41Å
250	T	90.6	Very high	90.9	Very high	54 Å²	54	25.2 Å²	25.2	33%	0.331	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	127	177.6	-45.4	0	0	0	0	109.6	L252 M260 C261	T250-L252 HydrophobicContact CG2-CD1 3.99Å; T250-L252 HydrophobicContact CG2-CG 3.95Å; T250-M260 WeakPolarHBondContact O-CA 3.36Å; T250-C261 PolarHBondContact N-O 3.24Å; T250-C261 PolarHBondContact O-N 3.18Å
251	I	91.7	Very high	91.3	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.01	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.7	172.6	-64.1	166.4	0	0	0	108.9	I116 I204 Y207 N208 F211 I258 M259 M260	I116-I251 HydrophobicContact CD1-CB 4.35Å; I116-I251 HydrophobicContact CD1-CD1 3.85Å; I116-I251 HydrophobicContact CD1-CG1 4Å; I116-I251 HydrophobicContact CD1-CG2 3.44Å; I116-I251 VanDerWaalsContact CD1-CG2 3.44Å; I204-I251 WeakPolarHBondContact CG2-O 3.2Å; Y207-I251 HydrophobicContact CD2-CG2 4.4Å; N208-I251 PolarHBondContact ND2-O 2.96Å; N208-I251 PolarHBondContact OD1-N 2.94Å; F211-I251 HydrophobicContact CB-CD1 3.72Å; F211-I251 HydrophobicContact CD1-CD1 4.48Å; F211-I251 HydrophobicContact CG-CD1 4.02Å; I251-I258 HydrophobicContact CG2-CG2 4.07Å; I251-M259 WeakPolarHBondContact CA-O 3.33Å; I251-M260 HydrophobicContact CG1-CB 3.89Å; I251-M260 HydrophobicContact CG1-CG 3.94Å; I251-M260 HydrophobicContact CG1-SD 4.46Å
252	L	91.1	Very high	91.6	Very high	39 Å²	39	20.9 Å²	20.9	20%	0.204	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	163.1	-179.7	-68.4	169.9	0	0	0	110.5	I204 T250 Y254 M259	I204-L252 HydrophobicContact CG2-CD2 4.27Å; T250-L252 HydrophobicContact CG2-CD1 3.99Å; T250-L252 HydrophobicContact CG2-CG 3.95Å; L252-Y254 HydrophobicContact CB-CD2 4.31Å; L252-Y254 HydrophobicContact CB-CE2 3.67Å; L252-Y254 WeakPolarHBondContact O-CD2 3.4Å; L252-M259 PolarHBondContact N-O 3.08Å; L252-M259 VanDerWaalsContact N-O 3.13Å; L252-M259 PolarHBondContact O-N 3.23Å
253	N	90.3	Very high	92	Very high	36 Å²	36	20.7 Å²	20.7	19%	0.193	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	142	163.5	-165.7	39	0	0	0	109.7	I204 I258 R765	I204-N253 HydrophobicContact CD1-CB 4.25Å; N253-I258 HydrophobicContact CB-CG1 4.46Å; N253-I258 WeakPolarHBondContact OD1-CG1 3.44Å; N253-R765 WeakPolarHBondContact O-CD 3.32Å
254	Y	92.1	Very high	92.2	Very high	14 Å²	14	21 Å²	21	6%	0.055	12%	0.119	C	C	.	.			trans	-139.4	173.1	176.3	-61.7	-85.3	0	0	0	109.4	F113 L252 S256 S257 M259 E762 V763 T764	F113-Y254 HydrophobicContact CD1-CE2 4.19Å; F113-Y254 HydrophobicContact CE1-CD1 4.31Å; F113-Y254 HydrophobicContact CE1-CD2 4.4Å; F113-Y254 AromaticContact CE1-CE1 3.78Å; F113-Y254 HydrophobicContact CE1-CE1 3.78Å; F113-Y254 AromaticContact CE1-CE2 3.89Å; F113-Y254 HydrophobicContact CE1-CE2 3.89Å; F113-Y254 AromaticContact CE1-CZ 3.53Å; F113-Y254 HydrophobicContact CZ-CE1 4.5Å; L252-Y254 HydrophobicContact CB-CD2 4.31Å; L252-Y254 HydrophobicContact CB-CE2 3.67Å; L252-Y254 WeakPolarHBondContact O-CD2 3.4Å; Y254-S256 VanDerWaalsContact C-N 3.35Å; Y254-S256 PolarHBondContact O-N 3.4Å; Y254-S257 PolarHBondContact N-O 2.87Å; Y254-S257 VanDerWaalsContact N-O 3.12Å; Y254-M259 HydrophobicContact CD2-CB 3.76Å; Y254-M259 HydrophobicContact CD2-CE 4.08Å; Y254-M259 HydrophobicContact CD2-CG 4.32Å; Y254-M259 HydrophobicContact CE2-CB 4Å; Y254-M259 HydrophobicContact CG-CE 4.04Å; Y254-E762 VanDerWaalsContact CB-O 3.3Å; Y254-E762 WeakPolarHBondContact CB-O 3.42Å; Y254-V763 WeakPolarHBondContact CD1-O 3.39Å; Y254-V763 WeakPolarHBondContact CE1-O 3.4Å; Y254-T764 WeakPolarHBondContact CA-O 3.26Å
255	E	88.5	Confident	92.3	Very high	61 Å²	61	21.2 Å²	21.2	29%	0.285	12%	0.124	S	C	.	.	S	Bend	trans	-58.2	-38.9	-172.4	-75	-162.8	143.8	0	0	114.8	R89 K99 T761 E762 T764 P766	R89-E255 IonicContact CZ-OE1 3.83Å; R89-E255 IonicContact NH1-OE1 3.36Å; R89-E255 PolarHBondContact NH1-OE1 3.04Å; R89-E255 IonicContact NH2-OE1 2.68Å; K99-E255 WeakPolarHBondContact CE-OE1 3.49Å; K99-E255 IonicContact NZ-OE1 3.07Å; K99-E255 PolarHBondContact NZ-OE1 2.99Å; E255-T761 WeakPolarHBondContact OE2-CA 3.36Å; E255-E762 PolarHBondContact N-O 2.79Å; E255-T764 PolarHBondContact N-O 3.03Å; E255-T764 VanDerWaalsContact N-O 3.11Å; E255-T764 PolarHBondContact OE2-OG1 3.35Å; E255-P766 HydrophobicContact CG-CB 4.26Å
256	S	84.9	Confident	92.2	Very high	55 Å²	55	21.9 Å²	21.9	39%	0.385	12%	0.124	S	C	.	.	S	Bend	trans	-92.7	-26.6	-178	63.1	0	0	0	0	114.6	Y254 E762	Y254-S256 VanDerWaalsContact C-N 3.35Å; Y254-S256 PolarHBondContact O-N 3.4Å; S256-E762 PolarHBondContact N-O 3.06Å; S256-E762 PolarHBondContact OG-OE2 2.8Å; S256-E762 VanDerWaalsContact OG-OE2 3.13Å
257	S	91.3	Very high	91.9	Very high	28 Å²	28	23.9 Å²	23.9	20%	0.196	13%	0.133	C	C	.	.	S	Bend	trans	-174.4	170.3	-176.7	49.3	0	0	0	0	112.2	Y254 M259	Y254-S257 PolarHBondContact N-O 2.87Å; Y254-S257 VanDerWaalsContact N-O 3.12Å; S257-M259 VanDerWaalsContact OG-CG 3.22Å; S257-M259 WeakPolarHBondContact OG-CG 3.15Å
258	I	91.9	Very high	91.6	Very high	18 Å²	18	23.9 Å²	23.9	9%	0.092	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	122.6	165.5	-60.4	165.2	0	0	0	107.8	I116 P198 T199 I204 Y207 I251 N253	I116-I258 HydrophobicContact CB-CG2 4.48Å; I116-I258 HydrophobicContact CD1-CG2 4.15Å; I116-I258 HydrophobicContact CG1-CG2 4.47Å; I116-I258 PolarHBondContact N-O 3.43Å; P198-I258 VanDerWaalsContact C-CD1 3.44Å; P198-I258 HydrophobicContact CB-CD1 3.62Å; P198-I258 VanDerWaalsContact O-CD1 3.27Å; P198-I258 WeakPolarHBondContact O-CD1 3.39Å; T199-I258 HydrophobicContact CG2-CD1 4.14Å; T199-I258 HydrophobicContact CG2-CG1 4.46Å; I204-I258 HydrophobicContact CD1-CD1 4.19Å; I204-I258 HydrophobicContact CD1-CG1 4.18Å; I204-I258 HydrophobicContact CD1-CG2 3.89Å; Y207-I258 HydrophobicContact CD2-CG2 4.13Å; Y207-I258 HydrophobicContact CE2-CD1 4.01Å; Y207-I258 HydrophobicContact CE2-CG2 4.16Å; I251-I258 HydrophobicContact CG2-CG2 4.07Å; N253-I258 HydrophobicContact CB-CG1 4.46Å; N253-I258 WeakPolarHBondContact OD1-CG1 3.44Å
259	M	95.1	Very high	91.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	153.3	-171.8	-59.1	-167.8	-91.1	0	0	112.4	F113 F114 R115 I251 L252 Y254 S257 L444 E762 V763	F113-M259 HydrophobicContact CB-SD 4.19Å; F113-M259 HydrophobicContact CD1-CB 4.08Å; F113-M259 HydrophobicContact CD1-CE 4.22Å; F113-M259 HydrophobicContact CD1-SD 4.22Å; F114-M259 WeakPolarHBondContact O-CA 3.29Å; R115-M259 HydrophobicContact CG-CG 4.1Å; R115-M259 HydrophobicContact CG-SD 4.02Å; I251-M259 WeakPolarHBondContact CA-O 3.33Å; L252-M259 PolarHBondContact N-O 3.08Å; L252-M259 VanDerWaalsContact N-O 3.13Å; L252-M259 PolarHBondContact O-N 3.23Å; Y254-M259 HydrophobicContact CD2-CB 3.76Å; Y254-M259 HydrophobicContact CD2-CE 4.08Å; Y254-M259 HydrophobicContact CD2-CG 4.32Å; Y254-M259 HydrophobicContact CE2-CB 4Å; Y254-M259 HydrophobicContact CG-CE 4.04Å; S257-M259 VanDerWaalsContact OG-CG 3.22Å; S257-M259 WeakPolarHBondContact OG-CG 3.15Å; M259-L444 HydrophobicContact CE-CD2 4.07Å; M259-L444 HydrophobicContact SD-CD1 4.09Å; M259-L444 HydrophobicContact SD-CD2 3.81Å; M259-L444 HydrophobicContact SD-CG 4.43Å; M259-E762 VanDerWaalsContact CE-O 3.26Å; M259-E762 WeakPolarHBondContact CE-O 3.35Å; M259-V763 HydrophobicContact CE-CG1 4.22Å
260	M	94.8	Very high	90.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	105.9	169.9	-177.3	173.7	60.7	0	0	110	F113 F114 F211 T250 I251 F418 I419 F439	F113-M260 WeakPolarHBondContact CA-O 3.47Å; F114-M260 HydrophobicContact CB-CE 4.37Å; F114-M260 HydrophobicContact CD2-CE 3.98Å; F114-M260 HydrophobicContact CG-CE 4.5Å; F114-M260 PolarHBondContact N-O 3.23Å; F114-M260 PolarHBondContact O-N 3.46Å; F211-M260 HydrophobicContact CD1-SD 4.08Å; F211-M260 HydrophobicContact CD2-SD 4.01Å; F211-M260 HydrophobicContact CE1-SD 3.53Å; F211-M260 VanDerWaalsContact CE1-SD 3.53Å; F211-M260 HydrophobicContact CE2-CE 4.03Å; F211-M260 HydrophobicContact CE2-SD 3.46Å; F211-M260 WeakPolarHBondContact CE2-SD 3.34Å; F211-M260 HydrophobicContact CG-SD 4.3Å; F211-M260 HydrophobicContact CZ-CE 3.97Å; F211-M260 HydrophobicContact CZ-SD 3.18Å; F211-M260 WeakPolarHBondContact CZ-SD 3.39Å; T250-M260 WeakPolarHBondContact O-CA 3.36Å; I251-M260 HydrophobicContact CG1-CB 3.89Å; I251-M260 HydrophobicContact CG1-CG 3.94Å; I251-M260 HydrophobicContact CG1-SD 4.46Å; M260-F418 HydrophobicContact CE-CE1 4.48Å; M260-I419 HydrophobicContact CE-CD1 4.04Å; M260-F439 HydrophobicContact CB-CE1 4.02Å; M260-F439 HydrophobicContact CE-CD1 3.87Å; M260-F439 HydrophobicContact CE-CE1 3.62Å; M260-F439 HydrophobicContact CE-CE2 4.45Å; M260-F439 HydrophobicContact CE-CG 4.39Å; M260-F439 HydrophobicContact CE-CZ 3.95Å; M260-F439 HydrophobicContact SD-CE1 3.84Å; M260-F439 HydrophobicContact SD-CZ 3.96Å
261	C	95.6	Very high	90.6	Very high	4 Å²	4	23 Å²	23	3%	0.027	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	123.2	166.5	177.8	0	0	0	0	109	F113 T249 T250	F113-C261 HydrophobicContact CD1-CB 4.19Å; F113-C261 HydrophobicContact CE1-CB 4Å; F113-C261 HydrophobicContact CE2-CB 4.34Å; F113-C261 HydrophobicContact CG-CB 4.46Å; F113-C261 HydrophobicContact CZ-CB 4.08Å; T249-C261 WeakPolarHBondContact CA-O 3.32Å; T250-C261 PolarHBondContact N-O 3.24Å; T250-C261 PolarHBondContact O-N 3.18Å
262	T	95.4	Very high	90.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	122.7	-177.9	-63	0	0	0	0	110.5	N112 Y247 S248 T249 L415 F418	N112-T262 VanDerWaalsContact CB-O 3.3Å; N112-T262 WeakPolarHBondContact CB-O 3.36Å; N112-T262 PolarHBondContact ND2-O 3.26Å; N112-T262 PolarHBondContact O-N 2.87Å; Y247-T262 HydrophobicContact CD1-CG2 4.16Å; Y247-T262 HydrophobicContact CG-CG2 4.35Å; S248-T262 WeakPolarHBondContact O-CA 3.24Å; T249-T262 HydrophobicContact CG2-CG2 3.92Å; T262-L415 HydrophobicContact CG2-CD2 3.66Å; T262-L415 WeakPolarHBondContact O-CD2 3.49Å; T262-F418 HydrophobicContact CG2-CD1 3.83Å; T262-F418 HydrophobicContact CG2-CE1 3.9Å
263	D	95.4	Very high	90.4	Very high	13 Å²	13	22.9 Å²	22.9	7%	0.07	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	143.7	172.4	-167.7	29.7	0	0	0	112.4	Y247 S248 S265 R411 S739 R741	Y247-D263 CarbonylContact C-O 3.59Å; Y247-D263 WeakPolarHBondContact CA-O 3.44Å; S248-D263 PolarHBondContact N-O 3.39Å; S248-D263 PolarHBondContact O-N 3.2Å; D263-S265 PolarHBondContact O-N 3.11Å; D263-R411 WeakPolarHBondContact OD1-CD 3.09Å; D263-R411 IonicContact OD1-CZ 3.09Å; D263-R411 IonicContact OD1-NE 3.64Å; D263-R411 IonicContact OD1-NH1 3.55Å; D263-R411 PolarHBondContact OD1-NH1 2.99Å; D263-R411 IonicContact OD2-NH1 3.71Å; D263-R411 PolarHBondContact OD2-NH1 3.41Å; D263-S739 WeakPolarHBondContact CB-O 3.36Å; D263-R741 IonicContact OD1-NE 2.66Å; D263-R741 IonicContact OD2-CZ 3.4Å; D263-R741 IonicContact OD2-NE 2.72Å; D263-R741 PolarHBondContact OD2-NE 2.98Å; D263-R741 IonicContact OD2-NH2 2.74Å; D263-R741 PolarHBondContact OD2-NH2 2.83Å
264	V	94.8	Very high	90.6	Very high	8 Å²	8	21.1 Å²	21.1	5%	0.048	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	126.8	176.3	-178.1	0	0	0	0	110.2	Y247 L406 R411 Q414 L415	Y247-V264 HydrophobicContact CD1-CG2 4.4Å; Y247-V264 HydrophobicContact CE1-CG2 4.15Å; V264-L406 HydrophobicContact CB-CD1 4.19Å; V264-L406 HydrophobicContact CG1-CD1 3.76Å; V264-L406 HydrophobicContact CG2-CD1 4.23Å; V264-R411 HydrophobicContact CB-CG 4.48Å; V264-R411 HydrophobicContact CG2-CG 3.89Å; V264-R411 PolarHBondContact O-NH1 3.27Å; V264-Q414 HydrophobicContact CG2-CB 3.87Å; V264-L415 HydrophobicContact CG2-CD2 4.26Å; V264-L415 HydrophobicContact CG2-CG 4.38Å
265	S	91.9	Very high	90.7	Very high	24 Å²	24	21.5 Å²	21.5	17%	0.168	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	149.7	177.4	-151.5	0	0	0	0	111.2	N226 Y228 G246 D263	N226-S265 PolarHBondContact ND2-OG 3.46Å; Y228-S265 PolarHBondContact OH-OG 2.93Å; G246-S265 CarbonylContact C-O 3.55Å; G246-S265 PolarHBondContact N-O 2.94Å; G246-S265 PolarHBondContact O-N 2.67Å; D263-S265 PolarHBondContact O-N 3.11Å
266	H	90.4	Very high	90.9	Very high	41 Å²	41	21.6 Å²	21.6	19%	0.19	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	122.9	178.2	-67.4	96.4	0	0	0	109.4	I243 T404	I243-H266 HydrophobicContact CG2-CB 3.9Å; H266-T404 HydrophobicContact CB-CG2 3.85Å
267	K	87	Confident	91.1	Very high	43 Å²	43	20 Å²	20	19%	0.187	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	110.5	172.8	-176.6	74.5	-176.9	-174.1	0	108.7	I223 Y228 I243 W244 L269	I223-K267 HydrophobicContact CD1-CD 4.39Å; I223-K267 HydrophobicContact CD1-CG 4.05Å; I223-K267 HydrophobicContact CG2-CD 4.13Å; Y228-K267 HydrophobicContact CD1-CB 3.65Å; Y228-K267 HydrophobicContact CD2-CB 4.17Å; Y228-K267 HydrophobicContact CE1-CB 3.6Å; Y228-K267 HydrophobicContact CE2-CB 4.12Å; Y228-K267 HydrophobicContact CG-CB 3.94Å; I243-K267 WeakPolarHBondContact CA-O 3.38Å; W244-K267 HydrophobicContact CB-CB 4.39Å; W244-K267 PolarHBondContact N-O 3.03Å; W244-K267 PolarHBondContact O-N 3.4Å; K267-L269 HydrophobicContact CD-CD2 4.3Å; K267-L269 HydrophobicContact CG-CD2 3.71Å; K267-L269 HydrophobicContact CG-CG 3.99Å
268	V	86.8	Confident	91.1	Very high	24 Å²	24	18.9 Å²	18.9	15%	0.145	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	124.7	170.3	-173.6	0	0	0	0	109.1	L241 I243 G385 L386 L400	L241-V268 HydrophobicContact CD1-CG1 4.43Å; L241-V268 HydrophobicContact CD2-CG1 3.93Å; I243-V268 HydrophobicContact CG1-CG2 4.5Å; V268-G385 PolarHBondContact O-N 3Å; V268-L386 HydrophobicContact CG1-CD2 3.94Å; V268-L386 HydrophobicContact CG1-CG 4.45Å; V268-L400 HydrophobicContact CG1-CD2 3.94Å; V268-L400 HydrophobicContact CG2-CD2 4.05Å
269	L	83.4	Confident	91.1	Very high	6 Å²	6	21.7 Å²	21.7	3%	0.031	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	150.5	177.7	-58.5	175.9	0	0	0	108.7	L241 T242 W244 K267 L304 T384	L241-L269 WeakPolarHBondContact CA-O 3.32Å; L241-L269 WeakPolarHBondContact CD2-O 3.31Å; T242-L269 PolarHBondContact N-O 3.06Å; T242-L269 PolarHBondContact O-N 3.13Å; W244-L269 HydrophobicContact CD2-CD1 3.67Å; W244-L269 HydrophobicContact CE3-CD1 3.87Å; W244-L269 HydrophobicContact CG-CD1 4.28Å; W244-L269 HydrophobicContact CH2-CD1 4.04Å; W244-L269 HydrophobicContact CZ2-CD1 3.83Å; W244-L269 HydrophobicContact CZ3-CD1 4.06Å; K267-L269 HydrophobicContact CD-CD2 4.3Å; K267-L269 HydrophobicContact CG-CD2 3.71Å; K267-L269 HydrophobicContact CG-CG 3.99Å; L269-L304 HydrophobicContact CD1-CD2 3.67Å; L269-L304 HydrophobicContact CD2-CD2 3.63Å; L269-L304 HydrophobicContact CG-CD2 4.3Å; L269-T384 HydrophobicContact CD2-CG2 4.23Å
270	R	86.3	Confident	90.8	Very high	23 Å²	23	24.2 Å²	24.2	9%	0.087	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	139.3	167.6	-63.5	159.7	65.6	-179	2.5	108.5	K240 L241 E272 L383 G385 M390	K240-R270 WeakPolarHBondContact O-CA 3.45Å; L241-R270 HydrophobicContact CD2-CB 4.5Å; L241-R270 HydrophobicContact CD2-CG 3.81Å; R270-E272 VanDerWaalsContact C-N 3.3Å; R270-E272 HydrophobicContact CB-CG 4.2Å; R270-E272 IonicContact CZ-OE1 3.47Å; R270-E272 IonicContact NE-OE1 2.69Å; R270-E272 PolarHBondContact NE-OE1 3.13Å; R270-E272 IonicContact NH2-OE1 3.79Å; R270-E272 PolarHBondContact NH2-OE1 3.49Å; R270-L383 HydrophobicContact CB-CB 4.28Å; R270-L383 VanDerWaalsContact CB-O 3.31Å; R270-L383 WeakPolarHBondContact CB-O 3.37Å; R270-L383 PolarHBondContact N-O 3.41Å; R270-G385 WeakPolarHBondContact CD-O 3.1Å; R270-M390 HydrophobicContact CG-CE 4.48Å
271	S	83.8	Confident	90.5	Very high	43 Å²	43	25 Å²	25	30%	0.301	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	-19.3	-179.4	-45.5	0	0	0	0	111.9	K240 L241 T242 Y382	K240-S271 PolarHBondContact O-N 3.14Å; K240-S271 PolarHBondContact O-OG 2.82Å; L241-S271 PolarHBondContact N-OG 3.4Å; T242-S271 PolarHBondContact OG1-OG 3.43Å; S271-Y382 WeakPolarHBondContact O-CE1 3.25Å
272	E	87.3	Confident	90.1	Very high	25 Å²	25	31 Å²	31	12%	0.117	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	143.6	174.1	73.6	-154	146.2	0	0	112.3	K240 R270 D276 Y382 L383	K240-E272 HydrophobicContact CD-CB 4.21Å; K240-E272 IonicContact NZ-OE2 3.34Å; R270-E272 VanDerWaalsContact C-N 3.3Å; R270-E272 HydrophobicContact CB-CG 4.2Å; R270-E272 IonicContact CZ-OE1 3.47Å; R270-E272 IonicContact NE-OE1 2.69Å; R270-E272 PolarHBondContact NE-OE1 3.13Å; R270-E272 IonicContact NH2-OE1 3.79Å; R270-E272 PolarHBondContact NH2-OE1 3.49Å; E272-D276 HydrophobicContact CB-CB 3.97Å; E272-Y382 WeakPolarHBondContact O-CD1 3.33Å; E272-L383 HydrophobicContact CG-CD1 4.43Å
273	T	91.7	Very high	89.8	Confident	14 Å²	14	38 Å²	38	9%	0.086	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	172.7	172.8	65.8	0	0	0	0	111	L275 D276 L277 E379 C381 Y382	T273-L275 VanDerWaalsContact C-N 3.32Å; T273-L275 PolarHBondContact OG1-N 2.8Å; T273-D276 WeakPolarHBondContact CB-OD2 3.39Å; T273-D276 PolarHBondContact N-OD2 3.45Å; T273-D276 PolarHBondContact OG1-N 3.06Å; T273-D276 PolarHBondContact OG1-OD2 2.97Å; T273-L277 PolarHBondContact O-N 2.81Å; T273-E379 WeakPolarHBondContact CG2-O 3.31Å; T273-C381 CarbonylContact C-O 3.56Å; T273-C381 WeakPolarHBondContact CA-O 3.37Å; T273-Y382 HydrophobicContact CG2-CD1 4.23Å; T273-Y382 HydrophobicContact CG2-CE1 3.61Å; T273-Y382 HydrophobicContact CG2-CE2 4.46Å
274	V	93.5	Very high	89.4	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-68.8	-37.1	168.6	-179.5	0	0	0	0	109.9	D276 L277 M278 L298 V303 L356 P378 C381 L383	V274-D276 VanDerWaalsContact C-N 3.34Å; V274-D276 PolarHBondContact O-N 2.92Å; V274-L277 PolarHBondContact O-N 3.2Å; V274-M278 HydrophobicContact CG1-CG 4.21Å; V274-M278 HydrophobicContact CG1-SD 3.82Å; V274-M278 VanDerWaalsContact O-CG 3.23Å; V274-M278 WeakPolarHBondContact O-CG 3.36Å; V274-M278 PolarHBondContact O-N 3.05Å; V274-L298 HydrophobicContact CG1-CD1 3.61Å; V274-L298 HydrophobicContact CG1-CD2 3.85Å; V274-L298 HydrophobicContact CG1-CG 4.42Å; V274-V303 HydrophobicContact CG2-CG1 3.61Å; V274-L356 HydrophobicContact CB-CD1 4.18Å; V274-L356 HydrophobicContact CG1-CD1 3.94Å; V274-L356 HydrophobicContact CG1-CD2 4.09Å; V274-L356 HydrophobicContact CG2-CD1 4.02Å; V274-P378 HydrophobicContact CB-CB 3.99Å; V274-P378 HydrophobicContact CG1-CB 4.11Å; V274-P378 PolarHBondContact N-O 3.32Å; V274-C381 HydrophobicContact CB-CB 4.31Å; V274-C381 HydrophobicContact CG2-CB 3.69Å; V274-C381 PolarHBondContact N-O 3.05Å; V274-L383 HydrophobicContact CG2-CD2 4.03Å; V274-L383 HydrophobicContact CG2-CG 4Å
275	L	94.3	Very high	88.9	Confident	22 Å²	22	45 Å²	45	12%	0.115	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-42.6	176	-174.3	58.9	0	0	0	112.1	T273 L277 M278 I279 D350 Q353 P378 E379	T273-L275 VanDerWaalsContact C-N 3.32Å; T273-L275 PolarHBondContact OG1-N 2.8Å; L275-L277 PolarHBondContact O-N 2.81Å; L275-M278 WeakPolarHBondContact O-CB 3.28Å; L275-M278 PolarHBondContact O-N 3.27Å; L275-I279 HydrophobicContact CD1-CD1 4.26Å; L275-I279 HydrophobicContact CD1-CG1 4.39Å; L275-I279 HydrophobicContact CG-CD1 3.95Å; L275-I279 WeakPolarHBondContact O-CG1 3.48Å; L275-I279 PolarHBondContact O-N 3.45Å; L275-D350 HydrophobicContact CD2-CB 3.97Å; L275-Q353 HydrophobicContact CD1-CB 3.89Å; L275-P378 HydrophobicContact CB-CB 3.97Å; L275-P378 PolarHBondContact N-O 2.99Å; L275-E379 HydrophobicContact CB-CB 4.41Å; L275-E379 HydrophobicContact CD2-CB 3.93Å; L275-E379 HydrophobicContact CD2-CG 4.23Å
276	D	92.6	Very high	88.4	Confident	62 Å²	62	45.6 Å²	45.6	33%	0.332	23%	0.231	S	C	.	.	H	α-helix	trans	-55.5	-49.8	174.2	-71.3	-61.6	0	0	0	111.3	E272 T273 V274 M278 I279 N280	E272-D276 HydrophobicContact CB-CB 3.97Å; T273-D276 WeakPolarHBondContact CB-OD2 3.39Å; T273-D276 PolarHBondContact N-OD2 3.45Å; T273-D276 PolarHBondContact OG1-N 3.06Å; T273-D276 PolarHBondContact OG1-OD2 2.97Å; V274-D276 VanDerWaalsContact C-N 3.34Å; V274-D276 PolarHBondContact O-N 2.92Å; D276-M278 VanDerWaalsContact C-N 3.31Å; D276-M278 PolarHBondContact O-N 3.37Å; D276-I279 PolarHBondContact O-N 2.82Å; D276-N280 WeakPolarHBondContact O-CB 3.34Å; D276-N280 PolarHBondContact O-N 3.12Å; D276-N280 PolarHBondContact O-ND2 2.96Å
277	L	89.6	Confident	87.7	Confident	22 Å²	22	53.2 Å²	53.2	12%	0.115	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-40.6	178.8	179.1	59.7	0	0	0	111.2	T273 V274 L275 N280 L281 L298 L383	T273-L277 PolarHBondContact O-N 2.81Å; V274-L277 PolarHBondContact O-N 3.2Å; L275-L277 PolarHBondContact O-N 2.81Å; L277-N280 PolarHBondContact O-N 3.02Å; L277-L281 HydrophobicContact CD1-CD1 4.26Å; L277-L281 HydrophobicContact CD1-CG 4.05Å; L277-L281 HydrophobicContact CG-CD1 4.08Å; L277-L281 HydrophobicContact CG-CG 4.31Å; L277-L281 WeakPolarHBondContact O-CB 3.3Å; L277-L281 WeakPolarHBondContact O-CG 3.36Å; L277-L281 PolarHBondContact O-N 2.86Å; L277-L298 HydrophobicContact CD2-CD2 3.93Å; L277-L383 HydrophobicContact CB-CD1 3.88Å; L277-L383 HydrophobicContact CD2-CD1 3.52Å; L277-L383 HydrophobicContact CG-CD1 4.33Å
278	M	92.1	Very high	87.4	Confident	5 Å²	5	60 Å²	60	3%	0.025	29%	0.291	C	S	.	.	H	α-helix	trans	-61.4	-45.3	178	-71.5	177.6	83.4	0	0	112	V274 L275 D276 L281 R282 Y290 L298 W319 V354 P378	V274-M278 HydrophobicContact CG1-CG 4.21Å; V274-M278 HydrophobicContact CG1-SD 3.82Å; V274-M278 VanDerWaalsContact O-CG 3.23Å; V274-M278 WeakPolarHBondContact O-CG 3.36Å; V274-M278 PolarHBondContact O-N 3.05Å; L275-M278 WeakPolarHBondContact O-CB 3.28Å; L275-M278 PolarHBondContact O-N 3.27Å; D276-M278 VanDerWaalsContact C-N 3.31Å; D276-M278 PolarHBondContact O-N 3.37Å; M278-L281 PolarHBondContact O-N 3.31Å; M278-R282 WeakPolarHBondContact O-CB 3.4Å; M278-R282 PolarHBondContact O-N 2.88Å; M278-Y290 WeakPolarHBondContact CB-OH 3.38Å; M278-Y290 WeakPolarHBondContact CE-OH 3.34Å; M278-Y290 VanDerWaalsContact O-CE2 3.31Å; M278-Y290 WeakPolarHBondContact O-CE2 3.33Å; M278-L298 HydrophobicContact CG-CD1 3.94Å; M278-L298 HydrophobicContact SD-CD1 4.06Å; M278-W319 HydrophobicContact CE-CZ3 4.43Å; M278-V354 HydrophobicContact CE-CG2 3.34Å; M278-P378 HydrophobicContact SD-CB 3.98Å; M278-P378 HydrophobicContact SD-CG 3.99Å
279	I	91.4	Very high	87.2	Confident	76 Å²	76	66.1 Å²	66.1	39%	0.39	31%	0.311	S	S	.	.	H	α-helix	trans	-61.6	-47.4	174.7	-67.6	166.4	0	0	0	110.9	L275 D276 L281 R282 Q283	L275-I279 HydrophobicContact CD1-CD1 4.26Å; L275-I279 HydrophobicContact CD1-CG1 4.39Å; L275-I279 HydrophobicContact CG-CD1 3.95Å; L275-I279 WeakPolarHBondContact O-CG1 3.48Å; L275-I279 PolarHBondContact O-N 3.45Å; D276-I279 PolarHBondContact O-N 2.82Å; I279-L281 PolarHBondContact O-N 3.05Å; I279-R282 PolarHBondContact O-N 2.88Å; I279-Q283 WeakPolarHBondContact O-CG 3.46Å; I279-Q283 PolarHBondContact O-N 3.5Å
280	N	88.6	Confident	87.4	Confident	54 Å²	54	67.3 Å²	67.3	29%	0.289	32%	0.316	S	S	.	.	H	α-helix	trans	-62.4	-40.5	179.2	-80.9	-89.6	0	0	0	112.3	D276 L277 Q284	D276-N280 WeakPolarHBondContact O-CB 3.34Å; D276-N280 PolarHBondContact O-N 3.12Å; D276-N280 PolarHBondContact O-ND2 2.96Å; L277-N280 PolarHBondContact O-N 3.02Å; N280-Q284 VanDerWaalsContact O-CG 3.28Å; N280-Q284 WeakPolarHBondContact O-CG 3.42Å; N280-Q284 PolarHBondContact O-N 3.5Å
281	L	89.1	Confident	87.5	Confident	15 Å²	15	68.9 Å²	68.9	8%	0.079	33%	0.328	C	S	.	.	H	α-helix	trans	-64.9	-46.3	175.2	-72.5	176	0	0	0	111.3	L277 M278 I279 Q283 Q284 C285 Y290 I293 C294 E297	L277-L281 HydrophobicContact CD1-CD1 4.26Å; L277-L281 HydrophobicContact CD1-CG 4.05Å; L277-L281 HydrophobicContact CG-CD1 4.08Å; L277-L281 HydrophobicContact CG-CG 4.31Å; L277-L281 WeakPolarHBondContact O-CB 3.3Å; L277-L281 WeakPolarHBondContact O-CG 3.36Å; L277-L281 PolarHBondContact O-N 2.86Å; M278-L281 PolarHBondContact O-N 3.31Å; I279-L281 PolarHBondContact O-N 3.05Å; L281-Q283 VanDerWaalsContact C-N 3.26Å; L281-Q283 PolarHBondContact O-N 3.34Å; L281-Q284 PolarHBondContact O-N 3.2Å; L281-C285 PolarHBondContact O-N 3.26Å; L281-C285 PolarHBondContact O-SG 3.4Å; L281-Y290 HydrophobicContact CB-CD2 4.42Å; L281-Y290 HydrophobicContact CB-CE2 4.36Å; L281-I293 HydrophobicContact CD2-CG2 4.1Å; L281-C294 HydrophobicContact CD1-CB 4.39Å; L281-E297 HydrophobicContact CD1-CB 4.4Å
282	R	87.9	Confident	87.7	Confident	132 Å²	132	72.2 Å²	72.2	50%	0.498	34%	0.342	S	S	.	.	H	α-helix	trans	-57.8	-37.7	179.3	-164.9	-179.1	-170.8	-172.3	5.7	112.4	M278 I279 Y290	M278-R282 WeakPolarHBondContact O-CB 3.4Å; M278-R282 PolarHBondContact O-N 2.88Å; I279-R282 PolarHBondContact O-N 2.88Å; R282-Y290 HydrophobicContact CB-CD2 3.69Å; R282-Y290 HydrophobicContact CB-CE2 3.77Å; R282-Y290 HydrophobicContact CB-CG 4.17Å; R282-Y290 HydrophobicContact CG-CD1 4.25Å; R282-Y290 HydrophobicContact CG-CD2 4.11Å; R282-Y290 HydrophobicContact CG-CE1 4.49Å; R282-Y290 HydrophobicContact CG-CE2 4.37Å; R282-Y290 HydrophobicContact CG-CG 4.06Å
283	Q	88.9	Confident	87.7	Confident	147 Å²	147	73.6 Å²	73.6	69%	0.687	35%	0.35	S	S	*	.	H	α-helix	trans	-68.3	-34.4	173.9	-71.4	172.2	-7.7	0	0	113	I279 L281	I279-Q283 WeakPolarHBondContact O-CG 3.46Å; I279-Q283 PolarHBondContact O-N 3.5Å; L281-Q283 VanDerWaalsContact C-N 3.26Å; L281-Q283 PolarHBondContact O-N 3.34Å
284	Q	85.9	Confident	87.6	Confident	151 Å²	151	73 Å²	73	71%	0.706	35%	0.346	S	S	*	.	H	α-helix	trans	-84.3	-33	-174.8	-72.9	173.2	20.1	0	0	114.6	N280 L281	N280-Q284 VanDerWaalsContact O-CG 3.28Å; N280-Q284 WeakPolarHBondContact O-CG 3.42Å; N280-Q284 PolarHBondContact O-N 3.5Å; L281-Q284 PolarHBondContact O-N 3.2Å
285	C	83.8	Confident	87.4	Confident	15 Å²	15	74.1 Å²	74.1	10%	0.101	36%	0.355	C	S	.	.	H	α-helix	trans	-107.2	-14.3	-170	67.3	0	0	0	0	116.3	L281 R289 Y290 I293	L281-C285 PolarHBondContact O-N 3.26Å; L281-C285 PolarHBondContact O-SG 3.4Å; C285-R289 PolarHBondContact O-NE 2.92Å; C285-R289 PolarHBondContact O-NH2 3.16Å; C285-Y290 VanDerWaalsContact SG-CA 3.53Å; C285-I293 HydrophobicContact CB-CD1 3.53Å
286	G	81.9	Confident	87	Confident	37 Å²	37	81.8 Å²	81.8	38%	0.381	39%	0.388	S	S	.	.			trans	81.1	164	-169.3	0	0	0	0	0	113	E288 Y290	G286-E288 PolarHBondContact O-N 2.98Å; G286-Y290 WeakPolarHBondContact O-CB 3.37Å; G286-Y290 PolarHBondContact O-N 2.71Å
287	R	76.8	Confident	86.6	Confident	202 Å²	202	81.8 Å²	81.8	76%	0.762	39%	0.386	S	S	*	.	S	Bend	trans	-60.4	-43.8	-174.5	-74.2	-171.6	179	-165.9	2.5	113.3	R289 Y290	R287-R289 VanDerWaalsContact C-N 3.33Å; R287-R289 PolarHBondContact O-N 3.02Å; R287-Y290 WeakPolarHBondContact O-CB 3.31Å; R287-Y290 PolarHBondContact O-N 3.38Å
288	E	78.9	Confident	86.6	Confident	184 Å²	184	80.7 Å²	80.7	86%	0.86	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-32.4	-169.4	-62.7	171.9	165.8	0	0	114.3	G286	G286-E288 PolarHBondContact O-N 2.98Å
289	R	83.7	Confident	86.5	Confident	153 Å²	153	83.5 Å²	83.5	58%	0.577	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	3	-178.6	-58.8	178	-60.3	175.2	1.9	113.1	C285 R287 I293	C285-R289 PolarHBondContact O-NE 2.92Å; C285-R289 PolarHBondContact O-NH2 3.16Å; R287-R289 VanDerWaalsContact C-N 3.33Å; R287-R289 PolarHBondContact O-N 3.02Å; R289-I293 HydrophobicContact CB-CD1 3.87Å; R289-I293 WeakPolarHBondContact O-CB 3.5Å; R289-I293 WeakPolarHBondContact O-CD1 3.15Å; R289-I293 VanDerWaalsContact O-CG1 3.3Å; R289-I293 WeakPolarHBondContact O-CG1 3.43Å; R289-I293 PolarHBondContact O-N 3.14Å; R289-I293 VanDerWaalsContact O-N 3.16Å
290	Y	88.4	Confident	86	Confident	32 Å²	32	81.3 Å²	81.3	13%	0.125	39%	0.391	C	S	.	.	H	α-helix	trans	-67.7	-43.9	-172.1	164.9	-114.7	0	0	0	112.3	M278 L281 R282 C285 G286 R287 D292 C294 W319	M278-Y290 WeakPolarHBondContact CB-OH 3.38Å; M278-Y290 WeakPolarHBondContact CE-OH 3.34Å; M278-Y290 VanDerWaalsContact O-CE2 3.31Å; M278-Y290 WeakPolarHBondContact O-CE2 3.33Å; L281-Y290 HydrophobicContact CB-CD2 4.42Å; L281-Y290 HydrophobicContact CB-CE2 4.36Å; R282-Y290 HydrophobicContact CB-CD2 3.69Å; R282-Y290 HydrophobicContact CB-CE2 3.77Å; R282-Y290 HydrophobicContact CB-CG 4.17Å; R282-Y290 HydrophobicContact CG-CD1 4.25Å; R282-Y290 HydrophobicContact CG-CD2 4.11Å; R282-Y290 HydrophobicContact CG-CE1 4.49Å; R282-Y290 HydrophobicContact CG-CE2 4.37Å; R282-Y290 HydrophobicContact CG-CG 4.06Å; C285-Y290 VanDerWaalsContact SG-CA 3.53Å; G286-Y290 WeakPolarHBondContact O-CB 3.37Å; G286-Y290 PolarHBondContact O-N 2.71Å; R287-Y290 WeakPolarHBondContact O-CB 3.31Å; R287-Y290 PolarHBondContact O-N 3.38Å; Y290-D292 PolarHBondContact O-N 3.14Å; Y290-C294 HydrophobicContact CD2-CB 4.23Å; Y290-C294 HydrophobicContact CE2-CB 3.9Å; Y290-C294 WeakPolarHBondContact O-CB 3.23Å; Y290-C294 PolarHBondContact O-N 3.19Å; Y290-W319 HydrophobicContact CD1-CZ3 4.42Å; Y290-W319 HydrophobicContact CE1-CH2 4.2Å; Y290-W319 AromaticContact CE1-CZ3 3.73Å; Y290-W319 HydrophobicContact CE1-CZ3 3.73Å
291	T	88	Confident	85.8	Confident	55 Å²	55	82.3 Å²	82.3	34%	0.337	39%	0.394	S	S	.	.	H	α-helix	trans	-53.9	-54	177	44.1	0	0	0	0	111.3	C294 A295 W319	T291-C294 PolarHBondContact O-N 3.33Å; T291-A295 VanDerWaalsContact O-CB 3.26Å; T291-A295 WeakPolarHBondContact O-CB 3.41Å; T291-A295 PolarHBondContact O-N 2.99Å; T291-W319 HydrophobicContact CG2-CD2 4.28Å; T291-W319 HydrophobicContact CG2-CE3 4.24Å; T291-W319 HydrophobicContact CG2-CH2 4.28Å; T291-W319 HydrophobicContact CG2-CZ2 4.29Å; T291-W319 HydrophobicContact CG2-CZ3 4.26Å
292	D	86.5	Confident	85.6	Confident	114 Å²	114	85.6 Å²	85.6	61%	0.61	41%	0.411	S	S	*	.	H	α-helix	trans	-67.6	-43.4	-172.6	-59.6	9.8	0	0	0	111.8	Y290 K296	Y290-D292 PolarHBondContact O-N 3.14Å; D292-K296 WeakPolarHBondContact O-CB 3.39Å; D292-K296 PolarHBondContact O-N 3.32Å
293	I	87.4	Confident	85.7	Confident	54 Å²	54	79.3 Å²	79.3	28%	0.277	39%	0.387	S	S	.	.	H	α-helix	trans	-69.5	-39.6	179.2	-69.1	168.8	0	0	0	110.6	L281 C285 R289 K296 E297	L281-I293 HydrophobicContact CD2-CG2 4.1Å; C285-I293 HydrophobicContact CB-CD1 3.53Å; R289-I293 HydrophobicContact CB-CD1 3.87Å; R289-I293 WeakPolarHBondContact O-CB 3.5Å; R289-I293 WeakPolarHBondContact O-CD1 3.15Å; R289-I293 VanDerWaalsContact O-CG1 3.3Å; R289-I293 WeakPolarHBondContact O-CG1 3.43Å; R289-I293 PolarHBondContact O-N 3.14Å; R289-I293 VanDerWaalsContact O-N 3.16Å; I293-K296 PolarHBondContact O-N 3.03Å; I293-E297 PolarHBondContact O-N 2.95Å
294	C	89.8	Confident	85.6	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-66.7	-49.4	177.6	-172.4	0	0	0	0	111.6	L281 Y290 T291 K296 E297 L298 W319	L281-C294 HydrophobicContact CD1-CB 4.39Å; Y290-C294 HydrophobicContact CD2-CB 4.23Å; Y290-C294 HydrophobicContact CE2-CB 3.9Å; Y290-C294 WeakPolarHBondContact O-CB 3.23Å; Y290-C294 PolarHBondContact O-N 3.19Å; T291-C294 PolarHBondContact O-N 3.33Å; C294-K296 VanDerWaalsContact C-N 3.29Å; C294-K296 PolarHBondContact O-N 2.63Å; C294-E297 PolarHBondContact O-N 3.42Å; C294-L298 WeakPolarHBondContact O-CB 3.12Å; C294-L298 WeakPolarHBondContact O-CG 3.27Å; C294-L298 PolarHBondContact O-N 2.93Å; C294-L298 VanDerWaalsContact SG-CD1 3.59Å; C294-W319 HydrophobicContact CB-CH2 3.91Å; C294-W319 HydrophobicContact CB-CZ2 4.47Å
295	A	89	Confident	85.6	Confident	24 Å²	24	65.2 Å²	65.2	20%	0.198	32%	0.321	C	S	.	.	H	α-helix	trans	-55.7	-43.8	173	0	0	0	0	0	111.5	T291 E297 L298 I299	T291-A295 VanDerWaalsContact O-CB 3.26Å; T291-A295 WeakPolarHBondContact O-CB 3.41Å; T291-A295 PolarHBondContact O-N 2.99Å; A295-E297 PolarHBondContact O-N 3.09Å; A295-L298 PolarHBondContact O-N 3.22Å; A295-I299 HydrophobicContact CB-CD1 3.87Å; A295-I299 HydrophobicContact CB-CG1 4.46Å; A295-I299 VanDerWaalsContact O-CB 3.26Å; A295-I299 WeakPolarHBondContact O-CB 3.26Å; A295-I299 WeakPolarHBondContact O-CG1 3.37Å; A295-I299 PolarHBondContact O-N 2.94Å
296	K	86.1	Confident	85.3	Confident	183 Å²	183	68.4 Å²	68.4	80%	0.796	33%	0.333	S	S	*	.	H	α-helix	trans	-68.3	-29.7	-179.8	-176.2	173.8	-178.4	174.2	0	115	D292 I293 C294	D292-K296 WeakPolarHBondContact O-CB 3.39Å; D292-K296 PolarHBondContact O-N 3.32Å; I293-K296 PolarHBondContact O-N 3.03Å; C294-K296 VanDerWaalsContact C-N 3.29Å; C294-K296 PolarHBondContact O-N 2.63Å
297	E	85.1	Confident	85.3	Confident	62 Å²	62	68.7 Å²	68.7	29%	0.29	32%	0.323	S	S	.	.	H	α-helix	trans	-88.2	-28.2	175	-69.2	-89	165.6	0	0	112.5	L281 I293 C294 A295 Q301 K389	L281-E297 HydrophobicContact CD1-CB 4.4Å; I293-E297 PolarHBondContact O-N 2.95Å; C294-E297 PolarHBondContact O-N 3.42Å; A295-E297 PolarHBondContact O-N 3.09Å; E297-Q301 WeakPolarHBondContact O-CG 3.45Å; E297-Q301 PolarHBondContact O-NE2 3.15Å; E297-K389 VanDerWaalsContact CD-NZ 3.26Å; E297-K389 IonicContact OE1-NZ 2.68Å; E297-K389 PolarHBondContact OE1-NZ 3.5Å; E297-K389 IonicContact OE2-NZ 3.85Å; E297-K389 PolarHBondContact OE2-NZ 3.25Å
298	L	89.4	Confident	85.4	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-96.6	-38.9	-175.8	-68.5	-176.8	0	0	0	115.7	V274 L277 M278 C294 A295 G300 Q301 I317 L356 L383	V274-L298 HydrophobicContact CG1-CD1 3.61Å; V274-L298 HydrophobicContact CG1-CD2 3.85Å; V274-L298 HydrophobicContact CG1-CG 4.42Å; L277-L298 HydrophobicContact CD2-CD2 3.93Å; M278-L298 HydrophobicContact CG-CD1 3.94Å; M278-L298 HydrophobicContact SD-CD1 4.06Å; C294-L298 WeakPolarHBondContact O-CB 3.12Å; C294-L298 WeakPolarHBondContact O-CG 3.27Å; C294-L298 PolarHBondContact O-N 2.93Å; C294-L298 VanDerWaalsContact SG-CD1 3.59Å; A295-L298 PolarHBondContact O-N 3.22Å; L298-G300 PolarHBondContact O-N 3.34Å; L298-Q301 WeakPolarHBondContact O-CB 3.05Å; L298-Q301 WeakPolarHBondContact O-CG 3.32Å; L298-Q301 PolarHBondContact O-N 3.08Å; L298-I317 HydrophobicContact CB-CD1 4.22Å; L298-I317 HydrophobicContact CD1-CD1 3.92Å; L298-L356 HydrophobicContact CD1-CD2 4.43Å; L298-L383 HydrophobicContact CD2-CD2 3.94Å
299	I	89.8	Confident	85.2	Confident	64 Å²	64	53.4 Å²	53.4	33%	0.328	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	132.3	-175.7	-65.3	176.7	0	0	0	109.9	A295 Q301 D315	A295-I299 HydrophobicContact CB-CD1 3.87Å; A295-I299 HydrophobicContact CB-CG1 4.46Å; A295-I299 VanDerWaalsContact O-CB 3.26Å; A295-I299 WeakPolarHBondContact O-CB 3.26Å; A295-I299 WeakPolarHBondContact O-CG1 3.37Å; A295-I299 PolarHBondContact O-N 2.94Å; I299-Q301 VanDerWaalsContact C-N 3.31Å; I299-D315 WeakPolarHBondContact CG2-O 3.32Å
300	G	81.8	Confident	85.1	Confident	30 Å²	30	50.9 Å²	50.9	31%	0.309	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	-9	-171.7	0	0	0	0	0	115	L298 V314	L298-G300 PolarHBondContact O-N 3.34Å; G300-V314 WeakPolarHBondContact CA-O 3.23Å; G300-V314 PolarHBondContact N-O 3.19Å
301	Q	84.3	Confident	84.8	Confident	75 Å²	75	52.5 Å²	52.5	35%	0.35	27%	0.269	S	S	.	.			trans	-70.8	160.5	174.9	-59.7	-63.3	-10.9	0	0	112	E297 L298 I299 R313 V314	E297-Q301 WeakPolarHBondContact O-CG 3.45Å; E297-Q301 PolarHBondContact O-NE2 3.15Å; L298-Q301 WeakPolarHBondContact O-CB 3.05Å; L298-Q301 WeakPolarHBondContact O-CG 3.32Å; L298-Q301 PolarHBondContact O-N 3.08Å; I299-Q301 VanDerWaalsContact C-N 3.31Å; Q301-R313 WeakPolarHBondContact O-CA 3.28Å; Q301-V314 PolarHBondContact O-N 2.78Å
302	I	85.3	Confident	84.7	Confident	84 Å²	84	51.7 Å²	51.7	43%	0.431	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	120	173.1	-59.9	177	0	0	0	109.5	T311 Y312 T384	I302-T311 HydrophobicContact CG2-CG2 4.21Å; I302-Y312 CarbonylContact C-O 3.53Å; I302-Y312 VanDerWaalsContact CA-O 3.31Å; I302-Y312 WeakPolarHBondContact CA-O 3.34Å; I302-T384 WeakPolarHBondContact O-CB 3.46Å; I302-T384 WeakPolarHBondContact O-CG2 3.44Å; I302-T384 PolarHBondContact O-N 2.69Å; I302-T384 VanDerWaalsContact O-N 3.13Å; I302-T384 PolarHBondContact O-OG1 3.23Å
303	V	88.3	Confident	84.8	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	151.1	176.4	-62.5	0	0	0	0	111	V274 T311 Y312 V314 L376 C381 Y382 L383	V274-V303 HydrophobicContact CG2-CG1 3.61Å; V303-T311 CarbonylContact O-C 3.6Å; V303-T311 WeakPolarHBondContact O-CA 3.47Å; V303-Y312 PolarHBondContact N-O 2.77Å; V303-Y312 PolarHBondContact O-N 2.8Å; V303-V314 HydrophobicContact CG1-CG2 3.84Å; V303-V314 HydrophobicContact CG2-CG2 4.2Å; V303-L376 HydrophobicContact CG2-CD1 4.34Å; V303-C381 HydrophobicContact CB-CB 4.16Å; V303-C381 HydrophobicContact CG1-CB 4.5Å; V303-C381 HydrophobicContact CG2-CB 4.36Å; V303-Y382 CarbonylContact C-O 3.37Å; V303-Y382 VanDerWaalsContact CA-O 3.28Å; V303-Y382 WeakPolarHBondContact CA-O 3.31Å; V303-L383 HydrophobicContact CG1-CD2 4.2Å
304	L	86.6	Confident	84.9	Confident	1 Å²	1	50 Å²	50	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128	175.1	171.9	67.6	0	0	0	109.6	W244 L269 N309 K310 T311 Y382 T384	W244-L304 HydrophobicContact CH2-CD2 4.36Å; W244-L304 HydrophobicContact CZ3-CD2 4.43Å; L269-L304 HydrophobicContact CD1-CD2 3.67Å; L269-L304 HydrophobicContact CD2-CD2 3.63Å; L269-L304 HydrophobicContact CG-CD2 4.3Å; L304-N309 HydrophobicContact CD1-CB 4.37Å; L304-K310 WeakPolarHBondContact CD1-O 3.39Å; L304-T311 HydrophobicContact CD1-CG2 4.15Å; L304-Y382 PolarHBondContact N-O 3Å; L304-Y382 PolarHBondContact O-N 3.45Å; L304-T384 HydrophobicContact CB-CG2 3.44Å; L304-T384 VanDerWaalsContact CB-CG2 3.44Å
305	T	87.8	Confident	84.9	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	96.9	176.3	45.6	0	0	0	0	110.3	Y307 N308 N309 K310 Y312	T305-Y307 HydrophobicContact CG2-CE1 3.64Å; T305-Y307 WeakPolarHBondContact CG2-OH 3.36Å; T305-Y307 PolarHBondContact O-N 3.22Å; T305-N308 PolarHBondContact O-N 2.83Å; T305-N308 PolarHBondContact O-OD1 2.83Å; T305-N308 PolarHBondContact OG1-OD1 3.13Å; T305-N309 WeakPolarHBondContact O-CA 3.47Å; T305-N309 PolarHBondContact O-N 3.23Å; T305-K310 PolarHBondContact N-O 2.85Å; T305-K310 PolarHBondContact OG1-O 2.9Å; T305-K310 VanDerWaalsContact OG1-O 3.05Å; T305-Y312 HydrophobicContact CG2-CD2 4.07Å; T305-Y312 HydrophobicContact CG2-CE2 4.12Å; T305-Y312 WeakPolarHBondContact OG1-CE2 3.45Å
306	K	76.4	Confident	85.1	Confident	83 Å²	83	54.8 Å²	54.8	36%	0.361	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-27.4	-171.3	-73.9	-177.2	-169.7	165.8	0	114.6	N308 N309 Y382	K306-N308 VanDerWaalsContact C-N 3.27Å; K306-N308 PolarHBondContact O-N 2.86Å; K306-N309 WeakPolarHBondContact CA-OD1 3.42Å; K306-N309 PolarHBondContact O-ND2 3.4Å; K306-N309 PolarHBondContact O-OD1 2.74Å; K306-Y382 HydrophobicContact CB-CD2 4.43Å; K306-Y382 HydrophobicContact CB-CE2 4.29Å; K306-Y382 HydrophobicContact CD-CD2 3.7Å; K306-Y382 HydrophobicContact CD-CE2 3.37Å; K306-Y382 HydrophobicContact CD-CG 4.37Å; K306-Y382 VanDerWaalsContact CE-CD2 3.48Å; K306-Y382 VanDerWaalsContact CE-CZ 3.48Å; K306-Y382 HydrophobicContact CG-CD2 3.62Å; K306-Y382 HydrophobicContact CG-CE2 3.72Å; K306-Y382 HydrophobicContact CG-CG 4.44Å; K306-Y382 PolarHBondContact NZ-OH 2.95Å
307	Y	82.2	Confident	85.5	Confident	42 Å²	42	46.3 Å²	46.3	17%	0.165	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-15.3	-179.7	59.3	-94.3	0	0	0	114.7	T305 Y340 Y344 L346 L380	T305-Y307 HydrophobicContact CG2-CE1 3.64Å; T305-Y307 WeakPolarHBondContact CG2-OH 3.36Å; T305-Y307 PolarHBondContact O-N 3.22Å; Y307-Y340 HydrophobicContact CD2-CE1 4.37Å; Y307-Y340 HydrophobicContact CE1-CE1 4.06Å; Y307-Y340 HydrophobicContact CE2-CD1 4.39Å; Y307-Y340 AromaticContact CE2-CE1 3.61Å; Y307-Y340 HydrophobicContact CE2-CE1 3.61Å; Y307-Y340 AromaticContact CZ-CE1 3.44Å; Y307-Y340 VanDerWaalsContact CZ-CE1 3.44Å; Y307-Y340 WeakPolarHBondContact OH-CE1 3.38Å; Y307-Y340 PolarHBondContact OH-OH 2.97Å; Y307-Y344 AromaticContact CD2-CD1 3.82Å; Y307-Y344 HydrophobicContact CD2-CD1 3.82Å; Y307-Y344 AromaticContact CD2-CD2 3.86Å; Y307-Y344 HydrophobicContact CD2-CD2 3.86Å; Y307-Y344 AromaticContact CD2-CE1 3.71Å; Y307-Y344 HydrophobicContact CD2-CE1 3.71Å; Y307-Y344 AromaticContact CD2-CE2 3.72Å; Y307-Y344 HydrophobicContact CD2-CE2 3.72Å; Y307-Y344 AromaticContact CD2-CG 3.9Å; Y307-Y344 HydrophobicContact CD2-CG 3.9Å; Y307-Y344 AromaticContact CD2-CZ 3.64Å; Y307-Y344 HydrophobicContact CE2-CD2 4.22Å; Y307-Y344 HydrophobicContact CE2-CE1 4.36Å; Y307-Y344 AromaticContact CE2-CE2 3.74Å; Y307-Y344 HydrophobicContact CE2-CE2 3.74Å; Y307-Y344 AromaticContact CE2-CZ 3.82Å; Y307-Y344 HydrophobicContact CG-CD1 4.5Å; Y307-Y344 HydrophobicContact CG-CG 4.44Å; Y307-L346 HydrophobicContact CD1-CD1 4.28Å; Y307-L346 HydrophobicContact CG-CD1 4.14Å; Y307-L380 HydrophobicContact CD1-CB 4.09Å; Y307-L380 HydrophobicContact CE1-CB 3.75Å; Y307-L380 HydrophobicContact CE1-CD1 4.44Å
308	N	79.4	Confident	86	Confident	38 Å²	38	43.9 Å²	43.9	20%	0.203	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.5	1.7	173.5	69.4	26.2	0	0	0	114.2	T305 K306 K310 Y344	T305-N308 PolarHBondContact O-N 2.83Å; T305-N308 PolarHBondContact O-OD1 2.83Å; T305-N308 PolarHBondContact OG1-OD1 3.13Å; K306-N308 VanDerWaalsContact C-N 3.27Å; K306-N308 PolarHBondContact O-N 2.86Å; N308-K310 PolarHBondContact ND2-NZ 3.42Å; N308-K310 PolarHBondContact O-N 2.79Å; N308-K310 VanDerWaalsContact O-N 3.13Å; N308-K310 WeakPolarHBondContact OD1-CB 3.39Å; N308-K310 WeakPolarHBondContact OD1-CG 3.28Å; N308-K310 PolarHBondContact OD1-N 2.77Å; N308-K310 VanDerWaalsContact OD1-N 3.1Å; N308-Y344 HydrophobicContact CB-CE1 4.34Å
309	N	74.1	Confident	86.2	Confident	28 Å²	28	48.3 Å²	48.3	15%	0.15	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	28.5	178.3	-61.8	-68.6	0	0	0	115.9	Q221 L304 T305 K306	Q221-N309 PolarHBondContact NE2-ND2 2.83Å; Q221-N309 VanDerWaalsContact NE2-ND2 3.11Å; Q221-N309 PolarHBondContact OE1-ND2 3.13Å; Q221-N309 VanDerWaalsContact OE1-ND2 3.16Å; Q221-N309 PolarHBondContact OE1-OD1 2.81Å; L304-N309 HydrophobicContact CD1-CB 4.37Å; T305-N309 WeakPolarHBondContact O-CA 3.47Å; T305-N309 PolarHBondContact O-N 3.23Å; K306-N309 WeakPolarHBondContact CA-OD1 3.42Å; K306-N309 PolarHBondContact O-ND2 3.4Å; K306-N309 PolarHBondContact O-OD1 2.74Å
310	K	80.9	Confident	86.3	Confident	99 Å²	99	50.9 Å²	50.9	43%	0.43	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	149.1	169	-61.4	168.4	-162.4	150.4	0	110.7	L304 T305 N308 Y312	L304-K310 WeakPolarHBondContact CD1-O 3.39Å; T305-K310 PolarHBondContact N-O 2.85Å; T305-K310 PolarHBondContact OG1-O 2.9Å; T305-K310 VanDerWaalsContact OG1-O 3.05Å; N308-K310 PolarHBondContact ND2-NZ 3.42Å; N308-K310 PolarHBondContact O-N 2.79Å; N308-K310 VanDerWaalsContact O-N 3.13Å; N308-K310 WeakPolarHBondContact OD1-CB 3.39Å; N308-K310 WeakPolarHBondContact OD1-CG 3.28Å; N308-K310 PolarHBondContact OD1-N 2.77Å; N308-K310 VanDerWaalsContact OD1-N 3.1Å; K310-Y312 HydrophobicContact CB-CD2 4.27Å; K310-Y312 HydrophobicContact CB-CE2 3.63Å; K310-Y312 HydrophobicContact CD-CE2 4.29Å; K310-Y312 WeakPolarHBondContact CD-OH 3.41Å
311	T	82.6	Confident	86.9	Confident	66 Å²	66	52.3 Å²	52.3	41%	0.405	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.7	170.2	54	0	0	0	0	110.7	I223 I302 V303 L304	I223-T311 HydrophobicContact CG2-CG2 4.29Å; I302-T311 HydrophobicContact CG2-CG2 4.21Å; V303-T311 CarbonylContact O-C 3.6Å; V303-T311 WeakPolarHBondContact O-CA 3.47Å; L304-T311 HydrophobicContact CD1-CG2 4.15Å
312	Y	86.7	Confident	87.4	Confident	39 Å²	39	50.4 Å²	50.4	15%	0.153	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	146.8	177.5	-66.7	-96.2	0	0	0	109.6	I302 V303 T305 K310 V360 A374 L376	I302-Y312 CarbonylContact C-O 3.53Å; I302-Y312 VanDerWaalsContact CA-O 3.31Å; I302-Y312 WeakPolarHBondContact CA-O 3.34Å; V303-Y312 PolarHBondContact N-O 2.77Å; V303-Y312 PolarHBondContact O-N 2.8Å; T305-Y312 HydrophobicContact CG2-CD2 4.07Å; T305-Y312 HydrophobicContact CG2-CE2 4.12Å; T305-Y312 WeakPolarHBondContact OG1-CE2 3.45Å; K310-Y312 HydrophobicContact CB-CD2 4.27Å; K310-Y312 HydrophobicContact CB-CE2 3.63Å; K310-Y312 HydrophobicContact CD-CE2 4.29Å; K310-Y312 WeakPolarHBondContact CD-OH 3.41Å; Y312-V360 HydrophobicContact CD1-CG2 4.44Å; Y312-V360 HydrophobicContact CE1-CG2 4.22Å; Y312-A374 HydrophobicContact CD1-CB 4.3Å; Y312-A374 HydrophobicContact CE1-CB 3.92Å; Y312-L376 HydrophobicContact CD1-CD1 3.93Å; Y312-L376 HydrophobicContact CD1-CD2 4.43Å; Y312-L376 HydrophobicContact CD2-CD1 3.85Å; Y312-L376 HydrophobicContact CD2-CD2 4.37Å; Y312-L376 HydrophobicContact CE1-CD2 4.29Å; Y312-L376 HydrophobicContact CE2-CD2 4.24Å; Y312-L376 HydrophobicContact CG-CD1 3.52Å; Y312-L376 HydrophobicContact CG-CD2 4.47Å
313	R	87.6	Confident	87.9	Confident	131 Å²	131	46.4 Å²	46.4	49%	0.494	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	128.6	166.9	174.5	176.9	156.4	133.4	6.6	107.6	Q301 D315 S358	Q301-R313 WeakPolarHBondContact O-CA 3.28Å; R313-D315 VanDerWaalsContact CD-OD1 3.27Å; R313-D315 WeakPolarHBondContact CD-OD1 3.35Å; R313-D315 WeakPolarHBondContact CG-OD1 3.28Å; R313-D315 IonicContact CZ-OD1 3.39Å; R313-D315 IonicContact NE-OD1 2.67Å; R313-D315 PolarHBondContact NE-OD1 2.9Å; R313-D315 IonicContact NH2-OD1 3.89Å; R313-D315 PolarHBondContact O-N 2.86Å; R313-S358 WeakPolarHBondContact O-CB 3.4Å; R313-S358 PolarHBondContact O-OG 3.05Å
314	V	90.9	Very high	88.1	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.006	24%	0.242	C	C	.	.			trans	-73.1	115.5	167.8	-178.4	0	0	0	0	106.5	G300 Q301 V303 D316 L356	G300-V314 WeakPolarHBondContact CA-O 3.23Å; G300-V314 PolarHBondContact N-O 3.19Å; Q301-V314 PolarHBondContact O-N 2.78Å; V303-V314 HydrophobicContact CG1-CG2 3.84Å; V303-V314 HydrophobicContact CG2-CG2 4.2Å; V314-D316 WeakPolarHBondContact CG1-O 3.5Å; V314-L356 HydrophobicContact CG2-CD1 4.16Å
315	D	89.5	Confident	88.6	Confident	42 Å²	42	52.4 Å²	52.4	23%	0.225	26%	0.257	C	S	.	.			trans	-101.8	-28.2	177.5	-68.2	-53.6	0	0	0	111.6	I299 R313 V357 H359	I299-D315 WeakPolarHBondContact CG2-O 3.32Å; R313-D315 VanDerWaalsContact CD-OD1 3.27Å; R313-D315 WeakPolarHBondContact CD-OD1 3.35Å; R313-D315 WeakPolarHBondContact CG-OD1 3.28Å; R313-D315 IonicContact CZ-OD1 3.39Å; R313-D315 IonicContact NE-OD1 2.67Å; R313-D315 PolarHBondContact NE-OD1 2.9Å; R313-D315 IonicContact NH2-OD1 3.89Å; R313-D315 PolarHBondContact O-N 2.86Å; D315-V357 PolarHBondContact N-O 3.33Å; D315-H359 WeakPolarHBondContact CB-ND1 3.35Å; D315-H359 PolarHBondContact OD2-N 3.21Å; D315-H359 IonicContact OD2-ND1 2.75Å
316	D	93.3	Very high	88.8	Confident	82 Å²	82	56 Å²	56	44%	0.439	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	179.9	171.4	-147.7	-19.3	0	0	0	111.7	V314 V357	V314-D316 WeakPolarHBondContact CG1-O 3.5Å; D316-V357 HydrophobicContact CB-CB 3.9Å; D316-V357 HydrophobicContact CB-CG2 4.06Å; D316-V357 PolarHBondContact N-O 2.9Å; D316-V357 PolarHBondContact O-N 2.85Å
317	I	94.7	Very high	89.4	Confident	6 Å²	6	54.9 Å²	54.9	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	121.8	173.8	-55.9	173.9	0	0	0	108.9	L298 W319 V354 L356	L298-I317 HydrophobicContact CB-CD1 4.22Å; L298-I317 HydrophobicContact CD1-CD1 3.92Å; I317-W319 HydrophobicContact CB-CZ2 4.11Å; I317-W319 HydrophobicContact CD1-CH2 4.31Å; I317-W319 HydrophobicContact CD1-CZ2 3.83Å; I317-W319 HydrophobicContact CG2-CD2 3.95Å; I317-W319 HydrophobicContact CG2-CE3 4.35Å; I317-W319 HydrophobicContact CG2-CG 4.42Å; I317-W319 HydrophobicContact CG2-CH2 4.29Å; I317-W319 HydrophobicContact CG2-CZ2 3.91Å; I317-W319 HydrophobicContact CG2-CZ3 4.49Å; I317-W319 PolarHBondContact O-N 3.13Å; I317-W319 PolarHBondContact O-NE1 3.09Å; I317-V354 HydrophobicContact CG2-CB 4.38Å; I317-V354 HydrophobicContact CG2-CG2 3.68Å; I317-L356 HydrophobicContact CG1-CD2 4.24Å
318	A	94.5	Very high	89.6	Confident	10 Å²	10	57.7 Å²	57.7	8%	0.083	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	88.5	178	0	0	0	0	0	110	D320 H321 L355 V357 M375	A318-D320 PolarHBondContact O-N 2.78Å; A318-H321 HydrophobicContact CB-CB 3.93Å; A318-H321 PolarHBondContact O-N 3.12Å; A318-L355 PolarHBondContact N-O 2.82Å; A318-L355 PolarHBondContact O-N 3.03Å; A318-V357 HydrophobicContact CB-CG2 3.85Å; A318-M375 HydrophobicContact CB-CE 3.52Å
319	W	92.9	Very high	89.6	Confident	94 Å²	94	60.8 Å²	60.8	36%	0.356	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-16.9	-176.5	-61.4	98.6	0	0	0	114.6	M278 Y290 T291 C294 I317 V354	M278-W319 HydrophobicContact CE-CZ3 4.43Å; Y290-W319 HydrophobicContact CD1-CZ3 4.42Å; Y290-W319 HydrophobicContact CE1-CH2 4.2Å; Y290-W319 AromaticContact CE1-CZ3 3.73Å; Y290-W319 HydrophobicContact CE1-CZ3 3.73Å; T291-W319 HydrophobicContact CG2-CD2 4.28Å; T291-W319 HydrophobicContact CG2-CE3 4.24Å; T291-W319 HydrophobicContact CG2-CH2 4.28Å; T291-W319 HydrophobicContact CG2-CZ2 4.29Å; T291-W319 HydrophobicContact CG2-CZ3 4.26Å; C294-W319 HydrophobicContact CB-CH2 3.91Å; C294-W319 HydrophobicContact CB-CZ2 4.47Å; I317-W319 HydrophobicContact CB-CZ2 4.11Å; I317-W319 HydrophobicContact CD1-CH2 4.31Å; I317-W319 HydrophobicContact CD1-CZ2 3.83Å; I317-W319 HydrophobicContact CG2-CD2 3.95Å; I317-W319 HydrophobicContact CG2-CE3 4.35Å; I317-W319 HydrophobicContact CG2-CG 4.42Å; I317-W319 HydrophobicContact CG2-CH2 4.29Å; I317-W319 HydrophobicContact CG2-CZ2 3.91Å; I317-W319 HydrophobicContact CG2-CZ3 4.49Å; I317-W319 PolarHBondContact O-N 3.13Å; I317-W319 PolarHBondContact O-NE1 3.09Å; W319-V354 HydrophobicContact CE3-CG1 4.02Å; W319-V354 HydrophobicContact CE3-CG2 4.25Å; W319-V354 HydrophobicContact CZ3-CG2 4.32Å
320	D	92.6	Very high	89.8	Confident	117 Å²	117	62.5 Å²	62.5	63%	0.626	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-14.4	179.6	62.4	-29.5	0	0	0	113.5	A318	A318-D320 PolarHBondContact O-N 2.78Å
321	H	93.6	Very high	89.9	Confident	61 Å²	61	65.9 Å²	65.9	28%	0.282	35%	0.352	S	S	.	.			trans	-106.5	139.1	-177.1	-73.4	72.2	0	0	0	112.5	A318 V354 L355 M375	A318-H321 HydrophobicContact CB-CB 3.93Å; A318-H321 PolarHBondContact O-N 3.12Å; H321-V354 CarbonylContact O-C 3.54Å; H321-V354 VanDerWaalsContact O-CA 3.29Å; H321-V354 WeakPolarHBondContact O-CA 3.37Å; H321-L355 HydrophobicContact CB-CB 4.38Å; H321-L355 HydrophobicContact CB-CD1 3.99Å; H321-L355 HydrophobicContact CB-CG 4.19Å; H321-L355 PolarHBondContact O-N 2.89Å; H321-M375 HydrophobicContact CB-CE 4.12Å
322	T	95.3	Very high	90.1	Very high	34 Å²	34	66.9 Å²	66.9	21%	0.209	36%	0.358	C	S	.	.			trans	-124.4	167.2	179.3	71.9	0	0	0	0	111.7	S324 N325 Q353	T322-S324 PolarHBondContact O-N 2.79Å; T322-S324 PolarHBondContact OG1-N 2.82Å; T322-N325 PolarHBondContact N-OD1 3.43Å; T322-N325 PolarHBondContact O-N 2.74Å; T322-N325 VanDerWaalsContact O-N 3.13Å; T322-N325 PolarHBondContact O-OD1 3Å; T322-N325 PolarHBondContact OG1-OD1 3.33Å; T322-Q353 WeakPolarHBondContact CA-O 3.36Å
323	P	95.3	Very high	90.3	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-17.8	168	-32.1	36.2	0	0	0	116.5	F336 K337 I348 Q353 L355 V377	P323-F336 PolarHBondContact O-N 3.02Å; P323-K337 WeakPolarHBondContact O-CB 3.42Å; P323-K337 PolarHBondContact O-N 3.32Å; P323-I348 HydrophobicContact CB-CD1 3.93Å; P323-I348 HydrophobicContact CB-CG2 4.15Å; P323-I348 HydrophobicContact CG-CD1 4.38Å; P323-I348 HydrophobicContact CG-CG2 3.98Å; P323-Q353 WeakPolarHBondContact CD-O 3.44Å; P323-Q353 HydrophobicContact CG-CG 3.73Å; P323-L355 HydrophobicContact CG-CD2 4.35Å; P323-V377 HydrophobicContact CG-CG1 4.36Å
324	S	94.3	Very high	90.6	Very high	67 Å²	67	66.4 Å²	66.4	47%	0.469	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-23.5	-179.7	-54.4	0	0	0	0	113.2	T322 S335	T322-S324 PolarHBondContact O-N 2.79Å; T322-S324 PolarHBondContact OG1-N 2.82Å; S324-S335 WeakPolarHBondContact O-CB 3.46Å
325	N	95.3	Very high	90.7	Very high	60 Å²	60	67.1 Å²	67.1	32%	0.321	37%	0.369	S	S	.	.	S	Bend	trans	-65.5	151.6	178.3	-63.4	76.7	0	0	0	111.7	T322 S335 F336	T322-N325 PolarHBondContact N-OD1 3.43Å; T322-N325 PolarHBondContact O-N 2.74Å; T322-N325 VanDerWaalsContact O-N 3.13Å; T322-N325 PolarHBondContact O-OD1 3Å; T322-N325 PolarHBondContact OG1-OD1 3.33Å; N325-S335 VanDerWaalsContact O-CA 3.28Å; N325-S335 WeakPolarHBondContact O-CA 3.1Å; N325-F336 HydrophobicContact CB-CD2 4.49Å; N325-F336 HydrophobicContact CB-CE2 4.38Å; N325-F336 WeakPolarHBondContact O-CD2 3.46Å; N325-F336 PolarHBondContact O-N 2.8Å; N325-F336 VanDerWaalsContact O-N 3.13Å
326	T	92.4	Very high	90.9	Very high	76 Å²	76	65.9 Å²	65.9	47%	0.466	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	160.2	-180	55.3	0	0	0	0	113.5	E333 I334	T326-E333 WeakPolarHBondContact CB-OE2 3.41Å; T326-E333 PolarHBondContact OG1-OE2 2.91Å; T326-I334 WeakPolarHBondContact CA-O 3.48Å
327	F	89.5	Confident	90.9	Very high	59 Å²	59	65 Å²	65	26%	0.259	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	155.1	164.1	73	-81.6	0	0	0	110.3	R329 I334 F336 Y339	F327-R329 HydrophobicContact CE2-CB 4.29Å; F327-I334 HydrophobicContact CD1-CG2 4.35Å; F327-I334 WeakPolarHBondContact CD1-O 3.48Å; F327-I334 HydrophobicContact CE1-CG2 3.87Å; F327-I334 HydrophobicContact CE2-CG2 4.41Å; F327-I334 HydrophobicContact CZ-CG2 3.9Å; F327-I334 PolarHBondContact N-O 2.91Å; F327-I334 PolarHBondContact O-N 2.91Å; F327-F336 HydrophobicContact CB-CE1 4.38Å; F327-F336 HydrophobicContact CB-CZ 4.05Å; F327-F336 AromaticContact CD1-CD1 3.62Å; F327-F336 HydrophobicContact CD1-CD1 3.62Å; F327-F336 AromaticContact CD1-CE1 3.36Å; F327-F336 HydrophobicContact CD1-CE1 3.36Å; F327-F336 HydrophobicContact CD1-CE2 4.33Å; F327-F336 HydrophobicContact CD1-CG 4.2Å; F327-F336 AromaticContact CD1-CZ 3.76Å; F327-F336 HydrophobicContact CD1-CZ 3.76Å; F327-F336 AromaticContact CE1-CD1 3.68Å; F327-F336 HydrophobicContact CE1-CD1 3.68Å; F327-F336 AromaticContact CE1-CE1 3.79Å; F327-F336 HydrophobicContact CE1-CE1 3.79Å; F327-F336 HydrophobicContact CE1-CG 4.41Å; F327-F336 AromaticContact CG-CE1 3.98Å; F327-F336 HydrophobicContact CG-CE1 3.98Å; F327-F336 HydrophobicContact CG-CZ 4.15Å; F327-Y339 HydrophobicContact CE1-CD1 4.37Å; F327-Y339 HydrophobicContact CE1-CD2 4.43Å; F327-Y339 AromaticContact CE1-CG 3.95Å; F327-Y339 HydrophobicContact CE1-CG 3.95Å; F327-Y339 HydrophobicContact CZ-CD1 4.13Å; F327-Y339 AromaticContact CZ-CD2 3.74Å; F327-Y339 HydrophobicContact CZ-CD2 3.74Å; F327-Y339 HydrophobicContact CZ-CE2 4.26Å; F327-Y339 AromaticContact CZ-CG 3.66Å; F327-Y339 HydrophobicContact CZ-CG 3.66Å
328	T	86.8	Confident	90.8	Very high	101 Å²	101	68.7 Å²	68.7	62%	0.62	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	129.4	-179.6	-22.7	0	0	0	0	111.6	G330	T328-G330 WeakPolarHBondContact CG2-O 3.18Å
329	R	78.6	Confident	90.7	Very high	104 Å²	104	70.3 Å²	70.3	39%	0.392	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	93.9	178	-177.4	-169.1	170.5	152.3	5.6	109	F327 D331 T332 I334	F327-R329 HydrophobicContact CE2-CB 4.29Å; R329-D331 PolarHBondContact O-N 2.91Å; R329-T332 PolarHBondContact N-O 2.93Å; R329-T332 PolarHBondContact O-N 3.44Å; R329-T332 PolarHBondContact O-OG1 3.18Å; R329-I334 HydrophobicContact CB-CG2 4.04Å
330	G	79.6	Confident	90.6	Very high	63 Å²	63	66.3 Å²	66.3	65%	0.649	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	-129.1	-165.5	0	0	0	0	0	108.5	T328 T332	T328-G330 WeakPolarHBondContact CG2-O 3.18Å; G330-T332 VanDerWaalsContact C-N 3.31Å; G330-T332 PolarHBondContact O-N 3.17Å
331	D	81.3	Confident	90.6	Very high	171 Å²	171	65.1 Å²	65.1	91%	0.914	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	14.5	-178.1	-38.6	-69.7	0	0	0	113.1	R329	R329-D331 PolarHBondContact O-N 2.91Å
332	T	86.8	Confident	90.4	Very high	87 Å²	87	68 Å²	68	53%	0.534	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	137.5	-177.3	57.8	0	0	0	0	112	R329 G330	R329-T332 PolarHBondContact N-O 2.93Å; R329-T332 PolarHBondContact O-N 3.44Å; R329-T332 PolarHBondContact O-OG1 3.18Å; G330-T332 VanDerWaalsContact C-N 3.31Å; G330-T332 PolarHBondContact O-N 3.17Å
333	E	91.2	Very high	90	Very high	133 Å²	133	70.1 Å²	70.1	62%	0.621	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	144.6	165	-76.2	-155.7	-165.9	0	0	111.9	T326	T326-E333 WeakPolarHBondContact CB-OE2 3.41Å; T326-E333 PolarHBondContact OG1-OE2 2.91Å
334	I	93.5	Very high	89.6	Confident	26 Å²	26	73.4 Å²	73.4	13%	0.133	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	138.9	175.9	-168.7	166.4	0	0	0	110.3	T326 F327 R329 N338	T326-I334 WeakPolarHBondContact CA-O 3.48Å; F327-I334 HydrophobicContact CD1-CG2 4.35Å; F327-I334 WeakPolarHBondContact CD1-O 3.48Å; F327-I334 HydrophobicContact CE1-CG2 3.87Å; F327-I334 HydrophobicContact CE2-CG2 4.41Å; F327-I334 HydrophobicContact CZ-CG2 3.9Å; F327-I334 PolarHBondContact N-O 2.91Å; F327-I334 PolarHBondContact O-N 2.91Å; R329-I334 HydrophobicContact CB-CG2 4.04Å; I334-N338 HydrophobicContact CD1-CB 4.27Å; I334-N338 HydrophobicContact CG1-CB 3.84Å
335	S	94.4	Very high	89.4	Confident	17 Å²	17	73 Å²	73	12%	0.119	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	152.2	172.6	66.8	0	0	0	0	111.2	S324 N325 K337 N338 Y339	S324-S335 WeakPolarHBondContact O-CB 3.46Å; N325-S335 VanDerWaalsContact O-CA 3.28Å; N325-S335 WeakPolarHBondContact O-CA 3.1Å; S335-K337 PolarHBondContact O-N 2.66Å; S335-N338 PolarHBondContact O-N 3.41Å; S335-N338 WeakPolarHBondContact OG-CB 3.37Å; S335-N338 PolarHBondContact OG-N 3.01Å; S335-N338 PolarHBondContact OG-ND2 3.49Å; S335-Y339 WeakPolarHBondContact O-CB 3.17Å; S335-Y339 PolarHBondContact O-N 3.3Å
336	F	92.8	Very high	89.2	Confident	15 Å²	15	72.9 Å²	72.9	7%	0.066	40%	0.396	C	S	.	.	H	α-helix	trans	-56.3	-42.1	176	-66.6	-74.8	0	0	0	111.5	P323 N325 F327 Y339 Y340 L355 M375	P323-F336 PolarHBondContact O-N 3.02Å; N325-F336 HydrophobicContact CB-CD2 4.49Å; N325-F336 HydrophobicContact CB-CE2 4.38Å; N325-F336 WeakPolarHBondContact O-CD2 3.46Å; N325-F336 PolarHBondContact O-N 2.8Å; N325-F336 VanDerWaalsContact O-N 3.13Å; F327-F336 HydrophobicContact CB-CE1 4.38Å; F327-F336 HydrophobicContact CB-CZ 4.05Å; F327-F336 AromaticContact CD1-CD1 3.62Å; F327-F336 HydrophobicContact CD1-CD1 3.62Å; F327-F336 AromaticContact CD1-CE1 3.36Å; F327-F336 HydrophobicContact CD1-CE1 3.36Å; F327-F336 HydrophobicContact CD1-CE2 4.33Å; F327-F336 HydrophobicContact CD1-CG 4.2Å; F327-F336 AromaticContact CD1-CZ 3.76Å; F327-F336 HydrophobicContact CD1-CZ 3.76Å; F327-F336 AromaticContact CE1-CD1 3.68Å; F327-F336 HydrophobicContact CE1-CD1 3.68Å; F327-F336 AromaticContact CE1-CE1 3.79Å; F327-F336 HydrophobicContact CE1-CE1 3.79Å; F327-F336 HydrophobicContact CE1-CG 4.41Å; F327-F336 AromaticContact CG-CE1 3.98Å; F327-F336 HydrophobicContact CG-CE1 3.98Å; F327-F336 HydrophobicContact CG-CZ 4.15Å; F336-Y339 PolarHBondContact O-N 3.22Å; F336-Y340 WeakPolarHBondContact O-CD2 3.5Å; F336-Y340 PolarHBondContact O-N 2.72Å; F336-L355 HydrophobicContact CD2-CD1 3.52Å; F336-L355 HydrophobicContact CE1-CD1 4.47Å; F336-L355 HydrophobicContact CE2-CD1 3.47Å; F336-L355 VanDerWaalsContact CE2-CD1 3.47Å; F336-L355 HydrophobicContact CG-CD1 4.07Å; F336-L355 HydrophobicContact CZ-CD1 3.98Å; F336-M375 HydrophobicContact CE1-CB 3.69Å; F336-M375 HydrophobicContact CE1-CG 4.4Å; F336-M375 HydrophobicContact CZ-CB 3.7Å; F336-M375 HydrophobicContact CZ-CG 4.01Å
337	K	93.9	Very high	89.2	Confident	65 Å²	65	72.8 Å²	72.8	28%	0.283	39%	0.392	S	S	.	.	H	α-helix	trans	-56.2	-50.9	173.9	-174	172.6	-175.4	169.5	0	112.8	P323 S335 Y339 Y340 K341 I348 V351	P323-K337 WeakPolarHBondContact O-CB 3.42Å; P323-K337 PolarHBondContact O-N 3.32Å; S335-K337 PolarHBondContact O-N 2.66Å; K337-Y339 VanDerWaalsContact C-N 3.32Å; K337-Y339 PolarHBondContact O-N 3Å; K337-Y340 PolarHBondContact O-N 3.13Å; K337-K341 PolarHBondContact O-N 2.86Å; K337-I348 HydrophobicContact CB-CD1 4.31Å; K337-I348 HydrophobicContact CG-CB 4.5Å; K337-V351 HydrophobicContact CD-CG1 4.05Å
338	N	92.3	Very high	89.5	Confident	82 Å²	82	70.2 Å²	70.2	44%	0.439	38%	0.381	S	S	.	.	H	α-helix	trans	-69.2	-32.9	-179.6	-67	-3	0	0	0	111.5	I334 S335 N342	I334-N338 HydrophobicContact CD1-CB 4.27Å; I334-N338 HydrophobicContact CG1-CB 3.84Å; S335-N338 PolarHBondContact O-N 3.41Å; S335-N338 WeakPolarHBondContact OG-CB 3.37Å; S335-N338 PolarHBondContact OG-N 3.01Å; S335-N338 PolarHBondContact OG-ND2 3.49Å; N338-N342 WeakPolarHBondContact O-CB 3.47Å; N338-N342 PolarHBondContact O-N 2.81Å; N338-N342 PolarHBondContact O-OD1 2.94Å
339	Y	92.6	Very high	89.7	Confident	45 Å²	45	73 Å²	73	18%	0.176	39%	0.387	C	S	.	.	H	α-helix	trans	-62.5	-48	172.7	171.2	-100.6	0	0	0	112	F327 S335 F336 K337 N342 Q343 Y344	F327-Y339 HydrophobicContact CE1-CD1 4.37Å; F327-Y339 HydrophobicContact CE1-CD2 4.43Å; F327-Y339 AromaticContact CE1-CG 3.95Å; F327-Y339 HydrophobicContact CE1-CG 3.95Å; F327-Y339 HydrophobicContact CZ-CD1 4.13Å; F327-Y339 AromaticContact CZ-CD2 3.74Å; F327-Y339 HydrophobicContact CZ-CD2 3.74Å; F327-Y339 HydrophobicContact CZ-CE2 4.26Å; F327-Y339 AromaticContact CZ-CG 3.66Å; F327-Y339 HydrophobicContact CZ-CG 3.66Å; S335-Y339 WeakPolarHBondContact O-CB 3.17Å; S335-Y339 PolarHBondContact O-N 3.3Å; F336-Y339 PolarHBondContact O-N 3.22Å; K337-Y339 VanDerWaalsContact C-N 3.32Å; K337-Y339 PolarHBondContact O-N 3Å; Y339-N342 PolarHBondContact O-N 3.12Å; Y339-Q343 HydrophobicContact CD2-CB 4.26Å; Y339-Q343 HydrophobicContact CE2-CB 3.98Å; Y339-Q343 HydrophobicContact CE2-CG 3.99Å; Y339-Q343 WeakPolarHBondContact O-CB 3.26Å; Y339-Q343 PolarHBondContact O-N 2.74Å; Y339-Y344 AromaticContact CE1-CE2 3.82Å; Y339-Y344 HydrophobicContact CE1-CE2 3.82Å; Y339-Y344 AromaticContact CZ-CE2 3.98Å; Y339-Y344 PolarHBondContact OH-OH 3.31Å
340	Y	91.5	Very high	90.4	Very high	9 Å²	9	70.7 Å²	70.7	4%	0.035	38%	0.382	C	S	.	.	H	α-helix	trans	-66.8	-39.2	-179.6	-79.1	-67.2	0	0	0	112.5	Y307 F336 K337 Y344 G345 L346 I348 V377 L380	Y307-Y340 HydrophobicContact CD2-CE1 4.37Å; Y307-Y340 HydrophobicContact CE1-CE1 4.06Å; Y307-Y340 HydrophobicContact CE2-CD1 4.39Å; Y307-Y340 AromaticContact CE2-CE1 3.61Å; Y307-Y340 HydrophobicContact CE2-CE1 3.61Å; Y307-Y340 AromaticContact CZ-CE1 3.44Å; Y307-Y340 VanDerWaalsContact CZ-CE1 3.44Å; Y307-Y340 WeakPolarHBondContact OH-CE1 3.38Å; Y307-Y340 PolarHBondContact OH-OH 2.97Å; F336-Y340 WeakPolarHBondContact O-CD2 3.5Å; F336-Y340 PolarHBondContact O-N 2.72Å; K337-Y340 PolarHBondContact O-N 3.13Å; Y340-Y344 AromaticContact CD1-CD2 3.69Å; Y340-Y344 HydrophobicContact CD1-CD2 3.69Å; Y340-Y344 HydrophobicContact CD1-CE2 4.07Å; Y340-Y344 HydrophobicContact CE1-CD2 4.09Å; Y340-Y344 HydrophobicContact CE1-CE2 4.01Å; Y340-Y344 PolarHBondContact O-N 3.06Å; Y340-Y344 VanDerWaalsContact O-N 3.07Å; Y340-G345 PolarHBondContact O-N 2.75Å; Y340-L346 CarbonylContact C-O 3.3Å; Y340-L346 VanDerWaalsContact C-O 3.3Å; Y340-L346 PolarHBondContact O-N 2.82Å; Y340-I348 HydrophobicContact CD2-CD1 3.99Å; Y340-I348 HydrophobicContact CG-CD1 4.47Å; Y340-V377 HydrophobicContact CD2-CG2 3.9Å; Y340-V377 HydrophobicContact CE2-CG2 3.6Å; Y340-L380 HydrophobicContact CD1-CD1 3.59Å; Y340-L380 HydrophobicContact CD2-CD1 4.13Å; Y340-L380 HydrophobicContact CE1-CD1 4.06Å; Y340-L380 HydrophobicContact CG-CD1 3.67Å
341	K	91.5	Very high	91	Very high	93 Å²	93	69.7 Å²	69.7	40%	0.404	36%	0.363	S	S	.	.	H	α-helix	trans	-63.4	-52.1	173.8	-162.6	-179	-179.2	82.4	0	111.4	K337 Q343 G345 L346 D347	K337-K341 PolarHBondContact O-N 2.86Å; K341-Q343 PolarHBondContact O-N 3.18Å; K341-G345 VanDerWaalsContact O-CA 3.24Å; K341-G345 WeakPolarHBondContact O-CA 3.27Å; K341-G345 PolarHBondContact O-N 3.13Å; K341-L346 VanDerWaalsContact CA-O 3.3Å; K341-L346 WeakPolarHBondContact CA-O 3.16Å; K341-L346 PolarHBondContact N-O 2.93Å; K341-L346 VanDerWaalsContact N-O 3.09Å; K341-D347 IonicContact NZ-OD1 3.15Å; K341-D347 PolarHBondContact NZ-OD1 3.48Å; K341-D347 IonicContact NZ-OD2 2.69Å; K341-D347 PolarHBondContact NZ-OD2 3.15Å
342	N	89.9	Confident	91.5	Very high	120 Å²	120	67.5 Å²	67.5	64%	0.642	35%	0.352	S	S	*	.	H	α-helix	trans	-73.8	-28.7	-174.6	-64	0.2	0	0	0	113.7	N338 Y339	N338-N342 WeakPolarHBondContact O-CB 3.47Å; N338-N342 PolarHBondContact O-N 2.81Å; N338-N342 PolarHBondContact O-OD1 2.94Å; Y339-N342 PolarHBondContact O-N 3.12Å
343	Q	87.4	Confident	91.9	Very high	79 Å²	79	63.7 Å²	63.7	37%	0.369	33%	0.328	S	S	.	.	H	α-helix	trans	-95.8	-25.9	-175.7	-172.6	55.7	83.9	0	0	114	Y339 K341	Y339-Q343 HydrophobicContact CD2-CB 4.26Å; Y339-Q343 HydrophobicContact CE2-CB 3.98Å; Y339-Q343 HydrophobicContact CE2-CG 3.99Å; Y339-Q343 WeakPolarHBondContact O-CB 3.26Å; Y339-Q343 PolarHBondContact O-N 2.74Å; K341-Q343 PolarHBondContact O-N 3.18Å
344	Y	87.3	Confident	92.1	Very high	69 Å²	69	58.5 Å²	58.5	27%	0.271	31%	0.305	S	S	.	.	H	α-helix	trans	-133.9	-3.2	-173.2	-57.7	-73.4	0	0	0	114.2	Y307 N308 Y339 Y340 L346	Y307-Y344 AromaticContact CD2-CD1 3.82Å; Y307-Y344 HydrophobicContact CD2-CD1 3.82Å; Y307-Y344 AromaticContact CD2-CD2 3.86Å; Y307-Y344 HydrophobicContact CD2-CD2 3.86Å; Y307-Y344 AromaticContact CD2-CE1 3.71Å; Y307-Y344 HydrophobicContact CD2-CE1 3.71Å; Y307-Y344 AromaticContact CD2-CE2 3.72Å; Y307-Y344 HydrophobicContact CD2-CE2 3.72Å; Y307-Y344 AromaticContact CD2-CG 3.9Å; Y307-Y344 HydrophobicContact CD2-CG 3.9Å; Y307-Y344 AromaticContact CD2-CZ 3.64Å; Y307-Y344 HydrophobicContact CE2-CD2 4.22Å; Y307-Y344 HydrophobicContact CE2-CE1 4.36Å; Y307-Y344 AromaticContact CE2-CE2 3.74Å; Y307-Y344 HydrophobicContact CE2-CE2 3.74Å; Y307-Y344 AromaticContact CE2-CZ 3.82Å; Y307-Y344 HydrophobicContact CG-CD1 4.5Å; Y307-Y344 HydrophobicContact CG-CG 4.44Å; N308-Y344 HydrophobicContact CB-CE1 4.34Å; Y339-Y344 AromaticContact CE1-CE2 3.82Å; Y339-Y344 HydrophobicContact CE1-CE2 3.82Å; Y339-Y344 AromaticContact CZ-CE2 3.98Å; Y339-Y344 PolarHBondContact OH-OH 3.31Å; Y340-Y344 AromaticContact CD1-CD2 3.69Å; Y340-Y344 HydrophobicContact CD1-CD2 3.69Å; Y340-Y344 HydrophobicContact CD1-CE2 4.07Å; Y340-Y344 HydrophobicContact CE1-CD2 4.09Å; Y340-Y344 HydrophobicContact CE1-CE2 4.01Å; Y340-Y344 PolarHBondContact O-N 3.06Å; Y340-Y344 VanDerWaalsContact O-N 3.07Å; Y344-L346 VanDerWaalsContact C-N 3.32Å
345	G	90.1	Very high	92.2	Very high	60 Å²	60	57.3 Å²	57.3	62%	0.619	30%	0.299	S	S	*	.	S	Bend	trans	71.3	25.1	-175.8	0	0	0	0	0	113.7	Y340 K341	Y340-G345 PolarHBondContact O-N 2.75Å; K341-G345 VanDerWaalsContact O-CA 3.24Å; K341-G345 WeakPolarHBondContact O-CA 3.27Å; K341-G345 PolarHBondContact O-N 3.13Å
346	L	90.4	Very high	92.2	Very high	57 Å²	57	56.5 Å²	56.5	30%	0.298	29%	0.293	S	S	.	.			trans	-111.8	118.3	-173.5	-63.2	177.7	0	0	0	112.2	Y307 Y340 K341 Y344 L380	Y307-L346 HydrophobicContact CD1-CD1 4.28Å; Y307-L346 HydrophobicContact CG-CD1 4.14Å; Y340-L346 CarbonylContact C-O 3.3Å; Y340-L346 VanDerWaalsContact C-O 3.3Å; Y340-L346 PolarHBondContact O-N 2.82Å; K341-L346 VanDerWaalsContact CA-O 3.3Å; K341-L346 WeakPolarHBondContact CA-O 3.16Å; K341-L346 PolarHBondContact N-O 2.93Å; K341-L346 VanDerWaalsContact N-O 3.09Å; Y344-L346 VanDerWaalsContact C-N 3.32Å; L346-L380 HydrophobicContact CD1-CD1 4.41Å; L346-L380 HydrophobicContact CD1-CD2 4.38Å
347	D	92.9	Very high	92.3	Very high	74 Å²	74	56.5 Å²	56.5	40%	0.396	30%	0.295	S	S	.	.			trans	-78.9	146.2	165.1	-77.3	-80.9	0	0	0	111.3	K341	K341-D347 IonicContact NZ-OD1 3.15Å; K341-D347 PolarHBondContact NZ-OD1 3.48Å; K341-D347 IonicContact NZ-OD2 2.69Å; K341-D347 PolarHBondContact NZ-OD2 3.15Å
348	I	93.9	Very high	92.1	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.021	28%	0.283	C	S	.	.			trans	-106.6	126.9	175.3	-58.5	175.7	0	0	0	107.8	P323 K337 Y340 V377 E379 L380	P323-I348 HydrophobicContact CB-CD1 3.93Å; P323-I348 HydrophobicContact CB-CG2 4.15Å; P323-I348 HydrophobicContact CG-CD1 4.38Å; P323-I348 HydrophobicContact CG-CG2 3.98Å; K337-I348 HydrophobicContact CB-CD1 4.31Å; K337-I348 HydrophobicContact CG-CB 4.5Å; Y340-I348 HydrophobicContact CD2-CD1 3.99Å; Y340-I348 HydrophobicContact CG-CD1 4.47Å; I348-V377 HydrophobicContact CD1-CB 4.46Å; I348-V377 HydrophobicContact CD1-CG1 4.06Å; I348-V377 HydrophobicContact CD1-CG2 3.8Å; I348-V377 HydrophobicContact CG1-CG1 4.47Å; I348-V377 HydrophobicContact CG2-CG1 4.12Å; I348-E379 WeakPolarHBondContact CG2-OE2 3.49Å; I348-L380 HydrophobicContact CG1-CD1 4.42Å
349	H	92.8	Very high	91.9	Very high	159 Å²	159	55 Å²	55	74%	0.736	29%	0.286	S	S	*	.	S	Bend	trans	-85.8	-50.3	-173.9	-57.9	79	0	0	0	111.4	V351 E379	H349-V351 PolarHBondContact O-N 3.02Å; H349-E379 IonicContact CE1-OE1 2.64Å; H349-E379 IonicContact CG-OE1 3.85Å; H349-E379 PolarHBondContact N-OE1 3.38Å; H349-E379 PolarHBondContact N-OE2 2.96Å; H349-E379 IonicContact ND1-OE1 3.55Å; H349-E379 PolarHBondContact ND1-OE1 3.16Å
350	D	92.1	Very high	90.9	Very high	56 Å²	56	55.6 Å²	55.6	30%	0.299	30%	0.295	S	S	.	.			trans	-87.7	98.3	175.7	-173.5	-5.1	0	0	0	110.5	L275 N352 Q353 E379	L275-D350 HydrophobicContact CD2-CB 3.97Å; D350-N352 PolarHBondContact O-N 2.83Å; D350-N352 WeakPolarHBondContact OD1-CA 3.16Å; D350-N352 PolarHBondContact OD1-N 2.92Å; D350-Q353 HydrophobicContact CB-CB 4.24Å; D350-Q353 WeakPolarHBondContact O-CG 3.44Å; D350-Q353 PolarHBondContact O-NE2 2.78Å; D350-Q353 PolarHBondContact OD1-N 3.04Å; D350-Q353 VanDerWaalsContact OD1-N 3.12Å; D350-E379 PolarHBondContact N-OE2 3.18Å; D350-E379 VanDerWaalsContact N-OE2 3.13Å
351	V	91.9	Very high	89.5	Confident	42 Å²	42	62.5 Å²	62.5	26%	0.255	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-8.8	177.2	-62	0	0	0	0	114	K337 H349	K337-V351 HydrophobicContact CD-CG1 4.05Å; H349-V351 PolarHBondContact O-N 3.02Å
352	N	92.2	Very high	87.7	Confident	125 Å²	125	64.2 Å²	64.2	67%	0.668	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-0.1	-177.2	-61	-45.8	0	0	0	113	D350	D350-N352 PolarHBondContact O-N 2.83Å; D350-N352 WeakPolarHBondContact OD1-CA 3.16Å; D350-N352 PolarHBondContact OD1-N 2.92Å
353	Q	94.4	Very high	85.5	Confident	8 Å²	8	66.2 Å²	66.2	4%	0.037	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-62.6	147.7	172.1	74.8	-168.1	-81.3	0	0	110.7	L275 T322 P323 D350 V377 P378 E379	L275-Q353 HydrophobicContact CD1-CB 3.89Å; T322-Q353 WeakPolarHBondContact CA-O 3.36Å; P323-Q353 WeakPolarHBondContact CD-O 3.44Å; P323-Q353 HydrophobicContact CG-CG 3.73Å; D350-Q353 HydrophobicContact CB-CB 4.24Å; D350-Q353 WeakPolarHBondContact O-CG 3.44Å; D350-Q353 PolarHBondContact O-NE2 2.78Å; D350-Q353 PolarHBondContact OD1-N 3.04Å; D350-Q353 VanDerWaalsContact OD1-N 3.12Å; Q353-V377 HydrophobicContact CG-CG1 4.36Å; Q353-V377 VanDerWaalsContact OE1-CG1 3.3Å; Q353-P378 VanDerWaalsContact OE1-CD 3.23Å; Q353-E379 PolarHBondContact NE2-OE2 3.04Å; Q353-E379 VanDerWaalsContact OE1-CB 3.31Å
354	V	95.6	Very high	83.8	Confident	24 Å²	24	64 Å²	64	15%	0.145	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-76.4	167.4	175.6	-60	0	0	0	0	111.4	M278 I317 W319 H321 P378	M278-V354 HydrophobicContact CE-CG2 3.34Å; I317-V354 HydrophobicContact CG2-CB 4.38Å; I317-V354 HydrophobicContact CG2-CG2 3.68Å; W319-V354 HydrophobicContact CE3-CG1 4.02Å; W319-V354 HydrophobicContact CE3-CG2 4.25Å; W319-V354 HydrophobicContact CZ3-CG2 4.32Å; H321-V354 CarbonylContact O-C 3.54Å; H321-V354 VanDerWaalsContact O-CA 3.29Å; H321-V354 WeakPolarHBondContact O-CA 3.37Å; V354-P378 WeakPolarHBondContact O-CD 3.45Å; V354-P378 WeakPolarHBondContact O-CG 3.48Å
355	L	95.9	Very high	81.8	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	148.2	177.3	-58.8	-175.9	0	0	0	113.1	A318 H321 P323 F336 M375 V377	A318-L355 PolarHBondContact N-O 2.82Å; A318-L355 PolarHBondContact O-N 3.03Å; H321-L355 HydrophobicContact CB-CB 4.38Å; H321-L355 HydrophobicContact CB-CD1 3.99Å; H321-L355 HydrophobicContact CB-CG 4.19Å; H321-L355 PolarHBondContact O-N 2.89Å; P323-L355 HydrophobicContact CG-CD2 4.35Å; F336-L355 HydrophobicContact CD2-CD1 3.52Å; F336-L355 HydrophobicContact CE1-CD1 4.47Å; F336-L355 HydrophobicContact CE2-CD1 3.47Å; F336-L355 VanDerWaalsContact CE2-CD1 3.47Å; F336-L355 HydrophobicContact CG-CD1 4.07Å; F336-L355 HydrophobicContact CZ-CD1 3.98Å; L355-M375 HydrophobicContact CB-CE 4.33Å; L355-M375 HydrophobicContact CD1-CB 4.1Å; L355-M375 HydrophobicContact CD1-CE 4.43Å; L355-V377 HydrophobicContact CD2-CG2 3.91Å
356	L	95.4	Very high	79.5	Confident	0 Å²	0	71 Å²	71	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	135.8	173.1	-49.4	174.2	0	0	0	110	V274 L298 V314 I317 M375 L376 P378 C381	V274-L356 HydrophobicContact CB-CD1 4.18Å; V274-L356 HydrophobicContact CG1-CD1 3.94Å; V274-L356 HydrophobicContact CG1-CD2 4.09Å; V274-L356 HydrophobicContact CG2-CD1 4.02Å; L298-L356 HydrophobicContact CD1-CD2 4.43Å; V314-L356 HydrophobicContact CG2-CD1 4.16Å; I317-L356 HydrophobicContact CG1-CD2 4.24Å; L356-M375 CarbonylContact O-C 3.49Å; L356-M375 WeakPolarHBondContact O-CA 3.3Å; L356-L376 HydrophobicContact CB-CB 4.3Å; L356-L376 PolarHBondContact N-O 3.41Å; L356-L376 PolarHBondContact O-N 2.98Å; L356-P378 HydrophobicContact CD2-CG 4.18Å; L356-P378 HydrophobicContact CG-CG 4.03Å; L356-C381 HydrophobicContact CD1-CB 4.14Å
357	V	93.6	Very high	77.7	Confident	16 Å²	16	72.5 Å²	72.5	10%	0.097	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.8	-179.2	-168.4	0	0	0	0	109.9	D315 D316 A318 P373 M375	D315-V357 PolarHBondContact N-O 3.33Å; D316-V357 HydrophobicContact CB-CB 3.9Å; D316-V357 HydrophobicContact CB-CG2 4.06Å; D316-V357 PolarHBondContact N-O 2.9Å; D316-V357 PolarHBondContact O-N 2.85Å; A318-V357 HydrophobicContact CB-CG2 3.85Å; V357-P373 HydrophobicContact CG1-CB 3.58Å; V357-P373 HydrophobicContact CG1-CG 4.18Å; V357-M375 HydrophobicContact CB-SD 4.48Å; V357-M375 HydrophobicContact CG1-SD 4.32Å; V357-M375 HydrophobicContact CG2-CE 4.47Å; V357-M375 HydrophobicContact CG2-SD 4.03Å
358	S	91.4	Very high	75.8	Confident	6 Å²	6	71.3 Å²	71.3	4%	0.042	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	119.3	176.4	-167.2	0	0	0	0	112.3	R313 V360 A374	R313-S358 WeakPolarHBondContact O-CB 3.4Å; R313-S358 PolarHBondContact O-OG 3.05Å; S358-V360 PolarHBondContact O-N 3.48Å; S358-V360 VanDerWaalsContact O-N 3.08Å; S358-A374 PolarHBondContact N-O 3.47Å; S358-A374 PolarHBondContact O-N 3.4Å
359	H	86.3	Confident	73.8	Confident	108 Å²	108	76.4 Å²	76.4	50%	0.5	44%	0.436	S	S	.	.			trans	-83.6	88.7	-177.5	-69.5	98	0	0	0	110.8	D315 K361	D315-H359 WeakPolarHBondContact CB-ND1 3.35Å; D315-H359 PolarHBondContact OD2-N 3.21Å; D315-H359 IonicContact OD2-ND1 2.75Å; H359-K361 PolarHBondContact O-N 3.13Å
360	V	72.7	Confident	72.1	Confident	59 Å²	59	74.3 Å²	74.3	36%	0.358	44%	0.437	S	S	.	.			trans	-67.4	103.6	-176.6	-176	0	0	0	0	110.4	Y312 S358 K362 A374	Y312-V360 HydrophobicContact CD1-CG2 4.44Å; Y312-V360 HydrophobicContact CE1-CG2 4.22Å; S358-V360 PolarHBondContact O-N 3.48Å; S358-V360 VanDerWaalsContact O-N 3.08Å; V360-K362 HydrophobicContact CG1-CB 4.35Å; V360-K362 HydrophobicContact CG1-CG 4.3Å; V360-K362 PolarHBondContact O-N 2.93Å; V360-A374 HydrophobicContact CG2-CB 3.58Å
361	K	60.8	Low	70.7	Confident	153 Å²	153	75 Å²	75	67%	0.665	44%	0.444	S	S	*	.			trans	-66.8	41.1	179.7	-61.4	-163.3	173.9	-162.3	0	115.4	H359	H359-K361 PolarHBondContact O-N 3.13Å
362	K	54.5	Low	69.7	Low	130 Å²	130	75.6 Å²	75.6	57%	0.565	46%	0.458	S	S	*	.			trans	-94.3	112.3	167.4	-83.7	-173.3	175.5	-177.6	0	109.4	V360 G364 P371	V360-K362 HydrophobicContact CG1-CB 4.35Å; V360-K362 HydrophobicContact CG1-CG 4.3Å; V360-K362 PolarHBondContact O-N 2.93Å; K362-G364 PolarHBondContact O-N 2.95Å; K362-P371 VanDerWaalsContact O-CG 3.25Å; K362-P371 WeakPolarHBondContact O-CG 3.35Å
363	M	44.6	Very low	69.3	Low	162 Å²	162	72.6 Å²	72.6	80%	0.798	45%	0.446	S	S	*	.			trans	-51.3	139.6	151.1	-78	-71.5	-173.1	0	0	109.5	R77	R77-M363 PolarHBondContact NH2-O 3.48Å
364	G	50.1	Low	69.1	Low	32 Å²	32	73.3 Å²	73.3	33%	0.33	45%	0.453	S	S	.	.			trans	-72.4	-147.1	170.3	0	0	0	0	0	112	K362	K362-G364 PolarHBondContact O-N 2.95Å
365	L	46.9	Very low	68.9	Low	139 Å²	139	73.9 Å²	73.9	73%	0.728	46%	0.455	S	S	*	.	S	Bend	trans	-77.6	154.5	152.6	-72.5	90.6	0	0	0	108.4	G367 A368	L365-G367 PolarHBondContact O-N 2.77Å; L365-A368 WeakPolarHBondContact O-CB 3.39Å; L365-A368 PolarHBondContact O-N 2.95Å; L365-A368 VanDerWaalsContact O-N 3.14Å
366	P	41.5	Very low	68.9	Low	136 Å²	136	74 Å²	74	88%	0.883	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	131.7	168.8	-21.7	33.6	0	0	0	110.1
367	G	51.8	Low	68.9	Low	89 Å²	89	74 Å²	74	92%	0.918	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	-13.9	-177.5	0	0	0	0	0	115.9	L365	L365-G367 PolarHBondContact O-N 2.77Å
368	A	52.7	Low	69	Low	50 Å²	50	73.3 Å²	73.3	41%	0.413	45%	0.451	S	S	.	.	S	Bend	trans	-75.6	144.4	170.6	0	0	0	0	0	110.9	L365	L365-A368 WeakPolarHBondContact O-CB 3.39Å; L365-A368 PolarHBondContact O-N 2.95Å; L365-A368 VanDerWaalsContact O-N 3.14Å
369	P	51.9	Low	69.2	Low	110 Å²	110	74.2 Å²	74.2	71%	0.714	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-57.9	149.2	172.7	25	-33.8	0	0	0	110.7
370	P	56.9	Low	69.5	Low	116 Å²	116	70 Å²	70	75%	0.753	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-59.7	131.6	179.4	25.6	-33.6	0	0	0	109.4	G372	P370-G372 PolarHBondContact O-N 3.2Å
371	P	63.7	Low	70.4	Confident	70 Å²	70	67.1 Å²	67.1	46%	0.455	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-61.7	126	176.9	25.6	-32.7	0	0	0	108.9	K362	K362-P371 VanDerWaalsContact O-CG 3.25Å; K362-P371 WeakPolarHBondContact O-CG 3.35Å
372	G	70.6	Confident	71.7	Confident	54 Å²	54	62.1 Å²	62.1	56%	0.557	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-57.1	163.7	-179.6	0	0	0	0	0	113.1	P370 A374	P370-G372 PolarHBondContact O-N 3.2Å; G372-A374 PolarHBondContact O-N 2.86Å
373	P	84.9	Confident	73.2	Confident	62 Å²	62	56.1 Å²	56.1	40%	0.403	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-57.1	140.4	179.5	25.3	-34	0	0	0	111	V357 M375	V357-P373 HydrophobicContact CG1-CB 3.58Å; V357-P373 HydrophobicContact CG1-CG 4.18Å; P373-M375 PolarHBondContact O-N 2.74Å
374	A	88.8	Confident	74.9	Confident	24 Å²	24	49.6 Å²	49.6	20%	0.198	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	107.9	172.6	0	0	0	0	0	108.7	Y312 S358 V360 G372 L376	Y312-A374 HydrophobicContact CD1-CB 4.3Å; Y312-A374 HydrophobicContact CE1-CB 3.92Å; S358-A374 PolarHBondContact N-O 3.47Å; S358-A374 PolarHBondContact O-N 3.4Å; V360-A374 HydrophobicContact CG2-CB 3.58Å; G372-A374 PolarHBondContact O-N 2.86Å; A374-L376 HydrophobicContact CB-CD2 4.44Å
375	M	92.5	Very high	76.1	Confident	35 Å²	35	49.4 Å²	49.4	17%	0.172	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	126.3	172.8	-54.3	-64.6	-92.3	0	0	109.2	A318 H321 F336 L355 L356 V357 P373	A318-M375 HydrophobicContact CB-CE 3.52Å; H321-M375 HydrophobicContact CB-CE 4.12Å; F336-M375 HydrophobicContact CE1-CB 3.69Å; F336-M375 HydrophobicContact CE1-CG 4.4Å; F336-M375 HydrophobicContact CZ-CB 3.7Å; F336-M375 HydrophobicContact CZ-CG 4.01Å; L355-M375 HydrophobicContact CB-CE 4.33Å; L355-M375 HydrophobicContact CD1-CB 4.1Å; L355-M375 HydrophobicContact CD1-CE 4.43Å; L356-M375 CarbonylContact O-C 3.49Å; L356-M375 WeakPolarHBondContact O-CA 3.3Å; V357-M375 HydrophobicContact CB-SD 4.48Å; V357-M375 HydrophobicContact CG1-SD 4.32Å; V357-M375 HydrophobicContact CG2-CE 4.47Å; V357-M375 HydrophobicContact CG2-SD 4.03Å; P373-M375 PolarHBondContact O-N 2.74Å
376	L	94.8	Very high	77.6	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	141.7	-173.1	-50.8	170.9	0	0	0	110.9	V303 Y312 L356 A374 P378	V303-L376 HydrophobicContact CG2-CD1 4.34Å; Y312-L376 HydrophobicContact CD1-CD1 3.93Å; Y312-L376 HydrophobicContact CD1-CD2 4.43Å; Y312-L376 HydrophobicContact CD2-CD1 3.85Å; Y312-L376 HydrophobicContact CD2-CD2 4.37Å; Y312-L376 HydrophobicContact CE1-CD2 4.29Å; Y312-L376 HydrophobicContact CE2-CD2 4.24Å; Y312-L376 HydrophobicContact CG-CD1 3.52Å; Y312-L376 HydrophobicContact CG-CD2 4.47Å; L356-L376 HydrophobicContact CB-CB 4.3Å; L356-L376 PolarHBondContact N-O 3.41Å; L356-L376 PolarHBondContact O-N 2.98Å; A374-L376 HydrophobicContact CB-CD2 4.44Å; L376-P378 WeakPolarHBondContact O-CD 3.41Å
377	V	96.1	Very high	79.3	Confident	0 Å²	0	39 Å²	39	0%	0	28%	0.275	C	S	.	.			trans	-84.4	121.5	-179.4	178.9	0	0	0	0	109.4	P323 Y340 I348 Q353 L355 E379 L380 C381	P323-V377 HydrophobicContact CG-CG1 4.36Å; Y340-V377 HydrophobicContact CD2-CG2 3.9Å; Y340-V377 HydrophobicContact CE2-CG2 3.6Å; I348-V377 HydrophobicContact CD1-CB 4.46Å; I348-V377 HydrophobicContact CD1-CG1 4.06Å; I348-V377 HydrophobicContact CD1-CG2 3.8Å; I348-V377 HydrophobicContact CG1-CG1 4.47Å; I348-V377 HydrophobicContact CG2-CG1 4.12Å; Q353-V377 HydrophobicContact CG-CG1 4.36Å; Q353-V377 VanDerWaalsContact OE1-CG1 3.3Å; L355-V377 HydrophobicContact CD2-CG2 3.91Å; V377-E379 VanDerWaalsContact C-N 3.29Å; V377-E379 HydrophobicContact CG1-CB 4.03Å; V377-E379 PolarHBondContact O-N 3.42Å; V377-L380 HydrophobicContact CB-CB 4.48Å; V377-L380 HydrophobicContact CB-CD1 4.37Å; V377-L380 HydrophobicContact CB-CG 4.27Å; V377-L380 HydrophobicContact CG1-CG 4.26Å; V377-L380 PolarHBondContact O-N 3.14Å; V377-C381 PolarHBondContact O-N 2.9Å; V377-C381 PolarHBondContact O-SG 3.06Å
378	P	95.7	Very high	80.2	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-52.4	-38.2	-179.5	-29.9	33.8	0	0	0	115.5	V274 L275 M278 Q353 V354 L356 L376 L380 C381	V274-P378 HydrophobicContact CB-CB 3.99Å; V274-P378 HydrophobicContact CG1-CB 4.11Å; V274-P378 PolarHBondContact N-O 3.32Å; L275-P378 HydrophobicContact CB-CB 3.97Å; L275-P378 PolarHBondContact N-O 2.99Å; M278-P378 HydrophobicContact SD-CB 3.98Å; M278-P378 HydrophobicContact SD-CG 3.99Å; Q353-P378 VanDerWaalsContact OE1-CD 3.23Å; V354-P378 WeakPolarHBondContact O-CD 3.45Å; V354-P378 WeakPolarHBondContact O-CG 3.48Å; L356-P378 HydrophobicContact CD2-CG 4.18Å; L356-P378 HydrophobicContact CG-CG 4.03Å; L376-P378 WeakPolarHBondContact O-CD 3.41Å; P378-L380 VanDerWaalsContact C-N 3.26Å; P378-L380 PolarHBondContact O-N 3.16Å; P378-C381 PolarHBondContact O-N 3.17Å
379	E	95.1	Very high	81.3	Confident	25 Å²	25	43.6 Å²	43.6	12%	0.117	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-59	-33.9	176.1	-171.8	-179	138.4	0	0	112.8	T273 L275 I348 H349 D350 Q353 V377	T273-E379 WeakPolarHBondContact CG2-O 3.31Å; L275-E379 HydrophobicContact CB-CB 4.41Å; L275-E379 HydrophobicContact CD2-CB 3.93Å; L275-E379 HydrophobicContact CD2-CG 4.23Å; I348-E379 WeakPolarHBondContact CG2-OE2 3.49Å; H349-E379 IonicContact CE1-OE1 2.64Å; H349-E379 IonicContact CG-OE1 3.85Å; H349-E379 PolarHBondContact N-OE1 3.38Å; H349-E379 PolarHBondContact N-OE2 2.96Å; H349-E379 IonicContact ND1-OE1 3.55Å; H349-E379 PolarHBondContact ND1-OE1 3.16Å; D350-E379 PolarHBondContact N-OE2 3.18Å; D350-E379 VanDerWaalsContact N-OE2 3.13Å; Q353-E379 PolarHBondContact NE2-OE2 3.04Å; Q353-E379 VanDerWaalsContact OE1-CB 3.31Å; V377-E379 VanDerWaalsContact C-N 3.29Å; V377-E379 HydrophobicContact CG1-CB 4.03Å; V377-E379 PolarHBondContact O-N 3.42Å
380	L	92.8	Very high	82.7	Confident	19 Å²	19	39.4 Å²	39.4	10%	0.099	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-95.4	2.3	-178.3	-53	-176.3	0	0	0	113	Y307 Y340 L346 I348 V377 P378	Y307-L380 HydrophobicContact CD1-CB 4.09Å; Y307-L380 HydrophobicContact CE1-CB 3.75Å; Y307-L380 HydrophobicContact CE1-CD1 4.44Å; Y340-L380 HydrophobicContact CD1-CD1 3.59Å; Y340-L380 HydrophobicContact CD2-CD1 4.13Å; Y340-L380 HydrophobicContact CE1-CD1 4.06Å; Y340-L380 HydrophobicContact CG-CD1 3.67Å; L346-L380 HydrophobicContact CD1-CD1 4.41Å; L346-L380 HydrophobicContact CD1-CD2 4.38Å; I348-L380 HydrophobicContact CG1-CD1 4.42Å; V377-L380 HydrophobicContact CB-CB 4.48Å; V377-L380 HydrophobicContact CB-CD1 4.37Å; V377-L380 HydrophobicContact CB-CG 4.27Å; V377-L380 HydrophobicContact CG1-CG 4.26Å; V377-L380 PolarHBondContact O-N 3.14Å; P378-L380 VanDerWaalsContact C-N 3.26Å; P378-L380 PolarHBondContact O-N 3.16Å
381	C	92.1	Very high	83.8	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.224	C	C	.	.			trans	-109.1	130.1	-178.8	-68.3	0	0	0	0	111	T273 V274 V303 L356 V377 P378	T273-C381 CarbonylContact C-O 3.56Å; T273-C381 WeakPolarHBondContact CA-O 3.37Å; V274-C381 HydrophobicContact CB-CB 4.31Å; V274-C381 HydrophobicContact CG2-CB 3.69Å; V274-C381 PolarHBondContact N-O 3.05Å; V303-C381 HydrophobicContact CB-CB 4.16Å; V303-C381 HydrophobicContact CG1-CB 4.5Å; V303-C381 HydrophobicContact CG2-CB 4.36Å; L356-C381 HydrophobicContact CD1-CB 4.14Å; V377-C381 PolarHBondContact O-N 2.9Å; V377-C381 PolarHBondContact O-SG 3.06Å; P378-C381 PolarHBondContact O-N 3.17Å
382	Y	88.8	Confident	84.3	Confident	48 Å²	48	42.8 Å²	42.8	19%	0.188	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	140	176.9	-67.6	-92	0	0	0	111.4	S271 E272 T273 V303 L304 K306	S271-Y382 WeakPolarHBondContact O-CE1 3.25Å; E272-Y382 WeakPolarHBondContact O-CD1 3.33Å; T273-Y382 HydrophobicContact CG2-CD1 4.23Å; T273-Y382 HydrophobicContact CG2-CE1 3.61Å; T273-Y382 HydrophobicContact CG2-CE2 4.46Å; V303-Y382 CarbonylContact C-O 3.37Å; V303-Y382 VanDerWaalsContact CA-O 3.28Å; V303-Y382 WeakPolarHBondContact CA-O 3.31Å; L304-Y382 PolarHBondContact N-O 3Å; L304-Y382 PolarHBondContact O-N 3.45Å; K306-Y382 HydrophobicContact CB-CD2 4.43Å; K306-Y382 HydrophobicContact CB-CE2 4.29Å; K306-Y382 HydrophobicContact CD-CD2 3.7Å; K306-Y382 HydrophobicContact CD-CE2 3.37Å; K306-Y382 HydrophobicContact CD-CG 4.37Å; K306-Y382 VanDerWaalsContact CE-CD2 3.48Å; K306-Y382 VanDerWaalsContact CE-CZ 3.48Å; K306-Y382 HydrophobicContact CG-CD2 3.62Å; K306-Y382 HydrophobicContact CG-CE2 3.72Å; K306-Y382 HydrophobicContact CG-CG 4.44Å; K306-Y382 PolarHBondContact NZ-OH 2.95Å
383	L	85.2	Confident	84.9	Confident	3 Å²	3	43.3 Å²	43.3	2%	0.016	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	131.7	-177.3	-68.7	156.5	0	0	0	110.7	R270 E272 V274 L277 L298 V303	R270-L383 HydrophobicContact CB-CB 4.28Å; R270-L383 VanDerWaalsContact CB-O 3.31Å; R270-L383 WeakPolarHBondContact CB-O 3.37Å; R270-L383 PolarHBondContact N-O 3.41Å; E272-L383 HydrophobicContact CG-CD1 4.43Å; V274-L383 HydrophobicContact CG2-CD2 4.03Å; V274-L383 HydrophobicContact CG2-CG 4Å; L277-L383 HydrophobicContact CB-CD1 3.88Å; L277-L383 HydrophobicContact CD2-CD1 3.52Å; L277-L383 HydrophobicContact CG-CD1 4.33Å; L298-L383 HydrophobicContact CD2-CD2 3.94Å; V303-L383 HydrophobicContact CG1-CD2 4.2Å
384	T	79.9	Confident	84.8	Confident	26 Å²	26	48.1 Å²	48.1	16%	0.16	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	143.7	-174.7	75.6	0	0	0	0	113.7	L269 I302 L304	L269-T384 HydrophobicContact CD2-CG2 4.23Å; I302-T384 WeakPolarHBondContact O-CB 3.46Å; I302-T384 WeakPolarHBondContact O-CG2 3.44Å; I302-T384 PolarHBondContact O-N 2.69Å; I302-T384 VanDerWaalsContact O-N 3.13Å; I302-T384 PolarHBondContact O-OG1 3.23Å; L304-T384 HydrophobicContact CB-CG2 3.44Å; L304-T384 VanDerWaalsContact CB-CG2 3.44Å
385	G	74.4	Confident	84.8	Confident	27 Å²	27	51 Å²	51	28%	0.278	26%	0.255	S	S	.	.	S	Bend	trans	71.7	-173.2	-179	0	0	0	0	0	113.8	V268 R270	V268-G385 PolarHBondContact O-N 3Å; R270-G385 WeakPolarHBondContact CD-O 3.1Å
386	L	79.4	Confident	84.5	Confident	30 Å²	30	50.2 Å²	50.2	16%	0.157	25%	0.251	C	S	.	.			trans	-101.5	136.8	-177.2	-57.8	170.6	0	0	0	109.8	L241 V268 M390 R391 M397 L400	L241-L386 HydrophobicContact CD1-CD2 3.84Å; L241-L386 HydrophobicContact CD2-CD2 4.02Å; V268-L386 HydrophobicContact CG1-CD2 3.94Å; V268-L386 HydrophobicContact CG1-CG 4.45Å; L386-M390 HydrophobicContact CB-CB 4.3Å; L386-M390 HydrophobicContact CD2-CB 4.44Å; L386-M390 HydrophobicContact CD2-CE 4.41Å; L386-M390 HydrophobicContact CD2-SD 4.43Å; L386-R391 HydrophobicContact CB-CG 3.82Å; L386-R391 HydrophobicContact CD1-CG 4.45Å; L386-R391 PolarHBondContact O-NE 2.93Å; L386-R391 PolarHBondContact O-NH2 3.2Å; L386-M397 HydrophobicContact CD1-SD 3.71Å; L386-L400 HydrophobicContact CD1-CD1 3.63Å; L386-L400 HydrophobicContact CD2-CD1 3.68Å; L386-L400 HydrophobicContact CG-CD1 4.28Å
387	T	77.3	Confident	84.2	Confident	27 Å²	27	52.8 Å²	52.8	17%	0.166	26%	0.264	C	S	.	.			trans	-70.4	160	168.9	67.2	0	0	0	0	110.6	K389 M390 R391	T387-K389 PolarHBondContact O-N 3.43Å; T387-M390 HydrophobicContact CG2-SD 4.23Å; T387-M390 PolarHBondContact O-N 2.74Å; T387-M390 VanDerWaalsContact O-N 3.07Å; T387-M390 VanDerWaalsContact OG1-CG 3.3Å; T387-M390 WeakPolarHBondContact OG1-CG 3.24Å; T387-M390 PolarHBondContact OG1-N 3.06Å; T387-R391 WeakPolarHBondContact O-CG 3.4Å; T387-R391 PolarHBondContact O-N 2.99Å
388	D	70.6	Confident	83.7	Confident	98 Å²	98	59 Å²	59	52%	0.524	29%	0.291	S	S	.	.	H	α-helix	trans	-65.7	-22.9	175.2	-73.1	-62.8	0	0	0	113.1	R391 N392	D388-R391 VanDerWaalsContact CG-NH1 3.25Å; D388-R391 VanDerWaalsContact OD1-CD 3.32Å; D388-R391 WeakPolarHBondContact OD1-CD 3.42Å; D388-R391 IonicContact OD1-CZ 2.7Å; D388-R391 IonicContact OD1-NE 3.87Å; D388-R391 IonicContact OD1-NH1 3.01Å; D388-R391 PolarHBondContact OD1-NH1 3.34Å; D388-R391 IonicContact OD2-CZ 2.98Å; D388-R391 IonicContact OD2-NH1 3.56Å; D388-R391 PolarHBondContact OD2-NH1 3.16Å; D388-N392 WeakPolarHBondContact O-CB 3.45Å; D388-N392 PolarHBondContact O-N 3.04Å; D388-N392 PolarHBondContact O-ND2 3.31Å
389	K	75.9	Confident	83.3	Confident	137 Å²	137	61.7 Å²	61.7	60%	0.596	30%	0.303	S	S	*	.	H	α-helix	trans	-59.5	-53.6	166.9	-62.1	165.5	-173.7	160.1	0	109.7	E297 T387 R391 N392 D393	E297-K389 VanDerWaalsContact CD-NZ 3.26Å; E297-K389 IonicContact OE1-NZ 2.68Å; E297-K389 PolarHBondContact OE1-NZ 3.5Å; E297-K389 IonicContact OE2-NZ 3.85Å; E297-K389 PolarHBondContact OE2-NZ 3.25Å; T387-K389 PolarHBondContact O-N 3.43Å; K389-R391 PolarHBondContact O-N 3.12Å; K389-N392 PolarHBondContact O-N 3.3Å; K389-D393 PolarHBondContact O-N 3.29Å
390	M	80.8	Confident	82.9	Confident	22 Å²	22	60.7 Å²	60.7	11%	0.108	30%	0.299	C	S	.	.	H	α-helix	trans	-65.4	-34.9	178.8	-62.9	165.8	103.3	0	0	113.7	L241 R270 L386 T387 N392 D393 I396	L241-M390 HydrophobicContact CD1-CE 4.04Å; L241-M390 HydrophobicContact CD2-CE 3.72Å; L241-M390 HydrophobicContact CG-CE 3.95Å; R270-M390 HydrophobicContact CG-CE 4.48Å; L386-M390 HydrophobicContact CB-CB 4.3Å; L386-M390 HydrophobicContact CD2-CB 4.44Å; L386-M390 HydrophobicContact CD2-CE 4.41Å; L386-M390 HydrophobicContact CD2-SD 4.43Å; T387-M390 HydrophobicContact CG2-SD 4.23Å; T387-M390 PolarHBondContact O-N 2.74Å; T387-M390 VanDerWaalsContact O-N 3.07Å; T387-M390 VanDerWaalsContact OG1-CG 3.3Å; T387-M390 WeakPolarHBondContact OG1-CG 3.24Å; T387-M390 PolarHBondContact OG1-N 3.06Å; M390-N392 VanDerWaalsContact C-N 3.29Å; M390-N392 PolarHBondContact O-N 3.33Å; M390-D393 PolarHBondContact O-N 3.11Å; M390-I396 HydrophobicContact CB-CD1 4.24Å; M390-I396 HydrophobicContact CB-CG2 4.49Å; M390-I396 HydrophobicContact CG-CD1 4.12Å
391	R	79.9	Confident	82.6	Confident	131 Å²	131	60.7 Å²	60.7	49%	0.494	30%	0.301	S	S	.	.	H	α-helix	trans	-69.5	-24.7	177.5	-65.4	170.5	-155.8	164.2	0.6	113.3	L386 T387 D388 K389 M397	L386-R391 HydrophobicContact CB-CG 3.82Å; L386-R391 HydrophobicContact CD1-CG 4.45Å; L386-R391 PolarHBondContact O-NE 2.93Å; L386-R391 PolarHBondContact O-NH2 3.2Å; T387-R391 WeakPolarHBondContact O-CG 3.4Å; T387-R391 PolarHBondContact O-N 2.99Å; D388-R391 VanDerWaalsContact CG-NH1 3.25Å; D388-R391 VanDerWaalsContact OD1-CD 3.32Å; D388-R391 WeakPolarHBondContact OD1-CD 3.42Å; D388-R391 IonicContact OD1-CZ 2.7Å; D388-R391 IonicContact OD1-NE 3.87Å; D388-R391 IonicContact OD1-NH1 3.01Å; D388-R391 PolarHBondContact OD1-NH1 3.34Å; D388-R391 IonicContact OD2-CZ 2.98Å; D388-R391 IonicContact OD2-NH1 3.56Å; D388-R391 PolarHBondContact OD2-NH1 3.16Å; K389-R391 PolarHBondContact O-N 3.12Å; R391-M397 WeakPolarHBondContact O-CG 3.3Å
392	N	75.6	Confident	82.3	Confident	126 Å²	126	65 Å²	65	67%	0.674	33%	0.327	S	S	*	.	H	α-helix	trans	-90.6	-17.3	176.6	-76.1	-62.8	0	0	0	112.8	D388 K389 M390 F394	D388-N392 WeakPolarHBondContact O-CB 3.45Å; D388-N392 PolarHBondContact O-N 3.04Å; D388-N392 PolarHBondContact O-ND2 3.31Å; K389-N392 PolarHBondContact O-N 3.3Å; M390-N392 VanDerWaalsContact C-N 3.29Å; M390-N392 PolarHBondContact O-N 3.33Å; N392-F394 PolarHBondContact O-N 3.28Å
393	D	83	Confident	82.1	Confident	65 Å²	65	65.8 Å²	65.8	35%	0.348	33%	0.332	S	S	.	.			trans	-69.4	124.6	171.1	-167.9	-65.4	0	0	0	110.9	K389 M390 T395 I396 M397	K389-D393 PolarHBondContact O-N 3.29Å; M390-D393 PolarHBondContact O-N 3.11Å; D393-T395 WeakPolarHBondContact OD1-CA 3.21Å; D393-T395 VanDerWaalsContact OD1-CB 3.3Å; D393-T395 WeakPolarHBondContact OD1-CB 3.24Å; D393-T395 PolarHBondContact OD1-N 3.23Å; D393-I396 HydrophobicContact CB-CB 4.12Å; D393-I396 HydrophobicContact CB-CD1 3.8Å; D393-I396 HydrophobicContact CB-CG1 3.94Å; D393-I396 PolarHBondContact OD1-N 2.73Å; D393-M397 VanDerWaalsContact O-CB 3.29Å; D393-M397 WeakPolarHBondContact O-CB 3.47Å; D393-M397 VanDerWaalsContact O-CG 3.27Å; D393-M397 WeakPolarHBondContact O-CG 3.46Å; D393-M397 PolarHBondContact O-N 3.02Å
394	F	82.8	Confident	82.2	Confident	164 Å²	164	67.7 Å²	67.7	72%	0.719	34%	0.344	S	S	*	.	H	α-helix	trans	-78.2	-28.2	-177.7	-178.6	-99	0	0	0	113.1	N392 K398	N392-F394 PolarHBondContact O-N 3.28Å; F394-K398 WeakPolarHBondContact O-CB 3.28Å; F394-K398 PolarHBondContact O-N 2.79Å
395	T	87.8	Confident	82.6	Confident	84 Å²	84	72.6 Å²	72.6	52%	0.515	36%	0.36	S	S	.	.	H	α-helix	trans	-71.5	-53.9	178.8	-52.6	0	0	0	0	109.3	D393 M397 K398 E399	D393-T395 WeakPolarHBondContact OD1-CA 3.21Å; D393-T395 VanDerWaalsContact OD1-CB 3.3Å; D393-T395 WeakPolarHBondContact OD1-CB 3.24Å; D393-T395 PolarHBondContact OD1-N 3.23Å; T395-M397 VanDerWaalsContact C-N 3.32Å; T395-M397 PolarHBondContact O-N 3.02Å; T395-K398 WeakPolarHBondContact O-CB 3.09Å; T395-K398 PolarHBondContact O-N 2.83Å; T395-E399 PolarHBondContact O-N 2.93Å
396	I	86.8	Confident	83.4	Confident	18 Å²	18	71.8 Å²	71.8	9%	0.092	35%	0.349	C	S	.	.	H	α-helix	trans	-55.9	-47.9	177.1	-57	177.2	0	0	0	110.2	H239 L241 M390 D393 K398 E399 L400	H239-I396 HydrophobicContact CB-CG1 4.41Å; L241-I396 HydrophobicContact CD1-CG2 3.89Å; M390-I396 HydrophobicContact CB-CD1 4.24Å; M390-I396 HydrophobicContact CB-CG2 4.49Å; M390-I396 HydrophobicContact CG-CD1 4.12Å; D393-I396 HydrophobicContact CB-CB 4.12Å; D393-I396 HydrophobicContact CB-CD1 3.8Å; D393-I396 HydrophobicContact CB-CG1 3.94Å; D393-I396 PolarHBondContact OD1-N 2.73Å; I396-K398 VanDerWaalsContact C-N 3.33Å; I396-K398 PolarHBondContact O-N 2.8Å; I396-E399 PolarHBondContact O-N 3.43Å; I396-L400 HydrophobicContact CG2-CD1 3.79Å; I396-L400 HydrophobicContact CG2-CG 4.46Å; I396-L400 WeakPolarHBondContact O-CB 3.29Å; I396-L400 VanDerWaalsContact O-CG 3.31Å; I396-L400 WeakPolarHBondContact O-CG 3.39Å; I396-L400 PolarHBondContact O-N 2.84Å
397	M	87.3	Confident	84.1	Confident	58 Å²	58	73.6 Å²	73.6	29%	0.286	36%	0.359	S	S	.	.	H	α-helix	trans	-72.8	-19.5	180	-71	-57.9	-47.1	0	0	114.6	L386 R391 D393 T395 L400 S401	L386-M397 HydrophobicContact CD1-SD 3.71Å; R391-M397 WeakPolarHBondContact O-CG 3.3Å; D393-M397 VanDerWaalsContact O-CB 3.29Å; D393-M397 WeakPolarHBondContact O-CB 3.47Å; D393-M397 VanDerWaalsContact O-CG 3.27Å; D393-M397 WeakPolarHBondContact O-CG 3.46Å; D393-M397 PolarHBondContact O-N 3.02Å; T395-M397 VanDerWaalsContact C-N 3.32Å; T395-M397 PolarHBondContact O-N 3.02Å; M397-L400 HydrophobicContact SD-CD1 4.15Å; M397-S401 WeakPolarHBondContact O-CB 3.34Å; M397-S401 PolarHBondContact O-N 2.86Å; M397-S401 PolarHBondContact O-OG 2.79Å
398	K	87.3	Confident	84.9	Confident	132 Å²	132	72.6 Å²	72.6	57%	0.574	35%	0.353	S	S	*	.	H	α-helix	trans	-75.9	-50.3	172.2	177.9	-164.2	171.6	-154.4	0	109.9	F394 T395 I396 S401 T402	F394-K398 WeakPolarHBondContact O-CB 3.28Å; F394-K398 PolarHBondContact O-N 2.79Å; T395-K398 WeakPolarHBondContact O-CB 3.09Å; T395-K398 PolarHBondContact O-N 2.83Å; I396-K398 VanDerWaalsContact C-N 3.33Å; I396-K398 PolarHBondContact O-N 2.8Å; K398-S401 WeakPolarHBondContact O-CA 3.32Å; K398-S401 WeakPolarHBondContact O-CB 3.38Å; K398-S401 PolarHBondContact O-N 3.3Å; K398-S401 PolarHBondContact O-OG 3.22Å; K398-T402 PolarHBondContact O-N 3.09Å
399	E	86.3	Confident	86.1	Confident	55 Å²	55	70.1 Å²	70.1	26%	0.257	34%	0.339	S	S	.	.	H	α-helix	trans	-65.9	-44.8	-179.6	-167.3	174.8	-155.6	0	0	111.5	I236 H239 T395 I396 S401 T402 H403	I236-E399 HydrophobicContact CD1-CG 4.12Å; I236-E399 HydrophobicContact CG1-CG 4.43Å; I236-E399 HydrophobicContact CG2-CG 4.16Å; I236-E399 WeakPolarHBondContact CG2-OE2 3.49Å; H239-E399 IonicContact CD2-OE2 2.75Å; H239-E399 PolarHBondContact CD2-OE2 3.31Å; H239-E399 IonicContact NE2-OE2 2.7Å; T395-E399 PolarHBondContact O-N 2.93Å; I396-E399 PolarHBondContact O-N 3.43Å; E399-S401 PolarHBondContact O-N 2.61Å; E399-T402 PolarHBondContact O-N 3Å; E399-T402 VanDerWaalsContact O-N 3.12Å; E399-T402 PolarHBondContact O-OG1 3.04Å; E399-H403 PolarHBondContact O-CD2 3.37Å
400	L	87.1	Confident	86.9	Confident	4 Å²	4	67 Å²	67	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-55.3	-29.5	169.8	-76.7	168.8	0	0	0	113	I236 L241 I243 V268 L386 I396 M397 T404	I236-L400 HydrophobicContact CD1-CD2 3.87Å; I236-L400 HydrophobicContact CD1-CG 4.29Å; L241-L400 HydrophobicContact CD1-CD1 3.84Å; L241-L400 HydrophobicContact CD1-CD2 3.95Å; L241-L400 HydrophobicContact CD1-CG 4.08Å; I243-L400 HydrophobicContact CD1-CD2 4.03Å; I243-L400 HydrophobicContact CG1-CD2 4.33Å; V268-L400 HydrophobicContact CG1-CD2 3.94Å; V268-L400 HydrophobicContact CG2-CD2 4.05Å; L386-L400 HydrophobicContact CD1-CD1 3.63Å; L386-L400 HydrophobicContact CD2-CD1 3.68Å; L386-L400 HydrophobicContact CG-CD1 4.28Å; I396-L400 HydrophobicContact CG2-CD1 3.79Å; I396-L400 HydrophobicContact CG2-CG 4.46Å; I396-L400 WeakPolarHBondContact O-CB 3.29Å; I396-L400 VanDerWaalsContact O-CG 3.31Å; I396-L400 WeakPolarHBondContact O-CG 3.39Å; I396-L400 PolarHBondContact O-N 2.84Å; M397-L400 HydrophobicContact SD-CD1 4.15Å; L400-T404 WeakPolarHBondContact O-CB 3.46Å; L400-T404 VanDerWaalsContact O-CG2 3.32Å; L400-T404 WeakPolarHBondContact O-CG2 3.47Å; L400-T404 PolarHBondContact O-N 2.98Å; L400-T404 VanDerWaalsContact O-N 3.07Å; L400-T404 PolarHBondContact O-OG1 2.82Å
401	S	85.5	Confident	87.6	Confident	20 Å²	20	67 Å²	67	14%	0.14	33%	0.326	C	S	.	.	H	α-helix	trans	-78.1	-23.8	-179	78.2	0	0	0	0	114.6	M397 K398 E399 H403 R405	M397-S401 WeakPolarHBondContact O-CB 3.34Å; M397-S401 PolarHBondContact O-N 2.86Å; M397-S401 PolarHBondContact O-OG 2.79Å; K398-S401 WeakPolarHBondContact O-CA 3.32Å; K398-S401 WeakPolarHBondContact O-CB 3.38Å; K398-S401 PolarHBondContact O-N 3.3Å; K398-S401 PolarHBondContact O-OG 3.22Å; E399-S401 PolarHBondContact O-N 2.61Å; S401-H403 VanDerWaalsContact C-N 3.28Å; S401-H403 PolarHBondContact O-N 3.43Å; S401-R405 VanDerWaalsContact O-CB 3.28Å; S401-R405 WeakPolarHBondContact O-CB 3.41Å; S401-R405 PolarHBondContact O-N 2.87Å
402	T	86.2	Confident	88.4	Confident	90 Å²	90	61.8 Å²	61.8	55%	0.552	31%	0.307	S	S	*	.	H	α-helix	trans	-67.7	-31.7	176.1	49.3	0	0	0	0	111.9	K398 E399	K398-T402 PolarHBondContact O-N 3.09Å; E399-T402 PolarHBondContact O-N 3Å; E399-T402 VanDerWaalsContact O-N 3.12Å; E399-T402 PolarHBondContact O-OG1 3.04Å
403	H	84.3	Confident	89.3	Confident	64 Å²	64	62.6 Å²	62.6	30%	0.296	30%	0.3	S	S	.	.	H	α-helix	trans	-91.3	-38.5	178.4	-58	-79.7	0	0	0	112.3	H234 I243 E399 S401	H234-H403 AromaticContact CD2-CE1 3.75Å; H234-H403 AromaticContact CD2-CG 3.78Å; H234-H403 AromaticContact CD2-ND1 3.54Å; H234-H403 AromaticContact CE1-CE1 3.69Å; H234-H403 AromaticContact CE1-ND1 3.97Å; H234-H403 AromaticContact NE2-CD2 3.96Å; H234-H403 AromaticContact NE2-CE1 3.11Å; H234-H403 PolarHBondContact NE2-CE1 2.7Å; H234-H403 AromaticContact NE2-CG 3.93Å; H234-H403 AromaticContact NE2-ND1 3.4Å; H234-H403 PolarHBondContact NE2-ND1 2.79Å; H234-H403 AromaticContact NE2-NE2 3.54Å; I243-H403 HydrophobicContact CD1-CB 3.76Å; E399-H403 PolarHBondContact O-CD2 3.37Å; S401-H403 VanDerWaalsContact C-N 3.28Å; S401-H403 PolarHBondContact O-N 3.43Å
404	T	87.2	Confident	89.8	Confident	43 Å²	43	61.8 Å²	61.8	26%	0.264	30%	0.295	S	S	.	.	H	α-helix	trans	-88.1	-20.1	-174.3	62	0	0	0	0	115.4	I243 H266 L400 L406	I243-T404 HydrophobicContact CD1-CG2 4.38Å; H266-T404 HydrophobicContact CB-CG2 3.85Å; L400-T404 WeakPolarHBondContact O-CB 3.46Å; L400-T404 VanDerWaalsContact O-CG2 3.32Å; L400-T404 WeakPolarHBondContact O-CG2 3.47Å; L400-T404 PolarHBondContact O-N 2.98Å; L400-T404 VanDerWaalsContact O-N 3.07Å; L400-T404 PolarHBondContact O-OG1 2.82Å; T404-L406 PolarHBondContact O-N 3.43Å
405	R	89.3	Confident	90.5	Very high	130 Å²	130	54 Å²	54	49%	0.491	26%	0.26	S	S	.	.			trans	-100.2	66	-179.6	-59.7	-170.7	-169.8	147	9.1	112.8	S401 N407	S401-R405 VanDerWaalsContact O-CB 3.28Å; S401-R405 WeakPolarHBondContact O-CB 3.41Å; S401-R405 PolarHBondContact O-N 2.87Å; R405-N407 PolarHBondContact O-N 3.35Å
406	L	91.7	Very high	90.8	Very high	10 Å²	10	52 Å²	52	5%	0.052	25%	0.247	C	C	.	.			trans	-58.2	129.6	173.9	-53.3	-177.3	0	0	0	111.3	V264 T404 Q410 R411 Q414 G781 S782	V264-L406 HydrophobicContact CB-CD1 4.19Å; V264-L406 HydrophobicContact CG1-CD1 3.76Å; V264-L406 HydrophobicContact CG2-CD1 4.23Å; T404-L406 PolarHBondContact O-N 3.43Å; L406-Q410 HydrophobicContact CB-CB 4.05Å; L406-Q410 HydrophobicContact CD2-CB 4.28Å; L406-R411 HydrophobicContact CB-CB 4.23Å; L406-Q414 HydrophobicContact CD1-CG 4.45Å; L406-Q414 VanDerWaalsContact CD1-OE1 3.27Å; L406-G781 CarbonylContact O-C 3.59Å; L406-G781 VanDerWaalsContact O-CA 3.3Å; L406-G781 WeakPolarHBondContact O-CA 3.28Å; L406-S782 PolarHBondContact O-N 2.87Å; L406-S782 PolarHBondContact O-OG 3.43Å; L406-S782 VanDerWaalsContact O-OG 3.05Å
407	N	93.5	Very high	91.2	Very high	68 Å²	68	59.1 Å²	59.1	36%	0.364	27%	0.273	S	S	.	.			trans	-67.8	163.2	165.8	-64.5	-42.2	0	0	0	110.3	R405 D409 Q410 R411 G781	R405-N407 PolarHBondContact O-N 3.35Å; N407-D409 PolarHBondContact O-N 2.88Å; N407-Q410 PolarHBondContact ND2-OE1 2.76Å; N407-Q410 PolarHBondContact O-N 2.75Å; N407-R411 PolarHBondContact O-N 3.49Å; N407-G781 WeakPolarHBondContact OD1-CA 3.48Å; N407-G781 PolarHBondContact OD1-N 3.44Å
408	P	95	Very high	91.5	Very high	6 Å²	6	56.5 Å²	56.5	4%	0.039	26%	0.259	C	S	.	.	H	α-helix	trans	-47.1	-58.2	-178.3	-33.2	39.9	0	0	0	114.7	Q410 R411 E412 F743 F750 N752	P408-Q410 VanDerWaalsContact C-N 3.3Å; P408-Q410 PolarHBondContact O-N 2.91Å; P408-R411 WeakPolarHBondContact O-CB 3.32Å; P408-R411 PolarHBondContact O-N 2.99Å; P408-E412 WeakPolarHBondContact O-CB 3.25Å; P408-E412 PolarHBondContact O-N 2.95Å; P408-F743 HydrophobicContact CB-CD1 3.79Å; P408-F743 HydrophobicContact CB-CE1 4.38Å; P408-F743 HydrophobicContact CG-CD1 4.48Å; P408-F750 HydrophobicContact CB-CB 4.22Å; P408-N752 HydrophobicContact CG-CB 4.47Å; P408-N752 WeakPolarHBondContact CG-OD1 3.47Å
409	D	94.2	Very high	91.9	Very high	45 Å²	45	50.3 Å²	50.3	24%	0.241	23%	0.233	C	C	.	.	H	α-helix	trans	-53.4	-39.1	175	150.1	88.8	0	0	0	114.1	N407 R413 F750	N407-D409 PolarHBondContact O-N 2.88Å; D409-R413 WeakPolarHBondContact O-CB 3.47Å; D409-R413 WeakPolarHBondContact O-CG 3.43Å; D409-R413 PolarHBondContact O-N 3Å; D409-R413 PolarHBondContact O-NE 3.24Å; D409-R413 IonicContact OD1-CZ 2.69Å; D409-R413 IonicContact OD1-NE 3.68Å; D409-R413 PolarHBondContact OD1-NE 3.28Å; D409-R413 IonicContact OD1-NH2 3.34Å; D409-R413 PolarHBondContact OD1-NH2 3.38Å; D409-R413 IonicContact OD2-CZ 3.12Å; D409-R413 IonicContact OD2-NE 3.81Å; D409-R413 PolarHBondContact OD2-NE 3.09Å; D409-R413 IonicContact OD2-NH2 2.83Å; D409-R413 PolarHBondContact OD2-NH2 3.39Å; D409-F750 HydrophobicContact CB-CB 4.22Å
410	Q	94.4	Very high	92.3	Very high	73 Å²	73	50.5 Å²	50.5	34%	0.341	24%	0.238	S	C	.	.	H	α-helix	trans	-72.4	-32.5	178.3	-64.7	173.4	-53.8	0	0	112.2	L406 N407 P408 Q414	L406-Q410 HydrophobicContact CB-CB 4.05Å; L406-Q410 HydrophobicContact CD2-CB 4.28Å; N407-Q410 PolarHBondContact ND2-OE1 2.76Å; N407-Q410 PolarHBondContact O-N 2.75Å; P408-Q410 VanDerWaalsContact C-N 3.3Å; P408-Q410 PolarHBondContact O-N 2.91Å; Q410-Q414 WeakPolarHBondContact O-CG 3.49Å; Q410-Q414 PolarHBondContact O-N 2.89Å
411	R	95.1	Very high	92.6	Very high	21 Å²	21	52.7 Å²	52.7	8%	0.079	25%	0.253	C	S	.	.	H	α-helix	trans	-73	-45.9	176.2	-174.4	176	-59.6	-83.2	-18.6	110.5	D263 V264 L406 N407 P408 R413 Q414 L415 F743 S782	D263-R411 WeakPolarHBondContact OD1-CD 3.09Å; D263-R411 IonicContact OD1-CZ 3.09Å; D263-R411 IonicContact OD1-NE 3.64Å; D263-R411 IonicContact OD1-NH1 3.55Å; D263-R411 PolarHBondContact OD1-NH1 2.99Å; D263-R411 IonicContact OD2-NH1 3.71Å; D263-R411 PolarHBondContact OD2-NH1 3.41Å; V264-R411 HydrophobicContact CB-CG 4.48Å; V264-R411 HydrophobicContact CG2-CG 3.89Å; V264-R411 PolarHBondContact O-NH1 3.27Å; L406-R411 HydrophobicContact CB-CB 4.23Å; N407-R411 PolarHBondContact O-N 3.49Å; P408-R411 WeakPolarHBondContact O-CB 3.32Å; P408-R411 PolarHBondContact O-N 2.99Å; R411-R413 PolarHBondContact O-N 2.95Å; R411-Q414 PolarHBondContact O-N 2.85Å; R411-Q414 VanDerWaalsContact O-N 3.17Å; R411-L415 HydrophobicContact CG-CD1 4.25Å; R411-L415 WeakPolarHBondContact O-CG 3.16Å; R411-L415 PolarHBondContact O-N 3.22Å; R411-F743 HydrophobicContact CB-CZ 4.48Å; R411-F743 HydrophobicContact CG-CZ 4.18Å; R411-S782 PolarHBondContact NE-OG 3.19Å
412	E	95.2	Very high	92.9	Very high	22 Å²	22	51.7 Å²	51.7	10%	0.103	25%	0.247	C	C	.	.	H	α-helix	trans	-54.2	-52.6	175.8	-164.9	-82.1	174.9	0	0	110.7	P408 Q414 L415 N416 L443 F750	P408-E412 WeakPolarHBondContact O-CB 3.25Å; P408-E412 PolarHBondContact O-N 2.95Å; E412-Q414 PolarHBondContact O-N 3.41Å; E412-Q414 VanDerWaalsContact O-N 3.17Å; E412-L415 WeakPolarHBondContact O-CB 3.43Å; E412-L415 PolarHBondContact O-N 3.35Å; E412-N416 PolarHBondContact O-N 3.01Å; E412-N416 PolarHBondContact OE1-ND2 3Å; E412-N416 PolarHBondContact OE2-ND2 3.32Å; E412-L443 HydrophobicContact CG-CD1 3.83Å; E412-F750 HydrophobicContact CB-CD2 4.06Å; E412-F750 HydrophobicContact CB-CE2 4.42Å; E412-F750 HydrophobicContact CB-CG 4.37Å; E412-F750 HydrophobicContact CG-CD1 4.41Å; E412-F750 HydrophobicContact CG-CD2 3.6Å; E412-F750 HydrophobicContact CG-CE1 4.31Å; E412-F750 HydrophobicContact CG-CE2 3.49Å; E412-F750 VanDerWaalsContact CG-CE2 3.49Å; E412-F750 HydrophobicContact CG-CG 4.06Å; E412-F750 HydrophobicContact CG-CZ 3.85Å; E412-F750 VanDerWaalsContact OE1-CE2 3.24Å; E412-F750 WeakPolarHBondContact OE1-CE2 3.44Å
413	R	94.8	Very high	93.3	Very high	142 Å²	142	49.6 Å²	49.6	54%	0.536	23%	0.23	S	C	.	.	H	α-helix	trans	-62.6	-27	179.2	-70.8	-172.3	-75	147.8	-5	114	D409 R411 R417	D409-R413 WeakPolarHBondContact O-CB 3.47Å; D409-R413 WeakPolarHBondContact O-CG 3.43Å; D409-R413 PolarHBondContact O-N 3Å; D409-R413 PolarHBondContact O-NE 3.24Å; D409-R413 IonicContact OD1-CZ 2.69Å; D409-R413 IonicContact OD1-NE 3.68Å; D409-R413 PolarHBondContact OD1-NE 3.28Å; D409-R413 IonicContact OD1-NH2 3.34Å; D409-R413 PolarHBondContact OD1-NH2 3.38Å; D409-R413 IonicContact OD2-CZ 3.12Å; D409-R413 IonicContact OD2-NE 3.81Å; D409-R413 PolarHBondContact OD2-NE 3.09Å; D409-R413 IonicContact OD2-NH2 2.83Å; D409-R413 PolarHBondContact OD2-NH2 3.39Å; R411-R413 PolarHBondContact O-N 2.95Å; R413-R417 WeakPolarHBondContact O-CB 3.37Å; R413-R417 PolarHBondContact O-N 3.4Å; R413-R417 VanDerWaalsContact O-N 3.1Å
414	Q	94.7	Very high	93.7	Very high	48 Å²	48	55 Å²	55	22%	0.224	25%	0.253	C	S	.	.	H	α-helix	trans	-78	-34.9	172	-74.8	-169.4	8.7	0	0	113	V264 L406 Q410 R411 E412 R417 F418	V264-Q414 HydrophobicContact CG2-CB 3.87Å; L406-Q414 HydrophobicContact CD1-CG 4.45Å; L406-Q414 VanDerWaalsContact CD1-OE1 3.27Å; Q410-Q414 WeakPolarHBondContact O-CG 3.49Å; Q410-Q414 PolarHBondContact O-N 2.89Å; R411-Q414 PolarHBondContact O-N 2.85Å; R411-Q414 VanDerWaalsContact O-N 3.17Å; E412-Q414 PolarHBondContact O-N 3.41Å; E412-Q414 VanDerWaalsContact O-N 3.17Å; Q414-R417 PolarHBondContact O-N 2.82Å; Q414-F418 PolarHBondContact O-N 3.17Å
415	L	96.1	Very high	94.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.7	-44	173.5	-65	169.2	0	0	0	111.1	N112 F114 T262 V264 R411 E412 R417 F418 I419 L443 F743	N112-L415 HydrophobicContact CB-CD1 3.59Å; F114-L415 HydrophobicContact CZ-CB 4.31Å; T262-L415 HydrophobicContact CG2-CD2 3.66Å; T262-L415 WeakPolarHBondContact O-CD2 3.49Å; V264-L415 HydrophobicContact CG2-CD2 4.26Å; V264-L415 HydrophobicContact CG2-CG 4.38Å; R411-L415 HydrophobicContact CG-CD1 4.25Å; R411-L415 WeakPolarHBondContact O-CG 3.16Å; R411-L415 PolarHBondContact O-N 3.22Å; E412-L415 WeakPolarHBondContact O-CB 3.43Å; E412-L415 PolarHBondContact O-N 3.35Å; L415-R417 PolarHBondContact O-N 2.74Å; L415-F418 WeakPolarHBondContact O-CB 3.37Å; L415-F418 PolarHBondContact O-N 3.42Å; L415-F418 VanDerWaalsContact O-N 3.16Å; L415-I419 PolarHBondContact O-N 2.82Å; L415-L443 HydrophobicContact CB-CD1 4.4Å; L415-L443 HydrophobicContact CB-CD2 4.31Å; L415-L443 HydrophobicContact CD1-CD1 4.27Å; L415-L443 HydrophobicContact CD1-CD2 4.4Å; L415-F743 HydrophobicContact CD1-CE2 4.31Å; L415-F743 HydrophobicContact CD1-CZ 4.45Å
416	N	95.2	Very high	94.4	Very high	44 Å²	44	52.4 Å²	52.4	24%	0.235	26%	0.258	C	S	.	.	H	α-helix	trans	-65.8	-37.7	175.1	-68.9	-9.9	0	0	0	111.8	E412 F418 T420	E412-N416 PolarHBondContact O-N 3.01Å; E412-N416 PolarHBondContact OE1-ND2 3Å; E412-N416 PolarHBondContact OE2-ND2 3.32Å; N416-F418 VanDerWaalsContact C-N 3.28Å; N416-F418 PolarHBondContact O-N 2.82Å; N416-T420 VanDerWaalsContact O-CB 3.22Å; N416-T420 WeakPolarHBondContact O-CB 3.36Å; N416-T420 PolarHBondContact O-N 3.15Å; N416-T420 PolarHBondContact O-OG1 3.21Å
417	R	94.2	Very high	94.5	Very high	167 Å²	167	57.1 Å²	57.1	63%	0.63	28%	0.283	S	S	*	.	H	α-helix	trans	-59.9	-39.2	171.7	-178.6	-179.9	-68	-170.4	-3.1	111.9	R413 Q414 L415 S421	R413-R417 WeakPolarHBondContact O-CB 3.37Å; R413-R417 PolarHBondContact O-N 3.4Å; R413-R417 VanDerWaalsContact O-N 3.1Å; Q414-R417 PolarHBondContact O-N 2.82Å; L415-R417 PolarHBondContact O-N 2.74Å; R417-S421 PolarHBondContact O-N 2.71Å
418	F	94.4	Very high	94.4	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.009	27%	0.266	C	S	.	.	H	α-helix	trans	-68.3	-45.8	179.3	176.3	-115.8	0	0	0	113.1	F211 L215 L218 M220 Y247 T249 M260 T262 Q414 L415 N416 T420 S421 I422	F211-F418 HydrophobicContact CZ-CE1 4.09Å; F211-F418 AromaticContact CZ-CZ 3.81Å; F211-F418 HydrophobicContact CZ-CZ 3.81Å; L215-F418 HydrophobicContact CD2-CE2 4.09Å; L215-F418 HydrophobicContact CD2-CZ 3.84Å; L218-F418 HydrophobicContact CD1-CE2 4.49Å; M220-F418 HydrophobicContact SD-CE2 3.9Å; Y247-F418 HydrophobicContact CD1-CB 4.38Å; Y247-F418 HydrophobicContact CD1-CG 4.26Å; Y247-F418 HydrophobicContact CD2-CB 4.36Å; Y247-F418 HydrophobicContact CD2-CD1 4.36Å; Y247-F418 AromaticContact CD2-CD2 3.32Å; Y247-F418 HydrophobicContact CD2-CD2 3.32Å; Y247-F418 AromaticContact CD2-CE2 3.53Å; Y247-F418 HydrophobicContact CD2-CE2 3.53Å; Y247-F418 AromaticContact CD2-CG 3.76Å; Y247-F418 HydrophobicContact CD2-CG 3.76Å; Y247-F418 HydrophobicContact CD2-CZ 4.13Å; Y247-F418 HydrophobicContact CE1-CB 3.87Å; Y247-F418 HydrophobicContact CE1-CG 4.2Å; Y247-F418 HydrophobicContact CE2-CB 3.89Å; Y247-F418 AromaticContact CE2-CD2 3.29Å; Y247-F418 HydrophobicContact CE2-CD2 3.29Å; Y247-F418 AromaticContact CE2-CE2 3.95Å; Y247-F418 HydrophobicContact CE2-CE2 3.95Å; Y247-F418 AromaticContact CE2-CG 3.72Å; Y247-F418 HydrophobicContact CE2-CG 3.72Å; Y247-F418 HydrophobicContact CG-CD1 4.31Å; Y247-F418 HydrophobicContact CG-CD2 4.07Å; Y247-F418 HydrophobicContact CG-CE1 4.48Å; Y247-F418 HydrophobicContact CG-CE2 4.26Å; Y247-F418 HydrophobicContact CG-CG 4.07Å; Y247-F418 HydrophobicContact CG-CZ 4.44Å; Y247-F418 AromaticContact CZ-CD2 3.98Å; Y247-F418 AromaticContact CZ-CG 3.96Å; T249-F418 HydrophobicContact CG2-CE1 4.28Å; T249-F418 HydrophobicContact CG2-CZ 4.41Å; M260-F418 HydrophobicContact CE-CE1 4.48Å; T262-F418 HydrophobicContact CG2-CD1 3.83Å; T262-F418 HydrophobicContact CG2-CE1 3.9Å; Q414-F418 PolarHBondContact O-N 3.17Å; L415-F418 WeakPolarHBondContact O-CB 3.37Å; L415-F418 PolarHBondContact O-N 3.42Å; L415-F418 VanDerWaalsContact O-N 3.16Å; N416-F418 VanDerWaalsContact C-N 3.28Å; N416-F418 PolarHBondContact O-N 2.82Å; F418-T420 VanDerWaalsContact C-N 3.31Å; F418-T420 PolarHBondContact O-N 2.91Å; F418-S421 PolarHBondContact O-N 3.24Å; F418-S421 PolarHBondContact O-OG 2.88Å; F418-I422 HydrophobicContact CD1-CD1 4.25Å; F418-I422 HydrophobicContact CE1-CD1 3.8Å; F418-I422 HydrophobicContact CE2-CD1 4.2Å; F418-I422 HydrophobicContact CZ-CD1 3.78Å; F418-I422 PolarHBondContact O-N 3.07Å
419	I	95.1	Very high	94.3	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-66	-39.6	175.4	-149.4	65.6	0	0	0	110.3	F114 M260 L415 S421 I422 H423 F439 E441	F114-I419 HydrophobicContact CB-CD1 4.37Å; F114-I419 HydrophobicContact CD1-CB 4.17Å; F114-I419 HydrophobicContact CD1-CD1 3.96Å; F114-I419 HydrophobicContact CD1-CG1 3.75Å; F114-I419 HydrophobicContact CD1-CG2 4.44Å; F114-I419 HydrophobicContact CD2-CD1 4.09Å; F114-I419 HydrophobicContact CE1-CB 3.62Å; F114-I419 HydrophobicContact CE1-CD1 4.22Å; F114-I419 HydrophobicContact CE1-CG1 3.74Å; F114-I419 HydrophobicContact CE1-CG2 3.67Å; F114-I419 HydrophobicContact CE2-CB 4.39Å; F114-I419 HydrophobicContact CE2-CD1 4.34Å; F114-I419 HydrophobicContact CG-CD1 3.88Å; F114-I419 HydrophobicContact CG-CG1 4.21Å; F114-I419 HydrophobicContact CZ-CB 3.73Å; F114-I419 HydrophobicContact CZ-CD1 4.39Å; F114-I419 HydrophobicContact CZ-CG1 4.18Å; F114-I419 HydrophobicContact CZ-CG2 4.07Å; M260-I419 HydrophobicContact CE-CD1 4.04Å; L415-I419 PolarHBondContact O-N 2.82Å; I419-S421 VanDerWaalsContact C-N 3.29Å; I419-S421 PolarHBondContact O-N 3.05Å; I419-I422 HydrophobicContact CD1-CD1 4Å; I419-I422 WeakPolarHBondContact O-CB 3.34Å; I419-I422 PolarHBondContact O-N 3.5Å; I419-H423 PolarHBondContact O-CD2 2.85Å; I419-H423 PolarHBondContact O-N 2.98Å; I419-F439 HydrophobicContact CD1-CB 3.83Å; I419-F439 HydrophobicContact CD1-CD2 4.39Å; I419-F439 HydrophobicContact CD1-CG 4.08Å; I419-F439 HydrophobicContact CG1-CB 4.45Å; I419-E441 WeakPolarHBondContact CG2-O 3.42Å
420	T	95	Very high	94.1	Very high	59 Å²	59	56.1 Å²	56.1	36%	0.362	28%	0.28	S	S	.	.	H	α-helix	trans	-58.2	-36.8	174.3	-58.5	0	0	0	0	112.7	N416 F418 H423 K424	N416-T420 VanDerWaalsContact O-CB 3.22Å; N416-T420 WeakPolarHBondContact O-CB 3.36Å; N416-T420 PolarHBondContact O-N 3.15Å; N416-T420 PolarHBondContact O-OG1 3.21Å; F418-T420 VanDerWaalsContact C-N 3.31Å; F418-T420 PolarHBondContact O-N 2.91Å; T420-H423 PolarHBondContact O-N 3.17Å; T420-K424 HydrophobicContact CG2-CD 3.88Å; T420-K424 HydrophobicContact CG2-CG 4.21Å; T420-K424 WeakPolarHBondContact O-CB 3.4Å; T420-K424 WeakPolarHBondContact O-CG 3.41Å; T420-K424 PolarHBondContact O-N 3.45Å
421	S	93.2	Very high	93.9	Very high	50 Å²	50	53.8 Å²	53.8	35%	0.35	27%	0.269	S	S	.	.	H	α-helix	trans	-74.7	-27.8	176.8	68.6	0	0	0	0	113.2	R417 F418 I419 N425	R417-S421 PolarHBondContact O-N 2.71Å; F418-S421 PolarHBondContact O-N 3.24Å; F418-S421 PolarHBondContact O-OG 2.88Å; I419-S421 VanDerWaalsContact C-N 3.29Å; I419-S421 PolarHBondContact O-N 3.05Å; S421-N425 VanDerWaalsContact O-CB 3.31Å; S421-N425 WeakPolarHBondContact O-CB 3.24Å; S421-N425 PolarHBondContact O-N 3.05Å
422	I	93.2	Very high	93.6	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.5	-43.6	167.4	-66.3	161.4	0	0	0	110.6	F211 I214 L218 F418 I419 Q429 F439	F211-I422 HydrophobicContact CE2-CD1 3.96Å; F211-I422 HydrophobicContact CZ-CD1 4.24Å; I214-I422 HydrophobicContact CG2-CG1 4.23Å; I214-I422 HydrophobicContact CG2-CG2 4.33Å; L218-I422 HydrophobicContact CD1-CG1 3.61Å; F418-I422 HydrophobicContact CD1-CD1 4.25Å; F418-I422 HydrophobicContact CE1-CD1 3.8Å; F418-I422 HydrophobicContact CE2-CD1 4.2Å; F418-I422 HydrophobicContact CZ-CD1 3.78Å; F418-I422 PolarHBondContact O-N 3.07Å; I419-I422 HydrophobicContact CD1-CD1 4Å; I419-I422 WeakPolarHBondContact O-CB 3.34Å; I419-I422 PolarHBondContact O-N 3.5Å; I422-Q429 PolarHBondContact O-NE2 2.84Å; I422-F439 HydrophobicContact CG2-CD2 4.18Å
423	H	93.2	Very high	93.4	Very high	45 Å²	45	55.1 Å²	55.1	21%	0.208	28%	0.284	C	S	.	.	H	α-helix	trans	-72.2	-34.9	179.8	-73.8	-77	0	0	0	114	I419 T420 Q429 F439	I419-H423 PolarHBondContact O-CD2 2.85Å; I419-H423 PolarHBondContact O-N 2.98Å; T420-H423 PolarHBondContact O-N 3.17Å; H423-Q429 VanDerWaalsContact O-CG 3.31Å; H423-Q429 WeakPolarHBondContact O-CG 3.49Å; H423-F439 PolarHBondContact CE1-O 3.13Å
424	K	94.2	Very high	93.1	Very high	177 Å²	177	52 Å²	52	77%	0.77	27%	0.274	S	S	*	.	H	α-helix	trans	-80.8	-11.4	178.8	-71	-173.8	178.6	-172.5	0	114.9	T420	T420-K424 HydrophobicContact CG2-CD 3.88Å; T420-K424 HydrophobicContact CG2-CG 4.21Å; T420-K424 WeakPolarHBondContact O-CB 3.4Å; T420-K424 WeakPolarHBondContact O-CG 3.41Å; T420-K424 PolarHBondContact O-N 3.45Å
425	N	95.1	Very high	92.8	Very high	42 Å²	42	49.8 Å²	49.8	23%	0.225	26%	0.264	C	S	.	.			trans	-92.5	112.9	178.8	-178.9	-74.6	0	0	0	110.6	V217 L218 S421 D427 A428 Q429	V217-N425 WeakPolarHBondContact CG1-OD1 3.36Å; L218-N425 HydrophobicContact CD2-CB 3.72Å; S421-N425 VanDerWaalsContact O-CB 3.31Å; S421-N425 WeakPolarHBondContact O-CB 3.24Å; S421-N425 PolarHBondContact O-N 3.05Å; N425-D427 PolarHBondContact O-N 2.95Å; N425-D427 PolarHBondContact OD1-N 3.05Å; N425-A428 HydrophobicContact CB-CB 3.97Å; N425-A428 PolarHBondContact O-N 3.27Å; N425-A428 WeakPolarHBondContact OD1-CB 3.15Å; N425-A428 PolarHBondContact OD1-N 2.9Å; N425-Q429 PolarHBondContact O-N 3.36Å
426	A	94.8	Very high	92.5	Very high	78 Å²	78	50.4 Å²	50.4	65%	0.645	27%	0.27	S	S	*	.	H	α-helix	trans	-61.4	-38.5	-174.8	0	0	0	0	0	113.4	Q429 S430	A426-Q429 PolarHBondContact O-N 2.86Å; A426-S430 WeakPolarHBondContact O-CB 3.34Å; A426-S430 PolarHBondContact O-N 3.3Å
427	D	93.5	Very high	92.3	Very high	109 Å²	109	48.6 Å²	48.6	58%	0.583	26%	0.261	S	S	*	.	H	α-helix	trans	-67.8	-37.5	177.9	-69.5	-49.1	0	0	0	112.2	V217 N425 S430 E431	V217-D427 HydrophobicContact CG1-CB 3.46Å; V217-D427 VanDerWaalsContact CG1-CB 3.46Å; N425-D427 PolarHBondContact O-N 2.95Å; N425-D427 PolarHBondContact OD1-N 3.05Å; D427-S430 PolarHBondContact O-N 2.83Å; D427-E431 WeakPolarHBondContact O-CB 3.44Å; D427-E431 PolarHBondContact O-N 3.39Å
428	A	92.6	Very high	92.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-67.7	-43.2	175.5	0	0	0	0	0	111.6	I214 V217 N425 E431 M432	I214-A428 HydrophobicContact CG2-CB 3.95Å; V217-A428 HydrophobicContact CG1-CB 4.33Å; N425-A428 HydrophobicContact CB-CB 3.97Å; N425-A428 PolarHBondContact O-N 3.27Å; N425-A428 WeakPolarHBondContact OD1-CB 3.15Å; N425-A428 PolarHBondContact OD1-N 2.9Å; A428-E431 PolarHBondContact O-N 2.87Å; A428-M432 PolarHBondContact O-N 2.99Å
429	Q	91.8	Very high	92.1	Very high	45 Å²	45	42.9 Å²	42.9	21%	0.21	25%	0.245	C	C	.	.	H	α-helix	trans	-65.2	-40.7	173.3	-69.4	-54.1	-71.5	0	0	111.9	I422 H423 N425 A426 M432 S433	I422-Q429 PolarHBondContact O-NE2 2.84Å; H423-Q429 VanDerWaalsContact O-CG 3.31Å; H423-Q429 WeakPolarHBondContact O-CG 3.49Å; N425-Q429 PolarHBondContact O-N 3.36Å; A426-Q429 PolarHBondContact O-N 2.86Å; Q429-M432 PolarHBondContact O-N 2.69Å; Q429-S433 WeakPolarHBondContact O-CB 3.48Å; Q429-S433 PolarHBondContact O-N 3.38Å; Q429-S433 PolarHBondContact O-OG 2.89Å
430	S	90.8	Very high	92	Very high	52 Å²	52	44.7 Å²	44.7	36%	0.364	26%	0.255	S	S	.	.	H	α-helix	trans	-60	-47.3	174.3	177.9	0	0	0	0	111.1	A426 D427 M432 S433 K434	A426-S430 WeakPolarHBondContact O-CB 3.34Å; A426-S430 PolarHBondContact O-N 3.3Å; D427-S430 PolarHBondContact O-N 2.83Å; S430-M432 PolarHBondContact O-N 3.43Å; S430-S433 PolarHBondContact O-N 2.76Å; S430-K434 WeakPolarHBondContact O-CB 3.39Å; S430-K434 VanDerWaalsContact O-CE 3.31Å; S430-K434 WeakPolarHBondContact O-CE 3.44Å; S430-K434 VanDerWaalsContact O-CG 3.25Å; S430-K434 WeakPolarHBondContact O-CG 3.34Å; S430-K434 PolarHBondContact O-N 2.85Å; S430-K434 WeakPolarHBondContact OG-CE 3.42Å
431	E	90.3	Very high	91.9	Very high	25 Å²	25	48.1 Å²	48.1	12%	0.117	27%	0.267	C	S	.	.	H	α-helix	trans	-65	-37	178.6	-169.8	65.9	-179.5	0	0	112.9	R213 D427 A428 K434 W435	R213-E431 HydrophobicContact CB-CG 4.37Å; R213-E431 WeakPolarHBondContact CD-OE1 3.43Å; R213-E431 IonicContact CZ-OE1 3.43Å; R213-E431 IonicContact NE-OE1 3.84Å; R213-E431 IonicContact NH1-OE1 3.66Å; R213-E431 PolarHBondContact NH1-OE1 2.83Å; D427-E431 WeakPolarHBondContact O-CB 3.44Å; D427-E431 PolarHBondContact O-N 3.39Å; A428-E431 PolarHBondContact O-N 2.87Å; E431-K434 IonicContact OE2-NZ 3.58Å; E431-K434 PolarHBondContact OE2-NZ 3.05Å; E431-W435 VanDerWaalsContact O-CD1 3.25Å
432	M	89	Confident	91.9	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.02	28%	0.281	C	S	.	.	H	α-helix	trans	-68.6	-46.9	172.2	-75.9	-70	-77.7	0	0	112.4	I210 I214 A428 Q429 S430 K434 W435 G436 L437 F439	I210-M432 HydrophobicContact CG2-SD 3.95Å; I214-M432 HydrophobicContact CD1-CG 3.38Å; I214-M432 HydrophobicContact CD1-SD 3.35Å; I214-M432 WeakPolarHBondContact CD1-SD 3.46Å; I214-M432 HydrophobicContact CG1-CG 4.39Å; A428-M432 PolarHBondContact O-N 2.99Å; Q429-M432 PolarHBondContact O-N 2.69Å; S430-M432 PolarHBondContact O-N 3.43Å; M432-K434 VanDerWaalsContact C-N 3.33Å; M432-K434 PolarHBondContact O-N 3.15Å; M432-W435 PolarHBondContact O-N 3.06Å; M432-G436 PolarHBondContact O-N 3.48Å; M432-L437 CarbonylContact C-O 3.46Å; M432-L437 WeakPolarHBondContact CB-O 3.36Å; M432-L437 HydrophobicContact CE-CB 3.67Å; M432-L437 PolarHBondContact O-N 2.88Å; M432-L437 HydrophobicContact SD-CB 4.25Å; M432-F439 HydrophobicContact CE-CD2 3.69Å; M432-F439 HydrophobicContact CE-CE2 3.51Å; M432-F439 HydrophobicContact CE-CG 4.32Å; M432-F439 HydrophobicContact CE-CZ 4.01Å; M432-F439 HydrophobicContact SD-CE2 4Å
433	S	89.4	Confident	92	Very high	66 Å²	66	53.2 Å²	53.2	46%	0.462	28%	0.283	S	S	.	.	H	α-helix	trans	-65	-34.2	-175.2	-60.3	0	0	0	0	112.9	Q429 S430 W435 G436	Q429-S433 WeakPolarHBondContact O-CB 3.48Å; Q429-S433 PolarHBondContact O-N 3.38Å; Q429-S433 PolarHBondContact O-OG 2.89Å; S430-S433 PolarHBondContact O-N 2.76Å; S433-W435 PolarHBondContact O-N 3.23Å; S433-G436 PolarHBondContact O-N 3.34Å
434	K	89.1	Confident	92.2	Very high	76 Å²	76	51.3 Å²	51.3	33%	0.33	28%	0.275	S	S	.	.	H	α-helix	trans	-51.7	-39.1	170.2	-81	169.9	-135.2	163.7	0	112.5	A155 S430 E431 M432	A155-K434 HydrophobicContact CB-CB 3.91Å; A155-K434 WeakPolarHBondContact CB-O 3.36Å; S430-K434 WeakPolarHBondContact O-CB 3.39Å; S430-K434 VanDerWaalsContact O-CE 3.31Å; S430-K434 WeakPolarHBondContact O-CE 3.44Å; S430-K434 VanDerWaalsContact O-CG 3.25Å; S430-K434 WeakPolarHBondContact O-CG 3.34Å; S430-K434 PolarHBondContact O-N 2.85Å; S430-K434 WeakPolarHBondContact OG-CE 3.42Å; E431-K434 IonicContact OE2-NZ 3.58Å; E431-K434 PolarHBondContact OE2-NZ 3.05Å; M432-K434 VanDerWaalsContact C-N 3.33Å; M432-K434 PolarHBondContact O-N 3.15Å
435	W	89.8	Confident	92.3	Very high	2 Å²	2	48 Å²	48	1%	0.008	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	3.1	178.2	-65.5	100	0	0	0	113.3	W122 L124 A155 N157 F164 P166 F206 I210 E431 M432 S433 L437	W122-W435 PolarHBondContact NE1-O 2.79Å; L124-W435 HydrophobicContact CD1-CE3 4.35Å; L124-W435 HydrophobicContact CD1-CZ3 3.97Å; A155-W435 HydrophobicContact CB-CD2 4.46Å; N157-W435 HydrophobicContact CB-CH2 3.89Å; N157-W435 HydrophobicContact CB-CZ2 3.94Å; F164-W435 WeakPolarHBondContact O-CH2 3.28Å; P166-W435 HydrophobicContact CB-CE3 3.87Å; P166-W435 HydrophobicContact CB-CZ3 4.34Å; P166-W435 VanDerWaalsContact CD-CZ3 3.5Å; P166-W435 HydrophobicContact CG-CE3 3.97Å; P166-W435 HydrophobicContact CG-CZ3 4.24Å; F206-W435 HydrophobicContact CE1-CD2 4.32Å; F206-W435 HydrophobicContact CE1-CE3 4Å; F206-W435 HydrophobicContact CE1-CZ3 4.24Å; F206-W435 AromaticContact CE2-CH2 3.9Å; F206-W435 HydrophobicContact CE2-CH2 3.9Å; F206-W435 HydrophobicContact CE2-CZ2 4.25Å; F206-W435 HydrophobicContact CE2-CZ3 4.03Å; F206-W435 AromaticContact CZ-CD2 3.75Å; F206-W435 HydrophobicContact CZ-CD2 3.75Å; F206-W435 AromaticContact CZ-CE2 3.91Å; F206-W435 AromaticContact CZ-CE3 3.46Å; F206-W435 HydrophobicContact CZ-CE3 3.46Å; F206-W435 VanDerWaalsContact CZ-CE3 3.46Å; F206-W435 AromaticContact CZ-CH2 3.59Å; F206-W435 HydrophobicContact CZ-CH2 3.59Å; F206-W435 AromaticContact CZ-CZ2 3.86Å; F206-W435 HydrophobicContact CZ-CZ2 3.86Å; F206-W435 AromaticContact CZ-CZ3 3.37Å; F206-W435 HydrophobicContact CZ-CZ3 3.37Å; I210-W435 HydrophobicContact CD1-CB 3.86Å; I210-W435 VanDerWaalsContact CD1-CD1 3.49Å; I210-W435 HydrophobicContact CD1-CD2 3.89Å; I210-W435 HydrophobicContact CD1-CG 3.46Å; I210-W435 VanDerWaalsContact CD1-CG 3.46Å; I210-W435 HydrophobicContact CG1-CG 4.41Å; E431-W435 VanDerWaalsContact O-CD1 3.25Å; M432-W435 PolarHBondContact O-N 3.06Å; S433-W435 PolarHBondContact O-N 3.23Å; W435-L437 VanDerWaalsContact C-N 3.29Å; W435-L437 HydrophobicContact CB-CD1 4.06Å; W435-L437 HydrophobicContact CB-CG 4.07Å; W435-L437 PolarHBondContact O-N 3.47Å
436	G	88.9	Confident	92.4	Very high	13 Å²	13	46.2 Å²	46.2	13%	0.134	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	29.1	-177.6	0	0	0	0	0	113.9	R119 M432 S433	R119-G436 PolarHBondContact N-O 3.24Å; M432-G436 PolarHBondContact O-N 3.48Å; S433-G436 PolarHBondContact O-N 3.34Å
437	L	91.2	Very high	92.5	Very high	7 Å²	7	45 Å²	45	4%	0.037	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	155.6	-179.7	-55.5	176.4	0	0	0	110.8	L117 W122 Y207 I210 M432 W435	L117-L437 CarbonylContact O-C 3.47Å; L117-L437 WeakPolarHBondContact O-CA 3.47Å; W122-L437 HydrophobicContact CD2-CD2 4.43Å; W122-L437 HydrophobicContact CZ2-CD1 4.47Å; W122-L437 HydrophobicContact CZ2-CD2 4.01Å; W122-L437 HydrophobicContact CZ2-CG 4.44Å; Y207-L437 HydrophobicContact CD1-CD1 3.67Å; Y207-L437 HydrophobicContact CE1-CD1 3.63Å; Y207-L437 HydrophobicContact CE1-CD2 3.9Å; Y207-L437 HydrophobicContact CE1-CG 4.43Å; I210-L437 HydrophobicContact CD1-CD1 3.77Å; M432-L437 CarbonylContact C-O 3.46Å; M432-L437 WeakPolarHBondContact CB-O 3.36Å; M432-L437 HydrophobicContact CE-CB 3.67Å; M432-L437 PolarHBondContact O-N 2.88Å; M432-L437 HydrophobicContact SD-CB 4.25Å; W435-L437 VanDerWaalsContact C-N 3.29Å; W435-L437 HydrophobicContact CB-CD1 4.06Å; W435-L437 HydrophobicContact CB-CG 4.07Å; W435-L437 PolarHBondContact O-N 3.47Å
438	S	91.9	Very high	92.7	Very high	42 Å²	42	39.9 Å²	39.9	29%	0.294	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	177.4	161.6	60.4	0	0	0	0	110.4	L117	L117-S438 WeakPolarHBondContact CB-OG 3.48Å; L117-S438 PolarHBondContact N-O 3.27Å; L117-S438 PolarHBondContact O-N 3.2Å
439	F	92.1	Very high	93	Very high	6 Å²	6	41 Å²	41	3%	0.026	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	154.2	168.4	-68.7	-74.7	0	0	0	109.9	I116 F211 I214 M260 I419 I422 H423 M432	I116-F439 HydrophobicContact CD1-CE1 4.02Å; I116-F439 HydrophobicContact CG1-CD1 4.09Å; I116-F439 HydrophobicContact CG1-CE1 3.78Å; F211-F439 AromaticContact CD2-CE2 3.83Å; F211-F439 HydrophobicContact CD2-CE2 3.83Å; F211-F439 AromaticContact CD2-CZ 3.51Å; F211-F439 HydrophobicContact CD2-CZ 3.51Å; F211-F439 AromaticContact CE2-CE2 3.8Å; F211-F439 HydrophobicContact CE2-CE2 3.8Å; F211-F439 AromaticContact CE2-CZ 3.69Å; F211-F439 HydrophobicContact CE2-CZ 3.69Å; F211-F439 HydrophobicContact CG-CZ 4.5Å; I214-F439 HydrophobicContact CD1-CE2 4.44Å; M260-F439 HydrophobicContact CB-CE1 4.02Å; M260-F439 HydrophobicContact CE-CD1 3.87Å; M260-F439 HydrophobicContact CE-CE1 3.62Å; M260-F439 HydrophobicContact CE-CE2 4.45Å; M260-F439 HydrophobicContact CE-CG 4.39Å; M260-F439 HydrophobicContact CE-CZ 3.95Å; M260-F439 HydrophobicContact SD-CE1 3.84Å; M260-F439 HydrophobicContact SD-CZ 3.96Å; I419-F439 HydrophobicContact CD1-CB 3.83Å; I419-F439 HydrophobicContact CD1-CD2 4.39Å; I419-F439 HydrophobicContact CD1-CG 4.08Å; I419-F439 HydrophobicContact CG1-CB 4.45Å; I422-F439 HydrophobicContact CG2-CD2 4.18Å; H423-F439 PolarHBondContact CE1-O 3.13Å; M432-F439 HydrophobicContact CE-CD2 3.69Å; M432-F439 HydrophobicContact CE-CE2 3.51Å; M432-F439 HydrophobicContact CE-CG 4.32Å; M432-F439 HydrophobicContact CE-CZ 4.01Å; M432-F439 HydrophobicContact SD-CE2 4Å
440	D	93.5	Very high	93.3	Very high	40 Å²	40	40.2 Å²	40.2	21%	0.214	22%	0.216	C	C	.	.			trans	-64.2	134.4	163.1	-163.5	-28.3	0	0	0	109.8	F114 R115 K442	F114-D440 WeakPolarHBondContact CD1-O 3.4Å; R115-D440 HydrophobicContact CB-CB 4.05Å; R115-D440 PolarHBondContact O-N 3.2Å; D440-K442 PolarHBondContact O-N 3.39Å; D440-K442 PolarHBondContact OD1-N 2.72Å; D440-K442 VanDerWaalsContact OD1-N 3.09Å
441	E	92.6	Very high	93.6	Very high	132 Å²	132	38.3 Å²	38.3	62%	0.617	20%	0.202	S	C	*	.	S	Bend	trans	-70.6	-20.3	179.6	-61.7	-173	157.6	0	0	112.5	I419	I419-E441 WeakPolarHBondContact CG2-O 3.42Å
442	K	93.2	Very high	93.7	Very high	147 Å²	147	39.5 Å²	39.5	64%	0.639	22%	0.221	S	C	*	.	S	Bend	trans	-113.7	153.3	-173.3	-67.5	175.7	-175.6	171.3	0	111.4	F114 D440	F114-K442 WeakPolarHBondContact CD1-O 3.5Å; D440-K442 PolarHBondContact O-N 3.39Å; D440-K442 PolarHBondContact OD1-N 2.72Å; D440-K442 VanDerWaalsContact OD1-N 3.09Å
443	L	96.1	Very high	93.9	Very high	9 Å²	9	41.3 Å²	41.3	5%	0.047	24%	0.241	C	C	.	.			trans	-66.7	142.5	168.9	-70.9	178.6	0	0	0	111	T110 F114 E412 L415 N445	T110-L443 HydrophobicContact CG2-CB 3.48Å; T110-L443 VanDerWaalsContact CG2-CB 3.48Å; T110-L443 HydrophobicContact CG2-CD1 4.13Å; T110-L443 HydrophobicContact CG2-CG 4.48Å; F114-L443 HydrophobicContact CD1-CD2 4.21Å; F114-L443 HydrophobicContact CD2-CD2 4.37Å; F114-L443 HydrophobicContact CE1-CD2 3.59Å; F114-L443 HydrophobicContact CE1-CG 4.12Å; F114-L443 HydrophobicContact CE2-CD2 3.77Å; F114-L443 HydrophobicContact CZ-CD2 3.34Å; F114-L443 HydrophobicContact CZ-CG 4.18Å; E412-L443 HydrophobicContact CG-CD1 3.83Å; L415-L443 HydrophobicContact CB-CD1 4.4Å; L415-L443 HydrophobicContact CB-CD2 4.31Å; L415-L443 HydrophobicContact CD1-CD1 4.27Å; L415-L443 HydrophobicContact CD1-CD2 4.4Å; L443-N445 PolarHBondContact O-N 2.8Å; L443-N445 VanDerWaalsContact O-N 3.13Å
444	L	96.9	Very high	94.1	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.026	22%	0.224	C	C	.	.			trans	-56.1	115.4	177.3	-179.5	76.4	0	0	0	111.2	T110 A111 F113 R115 M259 V763	T110-L444 CarbonylContact C-O 3.49Å; T110-L444 WeakPolarHBondContact CA-O 3.46Å; A111-L444 HydrophobicContact CB-CB 4.46Å; A111-L444 HydrophobicContact CB-CD2 4.35Å; A111-L444 PolarHBondContact N-O 3.02Å; F113-L444 HydrophobicContact CB-CB 3.96Å; F113-L444 HydrophobicContact CB-CD2 4.26Å; F113-L444 PolarHBondContact O-N 2.67Å; R115-L444 HydrophobicContact CG-CD1 4.42Å; R115-L444 VanDerWaalsContact CZ-CD1 3.49Å; R115-L444 VanDerWaalsContact NH2-CD1 3.29Å; M259-L444 HydrophobicContact CE-CD2 4.07Å; M259-L444 HydrophobicContact SD-CD1 4.09Å; M259-L444 HydrophobicContact SD-CD2 3.81Å; M259-L444 HydrophobicContact SD-CG 4.43Å; L444-V763 HydrophobicContact CD2-CG1 3.31Å
445	N	96.8	Very high	94.5	Very high	109 Å²	109	41 Å²	41	58%	0.583	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	130.2	164	-70.1	-39.4	0	0	0	109.6	L109 T110 L443	L109-N445 WeakPolarHBondContact O-CA 3.49Å; T110-N445 PolarHBondContact OG1-OD1 3.3Å; L443-N445 PolarHBondContact O-N 2.8Å; L443-N445 VanDerWaalsContact O-N 3.13Å
446	L	96.7	Very high	94.8	Very high	4 Å²	4	41 Å²	41	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	175.3	-177	73.1	166.9	0	0	0	111.1	L109 A111 F742 I759 E762 V763	L109-L446 HydrophobicContact CB-CD2 3.81Å; L109-L446 HydrophobicContact CB-CG 4.21Å; L109-L446 PolarHBondContact N-O 2.92Å; L109-L446 PolarHBondContact O-N 3.09Å; A111-L446 HydrophobicContact CB-CD2 3.64Å; L446-F742 HydrophobicContact CD1-CE1 4.4Å; L446-I759 HydrophobicContact CD1-CG2 3.58Å; L446-E762 WeakPolarHBondContact CA-OE1 3.25Å; L446-E762 VanDerWaalsContact CB-OE1 3.24Å; L446-E762 WeakPolarHBondContact CB-OE1 3.41Å; L446-V763 HydrophobicContact CD1-CG1 4.07Å; L446-V763 HydrophobicContact CD1-CG2 3.94Å
447	T	97.3	Very high	95.2	Very high	51 Å²	51	44.3 Å²	44.3	31%	0.313	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.5	179.2	-50	0	0	0	0	110.3	T106 K108	T106-T447 HydrophobicContact CG2-CG2 3.38Å; K108-T447 HydrophobicContact CD-CG2 4.43Å; K108-T447 PolarHBondContact NZ-OG1 3.44Å
448	G	97.6	Very high	95.3	Very high	3 Å²	3	44 Å²	44	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	-173.4	173.2	0	0	0	0	0	111.9	I107 V758	I107-G448 PolarHBondContact N-O 3.37Å; I107-G448 PolarHBondContact O-N 2.92Å; G448-V758 WeakPolarHBondContact CA-O 3.24Å
449	R	98.1	Very high	95.2	Very high	22 Å²	22	43.4 Å²	43.4	8%	0.083	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	149.7	175.8	-67.1	171.3	-66.3	109.6	2.2	110.6	G101 S103 A105 T757 V758 D760 D800	G101-R449 PolarHBondContact O-NE 3.23Å; G101-R449 VanDerWaalsContact O-NE 3.11Å; S103-R449 PolarHBondContact O-NH1 2.78Å; A105-R449 CarbonylContact O-C 3.52Å; A105-R449 WeakPolarHBondContact O-CA 3.34Å; R449-T757 CarbonylContact O-C 3.26Å; R449-T757 VanDerWaalsContact O-CA 3.31Å; R449-T757 WeakPolarHBondContact O-CA 3.3Å; R449-V758 PolarHBondContact N-O 3.06Å; R449-V758 VanDerWaalsContact N-O 3.11Å; R449-V758 PolarHBondContact O-N 2.88Å; R449-D760 IonicContact CZ-OD2 3.55Å; R449-D760 VanDerWaalsContact NH2-CG 3.34Å; R449-D760 IonicContact NH2-OD1 2.89Å; R449-D760 PolarHBondContact NH2-OD1 3Å; R449-D760 IonicContact NH2-OD2 3.26Å; R449-D760 PolarHBondContact NH2-OD2 2.81Å; R449-D800 IonicContact NH1-OD1 2.76Å
450	V	97.9	Very high	95	Very high	30 Å²	30	48.9 Å²	48.9	18%	0.182	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	110.8	174	-171.8	0	0	0	0	108.6	G104 A105 I107 P754	G104-V450 CarbonylContact C-O 3.59Å; G104-V450 WeakPolarHBondContact CA-O 3.36Å; A105-V450 PolarHBondContact N-O 2.89Å; A105-V450 PolarHBondContact O-N 3.46Å; I107-V450 HydrophobicContact CB-CG2 3.86Å; I107-V450 HydrophobicContact CD1-CG2 3.95Å; I107-V450 HydrophobicContact CG2-CG2 3.61Å; V450-P754 HydrophobicContact CB-CG 4.46Å; V450-P754 HydrophobicContact CG1-CB 4.37Å; V450-P754 HydrophobicContact CG1-CG 3.81Å; V450-P754 HydrophobicContact CG2-CG 3.73Å
451	L	97.1	Very high	95	Very high	11 Å²	11	54.3 Å²	54.3	6%	0.058	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-62.8	145.4	172.5	-62.8	179	0	0	0	110.4	G756 V758 R804 Y807	L451-G756 PolarHBondContact N-O 2.79Å; L451-V758 HydrophobicContact CD1-CG2 3.76Å; L451-V758 HydrophobicContact CG-CG2 3.8Å; L451-R804 HydrophobicContact CD1-CG 4.1Å; L451-R804 HydrophobicContact CD2-CG 3.84Å; L451-Y807 HydrophobicContact CB-CD1 4.03Å; L451-Y807 HydrophobicContact CB-CE1 4.2Å; L451-Y807 HydrophobicContact CD1-CD1 3.99Å; L451-Y807 HydrophobicContact CD1-CG 4.07Å
452	G	92.8	Very high	95.1	Very high	51 Å²	51	50.9 Å²	50.9	53%	0.526	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-62.2	160.7	177.1	0	0	0	0	0	113	Y807	G452-Y807 WeakPolarHBondContact O-CE1 3.48Å
453	G	92.1	Very high	95.2	Very high	42 Å²	42	45.2 Å²	45.2	43%	0.433	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-62.6	148.3	168.1	0	0	0	0	0	111.2
454	E	95.1	Very high	95.1	Very high	24 Å²	24	49 Å²	49	11%	0.112	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-97.6	137.9	179.1	-69.2	-68.2	174.8	0	0	110.9	Y465 V613 Y807 K808	E454-Y465 WeakPolarHBondContact O-CD1 3.39Å; E454-Y465 WeakPolarHBondContact O-CE1 3.35Å; E454-V613 HydrophobicContact CB-CG1 4.27Å; E454-Y807 HydrophobicContact CG-CD1 4.48Å; E454-Y807 HydrophobicContact CG-CE1 4.49Å; E454-K808 VanDerWaalsContact CD-CG 3.47Å; E454-K808 HydrophobicContact CG-CG 4.04Å; E454-K808 WeakPolarHBondContact OE1-CE 3.23Å; E454-K808 WeakPolarHBondContact OE1-CG 3.45Å; E454-K808 IonicContact OE1-NZ 2.77Å; E454-K808 PolarHBondContact OE1-NZ 3.25Å; E454-K808 VanDerWaalsContact OE1-NZ 3.17Å; E454-K808 IonicContact OE2-NZ 3.63Å; E454-K808 PolarHBondContact OE2-NZ 3.36Å
455	R	95.9	Very high	94.9	Very high	112 Å²	112	49.5 Å²	49.5	42%	0.423	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-74.1	128.4	175.7	-176.4	159.1	-71.3	170	-3.6	110.1	Y457 D464	R455-Y457 HydrophobicContact CB-CE2 4.03Å; R455-Y457 HydrophobicContact CG-CE2 3.94Å; R455-Y457 WeakPolarHBondContact O-CD2 3.49Å; R455-Y457 WeakPolarHBondContact O-CE2 3.47Å; R455-D464 IonicContact CZ-OD1 3.44Å; R455-D464 IonicContact CZ-OD2 3.6Å; R455-D464 IonicContact NE-OD1 2.89Å; R455-D464 PolarHBondContact NE-OD1 3.37Å; R455-D464 IonicContact NE-OD2 2.65Å; R455-D464 IonicContact NH2-OD1 3.28Å; R455-D464 PolarHBondContact NH2-OD1 3.33Å; R455-D464 IonicContact NH2-OD2 2.73Å; R455-D464 PolarHBondContact NH2-OD2 3.06Å
456	I	97.3	Very high	94.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	131.6	177.6	-50.5	-57.4	0	0	0	108.7	S462 Y463 Y465 W472 W611 V613	I456-S462 CarbonylContact O-C 3.58Å; I456-S462 WeakPolarHBondContact O-CA 3.31Å; I456-S462 WeakPolarHBondContact O-CB 3.31Å; I456-Y463 HydrophobicContact CB-CD2 4.08Å; I456-Y463 HydrophobicContact CB-CE2 3.67Å; I456-Y463 HydrophobicContact CG1-CD2 4.46Å; I456-Y463 HydrophobicContact CG1-CE2 4.03Å; I456-Y463 HydrophobicContact CG2-CE2 3.95Å; I456-Y463 PolarHBondContact N-O 3.26Å; I456-Y463 PolarHBondContact O-N 2.89Å; I456-Y465 HydrophobicContact CD1-CD1 4.02Å; I456-Y465 HydrophobicContact CD1-CE1 4.11Å; I456-Y465 HydrophobicContact CG1-CD1 3.87Å; I456-Y465 HydrophobicContact CG1-CE1 4.44Å; I456-W472 HydrophobicContact CD1-CD2 4.16Å; I456-W472 HydrophobicContact CD1-CE3 4.03Å; I456-W472 HydrophobicContact CD1-CH2 4.14Å; I456-W472 HydrophobicContact CD1-CZ2 4.25Å; I456-W472 HydrophobicContact CD1-CZ3 4.01Å; I456-W472 HydrophobicContact CG1-CD2 4.12Å; I456-W472 HydrophobicContact CG1-CE3 4.25Å; I456-W472 HydrophobicContact CG1-CG 4.38Å; I456-W611 HydrophobicContact CG2-CB 3.92Å; I456-W611 HydrophobicContact CG2-CG 4.19Å; I456-V613 HydrophobicContact CD1-CG1 3.9Å
457	Y	96.3	Very high	94	Very high	83 Å²	83	51 Å²	51	33%	0.325	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129	175.3	-64.4	-102.4	0	0	0	108.7	R455 W611 S612 E614	R455-Y457 HydrophobicContact CB-CE2 4.03Å; R455-Y457 HydrophobicContact CG-CE2 3.94Å; R455-Y457 WeakPolarHBondContact O-CD2 3.49Å; R455-Y457 WeakPolarHBondContact O-CE2 3.47Å; Y457-W611 CarbonylContact O-C 3.57Å; Y457-W611 WeakPolarHBondContact O-CA 3.39Å; Y457-W611 VanDerWaalsContact O-CB 3.32Å; Y457-W611 WeakPolarHBondContact O-CB 3.49Å; Y457-S612 PolarHBondContact N-O 3.49Å; Y457-S612 PolarHBondContact O-N 2.63Å; Y457-E614 HydrophobicContact CE2-CB 4.21Å
458	Q	94.6	Very high	93.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	110	-173	-162.8	-157.2	-32.3	0	0	110.5	R461 Y463 M476 I479 P480 L610 W611	Q458-R461 PolarHBondContact N-O 2.65Å; Q458-R461 PolarHBondContact O-N 3.2Å; Q458-R461 VanDerWaalsContact O-N 3.09Å; Q458-Y463 HydrophobicContact CB-CE1 4.05Å; Q458-Y463 PolarHBondContact OE1-OH 3.34Å; Q458-M476 VanDerWaalsContact OE1-CG 3.3Å; Q458-I479 HydrophobicContact CB-CG2 4.17Å; Q458-I479 HydrophobicContact CG-CG2 4.13Å; Q458-I479 PolarHBondContact NE2-O 3.41Å; Q458-I479 WeakPolarHBondContact O-CG2 3.4Å; Q458-P480 CarbonylContact C-O 3.54Å; Q458-P480 WeakPolarHBondContact CG-O 3.38Å; Q458-P480 PolarHBondContact NE2-O 3.44Å; Q458-L610 WeakPolarHBondContact CG-O 3.39Å; Q458-W611 HydrophobicContact CB-CB 4.43Å; Q458-W611 HydrophobicContact CG-CB 4.35Å
459	G	88.9	Confident	92.8	Very high	30 Å²	30	56.7 Å²	56.7	31%	0.309	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	-134.9	-170.5	0	0	0	0	0	110.7	R461 P480 V481	G459-R461 PolarHBondContact O-N 3.35Å; G459-P480 PolarHBondContact N-O 2.69Å; G459-V481 WeakPolarHBondContact CA-O 3.39Å
460	P	87.4	Confident	92.4	Very high	121 Å²	121	55.9 Å²	55.9	79%	0.786	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	9	177	36.4	-35.9	0	0	0	113.6
461	R	93.4	Very high	92.1	Very high	154 Å²	154	55.8 Å²	55.8	58%	0.581	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	153.4	-177.8	-67.8	-171.4	175.8	-175.6	-1.6	111.5	Q458 G459 I479	Q458-R461 PolarHBondContact N-O 2.65Å; Q458-R461 PolarHBondContact O-N 3.2Å; Q458-R461 VanDerWaalsContact O-N 3.09Å; G459-R461 PolarHBondContact O-N 3.35Å; R461-I479 HydrophobicContact CB-CG2 4.14Å; R461-I479 HydrophobicContact CG-CG2 4.45Å
462	S	94.9	Very high	92	Very high	60 Å²	60	55.3 Å²	55.3	42%	0.42	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	152.5	161.9	65.3	0	0	0	0	110.2	I456	I456-S462 CarbonylContact O-C 3.58Å; I456-S462 WeakPolarHBondContact O-CA 3.31Å; I456-S462 WeakPolarHBondContact O-CB 3.31Å
463	Y	95.2	Very high	91.9	Very high	29 Å²	29	54.8 Å²	54.8	11%	0.114	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	155.9	-179.1	54	-99.6	0	0	0	111.3	I456 Q458 W472 E475 I479	I456-Y463 HydrophobicContact CB-CD2 4.08Å; I456-Y463 HydrophobicContact CB-CE2 3.67Å; I456-Y463 HydrophobicContact CG1-CD2 4.46Å; I456-Y463 HydrophobicContact CG1-CE2 4.03Å; I456-Y463 HydrophobicContact CG2-CE2 3.95Å; I456-Y463 PolarHBondContact N-O 3.26Å; I456-Y463 PolarHBondContact O-N 2.89Å; Q458-Y463 HydrophobicContact CB-CE1 4.05Å; Q458-Y463 PolarHBondContact OE1-OH 3.34Å; Y463-W472 HydrophobicContact CE2-CB 4.03Å; Y463-W472 HydrophobicContact CE2-CG 4.42Å; Y463-E475 HydrophobicContact CD2-CB 3.72Å; Y463-E475 HydrophobicContact CD2-CG 4.36Å; Y463-E475 HydrophobicContact CE2-CB 3.63Å; Y463-E475 HydrophobicContact CG-CB 4.33Å; Y463-I479 HydrophobicContact CD1-CD1 3.87Å; Y463-I479 HydrophobicContact CE1-CD1 3.73Å
464	D	94.6	Very high	91.8	Very high	89 Å²	89	61.4 Å²	61.4	48%	0.476	31%	0.311	S	S	.	.			trans	-93.9	158.3	172.6	-53.3	-44.4	0	0	0	110.1	R455	R455-D464 IonicContact CZ-OD1 3.44Å; R455-D464 IonicContact CZ-OD2 3.6Å; R455-D464 IonicContact NE-OD1 2.89Å; R455-D464 PolarHBondContact NE-OD1 3.37Å; R455-D464 IonicContact NE-OD2 2.65Å; R455-D464 IonicContact NH2-OD1 3.28Å; R455-D464 PolarHBondContact NH2-OD1 3.33Å; R455-D464 IonicContact NH2-OD2 2.73Å; R455-D464 PolarHBondContact NH2-OD2 3.06Å
465	Y	92.8	Very high	91.6	Very high	14 Å²	14	63.7 Å²	63.7	6%	0.055	32%	0.322	C	S	.	.			trans	-125.4	158.9	177.6	70.7	-91.9	0	0	0	110.4	E454 I456 P467 W472 H811 I819	E454-Y465 WeakPolarHBondContact O-CD1 3.39Å; E454-Y465 WeakPolarHBondContact O-CE1 3.35Å; I456-Y465 HydrophobicContact CD1-CD1 4.02Å; I456-Y465 HydrophobicContact CD1-CE1 4.11Å; I456-Y465 HydrophobicContact CG1-CD1 3.87Å; I456-Y465 HydrophobicContact CG1-CE1 4.44Å; Y465-P467 WeakPolarHBondContact O-CD 3.26Å; Y465-W472 AromaticContact CD1-CE3 3.83Å; Y465-W472 HydrophobicContact CD1-CE3 3.83Å; Y465-W472 HydrophobicContact CD1-CZ3 4.27Å; Y465-W472 HydrophobicContact CD2-CE3 4.29Å; Y465-W472 HydrophobicContact CE1-CE3 4.18Å; Y465-W472 HydrophobicContact CE1-CZ3 4.15Å; Y465-W472 AromaticContact CG-CE3 3.91Å; Y465-W472 HydrophobicContact CG-CE3 3.91Å; Y465-H811 AromaticContact CE1-CD2 3.81Å; Y465-H811 AromaticContact CE1-NE2 3.71Å; Y465-H811 AromaticContact CZ-NE2 3.54Å; Y465-H811 PolarHBondContact OH-NE2 3.1Å; Y465-I819 HydrophobicContact CE2-CD1 3.97Å; Y465-I819 HydrophobicContact CE2-CG1 4.32Å; Y465-I819 WeakPolarHBondContact OH-CD1 3.45Å
466	N	90.7	Very high	91.4	Very high	92 Å²	92	58.9 Å²	58.9	49%	0.492	30%	0.304	S	S	.	.			trans	-71	114.3	177.7	173.2	-15	0	0	0	110.8	Q468 S469 A470	N466-Q468 VanDerWaalsContact C-N 3.31Å; N466-Q468 PolarHBondContact O-N 3.19Å; N466-Q468 WeakPolarHBondContact OD1-CB 3.38Å; N466-Q468 PolarHBondContact OD1-N 2.71Å; N466-S469 VanDerWaalsContact CB-OG 3.29Å; N466-S469 WeakPolarHBondContact CB-OG 3.46Å; N466-S469 PolarHBondContact O-N 2.82Å; N466-S469 PolarHBondContact O-OG 3.08Å; N466-A470 PolarHBondContact O-N 2.87Å; N466-A470 VanDerWaalsContact O-N 3.16Å
467	P	84.6	Confident	90.9	Very high	53 Å²	53	67.3 Å²	67.3	34%	0.344	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-34.2	-173.9	-24.8	36.6	0	0	0	113.8	Y465 S469 A470 P755	Y465-P467 WeakPolarHBondContact O-CD 3.26Å; P467-S469 VanDerWaalsContact C-N 3.3Å; P467-S469 PolarHBondContact O-N 3.48Å; P467-A470 PolarHBondContact O-N 3.26Å; P467-P755 WeakPolarHBondContact O-CB 3.46Å; P467-P755 WeakPolarHBondContact O-CG 3.5Å
468	Q	84.6	Confident	90.4	Very high	118 Å²	118	65.7 Å²	65.7	55%	0.551	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-34.1	-179	-62.5	-68.1	-5.7	0	0	112.2	N466 S777	N466-Q468 VanDerWaalsContact C-N 3.31Å; N466-Q468 PolarHBondContact O-N 3.19Å; N466-Q468 WeakPolarHBondContact OD1-CB 3.38Å; N466-Q468 PolarHBondContact OD1-N 2.71Å; Q468-S777 VanDerWaalsContact O-CB 3.32Å; Q468-S777 WeakPolarHBondContact O-CB 3.22Å; Q468-S777 PolarHBondContact O-OG 3.44Å
469	S	84.7	Confident	90.3	Very high	56 Å²	56	66.3 Å²	66.3	39%	0.392	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-27.2	175.5	38.2	0	0	0	0	114.2	N466 P467 D471	N466-S469 VanDerWaalsContact CB-OG 3.29Å; N466-S469 WeakPolarHBondContact CB-OG 3.46Å; N466-S469 PolarHBondContact O-N 2.82Å; N466-S469 PolarHBondContact O-OG 3.08Å; P467-S469 VanDerWaalsContact C-N 3.3Å; P467-S469 PolarHBondContact O-N 3.48Å; S469-D471 PolarHBondContact O-N 3.12Å
470	A	89.3	Confident	90.7	Very high	4 Å²	4	67 Å²	67	3%	0.033	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	39.9	-177.4	0	0	0	0	0	113.8	N466 P467 P755 G818 I819	N466-A470 PolarHBondContact O-N 2.87Å; N466-A470 VanDerWaalsContact O-N 3.16Å; P467-A470 PolarHBondContact O-N 3.26Å; A470-P755 HydrophobicContact CB-CB 4.11Å; A470-P755 HydrophobicContact CB-CG 3.86Å; A470-G818 CarbonylContact O-C 3.54Å; A470-G818 WeakPolarHBondContact O-CA 3.16Å; A470-I819 HydrophobicContact CB-CB 4.03Å; A470-I819 HydrophobicContact CB-CD1 3.59Å; A470-I819 HydrophobicContact CB-CG1 3.7Å; A470-I819 PolarHBondContact O-N 3.07Å
471	D	91.9	Very high	91.1	Very high	29 Å²	29	61.6 Å²	61.6	16%	0.155	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-144.4	136.1	-174.2	-175.8	-59.9	0	0	0	107.8	S469 S473 Q817	S469-D471 PolarHBondContact O-N 3.12Å; D471-S473 WeakPolarHBondContact OD1-CB 3.25Å; D471-S473 PolarHBondContact OD1-N 3.07Å; D471-S473 PolarHBondContact OD1-OG 3.13Å; D471-Q817 WeakPolarHBondContact CA-O 3.4Å
472	W	93.9	Very high	91.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.299	C	S	.	.			trans	-125.3	27.5	177.3	53	87.1	0	0	0	112.7	I456 Y463 Y465 R474 E475 M476 W611 H811 Q817 G818 I819	I456-W472 HydrophobicContact CD1-CD2 4.16Å; I456-W472 HydrophobicContact CD1-CE3 4.03Å; I456-W472 HydrophobicContact CD1-CH2 4.14Å; I456-W472 HydrophobicContact CD1-CZ2 4.25Å; I456-W472 HydrophobicContact CD1-CZ3 4.01Å; I456-W472 HydrophobicContact CG1-CD2 4.12Å; I456-W472 HydrophobicContact CG1-CE3 4.25Å; I456-W472 HydrophobicContact CG1-CG 4.38Å; Y463-W472 HydrophobicContact CE2-CB 4.03Å; Y463-W472 HydrophobicContact CE2-CG 4.42Å; Y465-W472 AromaticContact CD1-CE3 3.83Å; Y465-W472 HydrophobicContact CD1-CE3 3.83Å; Y465-W472 HydrophobicContact CD1-CZ3 4.27Å; Y465-W472 HydrophobicContact CD2-CE3 4.29Å; Y465-W472 HydrophobicContact CE1-CE3 4.18Å; Y465-W472 HydrophobicContact CE1-CZ3 4.15Å; Y465-W472 AromaticContact CG-CE3 3.91Å; Y465-W472 HydrophobicContact CG-CE3 3.91Å; W472-R474 PolarHBondContact O-N 3.16Å; W472-E475 WeakPolarHBondContact CA-OE2 3.3Å; W472-E475 HydrophobicContact CB-CB 4.44Å; W472-E475 PolarHBondContact O-N 2.67Å; W472-M476 WeakPolarHBondContact O-CB 3.4Å; W472-M476 PolarHBondContact O-N 2.74Å; W472-M476 VanDerWaalsContact O-N 3.16Å; W472-W611 AromaticContact CZ2-CE2 3.76Å; W472-W611 AromaticContact CZ2-CZ2 3.84Å; W472-W611 HydrophobicContact CZ2-CZ2 3.84Å; W472-W611 AromaticContact CZ2-NE1 3.59Å; W472-W611 AromaticContact NE1-CD2 3.99Å; W472-W611 AromaticContact NE1-CE2 3.85Å; W472-H811 HydrophobicContact CH2-CB 3.92Å; W472-H811 AromaticContact CH2-CD2 3.89Å; W472-H811 AromaticContact CZ3-CD2 3.74Å; W472-Q817 PolarHBondContact N-O 3.33Å; W472-G818 VanDerWaalsContact CH2-CA 3.47Å; W472-G818 VanDerWaalsContact CH2-O 3.3Å; W472-G818 WeakPolarHBondContact CH2-O 3.28Å; W472-G818 VanDerWaalsContact CZ3-C 3.44Å; W472-G818 VanDerWaalsContact CZ3-CA 3.43Å; W472-I819 HydrophobicContact CZ3-CG1 3.99Å
473	S	91.1	Very high	91.2	Very high	41 Å²	41	55.9 Å²	55.9	29%	0.287	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	2	-176.1	69.3	0	0	0	0	115.1	D471 R477	D471-S473 WeakPolarHBondContact OD1-CB 3.25Å; D471-S473 PolarHBondContact OD1-N 3.07Å; D471-S473 PolarHBondContact OD1-OG 3.13Å; S473-R477 PolarHBondContact O-NE 3.13Å
474	R	90.6	Very high	91.2	Very high	181 Å²	181	55.9 Å²	55.9	68%	0.683	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-40.7	171.9	-47.8	177.2	170.1	-159.2	-1	110.9	W472 R477	W472-R474 PolarHBondContact O-N 3.16Å; R474-R477 WeakPolarHBondContact O-CB 2.91Å; R474-R477 VanDerWaalsContact O-CG 3.27Å; R474-R477 WeakPolarHBondContact O-CG 3.29Å; R474-R477 PolarHBondContact O-N 3.27Å
475	E	91.8	Very high	91.2	Very high	71 Å²	71	53.6 Å²	53.6	33%	0.332	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-42.4	-174.8	-60.5	64.8	-147.9	0	0	109.8	Y463 W472 R477 I479	Y463-E475 HydrophobicContact CD2-CB 3.72Å; Y463-E475 HydrophobicContact CD2-CG 4.36Å; Y463-E475 HydrophobicContact CE2-CB 3.63Å; Y463-E475 HydrophobicContact CG-CB 4.33Å; W472-E475 WeakPolarHBondContact CA-OE2 3.3Å; W472-E475 HydrophobicContact CB-CB 4.44Å; W472-E475 PolarHBondContact O-N 2.67Å; E475-R477 PolarHBondContact O-N 3.02Å; E475-I479 WeakPolarHBondContact O-CD1 3.33Å
476	M	90.9	Very high	91.4	Very high	11 Å²	11	55.7 Å²	55.7	5%	0.054	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-13.2	176.2	-166.2	-174.6	-173.8	0	0	115.3	Q458 W472 G478 I479 L600 W611 Q817	Q458-M476 VanDerWaalsContact OE1-CG 3.3Å; W472-M476 WeakPolarHBondContact O-CB 3.4Å; W472-M476 PolarHBondContact O-N 2.74Å; W472-M476 VanDerWaalsContact O-N 3.16Å; M476-G478 PolarHBondContact O-N 2.83Å; M476-I479 PolarHBondContact O-N 3.02Å; M476-L600 HydrophobicContact CE-CD1 3.58Å; M476-L600 HydrophobicContact CE-CD2 3.59Å; M476-L600 HydrophobicContact CE-CG 4.25Å; M476-L600 HydrophobicContact SD-CD1 3.93Å; M476-W611 HydrophobicContact CE-CE3 3.72Å; M476-W611 HydrophobicContact CE-CZ3 3.8Å; M476-W611 HydrophobicContact SD-CE3 4.24Å; M476-W611 HydrophobicContact SD-CZ3 4.05Å; M476-Q817 HydrophobicContact SD-CG 3.49Å; M476-Q817 WeakPolarHBondContact SD-CG 3.27Å
477	R	87.5	Confident	91.7	Very high	177 Å²	177	51.3 Å²	51.3	67%	0.668	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	124.5	-167.9	-64.4	-179.3	-163.6	169.3	10.6	112.6	S473 R474 E475 I479	S473-R477 PolarHBondContact O-NE 3.13Å; R474-R477 WeakPolarHBondContact O-CB 2.91Å; R474-R477 VanDerWaalsContact O-CG 3.27Å; R474-R477 WeakPolarHBondContact O-CG 3.29Å; R474-R477 PolarHBondContact O-N 3.27Å; E475-R477 PolarHBondContact O-N 3.02Å; R477-I479 PolarHBondContact O-N 2.96Å
478	G	85.8	Confident	92.2	Very high	50 Å²	50	51.6 Å²	51.6	52%	0.515	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	15.5	179.1	0	0	0	0	0	113.5	M476 P515	M476-G478 PolarHBondContact O-N 2.83Å; G478-P515 CarbonylContact C-O 3.55Å; G478-P515 VanDerWaalsContact C-O 3.26Å; G478-P515 WeakPolarHBondContact CA-O 3.47Å
479	I	92.6	Very high	92.8	Very high	12 Å²	12	48.2 Å²	48.2	6%	0.062	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-99.8	133	167.9	-57.5	-176.1	0	0	0	106.8	Q458 R461 Y463 E475 M476 R477	Q458-I479 HydrophobicContact CB-CG2 4.17Å; Q458-I479 HydrophobicContact CG-CG2 4.13Å; Q458-I479 PolarHBondContact NE2-O 3.41Å; Q458-I479 WeakPolarHBondContact O-CG2 3.4Å; R461-I479 HydrophobicContact CB-CG2 4.14Å; R461-I479 HydrophobicContact CG-CG2 4.45Å; Y463-I479 HydrophobicContact CD1-CD1 3.87Å; Y463-I479 HydrophobicContact CE1-CD1 3.73Å; E475-I479 WeakPolarHBondContact O-CD1 3.33Å; M476-I479 PolarHBondContact O-N 3.02Å; R477-I479 PolarHBondContact O-N 2.96Å
480	P	95.7	Very high	93.4	Very high	45 Å²	45	45.6 Å²	45.6	29%	0.292	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-65.3	151.7	174.6	28.5	-35.3	0	0	0	111.5	Q458 G459 I516	Q458-P480 CarbonylContact C-O 3.54Å; Q458-P480 WeakPolarHBondContact CG-O 3.38Å; Q458-P480 PolarHBondContact NE2-O 3.44Å; G459-P480 PolarHBondContact N-O 2.69Å; P480-I516 WeakPolarHBondContact CA-O 3.37Å
481	V	95.9	Very high	93.9	Very high	8 Å²	8	45.6 Å²	45.6	5%	0.048	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-66	167.7	169.8	-64.2	0	0	0	0	111.7	G459 A484 I516 I518 L600 L610	G459-V481 WeakPolarHBondContact CA-O 3.39Å; V481-A484 HydrophobicContact CG2-CB 3.94Å; V481-I516 PolarHBondContact N-O 2.82Å; V481-I518 HydrophobicContact CG2-CG1 4.33Å; V481-L600 HydrophobicContact CG1-CD2 3.66Å; V481-L610 HydrophobicContact CB-CD2 4.45Å; V481-L610 HydrophobicContact CG1-CB 4.47Å; V481-L610 HydrophobicContact CG1-CD2 3.83Å
482	I	96.6	Very high	94.2	Very high	60 Å²	60	44.4 Å²	44.4	31%	0.308	24%	0.237	S	C	.	.	S	Bend	trans	-62	-49.6	173.9	-63.3	175.5	0	0	0	110.6	E609 L610 W611 S612	I482-E609 WeakPolarHBondContact CA-O 3.34Å; I482-E609 HydrophobicContact CB-CB 4.15Å; I482-E609 WeakPolarHBondContact CB-O 3.33Å; I482-E609 HydrophobicContact CG2-CB 4.32Å; I482-E609 PolarHBondContact N-O 3.43Å; I482-L610 PolarHBondContact N-O 2.86Å; I482-W611 VanDerWaalsContact CD1-C 3.44Å; I482-S612 WeakPolarHBondContact CD1-OG 3.44Å
483	S	95.3	Very high	94.4	Very high	33 Å²	33	44.4 Å²	44.4	23%	0.231	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-152.8	149.1	175.3	75.3	0	0	0	0	111.5	G608 E609	S483-G608 CarbonylContact O-C 3.6Å; S483-G608 WeakPolarHBondContact O-CA 3.42Å; S483-E609 PolarHBondContact N-O 3.34Å; S483-E609 PolarHBondContact O-N 3.05Å; S483-E609 WeakPolarHBondContact OG-CB 3.42Å; S483-E609 WeakPolarHBondContact OG-CG 3.47Å; S483-E609 PolarHBondContact OG-N 3Å; S483-E609 PolarHBondContact OG-OE1 3.06Å
484	A	95.3	Very high	94.7	Very high	30 Å²	30	43 Å²	43	25%	0.248	23%	0.226	C	C	.	.			trans	-147.4	131.6	168.1	0	0	0	0	0	109.8	V481 I518 A603	V481-A484 HydrophobicContact CG2-CB 3.94Å; A484-I518 HydrophobicContact CB-CB 4.42Å; A484-I518 HydrophobicContact CB-CG1 3.92Å; A484-I518 HydrophobicContact CB-CG2 4.28Å; A484-A603 HydrophobicContact CB-CB 4.06Å
485	P	94.5	Very high	94.9	Very high	40 Å²	40	34.5 Å²	34.5	26%	0.26	19%	0.194	S	C	.	.			trans	-59	140.8	168.4	-22.3	33	0	0	0	110.5	M606	P485-M606 HydrophobicContact CB-CB 4.34Å; P485-M606 HydrophobicContact CB-CE 4.39Å; P485-M606 HydrophobicContact CG-CB 3.94Å; P485-M606 WeakPolarHBondContact CG-O 3.36Å
486	P	95.6	Very high	94.8	Very high	58 Å²	58	40.6 Å²	40.6	38%	0.377	21%	0.214	S	C	.	.			trans	-69.4	137.5	175.4	33.3	-36.7	0	0	0	109.8	D488 R519 Q548	P486-D488 WeakPolarHBondContact CB-OD2 3.38Å; P486-R519 HydrophobicContact CB-CB 4.22Å; P486-R519 HydrophobicContact CB-CG 4.21Å; P486-Q548 PolarHBondContact O-NE2 3.21Å
487	L	96.6	Very high	94.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-102	80.8	-177.7	-175.6	66.8	0	0	0	109.2	W490 R519 M520 Q521 Q548 M549 M602 M606	L487-W490 HydrophobicContact CD1-CB 3.66Å; L487-W490 HydrophobicContact CD1-CD2 4.49Å; L487-W490 HydrophobicContact CD1-CG 3.84Å; L487-W490 HydrophobicContact CD2-CD2 3.72Å; L487-W490 HydrophobicContact CD2-CE3 4.31Å; L487-W490 HydrophobicContact CD2-CG 3.87Å; L487-W490 HydrophobicContact CD2-CZ2 4.26Å; L487-W490 HydrophobicContact CG-CB 4.05Å; L487-W490 HydrophobicContact CG-CD2 4.07Å; L487-W490 HydrophobicContact CG-CG 3.64Å; L487-R519 PolarHBondContact N-O 3.41Å; L487-M520 HydrophobicContact CB-CB 4.43Å; L487-M520 HydrophobicContact CB-CG 4.16Å; L487-M520 HydrophobicContact CD2-CB 4.41Å; L487-M520 HydrophobicContact CD2-CE 4.39Å; L487-M520 HydrophobicContact CD2-CG 3.94Å; L487-M520 HydrophobicContact CD2-SD 4.13Å; L487-Q521 PolarHBondContact O-N 3.07Å; L487-Q548 HydrophobicContact CD1-CB 4.26Å; L487-M549 HydrophobicContact CD1-CB 3.89Å; L487-M602 HydrophobicContact CD2-CE 3.55Å; L487-M606 HydrophobicContact CB-CE 4.26Å; L487-M606 HydrophobicContact CD1-CE 4.14Å; L487-M606 HydrophobicContact CD1-SD 3.65Å
488	D	96.2	Very high	95.3	Very high	59 Å²	59	40 Å²	40	32%	0.316	21%	0.212	S	C	.	.			trans	-94.5	-38.2	-176.3	-61.3	-81	0	0	0	113.1	P486 R519 Q521	P486-D488 WeakPolarHBondContact CB-OD2 3.38Å; D488-R519 IonicContact OD1-CZ 3.64Å; D488-R519 IonicContact OD1-NE 2.65Å; D488-R519 PolarHBondContact OD1-NE 2.69Å; D488-R519 IonicContact OD1-NH2 3.17Å; D488-R519 PolarHBondContact OD1-NH2 3.1Å; D488-R519 VanDerWaalsContact OD1-NH2 3.16Å; D488-Q521 HydrophobicContact CB-CG 3.86Å; D488-Q521 WeakPolarHBondContact OD1-CG 3.49Å; D488-Q521 PolarHBondContact OD1-NE2 3.4Å
489	N	96.9	Very high	95.7	Very high	47 Å²	47	40.1 Å²	40.1	25%	0.251	21%	0.205	S	C	.	.	S	Bend	trans	-116.9	102.5	176.6	-175.6	-3.8	0	0	0	111.8	Q546 Q548	N489-Q546 PolarHBondContact ND2-O 2.85Å; N489-Q548 WeakPolarHBondContact O-CB 3.27Å; N489-Q548 PolarHBondContact O-N 2.78Å
490	W	98	Very high	95.8	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.008	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	156.8	-179.6	68.6	-66.4	0	0	0	113.4	L487 L506 L509 Q521 P523 I524 M549 V551 M602	L487-W490 HydrophobicContact CD1-CB 3.66Å; L487-W490 HydrophobicContact CD1-CD2 4.49Å; L487-W490 HydrophobicContact CD1-CG 3.84Å; L487-W490 HydrophobicContact CD2-CD2 3.72Å; L487-W490 HydrophobicContact CD2-CE3 4.31Å; L487-W490 HydrophobicContact CD2-CG 3.87Å; L487-W490 HydrophobicContact CD2-CZ2 4.26Å; L487-W490 HydrophobicContact CG-CB 4.05Å; L487-W490 HydrophobicContact CG-CD2 4.07Å; L487-W490 HydrophobicContact CG-CG 3.64Å; W490-L506 HydrophobicContact CH2-CD1 3.88Å; W490-L506 HydrophobicContact CZ2-CD1 4.07Å; W490-L509 HydrophobicContact CH2-CD1 4.18Å; W490-Q521 PolarHBondContact NE1-O 3.42Å; W490-P523 HydrophobicContact CD2-CB 3.63Å; W490-P523 HydrophobicContact CD2-CG 4.4Å; W490-P523 HydrophobicContact CE3-CB 3.85Å; W490-P523 HydrophobicContact CE3-CG 4.47Å; W490-P523 HydrophobicContact CG-CB 4.14Å; W490-P523 HydrophobicContact CH2-CB 4.16Å; W490-P523 HydrophobicContact CH2-CG 3.91Å; W490-P523 HydrophobicContact CZ2-CB 3.95Å; W490-P523 HydrophobicContact CZ2-CG 3.8Å; W490-P523 HydrophobicContact CZ3-CB 4.09Å; W490-P523 HydrophobicContact CZ3-CG 4.22Å; W490-P523 VanDerWaalsContact O-CA 3.23Å; W490-P523 WeakPolarHBondContact O-CA 3.49Å; W490-P523 WeakPolarHBondContact O-CB 3.12Å; W490-I524 PolarHBondContact O-N 2.99Å; W490-M549 WeakPolarHBondContact CA-O 3.39Å; W490-M549 HydrophobicContact CB-CB 4.25Å; W490-M549 WeakPolarHBondContact CB-O 3.48Å; W490-V551 HydrophobicContact CE3-CB 4.38Å; W490-V551 HydrophobicContact CE3-CG2 3.67Å; W490-V551 HydrophobicContact CZ3-CB 4.09Å; W490-V551 HydrophobicContact CZ3-CG2 3.54Å; W490-M602 HydrophobicContact CE3-CE 4.29Å; W490-M602 HydrophobicContact CH2-CE 4.36Å; W490-M602 HydrophobicContact CZ3-CE 4.05Å
491	L	98.6	Very high	95.8	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	139.5	-174	-51.6	-179.6	0	0	0	111.4	F493 I524 N542 V543 T547 M549 V551	L491-F493 HydrophobicContact CB-CD2 4.1Å; L491-F493 HydrophobicContact CB-CE2 3.62Å; L491-F493 HydrophobicContact CD1-CE2 3.76Å; L491-F493 HydrophobicContact CD1-CZ 4.11Å; L491-F493 HydrophobicContact CG-CE2 4.36Å; L491-I524 WeakPolarHBondContact CA-O 3.39Å; L491-I524 HydrophobicContact CD2-CB 3.72Å; L491-I524 HydrophobicContact CD2-CD1 4.04Å; L491-I524 HydrophobicContact CD2-CG1 4.29Å; L491-I524 HydrophobicContact CD2-CG2 4.38Å; L491-N542 HydrophobicContact CD1-CB 4.16Å; L491-N542 WeakPolarHBondContact CD1-O 3.38Å; L491-V543 HydrophobicContact CD1-CB 4.48Å; L491-V543 HydrophobicContact CD1-CG2 3.86Å; L491-T547 HydrophobicContact CD1-CG2 3.98Å; L491-T547 HydrophobicContact CG-CG2 3.82Å; L491-M549 PolarHBondContact N-O 3.37Å; L491-V551 PolarHBondContact O-N 3.46Å
492	L	98.4	Very high	95.8	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.016	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	102.8	173.2	178.9	61.2	0	0	0	110.4	A502 L506 P523 I524 I525 I526 V551 V553	L492-A502 HydrophobicContact CD2-CB 4.42Å; L492-L506 HydrophobicContact CD2-CB 4.17Å; L492-L506 HydrophobicContact CD2-CD1 4.39Å; L492-L506 HydrophobicContact CD2-CD2 4.2Å; L492-L506 HydrophobicContact CD2-CG 4.49Å; L492-P523 HydrophobicContact CB-CB 3.91Å; L492-P523 HydrophobicContact CB-CG 3.85Å; L492-P523 HydrophobicContact CD2-CG 4.25Å; L492-I524 PolarHBondContact N-O 2.9Å; L492-I525 WeakPolarHBondContact O-CA 3.3Å; L492-I526 PolarHBondContact O-N 3Å; L492-V551 WeakPolarHBondContact CA-O 3.39Å; L492-V551 HydrophobicContact CD1-CB 3.93Å; L492-V551 HydrophobicContact CD1-CG1 3.75Å; L492-V553 HydrophobicContact CD1-CG2 4.12Å
493	F	98.4	Very high	95.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	132.8	176.6	-70.8	-102.5	0	0	0	111.1	L491 I526 F528 A538 L539 N542 V543 V550 V551 V552 V553	L491-F493 HydrophobicContact CB-CD2 4.1Å; L491-F493 HydrophobicContact CB-CE2 3.62Å; L491-F493 HydrophobicContact CD1-CE2 3.76Å; L491-F493 HydrophobicContact CD1-CZ 4.11Å; L491-F493 HydrophobicContact CG-CE2 4.36Å; F493-I526 VanDerWaalsContact CA-O 3.29Å; F493-I526 WeakPolarHBondContact CA-O 3.31Å; F493-I526 HydrophobicContact CD1-CB 3.75Å; F493-I526 HydrophobicContact CD1-CG2 3.7Å; F493-I526 HydrophobicContact CE1-CB 3.78Å; F493-I526 HydrophobicContact CE1-CG1 4.17Å; F493-I526 HydrophobicContact CE1-CG2 3.52Å; F493-I526 HydrophobicContact CE2-CG1 4.46Å; F493-I526 HydrophobicContact CG-CB 4.19Å; F493-I526 HydrophobicContact CZ-CB 4.23Å; F493-I526 HydrophobicContact CZ-CG1 4.13Å; F493-I526 HydrophobicContact CZ-CG2 4.3Å; F493-F528 HydrophobicContact CB-CD1 4.07Å; F493-F528 HydrophobicContact CB-CE1 4.03Å; F493-F528 HydrophobicContact CD1-CD1 4.36Å; F493-A538 HydrophobicContact CD1-CB 4.34Å; F493-A538 HydrophobicContact CE1-CB 3.85Å; F493-L539 HydrophobicContact CD2-CD2 4.27Å; F493-L539 HydrophobicContact CE1-CD2 4.17Å; F493-L539 HydrophobicContact CE1-CG 4.45Å; F493-L539 HydrophobicContact CE2-CD2 3.83Å; F493-L539 HydrophobicContact CZ-CD2 3.78Å; F493-L539 HydrophobicContact CZ-CG 4.45Å; F493-N542 HydrophobicContact CZ-CB 4.19Å; F493-V543 HydrophobicContact CE2-CG2 4.43Å; F493-V543 HydrophobicContact CZ-CG2 4.33Å; F493-V550 HydrophobicContact CD2-CG1 3.62Å; F493-V550 HydrophobicContact CE2-CG1 3.64Å; F493-V551 PolarHBondContact N-O 3.24Å; F493-V552 HydrophobicContact CB-CB 4.41Å; F493-V552 HydrophobicContact CB-CG1 4.09Å; F493-V552 HydrophobicContact CB-CG2 4.21Å; F493-V553 PolarHBondContact O-N 2.99Å
494	H	97.3	Very high	95.8	Very high	12 Å²	12	47.2 Å²	47.2	6%	0.056	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	155.4	168.9	67.8	81.6	0	0	0	111.8	A502 I525 I526 E527 F528 V553	H494-A502 HydrophobicContact CB-CB 3.7Å; H494-I525 WeakPolarHBondContact NE2-CG2 3.22Å; H494-I526 PolarHBondContact N-O 2.97Å; H494-E527 IonicContact CE1-OE2 3.62Å; H494-E527 PolarHBondContact CE1-OE2 3.17Å; H494-E527 WeakPolarHBondContact O-CA 3.13Å; H494-F528 WeakPolarHBondContact O-CD1 3.23Å; H494-F528 WeakPolarHBondContact O-CE1 3.49Å; H494-F528 PolarHBondContact O-N 2.83Å; H494-V553 HydrophobicContact CB-CB 4.12Å
495	S	94.7	Very high	95.9	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.014	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	153.9	165.3	80.8	0	0	0	0	110.8	R497 N498 S499 F528 P555	S495-R497 PolarHBondContact O-N 2.93Å; S495-R497 VanDerWaalsContact O-N 3.13Å; S495-R497 VanDerWaalsContact OG-CG 3.26Å; S495-R497 WeakPolarHBondContact OG-CG 3.46Å; S495-N498 PolarHBondContact O-N 2.94Å; S495-N498 PolarHBondContact OG-OD1 3.34Å; S495-S499 PolarHBondContact O-N 3.24Å; S495-F528 VanDerWaalsContact CA-O 3.3Å; S495-F528 WeakPolarHBondContact CA-O 3.4Å; S495-P555 VanDerWaalsContact OG-CG 3.3Å; S495-P555 WeakPolarHBondContact OG-CG 3.25Å
496	R	90.9	Very high	95.9	Very high	200 Å²	200	44.6 Å²	44.6	76%	0.755	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-47.3	-43.4	179	-165.2	165.6	-175.3	177.1	0.4	113.6	N498 S499 E527	R496-N498 PolarHBondContact O-N 3.36Å; R496-S499 PolarHBondContact O-N 2.85Å; R496-E527 VanDerWaalsContact CA-CD 3.49Å; R496-E527 VanDerWaalsContact CA-OE2 3.3Å; R496-E527 WeakPolarHBondContact CA-OE2 3.39Å; R496-E527 VanDerWaalsContact CB-CD 3.48Å; R496-E527 HydrophobicContact CB-CG 4.22Å; R496-E527 VanDerWaalsContact CB-OE1 3.22Å; R496-E527 WeakPolarHBondContact CB-OE1 3.1Å; R496-E527 WeakPolarHBondContact CD-OE1 3.39Å; R496-E527 WeakPolarHBondContact CG-OE1 3.39Å; R496-E527 IonicContact NE-OE1 3.37Å
497	R	93.1	Very high	95.9	Very high	162 Å²	162	46.6 Å²	46.6	61%	0.611	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-71.6	-4.4	179.4	64.8	168.2	176.1	176.8	-4.5	115.9	S495 D530	S495-R497 PolarHBondContact O-N 2.93Å; S495-R497 VanDerWaalsContact O-N 3.13Å; S495-R497 VanDerWaalsContact OG-CG 3.26Å; S495-R497 WeakPolarHBondContact OG-CG 3.46Å; R497-D530 IonicContact CZ-OD2 3.89Å; R497-D530 IonicContact NE-OD2 3.48Å; R497-D530 IonicContact NH2-OD2 2.61Å; R497-D530 PolarHBondContact NH2-OD2 3.01Å
498	N	94.4	Very high	95.9	Very high	14 Å²	14	47.2 Å²	47.2	8%	0.075	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-126.8	20.2	178.8	-66.4	117.9	0	0	0	113.6	S495 R496 N500 E501 A502 V553 P555 A582	S495-N498 PolarHBondContact O-N 2.94Å; S495-N498 PolarHBondContact OG-OD1 3.34Å; R496-N498 PolarHBondContact O-N 3.36Å; N498-N500 PolarHBondContact O-N 2.84Å; N498-E501 PolarHBondContact ND2-OE2 2.9Å; N498-E501 PolarHBondContact O-N 2.98Å; N498-A502 WeakPolarHBondContact O-CB 3.3Å; N498-A502 PolarHBondContact O-N 3.25Å; N498-V553 HydrophobicContact CB-CG1 4.16Å; N498-P555 WeakPolarHBondContact OD1-CA 3.27Å; N498-P555 WeakPolarHBondContact OD1-CB 3.25Å; N498-P555 VanDerWaalsContact OD1-CG 3.23Å; N498-P555 WeakPolarHBondContact OD1-CG 3.48Å; N498-A582 HydrophobicContact CB-CB 4.39Å; N498-A582 WeakPolarHBondContact ND2-CB 3.28Å
499	S	94.8	Very high	95.9	Very high	51 Å²	51	44.4 Å²	44.4	36%	0.357	21%	0.211	S	C	.	.	H	α-helix	trans	-52.7	-42.9	169.7	179.5	0	0	0	0	111.6	S495 R496 E501 A502 Q503	S495-S499 PolarHBondContact O-N 3.24Å; R496-S499 PolarHBondContact O-N 2.85Å; S499-E501 PolarHBondContact O-N 3.38Å; S499-A502 PolarHBondContact O-N 3.47Å; S499-Q503 WeakPolarHBondContact O-CB 3.37Å; S499-Q503 PolarHBondContact O-N 3.29Å
500	N	94.7	Very high	95.8	Very high	132 Å²	132	45.6 Å²	45.6	71%	0.706	22%	0.215	S	C	*	.	H	α-helix	trans	-60.6	-45.4	176.9	-70.6	-14.1	0	0	0	113.4	N498 S504	N498-N500 PolarHBondContact O-N 2.84Å; N500-S504 VanDerWaalsContact O-CB 3.28Å; N500-S504 WeakPolarHBondContact O-CB 3.36Å; N500-S504 PolarHBondContact O-N 3.12Å; N500-S504 PolarHBondContact O-OG 2.81Å
501	E	95.7	Very high	95.6	Very high	38 Å²	38	52.5 Å²	52.5	18%	0.178	25%	0.245	C	C	.	.	H	α-helix	trans	-66.3	-38.7	173.7	-81.9	92.4	177.3	0	0	112.8	N498 S499 S504 L505 V553 A582 L585 S586	N498-E501 PolarHBondContact ND2-OE2 2.9Å; N498-E501 PolarHBondContact O-N 2.98Å; S499-E501 PolarHBondContact O-N 3.38Å; E501-S504 PolarHBondContact O-N 3.38Å; E501-L505 WeakPolarHBondContact O-CB 3.4Å; E501-L505 PolarHBondContact O-N 3.49Å; E501-V553 HydrophobicContact CB-CG1 4.45Å; E501-A582 HydrophobicContact CB-CB 4.4Å; E501-A582 HydrophobicContact CG-CB 4.12Å; E501-L585 HydrophobicContact CB-CB 4.14Å; E501-L585 HydrophobicContact CB-CD1 3.97Å; E501-L585 HydrophobicContact CG-CB 3.94Å; E501-S586 PolarHBondContact OE1-OG 3.44Å
502	A	96.2	Very high	95.4	Very high	2 Å²	2	53.1 Å²	53.1	2%	0.017	25%	0.249	C	C	.	.	H	α-helix	trans	-64.2	-46.3	179.1	0	0	0	0	0	111.5	L492 H494 N498 S499 L505 L506 V553	L492-A502 HydrophobicContact CD2-CB 4.42Å; H494-A502 HydrophobicContact CB-CB 3.7Å; N498-A502 WeakPolarHBondContact O-CB 3.3Å; N498-A502 PolarHBondContact O-N 3.25Å; S499-A502 PolarHBondContact O-N 3.47Å; A502-L505 PolarHBondContact O-N 2.96Å; A502-L506 WeakPolarHBondContact O-CB 3.2Å; A502-L506 PolarHBondContact O-N 2.88Å; A502-V553 HydrophobicContact CB-CG2 3.95Å
503	Q	95.8	Very high	95.2	Very high	89 Å²	89	53.3 Å²	53.3	42%	0.416	25%	0.25	S	S	.	.	H	α-helix	trans	-65.8	-39.3	175.7	-177.3	66.3	-29.2	0	0	111.8	S499 L505 L506 Q507	S499-Q503 WeakPolarHBondContact O-CB 3.37Å; S499-Q503 PolarHBondContact O-N 3.29Å; Q503-L505 PolarHBondContact O-N 3.43Å; Q503-L506 PolarHBondContact O-N 2.9Å; Q503-Q507 WeakPolarHBondContact O-CB 3.32Å; Q503-Q507 WeakPolarHBondContact O-CG 3.45Å; Q503-Q507 PolarHBondContact O-N 3.49Å
504	S	95.6	Very high	95	Very high	47 Å²	47	55.8 Å²	55.8	33%	0.329	28%	0.276	S	S	.	.	H	α-helix	trans	-62.7	-41.7	174.6	-61.5	0	0	0	0	112.3	N500 E501 T508	N500-S504 VanDerWaalsContact O-CB 3.28Å; N500-S504 WeakPolarHBondContact O-CB 3.36Å; N500-S504 PolarHBondContact O-N 3.12Å; N500-S504 PolarHBondContact O-OG 2.81Å; E501-S504 PolarHBondContact O-N 3.38Å; S504-T508 WeakPolarHBondContact O-CB 3.44Å; S504-T508 PolarHBondContact O-N 3.43Å; S504-T508 PolarHBondContact O-OG1 2.97Å
505	L	96.8	Very high	94.8	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.9	-48	172.2	173.9	60.5	0	0	0	110.7	E501 A502 Q503 Q507 T508 L509 V553 V580 L585 A595 I598	E501-L505 WeakPolarHBondContact O-CB 3.4Å; E501-L505 PolarHBondContact O-N 3.49Å; A502-L505 PolarHBondContact O-N 2.96Å; Q503-L505 PolarHBondContact O-N 3.43Å; L505-Q507 PolarHBondContact O-N 2.79Å; L505-T508 CarbonylContact O-C 3.6Å; L505-T508 PolarHBondContact O-N 2.92Å; L505-T508 VanDerWaalsContact O-N 3.12Å; L505-L509 HydrophobicContact CD1-CD1 3.91Å; L505-L509 HydrophobicContact CD1-CD2 4.3Å; L505-L509 HydrophobicContact CD1-CG 3.82Å; L505-L509 HydrophobicContact CD2-CD1 4.48Å; L505-L509 HydrophobicContact CG-CD1 3.85Å; L505-L509 HydrophobicContact CG-CG 4.21Å; L505-L509 WeakPolarHBondContact O-CG 3.46Å; L505-L509 PolarHBondContact O-N 3.37Å; L505-V553 HydrophobicContact CD2-CG2 4.4Å; L505-V580 HydrophobicContact CD2-CB 4.49Å; L505-V580 HydrophobicContact CD2-CG1 4.46Å; L505-V580 HydrophobicContact CD2-CG2 4.2Å; L505-L585 HydrophobicContact CB-CD1 3.96Å; L505-L585 HydrophobicContact CB-CD2 4.04Å; L505-L585 HydrophobicContact CD1-CD2 3.91Å; L505-L585 HydrophobicContact CD2-CD1 4.12Å; L505-L585 HydrophobicContact CD2-CD2 4.4Å; L505-L585 HydrophobicContact CG-CD2 4.33Å; L505-A595 HydrophobicContact CD1-CB 4.41Å; L505-I598 HydrophobicContact CD1-CD1 3.96Å
506	L	96.3	Very high	94.7	Very high	14 Å²	14	59 Å²	59	7%	0.073	30%	0.297	C	S	.	.	H	α-helix	trans	-61.3	-47.5	-175.7	-175.9	58	0	0	0	112.7	W490 L492 A502 Q503 T508 L509 H510 P523 I525	W490-L506 HydrophobicContact CH2-CD1 3.88Å; W490-L506 HydrophobicContact CZ2-CD1 4.07Å; L492-L506 HydrophobicContact CD2-CB 4.17Å; L492-L506 HydrophobicContact CD2-CD1 4.39Å; L492-L506 HydrophobicContact CD2-CD2 4.2Å; L492-L506 HydrophobicContact CD2-CG 4.49Å; A502-L506 WeakPolarHBondContact O-CB 3.2Å; A502-L506 PolarHBondContact O-N 2.88Å; Q503-L506 PolarHBondContact O-N 2.9Å; L506-T508 VanDerWaalsContact C-N 3.27Å; L506-T508 PolarHBondContact O-N 2.87Å; L506-L509 PolarHBondContact O-N 3.41Å; L506-H510 PolarHBondContact O-N 3.07Å; L506-H510 PolarHBondContact O-ND1 2.68Å; L506-P523 HydrophobicContact CD1-CG 3.64Å; L506-P523 HydrophobicContact CD2-CG 3.99Å; L506-P523 HydrophobicContact CG-CG 4.49Å; L506-I525 HydrophobicContact CD2-CD1 3.97Å
507	Q	95.5	Very high	94.9	Very high	100 Å²	100	51.4 Å²	51.4	47%	0.467	28%	0.281	S	S	.	.	H	α-helix	trans	-61.2	-36.4	174.3	-70.2	178.5	7.5	0	0	112.1	Q503 L505 K511	Q503-Q507 WeakPolarHBondContact O-CB 3.32Å; Q503-Q507 WeakPolarHBondContact O-CG 3.45Å; Q503-Q507 PolarHBondContact O-N 3.49Å; L505-Q507 PolarHBondContact O-N 2.79Å; Q507-K511 WeakPolarHBondContact O-CG 3.4Å; Q507-K511 PolarHBondContact O-N 3.21Å
508	T	96.4	Very high	95	Very high	13 Å²	13	43.8 Å²	43.8	8%	0.08	25%	0.253	C	S	.	.	H	α-helix	trans	-76.7	-36	-180	-49.8	0	0	0	0	111.8	S504 L505 L506 K511 V512 L591 M592 A595	S504-T508 WeakPolarHBondContact O-CB 3.44Å; S504-T508 PolarHBondContact O-N 3.43Å; S504-T508 PolarHBondContact O-OG1 2.97Å; L505-T508 CarbonylContact O-C 3.6Å; L505-T508 PolarHBondContact O-N 2.92Å; L505-T508 VanDerWaalsContact O-N 3.12Å; L506-T508 VanDerWaalsContact C-N 3.27Å; L506-T508 PolarHBondContact O-N 2.87Å; T508-K511 PolarHBondContact O-N 2.92Å; T508-V512 HydrophobicContact CG2-CG1 4.44Å; T508-V512 WeakPolarHBondContact O-CG2 3.34Å; T508-V512 PolarHBondContact O-N 3.3Å; T508-V512 VanDerWaalsContact O-N 3.09Å; T508-L591 HydrophobicContact CG2-CG 4.19Å; T508-L591 WeakPolarHBondContact OG1-CD2 3.45Å; T508-M592 HydrophobicContact CG2-CB 4.37Å; T508-M592 HydrophobicContact CG2-CG 3.96Å; T508-A595 HydrophobicContact CG2-CB 3.47Å; T508-A595 VanDerWaalsContact CG2-CB 3.47Å
509	L	96.6	Very high	95.1	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-58.1	-50.5	173.8	-76.3	172.1	0	0	0	110.9	W490 L505 L506 K511 V512 S513 A595 I598 A599 M602	W490-L509 HydrophobicContact CH2-CD1 4.18Å; L505-L509 HydrophobicContact CD1-CD1 3.91Å; L505-L509 HydrophobicContact CD1-CD2 4.3Å; L505-L509 HydrophobicContact CD1-CG 3.82Å; L505-L509 HydrophobicContact CD2-CD1 4.48Å; L505-L509 HydrophobicContact CG-CD1 3.85Å; L505-L509 HydrophobicContact CG-CG 4.21Å; L505-L509 WeakPolarHBondContact O-CG 3.46Å; L505-L509 PolarHBondContact O-N 3.37Å; L506-L509 PolarHBondContact O-N 3.41Å; L509-K511 VanDerWaalsContact C-N 3.25Å; L509-K511 PolarHBondContact O-N 3.46Å; L509-V512 WeakPolarHBondContact O-CG2 3.47Å; L509-V512 PolarHBondContact O-N 3.02Å; L509-V512 VanDerWaalsContact O-N 3.1Å; L509-S513 VanDerWaalsContact O-CB 3.26Å; L509-S513 WeakPolarHBondContact O-CB 3.3Å; L509-S513 PolarHBondContact O-N 2.92Å; L509-S513 PolarHBondContact O-OG 3.5Å; L509-A595 HydrophobicContact CD2-CB 4.35Å; L509-I598 HydrophobicContact CD2-CB 4.49Å; L509-I598 HydrophobicContact CD2-CG2 4.15Å; L509-A599 HydrophobicContact CD2-CB 3.93Å; L509-M602 HydrophobicContact CD1-SD 4.4Å; L509-M602 HydrophobicContact CD2-SD 4.43Å
510	H	94.2	Very high	95.1	Very high	72 Å²	72	49 Å²	49	33%	0.333	26%	0.264	S	S	.	.	H	α-helix	trans	-57.3	-36.5	176.2	-75.7	77.2	0	0	0	112.9	L506	L506-H510 PolarHBondContact O-N 3.07Å; L506-H510 PolarHBondContact O-ND1 2.68Å
511	K	94	Very high	95.2	Very high	147 Å²	147	46.5 Å²	46.5	64%	0.639	25%	0.249	S	C	*	.	H	α-helix	trans	-71.3	-30	177.9	-73.2	172.5	-177.8	179.3	0	113.7	Q507 T508 L509	Q507-K511 WeakPolarHBondContact O-CG 3.4Å; Q507-K511 PolarHBondContact O-N 3.21Å; T508-K511 PolarHBondContact O-N 2.92Å; L509-K511 VanDerWaalsContact C-N 3.25Å; L509-K511 PolarHBondContact O-N 3.46Å
512	V	94.7	Very high	95.1	Very high	16 Å²	16	54.9 Å²	54.9	10%	0.097	28%	0.279	C	S	.	.	H	α-helix	trans	-99.9	-22.6	-177	-56.5	0	0	0	0	113.9	T508 L509 I516 A595 A599	T508-V512 HydrophobicContact CG2-CG1 4.44Å; T508-V512 WeakPolarHBondContact O-CG2 3.34Å; T508-V512 PolarHBondContact O-N 3.3Å; T508-V512 VanDerWaalsContact O-N 3.09Å; L509-V512 WeakPolarHBondContact O-CG2 3.47Å; L509-V512 PolarHBondContact O-N 3.02Å; L509-V512 VanDerWaalsContact O-N 3.1Å; V512-I516 WeakPolarHBondContact O-CD1 3.29Å; V512-I516 VanDerWaalsContact O-CG1 3.27Å; V512-I516 WeakPolarHBondContact O-CG1 3.29Å; V512-A595 HydrophobicContact CG2-CB 4.21Å; V512-A599 HydrophobicContact CG2-CB 4.39Å
513	S	94.4	Very high	95.2	Very high	7 Å²	7	55.5 Å²	55.5	5%	0.049	28%	0.282	C	S	.	.	H	α-helix	trans	-72.7	-43	-172	69.7	0	0	0	0	112.9	L509 I516 G517 I518	L509-S513 VanDerWaalsContact O-CB 3.26Å; L509-S513 WeakPolarHBondContact O-CB 3.3Å; L509-S513 PolarHBondContact O-N 2.92Å; L509-S513 PolarHBondContact O-OG 3.5Å; S513-I516 CarbonylContact O-C 3.38Å; S513-I516 WeakPolarHBondContact O-CG1 3.37Å; S513-I516 PolarHBondContact O-N 3.16Å; S513-G517 PolarHBondContact O-N 3.5Å; S513-I518 CarbonylContact C-O 3.55Å; S513-I518 VanDerWaalsContact CB-O 3.22Å; S513-I518 WeakPolarHBondContact CB-O 3.36Å; S513-I518 PolarHBondContact O-N 2.71Å; S513-I518 PolarHBondContact OG-O 3.45Å
514	G	92.8	Very high	95.3	Very high	52 Å²	52	56 Å²	56	54%	0.536	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-57.1	-55.6	176.5	0	0	0	0	0	113.3	I516 G517	G514-I516 PolarHBondContact O-N 2.93Å; G514-G517 PolarHBondContact O-N 3.04Å
515	P	92.8	Very high	95.4	Very high	73 Å²	73	57.6 Å²	57.6	47%	0.474	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-62.1	-12.9	178.2	-26.5	36	0	0	0	116	G478	G478-P515 CarbonylContact C-O 3.55Å; G478-P515 VanDerWaalsContact C-O 3.26Å; G478-P515 WeakPolarHBondContact CA-O 3.47Å
516	I	94	Very high	95.4	Very high	9 Å²	9	58.7 Å²	58.7	5%	0.046	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-110.5	14.1	173.8	70.6	-169.2	0	0	0	112.7	P480 V481 V512 S513 G514 I518 T596 A599 L600	P480-I516 WeakPolarHBondContact CA-O 3.37Å; V481-I516 PolarHBondContact N-O 2.82Å; V512-I516 WeakPolarHBondContact O-CD1 3.29Å; V512-I516 VanDerWaalsContact O-CG1 3.27Å; V512-I516 WeakPolarHBondContact O-CG1 3.29Å; S513-I516 CarbonylContact O-C 3.38Å; S513-I516 WeakPolarHBondContact O-CG1 3.37Å; S513-I516 PolarHBondContact O-N 3.16Å; G514-I516 PolarHBondContact O-N 2.93Å; I516-I518 HydrophobicContact CD1-CD1 3.83Å; I516-I518 HydrophobicContact CG1-CD1 3.84Å; I516-I518 HydrophobicContact CG1-CG1 4.06Å; I516-I518 PolarHBondContact O-N 3.31Å; I516-T596 HydrophobicContact CD1-CG2 4.16Å; I516-A599 HydrophobicContact CD1-CB 4.07Å; I516-L600 HydrophobicContact CD1-CD2 4.06Å; I516-L600 HydrophobicContact CD1-CG 4.22Å
517	G	94.4	Very high	95.5	Very high	41 Å²	41	62.6 Å²	62.6	42%	0.423	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	13.7	171.9	0	0	0	0	0	115.6	S513 G514	S513-G517 PolarHBondContact O-N 3.5Å; G514-G517 PolarHBondContact O-N 3.04Å
518	I	95.6	Very high	95.4	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.01	29%	0.294	C	S	.	.			trans	-100.3	105.2	179.9	-52.9	167.7	0	0	0	109.3	V481 A484 S513 I516 M520 A599 L600 A603	V481-I518 HydrophobicContact CG2-CG1 4.33Å; A484-I518 HydrophobicContact CB-CB 4.42Å; A484-I518 HydrophobicContact CB-CG1 3.92Å; A484-I518 HydrophobicContact CB-CG2 4.28Å; S513-I518 CarbonylContact C-O 3.55Å; S513-I518 VanDerWaalsContact CB-O 3.22Å; S513-I518 WeakPolarHBondContact CB-O 3.36Å; S513-I518 PolarHBondContact O-N 2.71Å; S513-I518 PolarHBondContact OG-O 3.45Å; I516-I518 HydrophobicContact CD1-CD1 3.83Å; I516-I518 HydrophobicContact CG1-CD1 3.84Å; I516-I518 HydrophobicContact CG1-CG1 4.06Å; I516-I518 PolarHBondContact O-N 3.31Å; I518-M520 HydrophobicContact CB-CE 4.29Å; I518-M520 HydrophobicContact CG2-CE 3.54Å; I518-M520 HydrophobicContact CG2-CG 4.04Å; I518-M520 PolarHBondContact O-N 2.86Å; I518-A599 HydrophobicContact CD1-CB 4.25Å; I518-L600 HydrophobicContact CD1-CD2 4.44Å; I518-A603 HydrophobicContact CD1-CB 3.82Å; I518-A603 HydrophobicContact CG1-CB 4.26Å
519	R	95.7	Very high	95.2	Very high	155 Å²	155	63.7 Å²	63.7	59%	0.585	32%	0.318	S	S	*	.			trans	-68.8	123.5	172.2	176.4	173.6	163.5	164.8	-5.4	109.8	P486 L487 D488	P486-R519 HydrophobicContact CB-CB 4.22Å; P486-R519 HydrophobicContact CB-CG 4.21Å; L487-R519 PolarHBondContact N-O 3.41Å; D488-R519 IonicContact OD1-CZ 3.64Å; D488-R519 IonicContact OD1-NE 2.65Å; D488-R519 PolarHBondContact OD1-NE 2.69Å; D488-R519 IonicContact OD1-NH2 3.17Å; D488-R519 PolarHBondContact OD1-NH2 3.1Å; D488-R519 VanDerWaalsContact OD1-NH2 3.16Å
520	M	95.2	Very high	94.9	Very high	18 Å²	18	65.8 Å²	65.8	9%	0.089	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-133.8	130.7	175.2	-57.3	-174.2	177	0	0	109.6	L487 I518 A599 M602	L487-M520 HydrophobicContact CB-CB 4.43Å; L487-M520 HydrophobicContact CB-CG 4.16Å; L487-M520 HydrophobicContact CD2-CB 4.41Å; L487-M520 HydrophobicContact CD2-CE 4.39Å; L487-M520 HydrophobicContact CD2-CG 3.94Å; L487-M520 HydrophobicContact CD2-SD 4.13Å; I518-M520 HydrophobicContact CB-CE 4.29Å; I518-M520 HydrophobicContact CG2-CE 3.54Å; I518-M520 HydrophobicContact CG2-CG 4.04Å; I518-M520 PolarHBondContact O-N 2.86Å; M520-A599 HydrophobicContact CE-CB 3.85Å; M520-M602 HydrophobicContact CE-CE 4.26Å
521	Q	95.8	Very high	94.7	Very high	81 Å²	81	65.3 Å²	65.3	38%	0.379	33%	0.33	S	S	.	.			trans	-85.2	176.4	167.1	-58.1	-66.8	0.9	0	0	110.7	L487 D488 W490	L487-Q521 PolarHBondContact O-N 3.07Å; D488-Q521 HydrophobicContact CB-CG 3.86Å; D488-Q521 WeakPolarHBondContact OD1-CG 3.49Å; D488-Q521 PolarHBondContact OD1-NE2 3.4Å; W490-Q521 PolarHBondContact NE1-O 3.42Å
522	R	95.4	Very high	94.5	Very high	214 Å²	214	62 Å²	62	81%	0.808	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-68.1	132.8	169	-64.4	-175	-179.6	-169.6	2.6	110.2
523	P	97.2	Very high	94.5	Very high	14 Å²	14	67.2 Å²	67.2	9%	0.091	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-73.7	159.8	174.2	29.9	-32.8	0	0	0	111.5	W490 L492 L506 I525	W490-P523 HydrophobicContact CD2-CB 3.63Å; W490-P523 HydrophobicContact CD2-CG 4.4Å; W490-P523 HydrophobicContact CE3-CB 3.85Å; W490-P523 HydrophobicContact CE3-CG 4.47Å; W490-P523 HydrophobicContact CG-CB 4.14Å; W490-P523 HydrophobicContact CH2-CB 4.16Å; W490-P523 HydrophobicContact CH2-CG 3.91Å; W490-P523 HydrophobicContact CZ2-CB 3.95Å; W490-P523 HydrophobicContact CZ2-CG 3.8Å; W490-P523 HydrophobicContact CZ3-CB 4.09Å; W490-P523 HydrophobicContact CZ3-CG 4.22Å; W490-P523 VanDerWaalsContact O-CA 3.23Å; W490-P523 WeakPolarHBondContact O-CA 3.49Å; W490-P523 WeakPolarHBondContact O-CB 3.12Å; L492-P523 HydrophobicContact CB-CB 3.91Å; L492-P523 HydrophobicContact CB-CG 3.85Å; L492-P523 HydrophobicContact CD2-CG 4.25Å; L506-P523 HydrophobicContact CD1-CG 3.64Å; L506-P523 HydrophobicContact CD2-CG 3.99Å; L506-P523 HydrophobicContact CG-CG 4.49Å; P523-I525 HydrophobicContact CG-CG1 4.34Å
524	I	97.8	Very high	94.5	Very high	99 Å²	99	68.1 Å²	68.1	51%	0.508	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	123.9	157.7	-53.8	172	0	0	0	107	W490 L491 L492 I526	W490-I524 PolarHBondContact O-N 2.99Å; L491-I524 WeakPolarHBondContact CA-O 3.39Å; L491-I524 HydrophobicContact CD2-CB 3.72Å; L491-I524 HydrophobicContact CD2-CD1 4.04Å; L491-I524 HydrophobicContact CD2-CG1 4.29Å; L491-I524 HydrophobicContact CD2-CG2 4.38Å; L492-I524 PolarHBondContact N-O 2.9Å; I524-I526 HydrophobicContact CG2-CD1 3.9Å
525	I	97.9	Very high	94.6	Very high	82 Å²	82	65.7 Å²	65.7	42%	0.421	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.6	-177.9	-56.7	179.9	0	0	0	108.9	L492 H494 L506 P523	L492-I525 WeakPolarHBondContact O-CA 3.3Å; H494-I525 WeakPolarHBondContact NE2-CG2 3.22Å; L506-I525 HydrophobicContact CD2-CD1 3.97Å; P523-I525 HydrophobicContact CG-CG1 4.34Å
526	I	97.9	Very high	94.8	Very high	23 Å²	23	64.2 Å²	64.2	12%	0.118	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	116.7	-179.2	-53.3	-62.1	0	0	0	109.4	L492 F493 H494 I524 A538 N542	L492-I526 PolarHBondContact O-N 3Å; F493-I526 VanDerWaalsContact CA-O 3.29Å; F493-I526 WeakPolarHBondContact CA-O 3.31Å; F493-I526 HydrophobicContact CD1-CB 3.75Å; F493-I526 HydrophobicContact CD1-CG2 3.7Å; F493-I526 HydrophobicContact CE1-CB 3.78Å; F493-I526 HydrophobicContact CE1-CG1 4.17Å; F493-I526 HydrophobicContact CE1-CG2 3.52Å; F493-I526 HydrophobicContact CE2-CG1 4.46Å; F493-I526 HydrophobicContact CG-CB 4.19Å; F493-I526 HydrophobicContact CZ-CB 4.23Å; F493-I526 HydrophobicContact CZ-CG1 4.13Å; F493-I526 HydrophobicContact CZ-CG2 4.3Å; H494-I526 PolarHBondContact N-O 2.97Å; I524-I526 HydrophobicContact CG2-CD1 3.9Å; I526-A538 HydrophobicContact CG2-CB 4.43Å; I526-N542 HydrophobicContact CD1-CB 4.35Å; I526-N542 WeakPolarHBondContact CD1-OD1 3.21Å; I526-N542 HydrophobicContact CG1-CB 4.39Å
527	E	96.8	Very high	94.9	Very high	96 Å²	96	70.9 Å²	70.9	45%	0.449	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	141.4	169	-172.7	165.1	114.1	0	0	110.6	H494 R496	H494-E527 IonicContact CE1-OE2 3.62Å; H494-E527 PolarHBondContact CE1-OE2 3.17Å; H494-E527 WeakPolarHBondContact O-CA 3.13Å; R496-E527 VanDerWaalsContact CA-CD 3.49Å; R496-E527 VanDerWaalsContact CA-OE2 3.3Å; R496-E527 WeakPolarHBondContact CA-OE2 3.39Å; R496-E527 VanDerWaalsContact CB-CD 3.48Å; R496-E527 HydrophobicContact CB-CG 4.22Å; R496-E527 VanDerWaalsContact CB-OE1 3.22Å; R496-E527 WeakPolarHBondContact CB-OE1 3.1Å; R496-E527 WeakPolarHBondContact CD-OE1 3.39Å; R496-E527 WeakPolarHBondContact CG-OE1 3.39Å; R496-E527 IonicContact NE-OE1 3.37Å
528	F	93.8	Very high	95	Very high	7 Å²	7	69.6 Å²	69.6	3%	0.031	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	153.7	172.2	69.9	-83.7	0	0	0	111.5	F493 H494 S495 L535 A538 V552	F493-F528 HydrophobicContact CB-CD1 4.07Å; F493-F528 HydrophobicContact CB-CE1 4.03Å; F493-F528 HydrophobicContact CD1-CD1 4.36Å; H494-F528 WeakPolarHBondContact O-CD1 3.23Å; H494-F528 WeakPolarHBondContact O-CE1 3.49Å; H494-F528 PolarHBondContact O-N 2.83Å; S495-F528 VanDerWaalsContact CA-O 3.3Å; S495-F528 WeakPolarHBondContact CA-O 3.4Å; F528-L535 HydrophobicContact CD1-CD1 3.97Å; F528-L535 HydrophobicContact CD2-CB 3.62Å; F528-L535 HydrophobicContact CD2-CD1 3.83Å; F528-L535 HydrophobicContact CD2-CG 4.2Å; F528-L535 HydrophobicContact CE1-CD1 3.84Å; F528-L535 HydrophobicContact CE2-CB 3.82Å; F528-L535 HydrophobicContact CE2-CD1 3.75Å; F528-L535 HydrophobicContact CE2-CD2 4.07Å; F528-L535 HydrophobicContact CE2-CG 4.07Å; F528-L535 HydrophobicContact CG-CB 4.39Å; F528-L535 HydrophobicContact CG-CD1 3.98Å; F528-L535 HydrophobicContact CZ-CD1 3.76Å; F528-L535 HydrophobicContact CZ-CD2 4.35Å; F528-L535 HydrophobicContact CZ-CG 4.46Å; F528-A538 HydrophobicContact CB-CB 4.24Å; F528-V552 HydrophobicContact CE1-CG1 4.27Å; F528-V552 HydrophobicContact CZ-CG1 4.38Å
529	E	92.8	Very high	95.1	Very high	128 Å²	128	69.6 Å²	69.6	60%	0.598	33%	0.326	S	S	*	.			trans	-71.7	144.6	171.6	-55.9	179.4	132.7	0	0	110.1	N531 S534	E529-N531 WeakPolarHBondContact CB-ND2 3.35Å; E529-N531 PolarHBondContact O-N 3.06Å; E529-N531 PolarHBondContact OE2-ND2 3.4Å; E529-S534 PolarHBondContact N-OG 3.39Å
530	D	89.6	Confident	95.2	Very high	46 Å²	46	67.2 Å²	67.2	25%	0.246	32%	0.322	C	S	.	.	S	Bend	trans	-76.9	45.1	-173.9	-165.3	34.3	0	0	0	115.1	R497 P555 K561	R497-D530 IonicContact CZ-OD2 3.89Å; R497-D530 IonicContact NE-OD2 3.48Å; R497-D530 IonicContact NH2-OD2 2.61Å; R497-D530 PolarHBondContact NH2-OD2 3.01Å; D530-P555 WeakPolarHBondContact OD1-CG 3.39Å; D530-K561 PolarHBondContact O-NZ 2.92Å; D530-K561 IonicContact OD1-NZ 3.76Å; D530-K561 PolarHBondContact OD1-NZ 3.44Å; D530-K561 IonicContact OD2-NZ 3.43Å; D530-K561 PolarHBondContact OD2-NZ 3.21Å
531	N	90.2	Very high	95.2	Very high	62 Å²	62	74 Å²	74	33%	0.332	35%	0.353	S	S	.	.	S	Bend	trans	-116.8	158.2	168.3	72.1	72.8	0	0	0	110.9	E529 L533 S534 L535	E529-N531 WeakPolarHBondContact CB-ND2 3.35Å; E529-N531 PolarHBondContact O-N 3.06Å; E529-N531 PolarHBondContact OE2-ND2 3.4Å; N531-L533 PolarHBondContact O-N 2.66Å; N531-L533 PolarHBondContact OD1-N 3.4Å; N531-S534 WeakPolarHBondContact ND2-CB 3.27Å; N531-S534 WeakPolarHBondContact OD1-CB 3.43Å; N531-S534 PolarHBondContact OD1-N 3.07Å; N531-L535 PolarHBondContact O-N 3.12Å
532	Q	90.8	Very high	95.3	Very high	77 Å²	77	72.9 Å²	72.9	36%	0.36	35%	0.35	S	S	.	.	H	α-helix	trans	-70.2	-32	-172	-175.3	179.9	0.5	0	0	113.1	L536 D560 K561 S564	Q532-L536 PolarHBondContact O-N 3.32Å; Q532-L536 VanDerWaalsContact O-N 3.16Å; Q532-D560 PolarHBondContact NE2-O 2.8Å; Q532-D560 VanDerWaalsContact NE2-O 3.15Å; Q532-K561 HydrophobicContact CB-CG 4.2Å; Q532-K561 HydrophobicContact CG-CG 4.41Å; Q532-S564 PolarHBondContact NE2-OG 3.47Å
533	L	93.9	Very high	95.4	Very high	125 Å²	125	63.2 Å²	63.2	65%	0.654	31%	0.314	S	S	*	.	H	α-helix	trans	-77.3	-42.1	-177.1	-64.6	174.2	0	0	0	111.7	N531 L536 K537	N531-L533 PolarHBondContact O-N 2.66Å; N531-L533 PolarHBondContact OD1-N 3.4Å; L533-L536 PolarHBondContact O-N 2.64Å; L533-K537 WeakPolarHBondContact O-CB 3.1Å; L533-K537 WeakPolarHBondContact O-CG 3.25Å; L533-K537 PolarHBondContact O-N 3.04Å
534	S	94.4	Very high	95.2	Very high	27 Å²	27	64.1 Å²	64.1	19%	0.189	33%	0.327	C	S	.	.	H	α-helix	trans	-60	-46.4	174.3	-172.8	0	0	0	0	110.9	E529 N531 L536 K537 A538	E529-S534 PolarHBondContact N-OG 3.39Å; N531-S534 WeakPolarHBondContact ND2-CB 3.27Å; N531-S534 WeakPolarHBondContact OD1-CB 3.43Å; N531-S534 PolarHBondContact OD1-N 3.07Å; S534-L536 PolarHBondContact O-N 3.45Å; S534-K537 PolarHBondContact O-N 3.03Å; S534-A538 VanDerWaalsContact O-CB 3.29Å; S534-A538 WeakPolarHBondContact O-CB 3.46Å; S534-A538 PolarHBondContact O-N 3.41Å
535	L	95	Very high	94.8	Very high	1 Å²	1	68.7 Å²	68.7	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-58.4	-43.8	173.3	177.2	59.9	0	0	0	112.9	F528 N531 A538 L539 V552 L554 K561 I565	F528-L535 HydrophobicContact CD1-CD1 3.97Å; F528-L535 HydrophobicContact CD2-CB 3.62Å; F528-L535 HydrophobicContact CD2-CD1 3.83Å; F528-L535 HydrophobicContact CD2-CG 4.2Å; F528-L535 HydrophobicContact CE1-CD1 3.84Å; F528-L535 HydrophobicContact CE2-CB 3.82Å; F528-L535 HydrophobicContact CE2-CD1 3.75Å; F528-L535 HydrophobicContact CE2-CD2 4.07Å; F528-L535 HydrophobicContact CE2-CG 4.07Å; F528-L535 HydrophobicContact CG-CB 4.39Å; F528-L535 HydrophobicContact CG-CD1 3.98Å; F528-L535 HydrophobicContact CZ-CD1 3.76Å; F528-L535 HydrophobicContact CZ-CD2 4.35Å; F528-L535 HydrophobicContact CZ-CG 4.46Å; N531-L535 PolarHBondContact O-N 3.12Å; L535-A538 PolarHBondContact O-N 3.04Å; L535-L539 HydrophobicContact CD1-CD1 4.46Å; L535-L539 HydrophobicContact CD1-CG 4.49Å; L535-L539 HydrophobicContact CG-CD1 4.44Å; L535-L539 WeakPolarHBondContact O-CG 3.25Å; L535-L539 PolarHBondContact O-N 2.8Å; L535-V552 HydrophobicContact CD1-CG1 4.16Å; L535-L554 HydrophobicContact CD2-CD2 4.41Å; L535-K561 HydrophobicContact CD2-CB 4.25Å; L535-K561 HydrophobicContact CD2-CG 4.44Å; L535-I565 HydrophobicContact CD2-CD1 4.06Å; L535-I565 HydrophobicContact CD2-CG1 3.98Å
536	L	96.1	Very high	94.5	Very high	41 Å²	41	72.5 Å²	72.5	22%	0.215	36%	0.362	C	S	.	.	H	α-helix	trans	-67.8	-42.9	179.3	-177.1	60	0	0	0	112.1	Q532 L533 S534 A538 L539 Q540 Y568	Q532-L536 PolarHBondContact O-N 3.32Å; Q532-L536 VanDerWaalsContact O-N 3.16Å; L533-L536 PolarHBondContact O-N 2.64Å; S534-L536 PolarHBondContact O-N 3.45Å; L536-A538 VanDerWaalsContact C-N 3.35Å; L536-A538 PolarHBondContact O-N 3.47Å; L536-L539 PolarHBondContact O-N 2.99Å; L536-Q540 HydrophobicContact CD1-CG 4.46Å; L536-Q540 WeakPolarHBondContact O-CB 3.32Å; L536-Q540 VanDerWaalsContact O-CG 3.29Å; L536-Q540 WeakPolarHBondContact O-CG 3.07Å; L536-Q540 PolarHBondContact O-N 2.97Å; L536-Y568 HydrophobicContact CD1-CD2 4.44Å; L536-Y568 HydrophobicContact CD1-CG 4.05Å
537	K	96.8	Very high	94.5	Very high	149 Å²	149	72 Å²	72	65%	0.648	36%	0.36	S	S	*	.	H	α-helix	trans	-60.7	-43.2	173.7	-74.2	-179.1	176.1	-173	0	111.7	L533 S534 L539 Q540 H541	L533-K537 WeakPolarHBondContact O-CB 3.1Å; L533-K537 WeakPolarHBondContact O-CG 3.25Å; L533-K537 PolarHBondContact O-N 3.04Å; S534-K537 PolarHBondContact O-N 3.03Å; K537-L539 VanDerWaalsContact C-N 3.34Å; K537-L539 PolarHBondContact O-N 3.4Å; K537-Q540 PolarHBondContact O-N 3.12Å; K537-H541 WeakPolarHBondContact O-CB 3.41Å; K537-H541 PolarHBondContact O-N 3.44Å
538	A	96.8	Very high	94.5	Very high	15 Å²	15	70.4 Å²	70.4	12%	0.124	35%	0.352	C	S	.	.	H	α-helix	trans	-64	-37.8	178.1	0	0	0	0	0	111.9	F493 I526 F528 S534 L535 L536 N542	F493-A538 HydrophobicContact CD1-CB 4.34Å; F493-A538 HydrophobicContact CE1-CB 3.85Å; I526-A538 HydrophobicContact CG2-CB 4.43Å; F528-A538 HydrophobicContact CB-CB 4.24Å; S534-A538 VanDerWaalsContact O-CB 3.29Å; S534-A538 WeakPolarHBondContact O-CB 3.46Å; S534-A538 PolarHBondContact O-N 3.41Å; L535-A538 PolarHBondContact O-N 3.04Å; L536-A538 VanDerWaalsContact C-N 3.35Å; L536-A538 PolarHBondContact O-N 3.47Å; A538-N542 WeakPolarHBondContact O-CB 3.43Å; A538-N542 PolarHBondContact O-N 2.97Å; A538-N542 PolarHBondContact O-ND2 3.44Å
539	L	97.3	Very high	94.7	Very high	1 Å²	1	70.1 Å²	70.1	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-63.9	-48.1	170.4	-70.5	168.1	0	0	0	111.5	F493 L535 L536 K537 H541 N542 V543 V550 I565 Y568 L569	F493-L539 HydrophobicContact CD2-CD2 4.27Å; F493-L539 HydrophobicContact CE1-CD2 4.17Å; F493-L539 HydrophobicContact CE1-CG 4.45Å; F493-L539 HydrophobicContact CE2-CD2 3.83Å; F493-L539 HydrophobicContact CZ-CD2 3.78Å; F493-L539 HydrophobicContact CZ-CG 4.45Å; L535-L539 HydrophobicContact CD1-CD1 4.46Å; L535-L539 HydrophobicContact CD1-CG 4.49Å; L535-L539 HydrophobicContact CG-CD1 4.44Å; L535-L539 WeakPolarHBondContact O-CG 3.25Å; L535-L539 PolarHBondContact O-N 2.8Å; L536-L539 PolarHBondContact O-N 2.99Å; K537-L539 VanDerWaalsContact C-N 3.34Å; K537-L539 PolarHBondContact O-N 3.4Å; L539-H541 VanDerWaalsContact C-N 3.28Å; L539-H541 PolarHBondContact O-N 3.35Å; L539-N542 PolarHBondContact O-N 3.08Å; L539-V543 HydrophobicContact CB-CG2 4.34Å; L539-V543 HydrophobicContact CD2-CG2 3.94Å; L539-V543 WeakPolarHBondContact O-CB 3.34Å; L539-V543 WeakPolarHBondContact O-CG2 3.43Å; L539-V543 PolarHBondContact O-N 2.92Å; L539-V550 HydrophobicContact CD2-CG1 3.79Å; L539-I565 HydrophobicContact CD1-CB 4.48Å; L539-I565 HydrophobicContact CD1-CG1 4.1Å; L539-Y568 HydrophobicContact CB-CD1 3.85Å; L539-Y568 HydrophobicContact CB-CE1 3.96Å; L539-Y568 HydrophobicContact CD1-CD1 4.49Å; L539-L569 HydrophobicContact CD2-CD1 4.2Å
540	Q	97.1	Very high	94.9	Very high	105 Å²	105	64 Å²	64	49%	0.491	32%	0.323	S	S	.	.	H	α-helix	trans	-62.9	-30	-178.7	-74.4	170.3	-33.6	0	0	113.9	L536 K537 Y568	L536-Q540 HydrophobicContact CD1-CG 4.46Å; L536-Q540 WeakPolarHBondContact O-CB 3.32Å; L536-Q540 VanDerWaalsContact O-CG 3.29Å; L536-Q540 WeakPolarHBondContact O-CG 3.07Å; L536-Q540 PolarHBondContact O-N 2.97Å; K537-Q540 PolarHBondContact O-N 3.12Å; Q540-Y568 HydrophobicContact CG-CD2 4.22Å; Q540-Y568 HydrophobicContact CG-CE1 4.22Å; Q540-Y568 HydrophobicContact CG-CE2 3.7Å
541	H	97.1	Very high	95.4	Very high	161 Å²	161	61.8 Å²	61.8	75%	0.745	31%	0.311	S	S	*	.	H	α-helix	trans	-84.1	-33.4	179.4	-172.9	71.4	0	0	0	113.5	K537 L539	K537-H541 WeakPolarHBondContact O-CB 3.41Å; K537-H541 PolarHBondContact O-N 3.44Å; L539-H541 VanDerWaalsContact C-N 3.28Å; L539-H541 PolarHBondContact O-N 3.35Å
542	N	97.3	Very high	95.7	Very high	58 Å²	58	58.9 Å²	58.9	31%	0.31	30%	0.295	S	S	.	.	H	α-helix	trans	-107.6	-21	-169.2	-64.2	-86	0	0	0	114.9	L491 F493 I526 A538 L539 G544	L491-N542 HydrophobicContact CD1-CB 4.16Å; L491-N542 WeakPolarHBondContact CD1-O 3.38Å; F493-N542 HydrophobicContact CZ-CB 4.19Å; I526-N542 HydrophobicContact CD1-CB 4.35Å; I526-N542 WeakPolarHBondContact CD1-OD1 3.21Å; I526-N542 HydrophobicContact CG1-CB 4.39Å; A538-N542 WeakPolarHBondContact O-CB 3.43Å; A538-N542 PolarHBondContact O-N 2.97Å; A538-N542 PolarHBondContact O-ND2 3.44Å; L539-N542 PolarHBondContact O-N 3.08Å; N542-G544 PolarHBondContact O-N 2.85Å
543	V	96.9	Very high	96.1	Very high	10 Å²	10	55.2 Å²	55.2	6%	0.061	28%	0.278	C	S	.	.			trans	-86.6	101.2	-176.6	-174.2	0	0	0	0	110.2	L491 F493 L539 T547 V550 L569 T575	L491-V543 HydrophobicContact CD1-CB 4.48Å; L491-V543 HydrophobicContact CD1-CG2 3.86Å; F493-V543 HydrophobicContact CE2-CG2 4.43Å; F493-V543 HydrophobicContact CZ-CG2 4.33Å; L539-V543 HydrophobicContact CB-CG2 4.34Å; L539-V543 HydrophobicContact CD2-CG2 3.94Å; L539-V543 WeakPolarHBondContact O-CB 3.34Å; L539-V543 WeakPolarHBondContact O-CG2 3.43Å; L539-V543 PolarHBondContact O-N 2.92Å; V543-T547 HydrophobicContact CG1-CG2 4.35Å; V543-V550 HydrophobicContact CG1-CG2 3.99Å; V543-V550 HydrophobicContact CG2-CG2 3.73Å; V543-L569 HydrophobicContact CB-CD2 4.47Å; V543-L569 HydrophobicContact CG1-CD2 3.98Å; V543-L569 HydrophobicContact CG2-CD2 4.19Å; V543-T575 HydrophobicContact CG1-CG2 4.45Å
544	G	92.8	Very high	96.1	Very high	34 Å²	34	49.5 Å²	49.5	35%	0.351	25%	0.248	S	C	.	.			trans	-99.9	173.1	-180	0	0	0	0	0	113.9	N542 Q546 T547	N542-G544 PolarHBondContact O-N 2.85Å; G544-Q546 PolarHBondContact O-N 3.44Å; G544-Q546 VanDerWaalsContact O-N 3.12Å; G544-T547 PolarHBondContact N-OG1 2.99Å; G544-T547 WeakPolarHBondContact O-CB 3.26Å; G544-T547 PolarHBondContact O-N 2.87Å; G544-T547 PolarHBondContact O-OG1 3.2Å
545	Q	88.8	Confident	96	Very high	194 Å²	194	49.1 Å²	49.1	91%	0.907	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.2	-178.8	-60.4	-170.2	19.8	0	0	114.3
546	Q	92.6	Very high	95.8	Very high	163 Å²	163	52.4 Å²	52.4	76%	0.762	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-6.3	176.3	-64.9	-174.6	-4.6	0	0	113.7	N489 G544 Q548	N489-Q546 PolarHBondContact ND2-O 2.85Å; G544-Q546 PolarHBondContact O-N 3.44Å; G544-Q546 VanDerWaalsContact O-N 3.12Å; Q546-Q548 PolarHBondContact O-N 3.08Å
547	T	96.8	Very high	95.4	Very high	13 Å²	13	55.5 Å²	55.5	8%	0.08	29%	0.287	C	S	.	.			trans	-72.5	113.6	-179.6	-58	0	0	0	0	110.2	L491 V543 G544 M549 V550 T575	L491-T547 HydrophobicContact CD1-CG2 3.98Å; L491-T547 HydrophobicContact CG-CG2 3.82Å; V543-T547 HydrophobicContact CG1-CG2 4.35Å; G544-T547 PolarHBondContact N-OG1 2.99Å; G544-T547 WeakPolarHBondContact O-CB 3.26Å; G544-T547 PolarHBondContact O-N 2.87Å; G544-T547 PolarHBondContact O-OG1 3.2Å; T547-M549 WeakPolarHBondContact CG2-O 3.44Å; T547-V550 HydrophobicContact CG2-CG2 4.08Å; T547-T575 HydrophobicContact CG2-CG2 4.17Å; T547-T575 WeakPolarHBondContact O-CG2 3.45Å
548	Q	96.9	Very high	95.1	Very high	62 Å²	62	50.9 Å²	50.9	29%	0.29	27%	0.27	S	S	.	.			trans	-76.8	-33.3	-178.3	-58.7	175.6	-79	0	0	112.5	P486 L487 N489 Q546 M606	P486-Q548 PolarHBondContact O-NE2 3.21Å; L487-Q548 HydrophobicContact CD1-CB 4.26Å; N489-Q548 WeakPolarHBondContact O-CB 3.27Å; N489-Q548 PolarHBondContact O-N 2.78Å; Q546-Q548 PolarHBondContact O-N 3.08Å; Q548-M606 HydrophobicContact CB-SD 4.48Å
549	M	97.9	Very high	94.7	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	148.2	178.8	-175.3	157.4	-71	0	0	113.3	L487 W490 L491 T547 V551 P576 Q578 M602 K605 M606	L487-M549 HydrophobicContact CD1-CB 3.89Å; W490-M549 WeakPolarHBondContact CA-O 3.39Å; W490-M549 HydrophobicContact CB-CB 4.25Å; W490-M549 WeakPolarHBondContact CB-O 3.48Å; L491-M549 PolarHBondContact N-O 3.37Å; T547-M549 WeakPolarHBondContact CG2-O 3.44Å; M549-V551 HydrophobicContact CG-CG2 4.19Å; M549-V551 HydrophobicContact SD-CG2 4.37Å; M549-P576 WeakPolarHBondContact CA-O 3.48Å; M549-P576 HydrophobicContact CE-CB 3.64Å; M549-P576 WeakPolarHBondContact CG-O 3.49Å; M549-Q578 HydrophobicContact SD-CB 4.48Å; M549-M602 HydrophobicContact CE-CB 4.24Å; M549-M602 WeakPolarHBondContact CE-O 3.46Å; M549-M602 HydrophobicContact SD-CB 3.71Å; M549-M602 HydrophobicContact SD-CE 3.83Å; M549-M602 HydrophobicContact SD-CG 3.58Å; M549-M602 VanDerWaalsContact SD-CG 3.58Å; M549-M602 HydrophobicContact SD-SD 4.46Å; M549-K605 HydrophobicContact CE-CB 3.74Å; M549-M606 HydrophobicContact CE-CG 3.66Å; M549-M606 HydrophobicContact CE-SD 4.17Å
550	V	98.6	Very high	94.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	120.7	168	-177.9	0	0	0	0	110.7	F493 L539 V543 T547 V552 L569 T575 P576 S577 Q578	F493-V550 HydrophobicContact CD2-CG1 3.62Å; F493-V550 HydrophobicContact CE2-CG1 3.64Å; L539-V550 HydrophobicContact CD2-CG1 3.79Å; V543-V550 HydrophobicContact CG1-CG2 3.99Å; V543-V550 HydrophobicContact CG2-CG2 3.73Å; T547-V550 HydrophobicContact CG2-CG2 4.08Å; V550-V552 HydrophobicContact CG1-CG2 3.9Å; V550-L569 HydrophobicContact CB-CD1 3.73Å; V550-L569 HydrophobicContact CG1-CD1 3.92Å; V550-L569 HydrophobicContact CG2-CD1 3.95Å; V550-L569 HydrophobicContact CG2-CD2 4.35Å; V550-T575 HydrophobicContact CG2-CG2 3.97Å; V550-P576 PolarHBondContact N-O 3.21Å; V550-S577 CarbonylContact O-C 3.57Å; V550-S577 VanDerWaalsContact O-CA 3.25Å; V550-S577 WeakPolarHBondContact O-CA 3.29Å; V550-Q578 PolarHBondContact O-N 3.49Å
551	V	98.5	Very high	94.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	132.4	172.3	-175.1	0	0	0	0	109.1	W490 L491 L492 F493 M549 Q578 M602	W490-V551 HydrophobicContact CE3-CB 4.38Å; W490-V551 HydrophobicContact CE3-CG2 3.67Å; W490-V551 HydrophobicContact CZ3-CB 4.09Å; W490-V551 HydrophobicContact CZ3-CG2 3.54Å; L491-V551 PolarHBondContact O-N 3.46Å; L492-V551 WeakPolarHBondContact CA-O 3.39Å; L492-V551 HydrophobicContact CD1-CB 3.93Å; L492-V551 HydrophobicContact CD1-CG1 3.75Å; F493-V551 PolarHBondContact N-O 3.24Å; M549-V551 HydrophobicContact CG-CG2 4.19Å; M549-V551 HydrophobicContact SD-CG2 4.37Å; V551-Q578 CarbonylContact C-O 3.55Å; V551-Q578 WeakPolarHBondContact CA-O 3.29Å; V551-Q578 HydrophobicContact CG1-CB 4.5Å; V551-Q578 HydrophobicContact CG2-CB 4.21Å; V551-M602 HydrophobicContact CG2-CE 3.82Å; V551-M602 HydrophobicContact CG2-SD 4.27Å
552	V	98.3	Very high	94.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	118.6	-177.9	-169.6	0	0	0	0	111	F493 F528 L535 V550 L554 I565 Q578 C579 V580	F493-V552 HydrophobicContact CB-CB 4.41Å; F493-V552 HydrophobicContact CB-CG1 4.09Å; F493-V552 HydrophobicContact CB-CG2 4.21Å; F528-V552 HydrophobicContact CE1-CG1 4.27Å; F528-V552 HydrophobicContact CZ-CG1 4.38Å; L535-V552 HydrophobicContact CD1-CG1 4.16Å; V550-V552 HydrophobicContact CG1-CG2 3.9Å; V552-L554 HydrophobicContact CG1-CD2 4.09Å; V552-L554 HydrophobicContact CG1-CG 4.3Å; V552-L554 PolarHBondContact O-N 2.95Å; V552-I565 HydrophobicContact CB-CD1 4.07Å; V552-I565 HydrophobicContact CG1-CD1 3.9Å; V552-I565 HydrophobicContact CG2-CD1 4.07Å; V552-I565 HydrophobicContact CG2-CG1 4.46Å; V552-I565 HydrophobicContact CG2-CG2 4.35Å; V552-Q578 PolarHBondContact N-O 3.28Å; V552-C579 WeakPolarHBondContact O-CA 3.22Å; V552-V580 PolarHBondContact O-N 3Å
553	V	97.6	Very high	94	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	99.4	172.3	-177.4	0	0	0	0	109.1	L492 F493 H494 N498 E501 A502 L505 V580 A582 L585	L492-V553 HydrophobicContact CD1-CG2 4.12Å; F493-V553 PolarHBondContact O-N 2.99Å; H494-V553 HydrophobicContact CB-CB 4.12Å; N498-V553 HydrophobicContact CB-CG1 4.16Å; E501-V553 HydrophobicContact CB-CG1 4.45Å; A502-V553 HydrophobicContact CB-CG2 3.95Å; L505-V553 HydrophobicContact CD2-CG2 4.4Å; V553-V580 CarbonylContact C-O 3.55Å; V553-V580 WeakPolarHBondContact CA-O 3.34Å; V553-A582 HydrophobicContact CG1-CB 4.22Å; V553-L585 HydrophobicContact CG1-CD1 4.32Å
554	L	95.4	Very high	94	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.026	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	129.7	178.6	-70.9	175	0	0	0	110.5	L535 V552 N556 K561 I565 C579 V580 V581 A582	L535-L554 HydrophobicContact CD2-CD2 4.41Å; V552-L554 HydrophobicContact CG1-CD2 4.09Å; V552-L554 HydrophobicContact CG1-CG 4.3Å; V552-L554 PolarHBondContact O-N 2.95Å; L554-N556 VanDerWaalsContact C-N 3.28Å; L554-N556 PolarHBondContact O-N 3.22Å; L554-K561 HydrophobicContact CD2-CB 4.19Å; L554-I565 HydrophobicContact CD1-CD1 4.33Å; L554-I565 HydrophobicContact CD2-CD1 4Å; L554-I565 HydrophobicContact CG-CD1 4.43Å; L554-C579 HydrophobicContact CD1-CB 4.01Å; L554-V580 PolarHBondContact N-O 3.27Å; L554-V581 CarbonylContact O-C 3.6Å; L554-V581 VanDerWaalsContact O-CA 3.29Å; L554-V581 WeakPolarHBondContact O-CA 3.47Å; L554-A582 PolarHBondContact O-N 3.32Å
555	P	92.5	Very high	94.2	Very high	19 Å²	19	46 Å²	46	12%	0.123	23%	0.234	C	C	.	.	S	Bend	trans	-65	-31.5	-178.5	-27.7	39.6	0	0	0	113.6	S495 N498 D530	S495-P555 VanDerWaalsContact OG-CG 3.3Å; S495-P555 WeakPolarHBondContact OG-CG 3.25Å; N498-P555 WeakPolarHBondContact OD1-CA 3.27Å; N498-P555 WeakPolarHBondContact OD1-CB 3.25Å; N498-P555 VanDerWaalsContact OD1-CG 3.23Å; N498-P555 WeakPolarHBondContact OD1-CG 3.48Å; D530-P555 WeakPolarHBondContact OD1-CG 3.39Å
556	N	90.5	Very high	94.6	Very high	71 Å²	71	36.9 Å²	36.9	38%	0.38	19%	0.192	S	C	.	.	S	Bend	trans	-143.4	-178.4	179.8	63.1	29.6	0	0	0	110.7	L554 N558	L554-N556 VanDerWaalsContact C-N 3.28Å; L554-N556 PolarHBondContact O-N 3.22Å; N556-N558 VanDerWaalsContact C-N 3.31Å; N556-N558 PolarHBondContact O-N 2.98Å; N556-N558 WeakPolarHBondContact OD1-CB 3.5Å; N556-N558 PolarHBondContact OD1-N 2.85Å
557	S	87.7	Confident	94.8	Very high	105 Å²	105	32.9 Å²	32.9	73%	0.734	17%	0.172	S	C	*	.			trans	-93	40.5	177	61.4	0	0	0	0	113	K559	S557-K559 PolarHBondContact O-N 3.03Å
558	N	89	Confident	94.8	Very high	53 Å²	53	33.6 Å²	33.6	28%	0.283	17%	0.173	S	C	.	.			trans	-61.4	130.6	169.9	169.2	-87.2	0	0	0	109.8	N556 D560 K561	N556-N558 VanDerWaalsContact C-N 3.31Å; N556-N558 PolarHBondContact O-N 2.98Å; N556-N558 WeakPolarHBondContact OD1-CB 3.5Å; N556-N558 PolarHBondContact OD1-N 2.85Å; N558-D560 PolarHBondContact ND2-OD2 2.91Å; N558-D560 PolarHBondContact OD1-N 2.86Å; N558-D560 VanDerWaalsContact OD1-N 3.13Å; N558-K561 HydrophobicContact CB-CD 4.42Å; N558-K561 WeakPolarHBondContact OD1-CB 3.08Å; N558-K561 WeakPolarHBondContact OD1-CG 3.42Å; N558-K561 PolarHBondContact OD1-N 3.02Å
559	K	88.3	Confident	94.8	Very high	81 Å²	81	30.7 Å²	30.7	35%	0.352	16%	0.159	S	C	.	.	H	α-helix	trans	-77.1	-36.7	-174.9	175.8	161.5	165.8	44.8	0	112.3	S557 K561 Y562 D563 Q838	S557-K559 PolarHBondContact O-N 3.03Å; K559-K561 PolarHBondContact O-N 3.35Å; K559-Y562 WeakPolarHBondContact O-CB 3.37Å; K559-Y562 PolarHBondContact O-N 2.85Å; K559-Y562 VanDerWaalsContact O-N 3.16Å; K559-D563 WeakPolarHBondContact CE-OD2 3.38Å; K559-D563 IonicContact NZ-OD1 2.73Å; K559-D563 PolarHBondContact NZ-OD1 3.37Å; K559-D563 IonicContact NZ-OD2 2.95Å; K559-D563 PolarHBondContact NZ-OD2 3.49Å; K559-D563 WeakPolarHBondContact O-CB 3.49Å; K559-D563 VanDerWaalsContact O-CG 3.3Å; K559-D563 PolarHBondContact O-N 2.97Å; K559-Q838 PolarHBondContact NZ-O 3.29Å
560	D	90.8	Very high	94.8	Very high	79 Å²	79	30.7 Å²	30.7	42%	0.422	16%	0.16	S	C	.	.	H	α-helix	trans	-66.4	-40.3	-172.9	-39.7	-72.4	0	0	0	111.6	Q532 N558 D563 S564	Q532-D560 PolarHBondContact NE2-O 2.8Å; Q532-D560 VanDerWaalsContact NE2-O 3.15Å; N558-D560 PolarHBondContact ND2-OD2 2.91Å; N558-D560 PolarHBondContact OD1-N 2.86Å; N558-D560 VanDerWaalsContact OD1-N 3.13Å; D560-D563 PolarHBondContact O-N 2.85Å; D560-S564 WeakPolarHBondContact O-CB 3.34Å; D560-S564 PolarHBondContact O-N 3.19Å; D560-S564 PolarHBondContact O-OG 3.03Å
561	K	93.8	Very high	94.7	Very high	18 Å²	18	32 Å²	32	8%	0.078	17%	0.166	C	C	.	.	H	α-helix	trans	-62	-45.9	170.8	-71.9	173.5	179.4	174.7	0	112.1	D530 Q532 L535 L554 N558 K559 S564 I565	D530-K561 PolarHBondContact O-NZ 2.92Å; D530-K561 IonicContact OD1-NZ 3.76Å; D530-K561 PolarHBondContact OD1-NZ 3.44Å; D530-K561 IonicContact OD2-NZ 3.43Å; D530-K561 PolarHBondContact OD2-NZ 3.21Å; Q532-K561 HydrophobicContact CB-CG 4.2Å; Q532-K561 HydrophobicContact CG-CG 4.41Å; L535-K561 HydrophobicContact CD2-CB 4.25Å; L535-K561 HydrophobicContact CD2-CG 4.44Å; L554-K561 HydrophobicContact CD2-CB 4.19Å; N558-K561 HydrophobicContact CB-CD 4.42Å; N558-K561 WeakPolarHBondContact OD1-CB 3.08Å; N558-K561 WeakPolarHBondContact OD1-CG 3.42Å; N558-K561 PolarHBondContact OD1-N 3.02Å; K559-K561 PolarHBondContact O-N 3.35Å; K561-S564 PolarHBondContact O-N 3.29Å; K561-I565 WeakPolarHBondContact O-CD1 3.5Å; K561-I565 VanDerWaalsContact O-CG1 3.29Å; K561-I565 WeakPolarHBondContact O-CG1 3.18Å; K561-I565 PolarHBondContact O-N 2.83Å; K561-I565 VanDerWaalsContact O-N 3.07Å
562	Y	95.8	Very high	94.5	Very high	72 Å²	72	37.1 Å²	37.1	28%	0.282	19%	0.194	S	C	.	.	H	α-helix	trans	-61.9	-44.4	176.4	178.4	-92.6	0	0	0	111.8	K559 I565 K566 C579 L835	K559-Y562 WeakPolarHBondContact O-CB 3.37Å; K559-Y562 PolarHBondContact O-N 2.85Å; K559-Y562 VanDerWaalsContact O-N 3.16Å; Y562-I565 PolarHBondContact O-N 3.31Å; Y562-K566 HydrophobicContact CD1-CG 4.37Å; Y562-K566 HydrophobicContact CE1-CG 3.91Å; Y562-K566 HydrophobicContact CE2-CG 4.19Å; Y562-K566 WeakPolarHBondContact O-CB 3.29Å; Y562-K566 WeakPolarHBondContact O-CG 3.42Å; Y562-K566 PolarHBondContact O-N 3.19Å; Y562-C579 HydrophobicContact CD2-CB 3.94Å; Y562-C579 HydrophobicContact CE2-CB 4.02Å; Y562-L835 HydrophobicContact CE1-CD1 4.09Å
563	D	95.3	Very high	94.4	Very high	13 Å²	13	38 Å²	38	7%	0.07	20%	0.199	C	C	.	.	H	α-helix	trans	-65.9	-38.9	178.1	-72.3	1.9	0	0	0	111.6	K559 D560 K566 K567 S839	K559-D563 WeakPolarHBondContact CE-OD2 3.38Å; K559-D563 IonicContact NZ-OD1 2.73Å; K559-D563 PolarHBondContact NZ-OD1 3.37Å; K559-D563 IonicContact NZ-OD2 2.95Å; K559-D563 PolarHBondContact NZ-OD2 3.49Å; K559-D563 WeakPolarHBondContact O-CB 3.49Å; K559-D563 VanDerWaalsContact O-CG 3.3Å; K559-D563 PolarHBondContact O-N 2.97Å; D560-D563 PolarHBondContact O-N 2.85Å; D563-K566 PolarHBondContact O-N 2.81Å; D563-K567 WeakPolarHBondContact O-CB 3.19Å; D563-K567 WeakPolarHBondContact O-CD 3.44Å; D563-K567 WeakPolarHBondContact O-CG 3.43Å; D563-K567 PolarHBondContact O-N 2.7Å; D563-S839 WeakPolarHBondContact OD1-CA 3.29Å; D563-S839 WeakPolarHBondContact OD1-CB 3.45Å; D563-S839 PolarHBondContact OD1-OG 3.3Å
564	S	96	Very high	94.3	Very high	18 Å²	18	39.6 Å²	39.6	13%	0.126	21%	0.21	C	C	.	.	H	α-helix	trans	-62.1	-47.1	173.5	-82.8	0	0	0	0	112.3	Q532 D560 K561 K566 K567 Y568	Q532-S564 PolarHBondContact NE2-OG 3.47Å; D560-S564 WeakPolarHBondContact O-CB 3.34Å; D560-S564 PolarHBondContact O-N 3.19Å; D560-S564 PolarHBondContact O-OG 3.03Å; K561-S564 PolarHBondContact O-N 3.29Å; S564-K566 VanDerWaalsContact C-N 3.32Å; S564-K566 PolarHBondContact O-N 2.87Å; S564-K567 PolarHBondContact O-N 2.83Å; S564-Y568 PolarHBondContact O-N 2.81Å; S564-Y568 VanDerWaalsContact O-N 3.12Å
565	I	97.3	Very high	94.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-56.5	-49.3	174.3	-61.9	158.5	0	0	0	109.8	L535 L539 V552 L554 K561 Y562 L569	L535-I565 HydrophobicContact CD2-CD1 4.06Å; L535-I565 HydrophobicContact CD2-CG1 3.98Å; L539-I565 HydrophobicContact CD1-CB 4.48Å; L539-I565 HydrophobicContact CD1-CG1 4.1Å; V552-I565 HydrophobicContact CB-CD1 4.07Å; V552-I565 HydrophobicContact CG1-CD1 3.9Å; V552-I565 HydrophobicContact CG2-CD1 4.07Å; V552-I565 HydrophobicContact CG2-CG1 4.46Å; V552-I565 HydrophobicContact CG2-CG2 4.35Å; L554-I565 HydrophobicContact CD1-CD1 4.33Å; L554-I565 HydrophobicContact CD2-CD1 4Å; L554-I565 HydrophobicContact CG-CD1 4.43Å; K561-I565 WeakPolarHBondContact O-CD1 3.5Å; K561-I565 VanDerWaalsContact O-CG1 3.29Å; K561-I565 WeakPolarHBondContact O-CG1 3.18Å; K561-I565 PolarHBondContact O-N 2.83Å; K561-I565 VanDerWaalsContact O-N 3.07Å; Y562-I565 PolarHBondContact O-N 3.31Å; I565-L569 HydrophobicContact CG2-CD1 3.72Å; I565-L569 HydrophobicContact CG2-CG 4.4Å; I565-L569 VanDerWaalsContact O-CB 3.31Å; I565-L569 WeakPolarHBondContact O-CB 3.33Å; I565-L569 WeakPolarHBondContact O-CG 3.47Å; I565-L569 PolarHBondContact O-N 3.44Å
566	K	97.3	Very high	94.7	Very high	3 Å²	3	39.3 Å²	39.3	1%	0.013	21%	0.208	C	C	.	.	H	α-helix	trans	-76.5	-23.7	-173.8	-72.1	-64.2	-177.2	-175	0	114.7	Y562 D563 S564 C570 S577 L835 I840	Y562-K566 HydrophobicContact CD1-CG 4.37Å; Y562-K566 HydrophobicContact CE1-CG 3.91Å; Y562-K566 HydrophobicContact CE2-CG 4.19Å; Y562-K566 WeakPolarHBondContact O-CB 3.29Å; Y562-K566 WeakPolarHBondContact O-CG 3.42Å; Y562-K566 PolarHBondContact O-N 3.19Å; D563-K566 PolarHBondContact O-N 2.81Å; S564-K566 VanDerWaalsContact C-N 3.32Å; S564-K566 PolarHBondContact O-N 2.87Å; K566-C570 WeakPolarHBondContact O-CB 3.43Å; K566-C570 PolarHBondContact O-N 3.41Å; K566-C570 PolarHBondContact O-SG 2.88Å; K566-C570 VanDerWaalsContact O-SG 3.35Å; K566-S577 PolarHBondContact NZ-O 2.93Å; K566-S577 PolarHBondContact NZ-OG 2.74Å; K566-L835 HydrophobicContact CB-CD1 4.42Å; K566-L835 HydrophobicContact CD-CD1 4.41Å; K566-L835 HydrophobicContact CG-CD1 4.18Å; K566-I840 HydrophobicContact CB-CG1 4.44Å
567	K	96.1	Very high	95	Very high	79 Å²	79	36 Å²	36	34%	0.343	19%	0.191	S	C	.	.	H	α-helix	trans	-68.7	-59.9	167.7	-73.8	164.6	-169.5	172.9	0	109.6	D563 S564 L569 C570 L571 S839	D563-K567 WeakPolarHBondContact O-CB 3.19Å; D563-K567 WeakPolarHBondContact O-CD 3.44Å; D563-K567 WeakPolarHBondContact O-CG 3.43Å; D563-K567 PolarHBondContact O-N 2.7Å; S564-K567 PolarHBondContact O-N 2.83Å; K567-L569 PolarHBondContact O-N 2.61Å; K567-C570 PolarHBondContact O-N 2.86Å; K567-L571 HydrophobicContact CB-CD1 4.25Å; K567-L571 VanDerWaalsContact O-CB 3.25Å; K567-L571 WeakPolarHBondContact O-CB 3.39Å; K567-L571 VanDerWaalsContact O-CG 3.25Å; K567-L571 WeakPolarHBondContact O-CG 3.42Å; K567-L571 PolarHBondContact O-N 3.36Å; K567-S839 WeakPolarHBondContact CE-O 3.37Å
568	Y	97.5	Very high	95.5	Very high	28 Å²	28	31.3 Å²	31.3	11%	0.11	16%	0.157	C	C	.	.	H	α-helix	trans	-57.9	-50	-175	-177.6	-112.7	0	0	0	112.1	L536 L539 Q540 S564 C570 D572 C573	L536-Y568 HydrophobicContact CD1-CD2 4.44Å; L536-Y568 HydrophobicContact CD1-CG 4.05Å; L539-Y568 HydrophobicContact CB-CD1 3.85Å; L539-Y568 HydrophobicContact CB-CE1 3.96Å; L539-Y568 HydrophobicContact CD1-CD1 4.49Å; Q540-Y568 HydrophobicContact CG-CD2 4.22Å; Q540-Y568 HydrophobicContact CG-CE1 4.22Å; Q540-Y568 HydrophobicContact CG-CE2 3.7Å; S564-Y568 PolarHBondContact O-N 2.81Å; S564-Y568 VanDerWaalsContact O-N 3.12Å; Y568-C570 VanDerWaalsContact C-N 3.29Å; Y568-C570 PolarHBondContact O-N 3.39Å; Y568-D572 WeakPolarHBondContact CA-OD2 3.5Å; Y568-D572 HydrophobicContact CD2-CB 3.75Å; Y568-D572 HydrophobicContact CE2-CB 3.87Å; Y568-D572 PolarHBondContact O-N 2.89Å; Y568-C573 HydrophobicContact CE1-CB 3.82Å; Y568-C573 HydrophobicContact CE2-CB 4.16Å; Y568-C573 PolarHBondContact O-N 3.17Å; Y568-C573 WeakPolarHBondContact OH-CB 3.34Å
569	L	97.8	Very high	95.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-79.8	-1.7	-175.1	-59.1	-177.4	0	0	0	115.4	L539 V543 V550 I565 K567 C573 T575	L539-L569 HydrophobicContact CD2-CD1 4.2Å; V543-L569 HydrophobicContact CB-CD2 4.47Å; V543-L569 HydrophobicContact CG1-CD2 3.98Å; V543-L569 HydrophobicContact CG2-CD2 4.19Å; V550-L569 HydrophobicContact CB-CD1 3.73Å; V550-L569 HydrophobicContact CG1-CD1 3.92Å; V550-L569 HydrophobicContact CG2-CD1 3.95Å; V550-L569 HydrophobicContact CG2-CD2 4.35Å; I565-L569 HydrophobicContact CG2-CD1 3.72Å; I565-L569 HydrophobicContact CG2-CG 4.4Å; I565-L569 VanDerWaalsContact O-CB 3.31Å; I565-L569 WeakPolarHBondContact O-CB 3.33Å; I565-L569 WeakPolarHBondContact O-CG 3.47Å; I565-L569 PolarHBondContact O-N 3.44Å; K567-L569 PolarHBondContact O-N 2.61Å; L569-C573 CarbonylContact C-O 3.58Å; L569-C573 VanDerWaalsContact CA-O 3.23Å; L569-C573 WeakPolarHBondContact CA-O 3.46Å; L569-T575 PolarHBondContact O-N 2.89Å
570	C	97	Very high	96.4	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.007	14%	0.138	C	C	.	.	H	α-helix	trans	-119.3	-3.2	174.6	-57.3	0	0	0	0	113.7	K566 K567 Y568 I840 P844 N845 L848 F853	K566-C570 WeakPolarHBondContact O-CB 3.43Å; K566-C570 PolarHBondContact O-N 3.41Å; K566-C570 PolarHBondContact O-SG 2.88Å; K566-C570 VanDerWaalsContact O-SG 3.35Å; K567-C570 PolarHBondContact O-N 2.86Å; Y568-C570 VanDerWaalsContact C-N 3.29Å; Y568-C570 PolarHBondContact O-N 3.39Å; C570-I840 HydrophobicContact CB-CD1 3.75Å; C570-P844 HydrophobicContact CB-CB 4.48Å; C570-P844 CarbonylContact O-C 3.6Å; C570-P844 VanDerWaalsContact O-CA 3.27Å; C570-P844 WeakPolarHBondContact O-CA 3.39Å; C570-N845 PolarHBondContact O-N 3.37Å; C570-L848 HydrophobicContact CB-CD1 4.12Å; C570-F853 HydrophobicContact CB-CE2 4.45Å
571	L	95.5	Very high	96.6	Very high	27 Å²	27	24.9 Å²	24.9	14%	0.141	13%	0.13	C	C	.	.	H	α-helix	trans	-122.8	-63.9	-178.6	-59.9	172.4	0	0	0	110.5	K567 I840 K842 Q843 N845	K567-L571 HydrophobicContact CB-CD1 4.25Å; K567-L571 VanDerWaalsContact O-CB 3.25Å; K567-L571 WeakPolarHBondContact O-CB 3.39Å; K567-L571 VanDerWaalsContact O-CG 3.25Å; K567-L571 WeakPolarHBondContact O-CG 3.42Å; K567-L571 PolarHBondContact O-N 3.36Å; L571-I840 HydrophobicContact CD1-CG2 3.83Å; L571-I840 HydrophobicContact CD2-CG2 3.77Å; L571-I840 HydrophobicContact CG-CG2 3.81Å; L571-K842 HydrophobicContact CD1-CB 4.22Å; L571-K842 HydrophobicContact CD1-CD 3.99Å; L571-K842 HydrophobicContact CD2-CB 3.8Å; L571-Q843 WeakPolarHBondContact CD2-O 3.41Å; L571-N845 PolarHBondContact O-ND2 3.17Å
572	D	94.8	Very high	96.6	Very high	107 Å²	107	24.1 Å²	24.1	57%	0.572	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-42.2	-162.1	-43.7	-52.8	0	0	0	111.5	Y568	Y568-D572 WeakPolarHBondContact CA-OD2 3.5Å; Y568-D572 HydrophobicContact CD2-CB 3.75Å; Y568-D572 HydrophobicContact CE2-CB 3.87Å; Y568-D572 PolarHBondContact O-N 2.89Å
573	C	95.9	Very high	96.5	Very high	18 Å²	18	30.1 Å²	30.1	12%	0.122	15%	0.149	C	C	.	.	S	Bend	trans	-125.9	90.3	171.1	-166.2	0	0	0	0	109.1	Y568 L569 T575	Y568-C573 HydrophobicContact CE1-CB 3.82Å; Y568-C573 HydrophobicContact CE2-CB 4.16Å; Y568-C573 PolarHBondContact O-N 3.17Å; Y568-C573 WeakPolarHBondContact OH-CB 3.34Å; L569-C573 CarbonylContact C-O 3.58Å; L569-C573 VanDerWaalsContact CA-O 3.23Å; L569-C573 WeakPolarHBondContact CA-O 3.46Å; C573-T575 PolarHBondContact O-N 2.96Å; C573-T575 PolarHBondContact O-OG1 3.07Å
574	P	96.2	Very high	96.2	Very high	35 Å²	35	31.9 Å²	31.9	23%	0.227	16%	0.161	C	C	.	.			trans	-72	95.9	-167.2	28.1	-35.8	0	0	0	112.7	N845 K847 L848	P574-N845 HydrophobicContact CB-CB 3.77Å; P574-N845 HydrophobicContact CG-CB 4.3Å; P574-K847 HydrophobicContact CB-CB 4.22Å; P574-K847 HydrophobicContact CG-CB 4.09Å; P574-K847 HydrophobicContact CG-CD 3.96Å; P574-K847 HydrophobicContact CG-CG 4.47Å; P574-L848 HydrophobicContact CB-CD1 4.15Å; P574-L848 HydrophobicContact CB-CD2 4.36Å; P574-L848 HydrophobicContact CB-CG 3.98Å
575	T	97.6	Very high	96.1	Very high	6 Å²	6	31.3 Å²	31.3	4%	0.037	16%	0.156	C	C	.	.			trans	-135.5	127.3	-174.5	-52.3	0	0	0	0	111.3	V543 T547 V550 L569 C573 S577	V543-T575 HydrophobicContact CG1-CG2 4.45Å; T547-T575 HydrophobicContact CG2-CG2 4.17Å; T547-T575 WeakPolarHBondContact O-CG2 3.45Å; V550-T575 HydrophobicContact CG2-CG2 3.97Å; L569-T575 PolarHBondContact O-N 2.89Å; C573-T575 PolarHBondContact O-N 2.96Å; C573-T575 PolarHBondContact O-OG1 3.07Å; T575-S577 PolarHBondContact O-N 3.38Å
576	P	97.6	Very high	95.6	Very high	12 Å²	12	34.3 Å²	34.3	8%	0.078	18%	0.178	C	C	.	.			trans	-48.5	134.5	171.3	-31.6	38.2	0	0	0	113	M549 V550 K605	M549-P576 WeakPolarHBondContact CA-O 3.48Å; M549-P576 HydrophobicContact CE-CB 3.64Å; M549-P576 WeakPolarHBondContact CG-O 3.49Å; V550-P576 PolarHBondContact N-O 3.21Å; P576-K605 HydrophobicContact CB-CB 4.26Å; P576-K605 WeakPolarHBondContact CB-O 3.36Å; P576-K605 VanDerWaalsContact CG-O 3.3Å; P576-K605 WeakPolarHBondContact CG-O 3.23Å
577	S	98.2	Very high	95.1	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.007	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	138.6	-169.7	46.4	0	0	0	0	116	V550 K566 T575 K605	V550-S577 CarbonylContact O-C 3.57Å; V550-S577 VanDerWaalsContact O-CA 3.25Å; V550-S577 WeakPolarHBondContact O-CA 3.29Å; K566-S577 PolarHBondContact NZ-O 2.93Å; K566-S577 PolarHBondContact NZ-OG 2.74Å; T575-S577 PolarHBondContact O-N 3.38Å; S577-K605 PolarHBondContact O-NZ 2.71Å; S577-K605 VanDerWaalsContact O-NZ 3.15Å
578	Q	98.2	Very high	94.4	Very high	7 Å²	7	42 Å²	42	3%	0.033	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	109.1	-172.4	-176.3	61.6	16.3	0	0	111.5	M549 V550 V551 V552 V580 I598 M602	M549-Q578 HydrophobicContact SD-CB 4.48Å; V550-Q578 PolarHBondContact O-N 3.49Å; V551-Q578 CarbonylContact C-O 3.55Å; V551-Q578 WeakPolarHBondContact CA-O 3.29Å; V551-Q578 HydrophobicContact CG1-CB 4.5Å; V551-Q578 HydrophobicContact CG2-CB 4.21Å; V552-Q578 PolarHBondContact N-O 3.28Å; Q578-V580 HydrophobicContact CG-CG2 4.24Å; Q578-I598 HydrophobicContact CG-CG2 4.11Å; Q578-M602 HydrophobicContact CB-CG 4.26Å; Q578-M602 HydrophobicContact CG-CG 4.05Å
579	C	97.8	Very high	93.9	Very high	28 Å²	28	50.4 Å²	50.4	19%	0.189	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	130.1	178.1	-50.4	0	0	0	0	110.3	V552 L554 Y562	V552-C579 WeakPolarHBondContact O-CA 3.22Å; L554-C579 HydrophobicContact CD1-CB 4.01Å; Y562-C579 HydrophobicContact CD2-CB 3.94Å; Y562-C579 HydrophobicContact CE2-CB 4.02Å
580	V	97.1	Very high	93.5	Very high	7 Å²	7	52.2 Å²	52.2	4%	0.042	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	121.9	-178.1	-172.3	0	0	0	0	109.4	L505 V552 V553 L554 Q578 L585 I598	L505-V580 HydrophobicContact CD2-CB 4.49Å; L505-V580 HydrophobicContact CD2-CG1 4.46Å; L505-V580 HydrophobicContact CD2-CG2 4.2Å; V552-V580 PolarHBondContact O-N 3Å; V553-V580 CarbonylContact C-O 3.55Å; V553-V580 WeakPolarHBondContact CA-O 3.34Å; L554-V580 PolarHBondContact N-O 3.27Å; Q578-V580 HydrophobicContact CG-CG2 4.24Å; V580-L585 HydrophobicContact CG1-CD1 3.83Å; V580-L585 HydrophobicContact CG1-CD2 3.94Å; V580-L585 HydrophobicContact CG1-CG 3.9Å; V580-I598 HydrophobicContact CG1-CD1 3.93Å; V580-I598 HydrophobicContact CG2-CD1 3.93Å
581	V	95.2	Very high	93.3	Very high	43 Å²	43	53 Å²	53	26%	0.261	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	124.7	177.3	179.3	0	0	0	0	109.8	L554 R583 T584	L554-V581 CarbonylContact O-C 3.6Å; L554-V581 VanDerWaalsContact O-CA 3.29Å; L554-V581 WeakPolarHBondContact O-CA 3.47Å; V581-R583 VanDerWaalsContact C-N 3.3Å; V581-R583 HydrophobicContact CG1-CB 4.45Å; V581-R583 PolarHBondContact O-N 2.81Å; V581-R583 VanDerWaalsContact O-N 3.15Å; V581-T584 WeakPolarHBondContact O-CB 3.45Å; V581-T584 PolarHBondContact O-N 3.2Å; V581-T584 PolarHBondContact O-OG1 3.16Å
582	A	94.8	Very high	93.2	Very high	2 Å²	2	57.7 Å²	57.7	2%	0.017	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-48.8	-44.1	-173.4	0	0	0	0	0	113.9	N498 E501 V553 L554 T584 L585 S586	N498-A582 HydrophobicContact CB-CB 4.39Å; N498-A582 WeakPolarHBondContact ND2-CB 3.28Å; E501-A582 HydrophobicContact CB-CB 4.4Å; E501-A582 HydrophobicContact CG-CB 4.12Å; V553-A582 HydrophobicContact CG1-CB 4.22Å; L554-A582 PolarHBondContact O-N 3.32Å; A582-T584 PolarHBondContact O-N 3.13Å; A582-L585 WeakPolarHBondContact O-CA 3.3Å; A582-L585 WeakPolarHBondContact O-CB 3.42Å; A582-L585 PolarHBondContact O-N 3.45Å; A582-S586 PolarHBondContact O-N 2.95Å; A582-S586 PolarHBondContact O-OG 3.38Å; A582-S586 VanDerWaalsContact O-OG 3.06Å
583	R	92.8	Very high	93.1	Very high	197 Å²	197	56.8 Å²	56.8	74%	0.743	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-55.1	-14.9	175.2	-166.3	179.2	-175.8	-162.7	4.4	115	V581	V581-R583 VanDerWaalsContact C-N 3.3Å; V581-R583 HydrophobicContact CG1-CB 4.45Å; V581-R583 PolarHBondContact O-N 2.81Å; V581-R583 VanDerWaalsContact O-N 3.15Å
584	T	90.6	Very high	93	Very high	51 Å²	51	57.4 Å²	57.4	31%	0.313	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-79.6	-28.8	173.4	-39.5	0	0	0	0	112	V581 A582 V594	V581-T584 WeakPolarHBondContact O-CB 3.45Å; V581-T584 PolarHBondContact O-N 3.2Å; V581-T584 PolarHBondContact O-OG1 3.16Å; A582-T584 PolarHBondContact O-N 3.13Å; T584-V594 HydrophobicContact CG2-CG1 4.04Å; T584-V594 HydrophobicContact CG2-CG2 4.3Å
585	L	92.5	Very high	93	Very high	5 Å²	5	55.8 Å²	55.8	3%	0.026	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-30.9	-176.3	-56.3	170.8	0	0	0	112.1	E501 L505 V553 V580 A582 R587 L591 V594	E501-L585 HydrophobicContact CB-CB 4.14Å; E501-L585 HydrophobicContact CB-CD1 3.97Å; E501-L585 HydrophobicContact CG-CB 3.94Å; L505-L585 HydrophobicContact CB-CD1 3.96Å; L505-L585 HydrophobicContact CB-CD2 4.04Å; L505-L585 HydrophobicContact CD1-CD2 3.91Å; L505-L585 HydrophobicContact CD2-CD1 4.12Å; L505-L585 HydrophobicContact CD2-CD2 4.4Å; L505-L585 HydrophobicContact CG-CD2 4.33Å; V553-L585 HydrophobicContact CG1-CD1 4.32Å; V580-L585 HydrophobicContact CG1-CD1 3.83Å; V580-L585 HydrophobicContact CG1-CD2 3.94Å; V580-L585 HydrophobicContact CG1-CG 3.9Å; A582-L585 WeakPolarHBondContact O-CA 3.3Å; A582-L585 WeakPolarHBondContact O-CB 3.42Å; A582-L585 PolarHBondContact O-N 3.45Å; L585-R587 PolarHBondContact O-N 2.85Å; L585-L591 HydrophobicContact CB-CD1 4.2Å; L585-L591 HydrophobicContact CD2-CD1 3.7Å; L585-V594 HydrophobicContact CD2-CG1 4.22Å
586	S	86.4	Confident	92.9	Very high	64 Å²	64	57.4 Å²	57.4	45%	0.448	30%	0.302	S	S	.	.	S	Bend	trans	-67	33.1	177.6	-24.1	0	0	0	0	114.5	E501 A582	E501-S586 PolarHBondContact OE1-OG 3.44Å; A582-S586 PolarHBondContact O-N 2.95Å; A582-S586 PolarHBondContact O-OG 3.38Å; A582-S586 VanDerWaalsContact O-OG 3.06Å
587	R	86.6	Confident	92.8	Very high	129 Å²	129	60.8 Å²	60.8	49%	0.487	32%	0.315	S	S	.	.			trans	-139.2	84.2	179.4	-70.5	-176.2	174	-177.4	-2.4	110.4	L585 Q589 A590 L591	L585-R587 PolarHBondContact O-N 2.85Å; R587-Q589 VanDerWaalsContact C-N 3.32Å; R587-Q589 PolarHBondContact O-N 3.15Å; R587-Q589 VanDerWaalsContact O-N 3.16Å; R587-A590 HydrophobicContact CB-CB 4.37Å; R587-A590 PolarHBondContact O-N 3.16Å; R587-L591 PolarHBondContact O-N 3.49Å
588	P	83.2	Confident	92.8	Very high	113 Å²	113	61.4 Å²	61.4	73%	0.734	32%	0.318	S	S	*	.	H	α-helix	trans	-51	-45.1	-172.5	-30.4	36.1	0	0	0	114.4	A590 L591	P588-A590 PolarHBondContact O-N 3.25Å; P588-L591 WeakPolarHBondContact O-CB 3.33Å; P588-L591 PolarHBondContact O-N 3.3Å
589	Q	86.2	Confident	92.7	Very high	206 Å²	206	61 Å²	61	96%	0.963	32%	0.317	S	S	*	.	H	α-helix	trans	-58.5	-18.2	178.4	-65.2	178.3	-4.3	0	0	115.1	R587	R587-Q589 VanDerWaalsContact C-N 3.32Å; R587-Q589 PolarHBondContact O-N 3.15Å; R587-Q589 VanDerWaalsContact O-N 3.16Å
590	A	89.9	Confident	92.7	Very high	37 Å²	37	59.9 Å²	59.9	31%	0.306	31%	0.309	S	S	.	.	H	α-helix	trans	-111.7	-9.1	178.5	0	0	0	0	0	113.2	R587 P588 M592 T593 V594	R587-A590 HydrophobicContact CB-CB 4.37Å; R587-A590 PolarHBondContact O-N 3.16Å; P588-A590 PolarHBondContact O-N 3.25Å; A590-M592 PolarHBondContact O-N 3.33Å; A590-T593 PolarHBondContact O-N 3.44Å; A590-V594 WeakPolarHBondContact O-CG2 3.23Å; A590-V594 PolarHBondContact O-N 3.2Å
591	L	92.9	Very high	92.7	Very high	19 Å²	19	60.9 Å²	60.9	10%	0.099	31%	0.313	C	S	.	.	H	α-helix	trans	-63	-42	-166.3	-177.5	59.3	0	0	0	112.5	T508 L585 R587 P588 V594 A595	T508-L591 HydrophobicContact CG2-CG 4.19Å; T508-L591 WeakPolarHBondContact OG1-CD2 3.45Å; L585-L591 HydrophobicContact CB-CD1 4.2Å; L585-L591 HydrophobicContact CD2-CD1 3.7Å; R587-L591 PolarHBondContact O-N 3.49Å; P588-L591 WeakPolarHBondContact O-CB 3.33Å; P588-L591 PolarHBondContact O-N 3.3Å; L591-V594 PolarHBondContact O-N 3.27Å; L591-A595 VanDerWaalsContact O-CB 3.31Å; L591-A595 WeakPolarHBondContact O-CB 3.3Å; L591-A595 PolarHBondContact O-N 2.76Å
592	M	92.5	Very high	92.8	Very high	125 Å²	125	58.9 Å²	58.9	62%	0.616	30%	0.3	S	S	*	.	H	α-helix	trans	-60	-50.2	175.3	-64.1	-158.4	-64.9	0	0	111.9	T508 A590 V594 A595 T596	T508-M592 HydrophobicContact CG2-CB 4.37Å; T508-M592 HydrophobicContact CG2-CG 3.96Å; A590-M592 PolarHBondContact O-N 3.33Å; M592-V594 VanDerWaalsContact C-N 3.27Å; M592-V594 PolarHBondContact O-N 2.81Å; M592-A595 PolarHBondContact O-N 2.98Å; M592-A595 VanDerWaalsContact O-N 3.17Å; M592-T596 PolarHBondContact O-N 2.65Å; M592-T596 PolarHBondContact O-OG1 2.97Å
593	T	92.4	Very high	92.9	Very high	88 Å²	88	58.8 Å²	58.8	54%	0.54	30%	0.3	S	S	.	.	H	α-helix	trans	-62.4	-33.4	178.9	-49.2	0	0	0	0	112.8	A590 K597	A590-T593 PolarHBondContact O-N 3.44Å; T593-K597 WeakPolarHBondContact O-CG 3.21Å; T593-K597 PolarHBondContact O-N 2.95Å
594	V	94.7	Very high	93.1	Very high	31 Å²	31	49.4 Å²	49.4	19%	0.188	27%	0.265	C	S	.	.	H	α-helix	trans	-69.5	-48.7	173.5	167.9	0	0	0	0	110.4	T584 L585 A590 L591 M592 T596 K597 I598	T584-V594 HydrophobicContact CG2-CG1 4.04Å; T584-V594 HydrophobicContact CG2-CG2 4.3Å; L585-V594 HydrophobicContact CD2-CG1 4.22Å; A590-V594 WeakPolarHBondContact O-CG2 3.23Å; A590-V594 PolarHBondContact O-N 3.2Å; L591-V594 PolarHBondContact O-N 3.27Å; M592-V594 VanDerWaalsContact C-N 3.27Å; M592-V594 PolarHBondContact O-N 2.81Å; V594-T596 PolarHBondContact O-N 3.04Å; V594-K597 PolarHBondContact O-N 3.33Å; V594-I598 HydrophobicContact CG1-CD1 3.66Å; V594-I598 HydrophobicContact CG1-CG1 4.44Å; V594-I598 VanDerWaalsContact O-CG1 3.32Å; V594-I598 WeakPolarHBondContact O-CG1 3.47Å; V594-I598 PolarHBondContact O-N 3.49Å
595	A	96.1	Very high	93.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.6	-41.4	179.3	0	0	0	0	0	112.4	L505 T508 L509 V512 L591 M592 K597 I598 A599	L505-A595 HydrophobicContact CD1-CB 4.41Å; T508-A595 HydrophobicContact CG2-CB 3.47Å; T508-A595 VanDerWaalsContact CG2-CB 3.47Å; L509-A595 HydrophobicContact CD2-CB 4.35Å; V512-A595 HydrophobicContact CG2-CB 4.21Å; L591-A595 VanDerWaalsContact O-CB 3.31Å; L591-A595 WeakPolarHBondContact O-CB 3.3Å; L591-A595 PolarHBondContact O-N 2.76Å; M592-A595 PolarHBondContact O-N 2.98Å; M592-A595 VanDerWaalsContact O-N 3.17Å; A595-K597 PolarHBondContact O-N 3.25Å; A595-I598 PolarHBondContact O-N 3.46Å; A595-A599 WeakPolarHBondContact O-CB 3.43Å; A595-A599 PolarHBondContact O-N 3.37Å
596	T	95.3	Very high	93.6	Very high	41 Å²	41	47.6 Å²	47.6	25%	0.252	25%	0.253	S	S	.	.	H	α-helix	trans	-59.3	-46.3	174.9	-52.4	0	0	0	0	111	I516 M592 V594 I598 A599 L600	I516-T596 HydrophobicContact CD1-CG2 4.16Å; M592-T596 PolarHBondContact O-N 2.65Å; M592-T596 PolarHBondContact O-OG1 2.97Å; V594-T596 PolarHBondContact O-N 3.04Å; T596-I598 VanDerWaalsContact C-N 3.33Å; T596-I598 PolarHBondContact O-N 3.4Å; T596-A599 PolarHBondContact O-N 2.72Å; T596-L600 HydrophobicContact CG2-CD1 4.19Å; T596-L600 VanDerWaalsContact O-CG 3.27Å; T596-L600 WeakPolarHBondContact O-CG 3.46Å; T596-L600 PolarHBondContact O-N 2.73Å
597	K	95.7	Very high	93.9	Very high	83 Å²	83	45.7 Å²	45.7	36%	0.361	24%	0.243	S	C	.	.	H	α-helix	trans	-67.2	-33.1	177.7	-71.5	174	-174.8	-89.1	0	112.4	T593 V594 A595 Q601	T593-K597 WeakPolarHBondContact O-CG 3.21Å; T593-K597 PolarHBondContact O-N 2.95Å; V594-K597 PolarHBondContact O-N 3.33Å; A595-K597 PolarHBondContact O-N 3.25Å; K597-Q601 VanDerWaalsContact O-CB 3.31Å; K597-Q601 WeakPolarHBondContact O-CB 3.11Å; K597-Q601 PolarHBondContact O-N 2.74Å
598	I	97.4	Very high	94.4	Very high	13 Å²	13	39.6 Å²	39.6	7%	0.067	22%	0.22	C	C	.	.	H	α-helix	trans	-66.1	-48.4	172.1	-70.3	166.8	0	0	0	110.6	L505 L509 Q578 V580 V594 A595 T596 L600 Q601 M602	L505-I598 HydrophobicContact CD1-CD1 3.96Å; L509-I598 HydrophobicContact CD2-CB 4.49Å; L509-I598 HydrophobicContact CD2-CG2 4.15Å; Q578-I598 HydrophobicContact CG-CG2 4.11Å; V580-I598 HydrophobicContact CG1-CD1 3.93Å; V580-I598 HydrophobicContact CG2-CD1 3.93Å; V594-I598 HydrophobicContact CG1-CD1 3.66Å; V594-I598 HydrophobicContact CG1-CG1 4.44Å; V594-I598 VanDerWaalsContact O-CG1 3.32Å; V594-I598 WeakPolarHBondContact O-CG1 3.47Å; V594-I598 PolarHBondContact O-N 3.49Å; A595-I598 PolarHBondContact O-N 3.46Å; T596-I598 VanDerWaalsContact C-N 3.33Å; T596-I598 PolarHBondContact O-N 3.4Å; I598-L600 PolarHBondContact O-N 3.4Å; I598-Q601 CarbonylContact O-C 3.52Å; I598-Q601 WeakPolarHBondContact O-CB 3.29Å; I598-Q601 PolarHBondContact O-N 2.68Å; I598-Q601 VanDerWaalsContact O-N 3.13Å; I598-M602 HydrophobicContact CG2-CG 4.25Å; I598-M602 HydrophobicContact CG2-SD 3.67Å; I598-M602 VanDerWaalsContact O-CG 3.26Å; I598-M602 WeakPolarHBondContact O-CG 3.32Å; I598-M602 PolarHBondContact O-N 2.94Å
599	A	97.1	Very high	95	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.7	-45.1	179.3	0	0	0	0	0	112.3	L509 V512 I516 I518 M520 A595 T596 Q601 M602 A603	L509-A599 HydrophobicContact CD2-CB 3.93Å; V512-A599 HydrophobicContact CG2-CB 4.39Å; I516-A599 HydrophobicContact CD1-CB 4.07Å; I518-A599 HydrophobicContact CD1-CB 4.25Å; M520-A599 HydrophobicContact CE-CB 3.85Å; A595-A599 WeakPolarHBondContact O-CB 3.43Å; A595-A599 PolarHBondContact O-N 3.37Å; T596-A599 PolarHBondContact O-N 2.72Å; A599-Q601 VanDerWaalsContact C-N 3.35Å; A599-Q601 PolarHBondContact O-N 3.21Å; A599-M602 WeakPolarHBondContact O-CB 3.26Å; A599-M602 PolarHBondContact O-N 2.67Å; A599-A603 PolarHBondContact O-N 3.11Å
600	L	96.7	Very high	95.5	Very high	4 Å²	4	25 Å²	25	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-60.7	-42.4	173.8	-67.4	172	0	0	0	111.9	M476 V481 I516 I518 T596 I598 M602 A603 C604 L610	M476-L600 HydrophobicContact CE-CD1 3.58Å; M476-L600 HydrophobicContact CE-CD2 3.59Å; M476-L600 HydrophobicContact CE-CG 4.25Å; M476-L600 HydrophobicContact SD-CD1 3.93Å; V481-L600 HydrophobicContact CG1-CD2 3.66Å; I516-L600 HydrophobicContact CD1-CD2 4.06Å; I516-L600 HydrophobicContact CD1-CG 4.22Å; I518-L600 HydrophobicContact CD1-CD2 4.44Å; T596-L600 HydrophobicContact CG2-CD1 4.19Å; T596-L600 VanDerWaalsContact O-CG 3.27Å; T596-L600 WeakPolarHBondContact O-CG 3.46Å; T596-L600 PolarHBondContact O-N 2.73Å; I598-L600 PolarHBondContact O-N 3.4Å; L600-M602 VanDerWaalsContact C-N 3.34Å; L600-M602 PolarHBondContact O-N 3.43Å; L600-A603 PolarHBondContact O-N 3.13Å; L600-C604 PolarHBondContact O-N 2.97Å; L600-C604 VanDerWaalsContact O-N 3.14Å; L600-C604 PolarHBondContact O-SG 2.88Å; L600-L610 HydrophobicContact CB-CD1 3.89Å; L600-L610 HydrophobicContact CB-CD2 4.47Å; L600-L610 HydrophobicContact CD2-CD1 4.16Å; L600-L610 HydrophobicContact CD2-CD2 3.98Å; L600-L610 HydrophobicContact CG-CD1 4.46Å
601	Q	97.6	Very high	95.8	Very high	27 Å²	27	23.3 Å²	23.3	13%	0.126	13%	0.128	C	C	.	.	H	α-helix	trans	-66.1	-34.1	175.2	-177.8	169.4	52.8	0	0	112.5	K597 I598 A599 K605 N815 L855	K597-Q601 VanDerWaalsContact O-CB 3.31Å; K597-Q601 WeakPolarHBondContact O-CB 3.11Å; K597-Q601 PolarHBondContact O-N 2.74Å; I598-Q601 CarbonylContact O-C 3.52Å; I598-Q601 WeakPolarHBondContact O-CB 3.29Å; I598-Q601 PolarHBondContact O-N 2.68Å; I598-Q601 VanDerWaalsContact O-N 3.13Å; A599-Q601 VanDerWaalsContact C-N 3.35Å; A599-Q601 PolarHBondContact O-N 3.21Å; Q601-K605 HydrophobicContact CG-CD 4.24Å; Q601-K605 VanDerWaalsContact O-CG 3.23Å; Q601-K605 WeakPolarHBondContact O-CG 3.26Å; Q601-K605 PolarHBondContact O-N 3.47Å; Q601-N815 PolarHBondContact NE2-ND2 2.67Å; Q601-N815 VanDerWaalsContact NE2-ND2 3.13Å; Q601-L855 HydrophobicContact CG-CB 4.34Å; Q601-L855 PolarHBondContact NE2-O 3.06Å; Q601-L855 PolarHBondContact NE2-OXT 3.43Å
602	M	98	Very high	96	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-66.1	-46	174.2	-69.5	168	61.2	0	0	111	L487 W490 L509 M520 M549 V551 Q578 I598 A599 L600 C604 K605 M606	L487-M602 HydrophobicContact CD2-CE 3.55Å; W490-M602 HydrophobicContact CE3-CE 4.29Å; W490-M602 HydrophobicContact CH2-CE 4.36Å; W490-M602 HydrophobicContact CZ3-CE 4.05Å; L509-M602 HydrophobicContact CD1-SD 4.4Å; L509-M602 HydrophobicContact CD2-SD 4.43Å; M520-M602 HydrophobicContact CE-CE 4.26Å; M549-M602 HydrophobicContact CE-CB 4.24Å; M549-M602 WeakPolarHBondContact CE-O 3.46Å; M549-M602 HydrophobicContact SD-CB 3.71Å; M549-M602 HydrophobicContact SD-CE 3.83Å; M549-M602 HydrophobicContact SD-CG 3.58Å; M549-M602 VanDerWaalsContact SD-CG 3.58Å; M549-M602 HydrophobicContact SD-SD 4.46Å; V551-M602 HydrophobicContact CG2-CE 3.82Å; V551-M602 HydrophobicContact CG2-SD 4.27Å; Q578-M602 HydrophobicContact CB-CG 4.26Å; Q578-M602 HydrophobicContact CG-CG 4.05Å; I598-M602 HydrophobicContact CG2-CG 4.25Å; I598-M602 HydrophobicContact CG2-SD 3.67Å; I598-M602 VanDerWaalsContact O-CG 3.26Å; I598-M602 WeakPolarHBondContact O-CG 3.32Å; I598-M602 PolarHBondContact O-N 2.94Å; A599-M602 WeakPolarHBondContact O-CB 3.26Å; A599-M602 PolarHBondContact O-N 2.67Å; L600-M602 VanDerWaalsContact C-N 3.34Å; L600-M602 PolarHBondContact O-N 3.43Å; M602-C604 PolarHBondContact O-N 2.95Å; M602-K605 PolarHBondContact O-N 3.31Å; M602-M606 PolarHBondContact O-N 3.42Å
603	A	96.8	Very high	96.2	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-57.7	-48.3	175.7	0	0	0	0	0	112.4	A484 I518 A599 L600 K605 M606 G607 G608 L610	A484-A603 HydrophobicContact CB-CB 4.06Å; I518-A603 HydrophobicContact CD1-CB 3.82Å; I518-A603 HydrophobicContact CG1-CB 4.26Å; A599-A603 PolarHBondContact O-N 3.11Å; L600-A603 PolarHBondContact O-N 3.13Å; A603-K605 PolarHBondContact O-N 3.22Å; A603-M606 PolarHBondContact O-N 3.05Å; A603-M606 VanDerWaalsContact O-N 3.08Å; A603-G607 PolarHBondContact O-N 3.42Å; A603-G608 WeakPolarHBondContact O-CA 3.28Å; A603-G608 PolarHBondContact O-N 2.84Å; A603-L610 HydrophobicContact CB-CD2 4.25Å
604	C	96.5	Very high	96.3	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.007	10%	0.098	C	C	.	.	H	α-helix	trans	-54.4	-40.9	176.4	-63.3	0	0	0	0	112.8	L600 M602 M606 G607 L610 Y814 L852 L855	L600-C604 PolarHBondContact O-N 2.97Å; L600-C604 VanDerWaalsContact O-N 3.14Å; L600-C604 PolarHBondContact O-SG 2.88Å; M602-C604 PolarHBondContact O-N 2.95Å; C604-M606 PolarHBondContact O-N 2.97Å; C604-G607 PolarHBondContact O-N 3.43Å; C604-L610 VanDerWaalsContact SG-CD1 3.56Å; C604-L610 VanDerWaalsContact SG-CG 3.56Å; C604-Y814 VanDerWaalsContact SG-CB 3.5Å; C604-L852 HydrophobicContact CB-CB 4.37Å; C604-L852 HydrophobicContact CB-CD1 4.27Å; C604-L855 HydrophobicContact CB-CD1 3.93Å
605	K	97.7	Very high	96.4	Very high	3 Å²	3	17.8 Å²	17.8	1%	0.013	9%	0.094	C	C	.	.	H	α-helix	trans	-69.9	-12.2	-176.8	-77.3	177.7	172.3	179.1	0	114	M549 P576 S577 Q601 M602 A603 L852 F853 L855	M549-K605 HydrophobicContact CE-CB 3.74Å; P576-K605 HydrophobicContact CB-CB 4.26Å; P576-K605 WeakPolarHBondContact CB-O 3.36Å; P576-K605 VanDerWaalsContact CG-O 3.3Å; P576-K605 WeakPolarHBondContact CG-O 3.23Å; S577-K605 PolarHBondContact O-NZ 2.71Å; S577-K605 VanDerWaalsContact O-NZ 3.15Å; Q601-K605 HydrophobicContact CG-CD 4.24Å; Q601-K605 VanDerWaalsContact O-CG 3.23Å; Q601-K605 WeakPolarHBondContact O-CG 3.26Å; Q601-K605 PolarHBondContact O-N 3.47Å; M602-K605 PolarHBondContact O-N 3.31Å; A603-K605 PolarHBondContact O-N 3.22Å; K605-L852 WeakPolarHBondContact CG-O 3.38Å; K605-F853 WeakPolarHBondContact CE-O 3.34Å; K605-L855 WeakPolarHBondContact CE-OXT 3.18Å; K605-L855 PolarHBondContact NZ-OXT 2.67Å
606	M	95.6	Very high	96.2	Very high	15 Å²	15	22.3 Å²	22.3	7%	0.074	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	5.9	172.9	-55.2	-174.6	-61	0	0	112.6	P485 L487 Q548 M549 M602 A603 C604 Y851	P485-M606 HydrophobicContact CB-CB 4.34Å; P485-M606 HydrophobicContact CB-CE 4.39Å; P485-M606 HydrophobicContact CG-CB 3.94Å; P485-M606 WeakPolarHBondContact CG-O 3.36Å; L487-M606 HydrophobicContact CB-CE 4.26Å; L487-M606 HydrophobicContact CD1-CE 4.14Å; L487-M606 HydrophobicContact CD1-SD 3.65Å; Q548-M606 HydrophobicContact CB-SD 4.48Å; M549-M606 HydrophobicContact CE-CG 3.66Å; M549-M606 HydrophobicContact CE-SD 4.17Å; M602-M606 PolarHBondContact O-N 3.42Å; A603-M606 PolarHBondContact O-N 3.05Å; A603-M606 VanDerWaalsContact O-N 3.08Å; C604-M606 PolarHBondContact O-N 2.97Å; M606-Y851 VanDerWaalsContact C-CD1 3.45Å; M606-Y851 VanDerWaalsContact O-CE1 3.24Å; M606-Y851 WeakPolarHBondContact O-CE1 3.39Å
607	G	94	Very high	96.1	Very high	23 Å²	23	22.3 Å²	22.3	24%	0.237	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	14.1	-177	0	0	0	0	0	115.2	A603 C604	A603-G607 PolarHBondContact O-N 3.42Å; C604-G607 PolarHBondContact O-N 3.43Å
608	G	95.4	Very high	95.9	Very high	2 Å²	2	27.1 Å²	27.1	2%	0.021	14%	0.142	C	C	.	.			trans	-70.9	146.4	171.9	0	0	0	0	0	113.3	S483 A603	S483-G608 CarbonylContact O-C 3.6Å; S483-G608 WeakPolarHBondContact O-CA 3.42Å; A603-G608 WeakPolarHBondContact O-CA 3.28Å; A603-G608 PolarHBondContact O-N 2.84Å
609	E	96.2	Very high	95.8	Very high	13 Å²	13	30.9 Å²	30.9	6%	0.061	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-108.9	113.8	-172.9	-58.8	169.2	-97.6	0	0	109.1	I482 S483 N646 S650 R651	I482-E609 WeakPolarHBondContact CA-O 3.34Å; I482-E609 HydrophobicContact CB-CB 4.15Å; I482-E609 WeakPolarHBondContact CB-O 3.33Å; I482-E609 HydrophobicContact CG2-CB 4.32Å; I482-E609 PolarHBondContact N-O 3.43Å; S483-E609 PolarHBondContact N-O 3.34Å; S483-E609 PolarHBondContact O-N 3.05Å; S483-E609 WeakPolarHBondContact OG-CB 3.42Å; S483-E609 WeakPolarHBondContact OG-CG 3.47Å; S483-E609 PolarHBondContact OG-N 3Å; S483-E609 PolarHBondContact OG-OE1 3.06Å; E609-N646 PolarHBondContact OE2-ND2 3.45Å; E609-S650 WeakPolarHBondContact OE2-CB 3.41Å; E609-S650 PolarHBondContact OE2-OG 3.22Å; E609-R651 VanDerWaalsContact CD-NE 3.27Å; E609-R651 HydrophobicContact CG-CG 3.93Å; E609-R651 IonicContact OE1-CZ 3.57Å; E609-R651 VanDerWaalsContact OE1-CZ 3.26Å; E609-R651 IonicContact OE1-NE 3.53Å; E609-R651 PolarHBondContact OE1-NE 3.35Å; E609-R651 IonicContact OE1-NH2 2.71Å; E609-R651 PolarHBondContact OE1-NH2 3.29Å; E609-R651 IonicContact OE2-NE 3.66Å
610	L	96.3	Very high	95.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.			trans	-80.6	-55.7	-171.5	-55.2	-166.1	0	0	0	112.9	Q458 V481 I482 L600 A603 C604 Y814	Q458-L610 WeakPolarHBondContact CG-O 3.39Å; V481-L610 HydrophobicContact CB-CD2 4.45Å; V481-L610 HydrophobicContact CG1-CB 4.47Å; V481-L610 HydrophobicContact CG1-CD2 3.83Å; I482-L610 PolarHBondContact N-O 2.86Å; L600-L610 HydrophobicContact CB-CD1 3.89Å; L600-L610 HydrophobicContact CB-CD2 4.47Å; L600-L610 HydrophobicContact CD2-CD1 4.16Å; L600-L610 HydrophobicContact CD2-CD2 3.98Å; L600-L610 HydrophobicContact CG-CD1 4.46Å; A603-L610 HydrophobicContact CB-CD2 4.25Å; C604-L610 VanDerWaalsContact SG-CD1 3.56Å; C604-L610 VanDerWaalsContact SG-CG 3.56Å; L610-Y814 HydrophobicContact CB-CD1 3.92Å; L610-Y814 HydrophobicContact CB-CD2 4.42Å; L610-Y814 HydrophobicContact CB-CE1 4.03Å; L610-Y814 HydrophobicContact CB-CG 4.12Å; L610-Y814 HydrophobicContact CD1-CD1 4.36Å; L610-Y814 HydrophobicContact CD1-CG 3.99Å; L610-Y814 HydrophobicContact CG-CD1 4.18Å; L610-Y814 HydrophobicContact CG-CD2 4Å; L610-Y814 HydrophobicContact CG-CE2 4.44Å; L610-Y814 HydrophobicContact CG-CG 3.85Å
611	W	97.1	Very high	95.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.159	C	C	.	.			trans	-151.8	169.9	-177.5	64.6	81.2	0	0	0	110.4	I456 Y457 Q458 W472 M476 I482 H811 Y814 W816 Q817	I456-W611 HydrophobicContact CG2-CB 3.92Å; I456-W611 HydrophobicContact CG2-CG 4.19Å; Y457-W611 CarbonylContact O-C 3.57Å; Y457-W611 WeakPolarHBondContact O-CA 3.39Å; Y457-W611 VanDerWaalsContact O-CB 3.32Å; Y457-W611 WeakPolarHBondContact O-CB 3.49Å; Q458-W611 HydrophobicContact CB-CB 4.43Å; Q458-W611 HydrophobicContact CG-CB 4.35Å; W472-W611 AromaticContact CZ2-CE2 3.76Å; W472-W611 AromaticContact CZ2-CZ2 3.84Å; W472-W611 HydrophobicContact CZ2-CZ2 3.84Å; W472-W611 AromaticContact CZ2-NE1 3.59Å; W472-W611 AromaticContact NE1-CD2 3.99Å; W472-W611 AromaticContact NE1-CE2 3.85Å; M476-W611 HydrophobicContact CE-CE3 3.72Å; M476-W611 HydrophobicContact CE-CZ3 3.8Å; M476-W611 HydrophobicContact SD-CE3 4.24Å; M476-W611 HydrophobicContact SD-CZ3 4.05Å; I482-W611 VanDerWaalsContact CD1-C 3.44Å; W611-H811 PolarHBondContact NE1-O 2.87Å; W611-Y814 AromaticContact CD2-CD1 3.97Å; W611-Y814 HydrophobicContact CD2-CD1 3.97Å; W611-Y814 HydrophobicContact CD2-CE1 4.08Å; W611-Y814 AromaticContact CE2-CD1 3.77Å; W611-Y814 HydrophobicContact CE3-CD1 4.29Å; W611-Y814 HydrophobicContact CG-CE1 4.16Å; W611-Y814 HydrophobicContact CH2-CD1 4.23Å; W611-Y814 AromaticContact CZ2-CD1 3.92Å; W611-Y814 HydrophobicContact CZ2-CD1 3.92Å; W611-Y814 HydrophobicContact CZ3-CD1 4.4Å; W611-Y814 WeakPolarHBondContact O-CE1 3.3Å; W611-Y814 PolarHBondContact O-OH 3.14Å; W611-W816 WeakPolarHBondContact CH2-O 3.49Å; W611-W816 VanDerWaalsContact CZ2-O 3.29Å; W611-W816 WeakPolarHBondContact CZ2-O 3.11Å; W611-Q817 HydrophobicContact CH2-CG 4.23Å; W611-Q817 HydrophobicContact CZ3-CG 4.19Å
612	S	96.9	Very high	95.9	Very high	10 Å²	10	29.5 Å²	29.5	7%	0.07	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	172.5	172.6	62	0	0	0	0	112.1	Y457 I482	Y457-S612 PolarHBondContact N-O 3.49Å; Y457-S612 PolarHBondContact O-N 2.63Å; I482-S612 WeakPolarHBondContact CD1-OG 3.44Å
613	V	96.6	Very high	96	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.018	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	153.8	166.8	-59.7	0	0	0	0	108.5	E454 I456 I615 K808 H811 M812	E454-V613 HydrophobicContact CB-CG1 4.27Å; I456-V613 HydrophobicContact CD1-CG1 3.9Å; V613-I615 HydrophobicContact CG2-CD1 4.42Å; V613-I615 HydrophobicContact CG2-CG1 4.32Å; V613-I615 PolarHBondContact O-N 3.29Å; V613-K808 HydrophobicContact CG2-CB 3.95Å; V613-K808 HydrophobicContact CG2-CG 4.28Å; V613-H811 HydrophobicContact CG1-CB 3.84Å; V613-M812 HydrophobicContact CG2-CG 4.35Å; V613-M812 HydrophobicContact CG2-SD 3.98Å
614	E	95.1	Very high	96	Very high	114 Å²	114	29.5 Å²	29.5	53%	0.533	15%	0.153	S	C	.	.			trans	-65.5	125.4	179.7	-171.2	-168.1	-176.9	0	0	111.4	Y457 K808	Y457-E614 HydrophobicContact CE2-CB 4.21Å; E614-K808 WeakPolarHBondContact O-CD 3.36Å; E614-K808 WeakPolarHBondContact O-CE 3.31Å; E614-K808 PolarHBondContact O-NZ 3.23Å
615	I	95.6	Very high	96.1	Very high	20 Å²	20	29.5 Å²	29.5	10%	0.103	15%	0.153	C	C	.	.			trans	-128	97.8	173.7	-63.4	171.5	0	0	0	107.6	V613 L617 L620 M649 L805 K808 L809	V613-I615 HydrophobicContact CG2-CD1 4.42Å; V613-I615 HydrophobicContact CG2-CG1 4.32Å; V613-I615 PolarHBondContact O-N 3.29Å; I615-L617 HydrophobicContact CG2-CB 4.31Å; I615-L617 PolarHBondContact O-N 3.09Å; I615-L620 HydrophobicContact CG2-CD2 4.27Å; I615-M649 HydrophobicContact CD1-CB 4.2Å; I615-M649 HydrophobicContact CD1-CG 3.58Å; I615-L805 HydrophobicContact CG2-CD1 3.97Å; I615-K808 HydrophobicContact CG1-CB 4.47Å; I615-K808 HydrophobicContact CG1-CD 4.28Å; I615-L809 HydrophobicContact CD1-CD2 4.26Å
616	P	93	Very high	95.9	Very high	96 Å²	96	29.5 Å²	29.5	62%	0.623	15%	0.153	S	C	*	.			trans	-77.6	26.2	-170.2	32.1	-37.5	0	0	0	114.2
617	L	92.7	Very high	95.7	Very high	41 Å²	41	29.3 Å²	29.3	22%	0.215	15%	0.153	C	C	.	.			trans	-104.7	102.9	-178.5	-64.2	-176.1	0	0	0	110.3	I615 L620 L805	I615-L617 HydrophobicContact CG2-CB 4.31Å; I615-L617 PolarHBondContact O-N 3.09Å; L617-L620 HydrophobicContact CB-CB 4.27Å; L617-L620 HydrophobicContact CB-CD2 3.67Å; L617-L620 HydrophobicContact CD1-CD2 3.78Å; L617-L620 HydrophobicContact CG-CD2 4.35Å; L617-L620 WeakPolarHBondContact O-CB 3.48Å; L617-L805 HydrophobicContact CD1-CD2 4.27Å
618	K	92.3	Very high	95.3	Very high	184 Å²	184	29.9 Å²	29.9	80%	0.8	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	148.5	177.6	-59.9	-175.6	-179.8	-177	0	111.7	L620	K618-L620 PolarHBondContact O-N 3.06Å; K618-L620 VanDerWaalsContact O-N 3.14Å
619	Q	94.9	Very high	94.6	Very high	92 Å²	92	32 Å²	32	43%	0.43	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	37.1	175.2	-68.2	175.2	-14.8	0	0	114.5	P688 S689 R690	Q619-P688 CarbonylContact O-C 3.52Å; Q619-P688 VanDerWaalsContact O-CA 3.27Å; Q619-P688 WeakPolarHBondContact O-CA 3.43Å; Q619-P688 WeakPolarHBondContact O-CB 3.43Å; Q619-S689 VanDerWaalsContact CB-OG 3.29Å; Q619-S689 WeakPolarHBondContact CB-OG 3.43Å; Q619-S689 PolarHBondContact O-N 3.47Å; Q619-S689 PolarHBondContact OE1-OG 3.33Å; Q619-R690 PolarHBondContact O-N 3.21Å
620	L	96.9	Very high	93.3	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	138.7	177.9	178	58.7	0	0	0	110.6	I615 L617 K618 I622 M649 Y680 R690 I692 L805	I615-L620 HydrophobicContact CG2-CD2 4.27Å; L617-L620 HydrophobicContact CB-CB 4.27Å; L617-L620 HydrophobicContact CB-CD2 3.67Å; L617-L620 HydrophobicContact CD1-CD2 3.78Å; L617-L620 HydrophobicContact CG-CD2 4.35Å; L617-L620 WeakPolarHBondContact O-CB 3.48Å; K618-L620 PolarHBondContact O-N 3.06Å; K618-L620 VanDerWaalsContact O-N 3.14Å; L620-I622 HydrophobicContact CD1-CD1 4Å; L620-I622 HydrophobicContact CD2-CD1 3.79Å; L620-I622 HydrophobicContact CD2-CG1 4.26Å; L620-I622 HydrophobicContact CG-CD1 3.89Å; L620-I622 HydrophobicContact CG-CG1 4.21Å; L620-M649 HydrophobicContact CB-CE 3.87Å; L620-M649 HydrophobicContact CD2-CE 4.04Å; L620-M649 HydrophobicContact CG-CE 3.9Å; L620-Y680 PolarHBondContact N-OH 2.94Å; L620-Y680 WeakPolarHBondContact O-CE2 3.3Å; L620-Y680 PolarHBondContact O-OH 2.75Å; L620-R690 CarbonylContact C-O 3.54Å; L620-R690 WeakPolarHBondContact CA-O 3.45Å; L620-R690 HydrophobicContact CD1-CB 3.96Å; L620-R690 HydrophobicContact CD1-CG 3.97Å; L620-I692 HydrophobicContact CD1-CB 4.45Å; L620-I692 HydrophobicContact CD1-CD1 3.9Å; L620-I692 HydrophobicContact CD1-CG1 3.92Å; L620-L805 HydrophobicContact CD2-CD1 4.41Å; L620-L805 HydrophobicContact CD2-CD2 4.44Å
621	M	98.3	Very high	91.3	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.7	159.3	177.3	-176	-78.6	0	0	109.3	V623 A643 L673 A676 L677 Y680 P688 R690 I691 I692	M621-V623 HydrophobicContact CG-CG2 3.84Å; M621-V623 HydrophobicContact SD-CG2 3.78Å; M621-A643 HydrophobicContact CG-CB 4.36Å; M621-A643 HydrophobicContact SD-CB 4.08Å; M621-L673 HydrophobicContact SD-CD1 4.3Å; M621-A676 HydrophobicContact CE-CB 4.31Å; M621-A676 WeakPolarHBondContact CE-O 3.46Å; M621-L677 HydrophobicContact CE-CD2 3.88Å; M621-L677 HydrophobicContact CE-CG 4.43Å; M621-L677 HydrophobicContact SD-CD2 4.03Å; M621-Y680 HydrophobicContact CB-CD2 4.27Å; M621-Y680 HydrophobicContact CB-CE2 4.08Å; M621-Y680 VanDerWaalsContact CE-CB 3.49Å; M621-Y680 HydrophobicContact CE-CD2 3.56Å; M621-Y680 HydrophobicContact CE-CE2 4.48Å; M621-Y680 HydrophobicContact CE-CG 3.76Å; M621-P688 HydrophobicContact CB-CB 3.87Å; M621-P688 HydrophobicContact CB-CG 3.95Å; M621-P688 HydrophobicContact CE-CG 4.3Å; M621-R690 PolarHBondContact N-O 2.73Å; M621-I691 HydrophobicContact CB-CG1 4.47Å; M621-I691 CarbonylContact O-C 3.43Å; M621-I691 WeakPolarHBondContact O-CA 3.3Å; M621-I692 PolarHBondContact O-N 3.35Å
622	I	98.5	Very high	89.1	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.3	168.7	-62.4	-56.8	0	0	0	108.9	L620 A643 S644 M649 I692 Y694 L805 L809 P825	L620-I622 HydrophobicContact CD1-CD1 4Å; L620-I622 HydrophobicContact CD2-CD1 3.79Å; L620-I622 HydrophobicContact CD2-CG1 4.26Å; L620-I622 HydrophobicContact CG-CD1 3.89Å; L620-I622 HydrophobicContact CG-CG1 4.21Å; I622-A643 CarbonylContact O-C 3.4Å; I622-A643 WeakPolarHBondContact O-CA 3.23Å; I622-S644 PolarHBondContact N-OG 3.46Å; I622-S644 PolarHBondContact O-N 3.03Å; I622-S644 PolarHBondContact O-OG 3.26Å; I622-M649 HydrophobicContact CB-SD 4.27Å; I622-M649 HydrophobicContact CG1-CE 4.33Å; I622-M649 HydrophobicContact CG1-CG 4.45Å; I622-M649 HydrophobicContact CG1-SD 3.78Å; I622-I692 WeakPolarHBondContact CA-O 3.2Å; I622-I692 HydrophobicContact CD1-CB 3.93Å; I622-I692 HydrophobicContact CD1-CG2 4.46Å; I622-Y694 HydrophobicContact CG2-CD2 4.35Å; I622-Y694 HydrophobicContact CG2-CE2 4.44Å; I622-L805 HydrophobicContact CD1-CD1 4.37Å; I622-L805 HydrophobicContact CD1-CD2 4.11Å; I622-L809 HydrophobicContact CD1-CD1 3.97Å; I622-L809 HydrophobicContact CG1-CD1 4.13Å; I622-L809 HydrophobicContact CG1-CD2 4.14Å; I622-L809 HydrophobicContact CG2-CD1 3.76Å; I622-L809 HydrophobicContact CG2-CD2 4.07Å; I622-P825 HydrophobicContact CG2-CB 4.2Å; I622-P825 HydrophobicContact CG2-CG 3.66Å
623	V	98.8	Very high	87.1	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	143.8	177.7	-171.5	0	0	0	0	109.7	M621 I625 L641 V642 A643 L673 I691 I692 V693 Y694	M621-V623 HydrophobicContact CG-CG2 3.84Å; M621-V623 HydrophobicContact SD-CG2 3.78Å; V623-I625 HydrophobicContact CG1-CG1 4.33Å; V623-L641 HydrophobicContact CG1-CD1 3.74Å; V623-L641 HydrophobicContact CG1-CD2 4.29Å; V623-L641 HydrophobicContact CG1-CG 3.71Å; V623-V642 CarbonylContact C-O 3.56Å; V623-V642 WeakPolarHBondContact CA-O 3.4Å; V623-A643 HydrophobicContact CG2-CB 4.12Å; V623-L673 HydrophobicContact CG2-CD1 4.25Å; V623-I691 HydrophobicContact CG2-CG2 3.96Å; V623-I692 PolarHBondContact N-O 2.92Å; V623-V693 HydrophobicContact CB-CB 4.33Å; V623-V693 HydrophobicContact CB-CG1 4.13Å; V623-V693 HydrophobicContact CB-CG2 4.07Å; V623-V693 HydrophobicContact CG1-CG1 4.21Å; V623-V693 HydrophobicContact CG2-CG2 4.37Å; V623-V693 CarbonylContact O-C 3.59Å; V623-V693 WeakPolarHBondContact O-CA 3.35Å; V623-Y694 PolarHBondContact O-N 3.06Å
624	G	98.3	Very high	85.3	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	136.7	171.5	0	0	0	0	0	111	L641 V642 Y694	G624-L641 CarbonylContact O-C 3.52Å; G624-L641 WeakPolarHBondContact O-CA 3.37Å; G624-V642 PolarHBondContact N-O 3.43Å; G624-V642 PolarHBondContact O-N 3.33Å; G624-Y694 WeakPolarHBondContact CA-O 3.44Å
625	I	97.3	Very high	84.2	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130.3	178.7	-56.3	172.8	0	0	0	108.4	V623 A640 L641 M666 L669 V693 Y694 D696 M714	V623-I625 HydrophobicContact CG1-CG1 4.33Å; I625-A640 VanDerWaalsContact CA-O 3.31Å; I625-A640 WeakPolarHBondContact CA-O 3.41Å; I625-L641 HydrophobicContact CG1-CD1 4.48Å; I625-M666 HydrophobicContact CG2-CE 3.86Å; I625-L669 HydrophobicContact CD1-CD1 3.68Å; I625-L669 HydrophobicContact CD1-CD2 4.19Å; I625-V693 HydrophobicContact CD1-CG1 3.62Å; I625-V693 HydrophobicContact CG1-CG1 4.08Å; I625-Y694 PolarHBondContact N-O 3.04Å; I625-D696 PolarHBondContact O-N 3Å; I625-M714 HydrophobicContact CD1-CE 4.2Å
626	D	95	Very high	83.5	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.016	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	148.9	170.7	-172.4	66.4	0	0	0	108.7	A640 D696 K736 H830	D626-A640 PolarHBondContact N-O 3.43Å; D626-A640 PolarHBondContact O-N 3.43Å; D626-D696 HydrophobicContact CB-CB 4.25Å; D626-D696 WeakPolarHBondContact OD1-CB 3.35Å; D626-K736 IonicContact OD1-NZ 3.18Å; D626-K736 PolarHBondContact OD1-NZ 3.46Å; D626-K736 IonicContact OD2-NZ 2.7Å; D626-H830 HydrophobicContact CB-CB 4.36Å; D626-H830 VanDerWaalsContact OD2-CA 3.27Å; D626-H830 WeakPolarHBondContact OD2-CA 2.96Å; D626-H830 VanDerWaalsContact OD2-CB 3.26Å; D626-H830 WeakPolarHBondContact OD2-CB 3.47Å; D626-H830 IonicContact OD2-CE1 3.94Å; D626-H830 IonicContact OD2-CG 3.92Å; D626-H830 IonicContact OD2-ND1 3.48Å; D626-H830 PolarHBondContact OD2-ND1 3.2Å
627	C	90	Very high	83.3	Confident	11 Å²	11	44.8 Å²	44.8	7%	0.074	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	144.2	179	-73.5	0	0	0	0	111.8	I638 E664	C627-I638 CarbonylContact C-O 3.53Å; C627-I638 WeakPolarHBondContact CA-O 3.19Å; C627-E664 WeakPolarHBondContact CB-OE1 3.5Å; C627-E664 PolarHBondContact SG-O 3.31Å
628	Y	86.2	Confident	83.3	Confident	35 Å²	35	43 Å²	43	14%	0.137	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.4	178.5	-179.3	-92.6	0	0	0	111.6	D630 S637 I638 F834 Q838	Y628-D630 HydrophobicContact CE1-CB 4.05Å; Y628-S637 WeakPolarHBondContact O-CA 3.35Å; Y628-I638 PolarHBondContact N-O 3.15Å; Y628-I638 PolarHBondContact O-N 3.04Å; Y628-F834 HydrophobicContact CD2-CB 4.41Å; Y628-F834 AromaticContact CD2-CD2 3.99Å; Y628-F834 HydrophobicContact CD2-CD2 3.99Å; Y628-F834 AromaticContact CE2-CD2 3.65Å; Y628-F834 HydrophobicContact CE2-CD2 3.65Å; Y628-F834 HydrophobicContact CE2-CE2 4.17Å; Y628-Q838 HydrophobicContact CE1-CG 4.27Å; Y628-Q838 PolarHBondContact OH-NE2 2.92Å
629	H	81.1	Confident	83.3	Confident	47 Å²	47	34.2 Å²	34.2	22%	0.218	19%	0.192	C	C	.	.			trans	-132.5	125.8	-179.3	-48.8	-72.9	0	0	0	110.6	T631 S637 Q663 E664	H629-T631 HydrophobicContact CB-CG2 4.26Å; H629-S637 PolarHBondContact CE1-OG 2.88Å; H629-S637 WeakPolarHBondContact ND1-CB 3.18Å; H629-S637 PolarHBondContact ND1-OG 2.94Å; H629-Q663 PolarHBondContact CE1-O 3.45Å; H629-Q663 VanDerWaalsContact CE1-O 3.32Å; H629-E664 IonicContact CD2-OE2 3.95Å; H629-E664 IonicContact NE2-OE2 3.33Å; H629-E664 PolarHBondContact NE2-OE2 3.48Å
630	D	68.6	Low	83.4	Confident	15 Å²	15	29.9 Å²	29.9	8%	0.08	17%	0.172	C	C	.	.			trans	-104.2	78.1	165.6	-171.2	-14.5	0	0	0	108.7	Y628 S632 A633 G634 K635 Q838	Y628-D630 HydrophobicContact CE1-CB 4.05Å; D630-S632 PolarHBondContact O-N 3.11Å; D630-S632 WeakPolarHBondContact OD1-CB 3.46Å; D630-S632 PolarHBondContact OD1-N 2.98Å; D630-S632 PolarHBondContact OD1-OG 3.37Å; D630-A633 WeakPolarHBondContact OD1-CB 3.48Å; D630-A633 PolarHBondContact OD1-N 3Å; D630-A633 WeakPolarHBondContact OD2-CB 3.15Å; D630-G634 PolarHBondContact O-N 2.8Å; D630-K635 HydrophobicContact CB-CB 4.36Å; D630-K635 HydrophobicContact CB-CD 4.48Å; D630-K635 PolarHBondContact O-N 3.34Å; D630-Q838 PolarHBondContact OD2-NE2 3.17Å
631	T	54.9	Low	83.4	Confident	102 Å²	102	29.8 Å²	29.8	63%	0.626	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-22.9	-179.9	51.4	0	0	0	0	112.7	H629	H629-T631 HydrophobicContact CB-CG2 4.26Å
632	S	50.2	Low	83.5	Confident	107 Å²	107	29.8 Å²	29.8	75%	0.748	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-55.8	175.3	20.4	0	0	0	0	112.3	D630 G634	D630-S632 PolarHBondContact O-N 3.11Å; D630-S632 WeakPolarHBondContact OD1-CB 3.46Å; D630-S632 PolarHBondContact OD1-N 2.98Å; D630-S632 PolarHBondContact OD1-OG 3.37Å; S632-G634 PolarHBondContact O-N 3.37Å
633	A	55.9	Low	83.4	Confident	57 Å²	57	29.8 Å²	29.8	47%	0.471	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	8.7	-175.4	0	0	0	0	0	114	D630 K635	D630-A633 WeakPolarHBondContact OD1-CB 3.48Å; D630-A633 PolarHBondContact OD1-N 3Å; D630-A633 WeakPolarHBondContact OD2-CB 3.15Å; A633-K635 HydrophobicContact CB-CD 4.1Å; A633-K635 HydrophobicContact CB-CG 4.01Å; A633-K635 PolarHBondContact O-N 2.84Å
634	G	58.7	Low	83.4	Confident	37 Å²	37	29.8 Å²	29.8	38%	0.381	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	10.6	177.6	0	0	0	0	0	115.5	D630 S632	D630-G634 PolarHBondContact O-N 2.8Å; S632-G634 PolarHBondContact O-N 3.37Å
635	K	71.7	Confident	83.3	Confident	70 Å²	70	30.2 Å²	30.2	30%	0.304	17%	0.174	S	C	.	.	P	Polyproline II helix	trans	-74.9	163.1	-170.1	-63	178.9	-177.6	178.1	0	112.8	D630 A633 H841	D630-K635 HydrophobicContact CB-CB 4.36Å; D630-K635 HydrophobicContact CB-CD 4.48Å; D630-K635 PolarHBondContact O-N 3.34Å; A633-K635 HydrophobicContact CB-CD 4.1Å; A633-K635 HydrophobicContact CB-CG 4.01Å; A633-K635 PolarHBondContact O-N 2.84Å; K635-H841 PolarHBondContact NZ-CE1 2.79Å; K635-H841 VanDerWaalsContact NZ-CE1 3.33Å; K635-H841 PolarHBondContact NZ-NE2 3.47Å
636	R	80.8	Confident	83.2	Confident	135 Å²	135	30.5 Å²	30.5	51%	0.509	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-56.5	150.6	168.7	-74.1	-170.3	-65.8	-159.3	-1.2	111.3	Q659 H841	R636-Q659 WeakPolarHBondContact CB-O 3.18Å; R636-H841 PolarHBondContact NH2-O 3.39Å
637	S	88.2	Confident	83.1	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	150.7	170	-51.7	0	0	0	0	109.7	Y628 H629 Q659 H660 G662 Q663	Y628-S637 WeakPolarHBondContact O-CA 3.35Å; H629-S637 PolarHBondContact CE1-OG 2.88Å; H629-S637 WeakPolarHBondContact ND1-CB 3.18Å; H629-S637 PolarHBondContact ND1-OG 2.94Å; S637-Q659 PolarHBondContact N-O 2.86Å; S637-Q659 VanDerWaalsContact N-O 3.09Å; S637-Q659 PolarHBondContact O-N 3.18Å; S637-H660 VanDerWaalsContact CB-O 3.22Å; S637-H660 WeakPolarHBondContact CB-O 3.21Å; S637-H660 PolarHBondContact OG-O 2.84Å; S637-G662 PolarHBondContact OG-N 2.86Å; S637-Q663 PolarHBondContact OG-N 2.92Å
638	I	91.9	Very high	83.2	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	116.3	174.4	-44	-63.4	0	0	0	108.6	C627 Y628 C656 V657 L658 A833 V836 G837	C627-I638 CarbonylContact C-O 3.53Å; C627-I638 WeakPolarHBondContact CA-O 3.19Å; Y628-I638 PolarHBondContact N-O 3.15Å; Y628-I638 PolarHBondContact O-N 3.04Å; I638-C656 HydrophobicContact CG2-CB 4.02Å; I638-V657 WeakPolarHBondContact CA-O 3.49Å; I638-L658 HydrophobicContact CD1-CD2 3.44Å; I638-L658 VanDerWaalsContact CD1-CD2 3.44Å; I638-A833 HydrophobicContact CG2-CB 4.44Å; I638-V836 HydrophobicContact CD1-CG1 3.89Å; I638-V836 HydrophobicContact CG1-CG1 4.13Å; I638-V836 HydrophobicContact CG2-CB 4.06Å; I638-V836 HydrophobicContact CG2-CG1 3.87Å; I638-G837 VanDerWaalsContact CG1-CA 3.48Å
639	G	93.9	Very high	83.6	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	144.8	163	0	0	0	0	0	110	C656 V657	G639-C656 CarbonylContact O-C 3.46Å; G639-C656 VanDerWaalsContact O-CA 3.25Å; G639-C656 WeakPolarHBondContact O-CA 3.49Å; G639-C656 WeakPolarHBondContact O-CB 3.41Å; G639-V657 PolarHBondContact N-O 2.89Å; G639-V657 PolarHBondContact O-N 2.64Å
640	A	96.4	Very high	84.2	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	140.3	170.5	0	0	0	0	0	111.2	I625 D626 K655 G829 L832 A833	I625-A640 VanDerWaalsContact CA-O 3.31Å; I625-A640 WeakPolarHBondContact CA-O 3.41Å; D626-A640 PolarHBondContact N-O 3.43Å; D626-A640 PolarHBondContact O-N 3.43Å; A640-K655 CarbonylContact C-O 3.54Å; A640-K655 WeakPolarHBondContact CA-O 3.32Å; A640-G829 WeakPolarHBondContact CB-O 3.44Å; A640-L832 HydrophobicContact CB-CB 4.08Å; A640-L832 HydrophobicContact CB-CD2 4.11Å; A640-L832 HydrophobicContact CB-CG 4.03Å; A640-A833 HydrophobicContact CB-CB 3.79Å
641	L	97.9	Very high	85.4	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	136.5	170.6	176.6	146.7	0	0	0	108.4	V623 G624 I625 A643 Y653 S654 K655 L669 A672 L673 A676	V623-L641 HydrophobicContact CG1-CD1 3.74Å; V623-L641 HydrophobicContact CG1-CD2 4.29Å; V623-L641 HydrophobicContact CG1-CG 3.71Å; G624-L641 CarbonylContact O-C 3.52Å; G624-L641 WeakPolarHBondContact O-CA 3.37Å; I625-L641 HydrophobicContact CG1-CD1 4.48Å; L641-A643 HydrophobicContact CD2-CB 4.2Å; L641-Y653 HydrophobicContact CD2-CD1 4.2Å; L641-Y653 HydrophobicContact CD2-CE1 4.3Å; L641-S654 CarbonylContact O-C 3.58Å; L641-S654 WeakPolarHBondContact O-CA 3.38Å; L641-K655 PolarHBondContact N-O 3.43Å; L641-K655 PolarHBondContact O-N 3.32Å; L641-L669 HydrophobicContact CD1-CD1 3.52Å; L641-A672 HydrophobicContact CB-CB 4.1Å; L641-A672 HydrophobicContact CD1-CB 4.07Å; L641-A672 HydrophobicContact CD2-CB 4.46Å; L641-A672 HydrophobicContact CG-CB 4.44Å; L641-L673 HydrophobicContact CD1-CB 4.27Å; L641-A676 HydrophobicContact CD2-CB 4.2Å
642	V	98.4	Very high	87.4	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	128.1	172.9	179.4	0	0	0	0	108.4	V623 G624 W652 Y653	V623-V642 CarbonylContact C-O 3.56Å; V623-V642 WeakPolarHBondContact CA-O 3.4Å; G624-V642 PolarHBondContact N-O 3.43Å; G624-V642 PolarHBondContact O-N 3.33Å; V642-W652 HydrophobicContact CG1-CB 4.05Å; V642-W652 HydrophobicContact CG1-CD2 4.25Å; V642-W652 HydrophobicContact CG1-CE3 3.77Å; V642-W652 HydrophobicContact CG1-CG 4.41Å; V642-Y653 CarbonylContact C-O 3.42Å; V642-Y653 VanDerWaalsContact CA-O 3.3Å; V642-Y653 WeakPolarHBondContact CA-O 3.45Å; V642-Y653 WeakPolarHBondContact CG1-O 3.49Å
643	A	98.4	Very high	89.7	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	135.7	-173.5	0	0	0	0	0	111.8	M621 I622 V623 L641 W652 Y653 A676	M621-A643 HydrophobicContact CG-CB 4.36Å; M621-A643 HydrophobicContact SD-CB 4.08Å; I622-A643 CarbonylContact O-C 3.4Å; I622-A643 WeakPolarHBondContact O-CA 3.23Å; V623-A643 HydrophobicContact CG2-CB 4.12Å; L641-A643 HydrophobicContact CD2-CB 4.2Å; A643-W652 CarbonylContact O-C 3.48Å; A643-W652 VanDerWaalsContact O-CA 3.32Å; A643-W652 WeakPolarHBondContact O-CA 3.4Å; A643-Y653 PolarHBondContact N-O 3.23Å; A643-Y653 PolarHBondContact O-N 2.95Å; A643-A676 HydrophobicContact CB-CB 3.68Å
644	S	98.1	Very high	91.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	134.8	177.8	61.9	0	0	0	0	111.3	I622 M649 R651 Y680	I622-S644 PolarHBondContact N-OG 3.46Å; I622-S644 PolarHBondContact O-N 3.03Å; I622-S644 PolarHBondContact O-OG 3.26Å; S644-M649 WeakPolarHBondContact CB-SD 3.36Å; S644-M649 PolarHBondContact OG-SD 3.23Å; S644-R651 CarbonylContact C-O 3.49Å; S644-R651 WeakPolarHBondContact CA-O 3.31Å; S644-Y680 WeakPolarHBondContact O-CD2 3.44Å
645	L	96.1	Very high	93.4	Very high	9 Å²	9	24.8 Å²	24.8	5%	0.047	12%	0.116	C	C	.	.			trans	-100.3	-14.5	-178.6	-70.8	176.2	0	0	0	114.7	R651 D679 F683 N684	L645-R651 HydrophobicContact CB-CB 4.15Å; L645-R651 PolarHBondContact N-O 2.74Å; L645-D679 HydrophobicContact CD2-CB 4.07Å; L645-F683 VanDerWaalsContact O-CD1 3.28Å; L645-F683 WeakPolarHBondContact O-CD1 3.36Å; L645-N684 PolarHBondContact O-ND2 2.76Å
646	N	94.3	Very high	94.5	Very high	8 Å²	8	21.8 Å²	21.8	4%	0.043	10%	0.104	C	C	.	.	S	Bend	trans	-138.9	159.9	-173.4	68.6	-15.8	0	0	0	113.7	E609 T648 M649 S650 R651 F683	E609-N646 PolarHBondContact OE2-ND2 3.45Å; N646-T648 PolarHBondContact ND2-OG1 3Å; N646-T648 PolarHBondContact O-N 3.26Å; N646-T648 VanDerWaalsContact O-N 3.15Å; N646-M649 PolarHBondContact O-N 2.85Å; N646-S650 PolarHBondContact ND2-OG 3.44Å; N646-S650 PolarHBondContact OD1-N 3Å; N646-S650 PolarHBondContact OD1-OG 3.21Å; N646-R651 PolarHBondContact OD1-N 2.98Å; N646-F683 HydrophobicContact CB-CD1 4.07Å; N646-F683 HydrophobicContact CB-CE1 3.52Å; N646-F683 HydrophobicContact CB-CZ 4.28Å
647	P	92.8	Very high	95	Very high	80 Å²	80	16.1 Å²	16.1	52%	0.519	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.6	-173.4	-27.4	36.2	0	0	0	115.4	M649	P647-M649 VanDerWaalsContact C-N 3.25Å; P647-M649 PolarHBondContact O-N 3.48Å
648	T	92.6	Very high	95.1	Very high	59 Å²	59	18.4 Å²	18.4	36%	0.362	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-0.9	176.4	42.4	0	0	0	0	114	N646 S650 M812	N646-T648 PolarHBondContact ND2-OG1 3Å; N646-T648 PolarHBondContact O-N 3.26Å; N646-T648 VanDerWaalsContact O-N 3.15Å; T648-S650 PolarHBondContact O-N 3.37Å; T648-S650 PolarHBondContact OG1-OG 2.93Å; T648-M812 WeakPolarHBondContact O-CE 3.38Å
649	M	94.7	Very high	94.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	53.9	34.4	-178.5	-48.8	-60.8	158.8	0	0	113.1	I615 L620 I622 S644 N646 P647 W652 M812	I615-M649 HydrophobicContact CD1-CB 4.2Å; I615-M649 HydrophobicContact CD1-CG 3.58Å; L620-M649 HydrophobicContact CB-CE 3.87Å; L620-M649 HydrophobicContact CD2-CE 4.04Å; L620-M649 HydrophobicContact CG-CE 3.9Å; I622-M649 HydrophobicContact CB-SD 4.27Å; I622-M649 HydrophobicContact CG1-CE 4.33Å; I622-M649 HydrophobicContact CG1-CG 4.45Å; I622-M649 HydrophobicContact CG1-SD 3.78Å; S644-M649 WeakPolarHBondContact CB-SD 3.36Å; S644-M649 PolarHBondContact OG-SD 3.23Å; N646-M649 PolarHBondContact O-N 2.85Å; P647-M649 VanDerWaalsContact C-N 3.25Å; P647-M649 PolarHBondContact O-N 3.48Å; M649-W652 HydrophobicContact CB-CZ2 4.47Å; M649-W652 WeakPolarHBondContact O-CZ2 3.41Å; M649-W652 PolarHBondContact O-NE1 3.43Å; M649-M812 HydrophobicContact CB-CE 4.29Å; M649-M812 WeakPolarHBondContact O-CE 3.41Å
650	S	93.4	Very high	94.4	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.021	13%	0.128	C	C	.	.			trans	-104	-24.8	-173.7	44.6	0	0	0	0	113.4	E609 N646 T648 W652 Y814	E609-S650 WeakPolarHBondContact OE2-CB 3.41Å; E609-S650 PolarHBondContact OE2-OG 3.22Å; N646-S650 PolarHBondContact ND2-OG 3.44Å; N646-S650 PolarHBondContact OD1-N 3Å; N646-S650 PolarHBondContact OD1-OG 3.21Å; T648-S650 PolarHBondContact O-N 3.37Å; T648-S650 PolarHBondContact OG1-OG 2.93Å; S650-W652 PolarHBondContact O-NE1 3.32Å; S650-Y814 WeakPolarHBondContact CA-OH 3.37Å; S650-Y814 WeakPolarHBondContact CB-OH 3.42Å
651	R	94.9	Very high	93.6	Very high	92 Å²	92	31 Å²	31	35%	0.347	15%	0.153	S	C	.	.			trans	-104.1	146.5	173.1	-64.6	-179.8	-174.9	-139.1	-3.4	111.3	E609 S644 L645 N646	E609-R651 VanDerWaalsContact CD-NE 3.27Å; E609-R651 HydrophobicContact CG-CG 3.93Å; E609-R651 IonicContact OE1-CZ 3.57Å; E609-R651 VanDerWaalsContact OE1-CZ 3.26Å; E609-R651 IonicContact OE1-NE 3.53Å; E609-R651 PolarHBondContact OE1-NE 3.35Å; E609-R651 IonicContact OE1-NH2 2.71Å; E609-R651 PolarHBondContact OE1-NH2 3.29Å; E609-R651 IonicContact OE2-NE 3.66Å; S644-R651 CarbonylContact C-O 3.49Å; S644-R651 WeakPolarHBondContact CA-O 3.31Å; L645-R651 HydrophobicContact CB-CB 4.15Å; L645-R651 PolarHBondContact N-O 2.74Å; N646-R651 PolarHBondContact OD1-N 2.98Å
652	W	96.8	Very high	92.4	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.015	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	119	-167.7	-60.1	92.7	0	0	0	112.6	V642 A643 M649 S650 P825 Y828 D850 L852	V642-W652 HydrophobicContact CG1-CB 4.05Å; V642-W652 HydrophobicContact CG1-CD2 4.25Å; V642-W652 HydrophobicContact CG1-CE3 3.77Å; V642-W652 HydrophobicContact CG1-CG 4.41Å; A643-W652 CarbonylContact O-C 3.48Å; A643-W652 VanDerWaalsContact O-CA 3.32Å; A643-W652 WeakPolarHBondContact O-CA 3.4Å; M649-W652 HydrophobicContact CB-CZ2 4.47Å; M649-W652 WeakPolarHBondContact O-CZ2 3.41Å; M649-W652 PolarHBondContact O-NE1 3.43Å; S650-W652 PolarHBondContact O-NE1 3.32Å; W652-P825 HydrophobicContact CH2-CB 4.07Å; W652-P825 HydrophobicContact CH2-CG 4.39Å; W652-P825 HydrophobicContact CZ3-CB 3.78Å; W652-Y828 HydrophobicContact CD2-CD2 4.17Å; W652-Y828 HydrophobicContact CD2-CE2 4.16Å; W652-Y828 AromaticContact CE2-CE2 3.62Å; W652-Y828 HydrophobicContact CG-CE2 4.46Å; W652-Y828 HydrophobicContact CZ2-CD2 4.34Å; W652-Y828 AromaticContact CZ2-CE2 3.91Å; W652-Y828 HydrophobicContact CZ2-CE2 3.91Å; W652-Y828 AromaticContact NE1-CE2 3.64Å; W652-D850 CarbonylContact O-C 3.46Å; W652-L852 HydrophobicContact CB-CD2 3.82Å; W652-L852 HydrophobicContact CG-CD2 4.04Å
653	Y	97.8	Very high	91.7	Very high	7 Å²	7	35.2 Å²	35.2	3%	0.027	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	148.3	159.9	176.5	-95	0	0	0	109.7	L641 V642 A643 K655 A676 D679 D849	L641-Y653 HydrophobicContact CD2-CD1 4.2Å; L641-Y653 HydrophobicContact CD2-CE1 4.3Å; V642-Y653 CarbonylContact C-O 3.42Å; V642-Y653 VanDerWaalsContact CA-O 3.3Å; V642-Y653 WeakPolarHBondContact CA-O 3.45Å; V642-Y653 WeakPolarHBondContact CG1-O 3.49Å; A643-Y653 PolarHBondContact N-O 3.23Å; A643-Y653 PolarHBondContact O-N 2.95Å; Y653-K655 HydrophobicContact CE1-CB 3.91Å; Y653-K655 WeakPolarHBondContact OH-CD 3.36Å; Y653-A676 HydrophobicContact CD1-CB 3.51Å; Y653-A676 HydrophobicContact CE1-CB 3.87Å; Y653-A676 HydrophobicContact CG-CB 4.19Å; Y653-D679 HydrophobicContact CD2-CB 4.2Å; Y653-D679 WeakPolarHBondContact CE2-OD2 3.3Å; Y653-D849 CarbonylContact C-O 3.59Å; Y653-D849 HydrophobicContact CD2-CB 4.04Å; Y653-D849 HydrophobicContact CE2-CB 3.66Å; Y653-D849 PolarHBondContact OH-OD2 2.82Å
654	S	97.3	Very high	90.9	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.014	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	139.8	179.9	70	0	0	0	0	113.1	L641 D849 Y854	L641-S654 CarbonylContact O-C 3.58Å; L641-S654 WeakPolarHBondContact O-CA 3.38Å; S654-D849 PolarHBondContact N-O 2.77Å; S654-D849 WeakPolarHBondContact O-CA 3.17Å; S654-D849 WeakPolarHBondContact O-CB 3.28Å; S654-D849 PolarHBondContact OG-O 2.64Å; S654-Y854 WeakPolarHBondContact OG-CE1 3.4Å
655	K	96	Very high	90.4	Very high	47 Å²	47	37.9 Å²	37.9	20%	0.204	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	152.7	179.7	-151.7	62.8	169.9	-175.8	0	112.1	A640 L641 Y653 A672 D849	A640-K655 CarbonylContact C-O 3.54Å; A640-K655 WeakPolarHBondContact CA-O 3.32Å; L641-K655 PolarHBondContact N-O 3.43Å; L641-K655 PolarHBondContact O-N 3.32Å; Y653-K655 HydrophobicContact CE1-CB 3.91Å; Y653-K655 WeakPolarHBondContact OH-CD 3.36Å; K655-A672 HydrophobicContact CB-CB 4.16Å; K655-A672 HydrophobicContact CG-CB 4.37Å; K655-D849 WeakPolarHBondContact CD-OD1 3.3Å; K655-D849 WeakPolarHBondContact CD-OD2 3.47Å; K655-D849 WeakPolarHBondContact CE-OD2 3.36Å; K655-D849 IonicContact NZ-OD1 3.66Å; K655-D849 PolarHBondContact NZ-OD1 3.33Å; K655-D849 IonicContact NZ-OD2 3.49Å; K655-D849 PolarHBondContact NZ-OD2 3.29Å
656	C	93.7	Very high	89.9	Confident	6 Å²	6	37.4 Å²	37.4	4%	0.041	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	145.5	172.4	78.4	0	0	0	0	113.2	I638 G639 L832 Q843 P844	I638-C656 HydrophobicContact CG2-CB 4.02Å; G639-C656 CarbonylContact O-C 3.46Å; G639-C656 VanDerWaalsContact O-CA 3.25Å; G639-C656 WeakPolarHBondContact O-CA 3.49Å; G639-C656 WeakPolarHBondContact O-CB 3.41Å; C656-L832 HydrophobicContact CB-CD2 4.46Å; C656-L832 HydrophobicContact CB-CG 4.38Å; C656-Q843 PolarHBondContact O-NE2 2.7Å; C656-P844 WeakPolarHBondContact SG-CD 3.33Å
657	V	91.5	Very high	89.4	Confident	16 Å²	16	40.6 Å²	40.6	10%	0.097	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.7	177.7	-178.9	0	0	0	0	108.4	I638 G639 Q659 M666	I638-V657 WeakPolarHBondContact CA-O 3.49Å; G639-V657 PolarHBondContact N-O 2.89Å; G639-V657 PolarHBondContact O-N 2.64Å; V657-Q659 HydrophobicContact CG1-CG 4.27Å; V657-M666 HydrophobicContact CB-CG 4.36Å; V657-M666 HydrophobicContact CG2-CE 4.38Å; V657-M666 HydrophobicContact CG2-CG 4.18Å; V657-M666 HydrophobicContact CG2-SD 4.03Å
658	L	89.9	Confident	89.1	Confident	48 Å²	48	37.1 Å²	37.1	25%	0.251	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	117	173.6	-54.1	-179.6	0	0	0	108.3	I638 V836 Q843	I638-L658 HydrophobicContact CD1-CD2 3.44Å; I638-L658 VanDerWaalsContact CD1-CD2 3.44Å; L658-V836 HydrophobicContact CD2-CG1 4.38Å; L658-Q843 HydrophobicContact CD1-CG 3.94Å; L658-Q843 HydrophobicContact CD2-CG 4.28Å; L658-Q843 HydrophobicContact CG-CG 3.76Å
659	Q	86.6	Confident	89.1	Confident	7 Å²	7	34.3 Å²	34.3	3%	0.033	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	163.3	-175.4	-87.3	147.8	-115.9	0	0	111.3	R636 S637 V657 Q663 I665	R636-Q659 WeakPolarHBondContact CB-O 3.18Å; S637-Q659 PolarHBondContact N-O 2.86Å; S637-Q659 VanDerWaalsContact N-O 3.09Å; S637-Q659 PolarHBondContact O-N 3.18Å; V657-Q659 HydrophobicContact CG1-CG 4.27Å; Q659-Q663 HydrophobicContact CB-CB 4.35Å; Q659-Q663 HydrophobicContact CB-CG 4.47Å; Q659-Q663 HydrophobicContact CG-CG 4.5Å; Q659-Q663 PolarHBondContact NE2-O 3.07Å; Q659-I665 PolarHBondContact NE2-O 3.14Å; Q659-I665 VanDerWaalsContact NE2-O 3.08Å
660	H	84	Confident	89	Confident	144 Å²	144	38.1 Å²	38.1	67%	0.667	19%	0.192	S	C	*	.			trans	-62.8	160.4	172.9	-64.5	-87.7	0	0	0	111.5	S637 G662 Q663	S637-H660 VanDerWaalsContact CB-O 3.22Å; S637-H660 WeakPolarHBondContact CB-O 3.21Å; S637-H660 PolarHBondContact OG-O 2.84Å; H660-G662 PolarHBondContact O-N 2.76Å; H660-Q663 HydrophobicContact CB-CB 4.34Å; H660-Q663 VanDerWaalsContact CB-OE1 3.32Å; H660-Q663 PolarHBondContact CD2-OE1 2.89Å; H660-Q663 VanDerWaalsContact O-CB 3.29Å; H660-Q663 WeakPolarHBondContact O-CB 3.48Å; H660-Q663 PolarHBondContact O-N 2.94Å
661	K	80.5	Confident	89	Confident	117 Å²	117	45 Å²	45	51%	0.509	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	124.1	-176.2	176.7	-175.4	171.1	-173.3	0	111.1	Q663	K661-Q663 PolarHBondContact O-N 2.9Å
662	G	73.3	Confident	89.1	Confident	50 Å²	50	40.8 Å²	40.8	52%	0.515	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	2.7	179.4	0	0	0	0	0	115.9	S637 H660 E664	S637-G662 PolarHBondContact OG-N 2.86Å; H660-G662 PolarHBondContact O-N 2.76Å; G662-E664 PolarHBondContact O-N 2.82Å
663	Q	82.6	Confident	89.1	Confident	40 Å²	40	40.7 Å²	40.7	19%	0.187	21%	0.21	C	C	.	.			trans	-77.6	98.6	178.7	-178.4	-174	4.3	0	0	111.5	H629 S637 Q659 H660 K661 I665 D667	H629-Q663 PolarHBondContact CE1-O 3.45Å; H629-Q663 VanDerWaalsContact CE1-O 3.32Å; S637-Q663 PolarHBondContact OG-N 2.92Å; Q659-Q663 HydrophobicContact CB-CB 4.35Å; Q659-Q663 HydrophobicContact CB-CG 4.47Å; Q659-Q663 HydrophobicContact CG-CG 4.5Å; Q659-Q663 PolarHBondContact NE2-O 3.07Å; H660-Q663 HydrophobicContact CB-CB 4.34Å; H660-Q663 VanDerWaalsContact CB-OE1 3.32Å; H660-Q663 PolarHBondContact CD2-OE1 2.89Å; H660-Q663 VanDerWaalsContact O-CB 3.29Å; H660-Q663 WeakPolarHBondContact O-CB 3.48Å; H660-Q663 PolarHBondContact O-N 2.94Å; K661-Q663 PolarHBondContact O-N 2.9Å; Q663-I665 WeakPolarHBondContact CG-O 3.31Å; Q663-D667 PolarHBondContact NE2-OD1 3.35Å; Q663-D667 PolarHBondContact NE2-OD2 3.28Å
664	E	82.3	Confident	89	Confident	31 Å²	31	41.4 Å²	41.4	15%	0.145	22%	0.215	C	C	.	.			trans	-68.1	-39.6	178.2	-179.2	69.1	-124	0	0	113	C627 H629 G662 R695 V698	C627-E664 WeakPolarHBondContact CB-OE1 3.5Å; C627-E664 PolarHBondContact SG-O 3.31Å; H629-E664 IonicContact CD2-OE2 3.95Å; H629-E664 IonicContact NE2-OE2 3.33Å; H629-E664 PolarHBondContact NE2-OE2 3.48Å; G662-E664 PolarHBondContact O-N 2.82Å; E664-R695 PolarHBondContact O-NH2 3.13Å; E664-R695 IonicContact OE1-NH1 2.69Å; E664-R695 PolarHBondContact OE1-NH1 3.25Å; E664-R695 VanDerWaalsContact OE1-NH1 3.07Å; E664-V698 HydrophobicContact CG-CG2 4.47Å
665	I	86.8	Confident	89	Confident	25 Å²	25	42.1 Å²	42.1	13%	0.128	22%	0.222	C	C	.	.	S	Bend	trans	-76.4	140.5	-177.8	-61.5	-62.5	0	0	0	110.9	Q659 Q663 V706 Y709 E710	Q659-I665 PolarHBondContact NE2-O 3.14Å; Q659-I665 VanDerWaalsContact NE2-O 3.08Å; Q663-I665 WeakPolarHBondContact CG-O 3.31Å; I665-V706 HydrophobicContact CD1-CG2 3.96Å; I665-Y709 HydrophobicContact CG2-CD1 3.5Å; I665-Y709 HydrophobicContact CG2-CE1 4.05Å; I665-Y709 HydrophobicContact CG2-CG 4.48Å; I665-E710 WeakPolarHBondContact CA-OE1 3.08Å; I665-E710 HydrophobicContact CG2-CG 3.92Å
666	M	85.5	Confident	89.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.213	C	C	.	.			trans	-96.6	116.6	-173.5	-177.9	-174.4	-75.6	0	0	113.1	I625 V657 L669 E710 Q713	I625-M666 HydrophobicContact CG2-CE 3.86Å; V657-M666 HydrophobicContact CB-CG 4.36Å; V657-M666 HydrophobicContact CG2-CE 4.38Å; V657-M666 HydrophobicContact CG2-CG 4.18Å; V657-M666 HydrophobicContact CG2-SD 4.03Å; M666-L669 HydrophobicContact CG-CB 4.02Å; M666-L669 HydrophobicContact SD-CB 3.74Å; M666-L669 HydrophobicContact SD-CD1 3.85Å; M666-L669 HydrophobicContact SD-CG 4.34Å; M666-E710 PolarHBondContact N-OE1 2.81Å; M666-Q713 PolarHBondContact O-NE2 3.33Å; M666-Q713 PolarHBondContact O-OE1 3.1Å
667	D	84.5	Confident	89.2	Confident	74 Å²	74	39.6 Å²	39.6	40%	0.396	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-14.2	177.8	-54.5	-1.4	0	0	0	114	Q663 Y709 Q713	Q663-D667 PolarHBondContact NE2-OD1 3.35Å; Q663-D667 PolarHBondContact NE2-OD2 3.28Å; D667-Y709 HydrophobicContact CB-CE1 4.35Å; D667-Y709 WeakPolarHBondContact CB-OH 3.48Å; D667-Y709 WeakPolarHBondContact OD1-CE1 3.48Å; D667-Y709 PolarHBondContact OD1-OH 3.34Å; D667-Q713 VanDerWaalsContact C-OE1 3.25Å; D667-Q713 PolarHBondContact O-OE1 3.14Å; D667-Q713 VanDerWaalsContact O-OE1 3.06Å
668	G	86.3	Confident	89.5	Confident	7 Å²	7	44.5 Å²	44.5	7%	0.072	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	11.8	-178.6	0	0	0	0	0	114.1	K670 M671 A672	G668-K670 VanDerWaalsContact C-N 3.32Å; G668-K670 PolarHBondContact O-N 3.05Å; G668-M671 PolarHBondContact O-N 2.9Å; G668-A672 PolarHBondContact O-N 3.17Å
669	L	92.5	Very high	89.7	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-64.8	-37.6	-171.5	179.7	56.5	0	0	0	111.5	I625 L641 M666 M671 A672 L673 E710 Q713 M714	I625-L669 HydrophobicContact CD1-CD1 3.68Å; I625-L669 HydrophobicContact CD1-CD2 4.19Å; L641-L669 HydrophobicContact CD1-CD1 3.52Å; M666-L669 HydrophobicContact CG-CB 4.02Å; M666-L669 HydrophobicContact SD-CB 3.74Å; M666-L669 HydrophobicContact SD-CD1 3.85Å; M666-L669 HydrophobicContact SD-CG 4.34Å; L669-M671 VanDerWaalsContact C-N 3.33Å; L669-M671 PolarHBondContact O-N 3.26Å; L669-A672 PolarHBondContact O-N 3.17Å; L669-A672 VanDerWaalsContact O-N 3.16Å; L669-L673 PolarHBondContact O-N 2.8Å; L669-E710 HydrophobicContact CD2-CB 3.89Å; L669-E710 WeakPolarHBondContact CD2-O 3.35Å; L669-Q713 HydrophobicContact CB-CB 4.21Å; L669-Q713 HydrophobicContact CD2-CB 4.5Å; L669-Q713 HydrophobicContact CG-CB 4.47Å; L669-M714 HydrophobicContact CD2-CE 3.67Å; L669-M714 HydrophobicContact CD2-CG 3.82Å; L669-M714 HydrophobicContact CG-CG 4.38Å
670	K	93.8	Very high	90.2	Very high	80 Å²	80	43.6 Å²	43.6	35%	0.348	23%	0.226	S	C	.	.	H	α-helix	trans	-54.8	-46.2	177.8	-171.3	176.4	-174.6	165.4	0	112.2	G668 T674 Q713 D716 S717	G668-K670 VanDerWaalsContact C-N 3.32Å; G668-K670 PolarHBondContact O-N 3.05Å; K670-T674 VanDerWaalsContact O-CB 3.3Å; K670-T674 WeakPolarHBondContact O-CB 3.32Å; K670-T674 PolarHBondContact O-N 3.22Å; K670-T674 VanDerWaalsContact O-N 3.12Å; K670-T674 PolarHBondContact O-OG1 3.16Å; K670-Q713 HydrophobicContact CB-CB 4.32Å; K670-Q713 HydrophobicContact CB-CG 4.42Å; K670-D716 HydrophobicContact CD-CB 3.87Å; K670-D716 WeakPolarHBondContact CE-O 3.31Å; K670-D716 HydrophobicContact CG-CB 4.35Å; K670-D716 IonicContact NZ-OD2 3.87Å; K670-D716 PolarHBondContact NZ-OD2 2.88Å; K670-S717 VanDerWaalsContact CA-OG 3.25Å; K670-S717 WeakPolarHBondContact CA-OG 3.22Å; K670-S717 PolarHBondContact O-OG 2.8Å
671	M	93.3	Very high	90.8	Very high	148 Å²	148	40.3 Å²	40.3	73%	0.729	21%	0.213	S	C	*	.	H	α-helix	trans	-68.4	-41.1	178.8	-65.8	-170.7	-66.6	0	0	112.2	G668 L669 G675	G668-M671 PolarHBondContact O-N 2.9Å; L669-M671 VanDerWaalsContact C-N 3.33Å; L669-M671 PolarHBondContact O-N 3.26Å; M671-G675 PolarHBondContact O-N 3.28Å; M671-G675 VanDerWaalsContact O-N 3.08Å
672	A	95.4	Very high	91.5	Very high	3 Å²	3	41.2 Å²	41.2	3%	0.025	22%	0.217	C	C	.	.	H	α-helix	trans	-68.2	-40.8	-177.3	0	0	0	0	0	112.8	L641 K655 G668 L669 A676	L641-A672 HydrophobicContact CB-CB 4.1Å; L641-A672 HydrophobicContact CD1-CB 4.07Å; L641-A672 HydrophobicContact CD2-CB 4.46Å; L641-A672 HydrophobicContact CG-CB 4.44Å; K655-A672 HydrophobicContact CB-CB 4.16Å; K655-A672 HydrophobicContact CG-CB 4.37Å; G668-A672 PolarHBondContact O-N 3.17Å; L669-A672 PolarHBondContact O-N 3.17Å; L669-A672 VanDerWaalsContact O-N 3.16Å; A672-A676 PolarHBondContact O-N 2.92Å; A672-A676 VanDerWaalsContact O-N 3.13Å
673	L	97.3	Very high	92.4	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-75.7	-38.8	178.3	-176.7	62	0	0	0	112.2	M621 V623 L641 L669 G675 A676 L677 M714	M621-L673 HydrophobicContact SD-CD1 4.3Å; V623-L673 HydrophobicContact CG2-CD1 4.25Å; L641-L673 HydrophobicContact CD1-CB 4.27Å; L669-L673 PolarHBondContact O-N 2.8Å; L673-G675 PolarHBondContact O-N 2.76Å; L673-A676 PolarHBondContact O-N 2.97Å; L673-L677 HydrophobicContact CD1-CD1 4.37Å; L673-L677 HydrophobicContact CD1-CG 4.24Å; L673-L677 HydrophobicContact CG-CD1 3.98Å; L673-L677 HydrophobicContact CG-CG 4.34Å; L673-L677 WeakPolarHBondContact O-CB 3.27Å; L673-L677 WeakPolarHBondContact O-CG 3.08Å; L673-L677 PolarHBondContact O-N 2.83Å; L673-M714 HydrophobicContact CD2-CB 3.86Å; L673-M714 HydrophobicContact CD2-CG 3.98Å
674	T	96.8	Very high	92.9	Very high	22 Å²	22	43 Å²	43	14%	0.135	21%	0.212	C	C	.	.	H	α-helix	trans	-62.4	-31.3	173.2	-62.6	0	0	0	0	111.9	K670 K678 S717 S720 L721	K670-T674 VanDerWaalsContact O-CB 3.3Å; K670-T674 WeakPolarHBondContact O-CB 3.32Å; K670-T674 PolarHBondContact O-N 3.22Å; K670-T674 VanDerWaalsContact O-N 3.12Å; K670-T674 PolarHBondContact O-OG1 3.16Å; T674-K678 VanDerWaalsContact O-CG 3.32Å; T674-K678 WeakPolarHBondContact O-CG 3.29Å; T674-K678 PolarHBondContact O-N 3.03Å; T674-S717 WeakPolarHBondContact OG1-CA 3.5Å; T674-S717 VanDerWaalsContact OG1-CB 3.24Å; T674-S717 WeakPolarHBondContact OG1-CB 2.98Å; T674-S717 PolarHBondContact OG1-OG 3.11Å; T674-S717 VanDerWaalsContact OG1-OG 3.06Å; T674-S720 PolarHBondContact OG1-OG 3.07Å; T674-L721 HydrophobicContact CG2-CD2 4.14Å
675	G	96.1	Very high	93.5	Very high	17 Å²	17	48.6 Å²	48.6	18%	0.175	24%	0.243	C	C	.	.	H	α-helix	trans	-63.5	-57.5	168.1	0	0	0	0	0	112.1	M671 L673 L677 K678 D679	M671-G675 PolarHBondContact O-N 3.28Å; M671-G675 VanDerWaalsContact O-N 3.08Å; L673-G675 PolarHBondContact O-N 2.76Å; G675-L677 VanDerWaalsContact C-N 3.27Å; G675-L677 PolarHBondContact O-N 3.2Å; G675-K678 PolarHBondContact O-N 3.17Å; G675-D679 PolarHBondContact O-N 3.39Å
676	A	97.6	Very high	93.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-52.9	-40.7	180	0	0	0	0	0	113.9	M621 L641 A643 Y653 A672 L673 Y680	M621-A676 HydrophobicContact CE-CB 4.31Å; M621-A676 WeakPolarHBondContact CE-O 3.46Å; L641-A676 HydrophobicContact CD2-CB 4.2Å; A643-A676 HydrophobicContact CB-CB 3.68Å; Y653-A676 HydrophobicContact CD1-CB 3.51Å; Y653-A676 HydrophobicContact CE1-CB 3.87Å; Y653-A676 HydrophobicContact CG-CB 4.19Å; A672-A676 PolarHBondContact O-N 2.92Å; A672-A676 VanDerWaalsContact O-N 3.13Å; L673-A676 PolarHBondContact O-N 2.97Å; A676-Y680 WeakPolarHBondContact O-CB 3.35Å; A676-Y680 PolarHBondContact O-N 3.33Å
677	L	97.6	Very high	94.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-69.5	-34.4	178.5	-70.8	168	0	0	0	112.7	M621 L673 G675 L681 L687 P688 I691 L721	M621-L677 HydrophobicContact CE-CD2 3.88Å; M621-L677 HydrophobicContact CE-CG 4.43Å; M621-L677 HydrophobicContact SD-CD2 4.03Å; L673-L677 HydrophobicContact CD1-CD1 4.37Å; L673-L677 HydrophobicContact CD1-CG 4.24Å; L673-L677 HydrophobicContact CG-CD1 3.98Å; L673-L677 HydrophobicContact CG-CG 4.34Å; L673-L677 WeakPolarHBondContact O-CB 3.27Å; L673-L677 WeakPolarHBondContact O-CG 3.08Å; L673-L677 PolarHBondContact O-N 2.83Å; G675-L677 VanDerWaalsContact C-N 3.27Å; G675-L677 PolarHBondContact O-N 3.2Å; L677-L681 WeakPolarHBondContact O-CB 3.44Å; L677-L681 PolarHBondContact O-N 2.7Å; L677-L687 HydrophobicContact CB-CD2 4.39Å; L677-P688 HydrophobicContact CD2-CG 3.54Å; L677-I691 HydrophobicContact CD2-CD1 3.85Å; L677-I691 HydrophobicContact CD2-CG1 4.49Å; L677-L721 HydrophobicContact CB-CD1 3.44Å; L677-L721 VanDerWaalsContact CB-CD1 3.44Å; L677-L721 HydrophobicContact CD1-CD1 3.86Å; L677-L721 HydrophobicContact CG-CD1 4.24Å
678	K	96.3	Very high	95	Very high	119 Å²	119	47.7 Å²	47.7	52%	0.517	24%	0.241	S	C	.	.	H	α-helix	trans	-69.6	-42.3	175	-74.9	177.2	179	-172.1	0	112	T674 G675 Y680 L681 K682 L721	T674-K678 VanDerWaalsContact O-CG 3.32Å; T674-K678 WeakPolarHBondContact O-CG 3.29Å; T674-K678 PolarHBondContact O-N 3.03Å; G675-K678 PolarHBondContact O-N 3.17Å; K678-Y680 VanDerWaalsContact C-N 3.34Å; K678-L681 PolarHBondContact O-N 2.78Å; K678-K682 WeakPolarHBondContact O-CB 3.34Å; K678-K682 PolarHBondContact O-N 3.24Å; K678-L721 HydrophobicContact CG-CD2 4.11Å
679	D	95.7	Very high	95.5	Very high	34 Å²	34	49.7 Å²	49.7	18%	0.182	25%	0.254	C	S	.	.	H	α-helix	trans	-71.3	-29.2	175.6	-73.2	-56.1	0	0	0	112.2	L645 Y653 G675 K682 F683	L645-D679 HydrophobicContact CD2-CB 4.07Å; Y653-D679 HydrophobicContact CD2-CB 4.2Å; Y653-D679 WeakPolarHBondContact CE2-OD2 3.3Å; G675-D679 PolarHBondContact O-N 3.39Å; D679-K682 VanDerWaalsContact OD1-CD 3.29Å; D679-K682 WeakPolarHBondContact OD1-CD 3.39Å; D679-K682 IonicContact OD1-NZ 2.67Å; D679-K682 PolarHBondContact OD1-NZ 3.47Å; D679-F683 WeakPolarHBondContact O-CB 3.43Å; D679-F683 PolarHBondContact O-N 3.44Å
680	Y	96.7	Very high	95.7	Very high	2 Å²	2	52 Å²	52	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-64.8	-45.6	168.4	-168.4	-76.8	0	0	0	112.1	L620 M621 S644 A676 K678 F683 N684 C686 P688	L620-Y680 PolarHBondContact N-OH 2.94Å; L620-Y680 WeakPolarHBondContact O-CE2 3.3Å; L620-Y680 PolarHBondContact O-OH 2.75Å; M621-Y680 HydrophobicContact CB-CD2 4.27Å; M621-Y680 HydrophobicContact CB-CE2 4.08Å; M621-Y680 VanDerWaalsContact CE-CB 3.49Å; M621-Y680 HydrophobicContact CE-CD2 3.56Å; M621-Y680 HydrophobicContact CE-CE2 4.48Å; M621-Y680 HydrophobicContact CE-CG 3.76Å; S644-Y680 WeakPolarHBondContact O-CD2 3.44Å; A676-Y680 WeakPolarHBondContact O-CB 3.35Å; A676-Y680 PolarHBondContact O-N 3.33Å; K678-Y680 VanDerWaalsContact C-N 3.34Å; Y680-F683 PolarHBondContact O-N 3.2Å; Y680-F683 VanDerWaalsContact O-N 3.16Å; Y680-N684 HydrophobicContact CD1-CB 4.22Å; Y680-N684 WeakPolarHBondContact CD1-ND2 3.43Å; Y680-N684 HydrophobicContact CE1-CB 4.01Å; Y680-N684 WeakPolarHBondContact CE1-ND2 3.35Å; Y680-N684 WeakPolarHBondContact O-CB 3.42Å; Y680-N684 PolarHBondContact O-N 3.24Å; Y680-N684 PolarHBondContact O-ND2 2.87Å; Y680-C686 WeakPolarHBondContact CD1-O 3.22Å; Y680-P688 HydrophobicContact CD1-CB 4.23Å; Y680-P688 HydrophobicContact CD1-CG 4.16Å; Y680-P688 HydrophobicContact CE1-CB 3.75Å; Y680-P688 HydrophobicContact CE1-CG 4.19Å; Y680-P688 HydrophobicContact CE2-CB 4.29Å; Y680-P688 HydrophobicContact CG-CG 4.42Å
681	L	96.1	Very high	96	Very high	75 Å²	75	48.1 Å²	48.1	39%	0.393	25%	0.246	S	C	.	.	H	α-helix	trans	-59	-47.1	175.6	173.5	58.3	0	0	0	111.4	L677 K678 F683 N684 N685 L687	L677-L681 WeakPolarHBondContact O-CB 3.44Å; L677-L681 PolarHBondContact O-N 2.7Å; K678-L681 PolarHBondContact O-N 2.78Å; L681-F683 VanDerWaalsContact C-N 3.27Å; L681-F683 PolarHBondContact O-N 3.44Å; L681-N684 PolarHBondContact O-N 3.26Å; L681-N685 WeakPolarHBondContact O-CA 3.29Å; L681-N685 PolarHBondContact O-N 3.18Å; L681-L687 HydrophobicContact CB-CD2 3.97Å; L681-L687 HydrophobicContact CB-CG 4.46Å; L681-L687 HydrophobicContact CD1-CG 4.41Å; L681-L687 HydrophobicContact CD2-CD2 4.39Å; L681-L687 HydrophobicContact CD2-CG 4.47Å
682	K	94.6	Very high	96.2	Very high	135 Å²	135	41.1 Å²	41.1	59%	0.587	21%	0.211	S	C	*	.	H	α-helix	trans	-60	-31	174.4	171.3	-167.4	169.1	-151.8	0	113.5	K678 D679 D850	K678-K682 WeakPolarHBondContact O-CB 3.34Å; K678-K682 PolarHBondContact O-N 3.24Å; D679-K682 VanDerWaalsContact OD1-CD 3.29Å; D679-K682 WeakPolarHBondContact OD1-CD 3.39Å; D679-K682 IonicContact OD1-NZ 2.67Å; D679-K682 PolarHBondContact OD1-NZ 3.47Å; K682-D850 IonicContact NZ-OD2 3.16Å
683	F	92.3	Very high	96.4	Very high	91 Å²	91	41 Å²	41	40%	0.399	21%	0.211	S	C	.	.	H	α-helix	trans	-87.2	-34.4	179.9	-166.9	-89.5	0	0	0	113.7	L645 N646 D679 Y680 L681	L645-F683 VanDerWaalsContact O-CD1 3.28Å; L645-F683 WeakPolarHBondContact O-CD1 3.36Å; N646-F683 HydrophobicContact CB-CD1 4.07Å; N646-F683 HydrophobicContact CB-CE1 3.52Å; N646-F683 HydrophobicContact CB-CZ 4.28Å; D679-F683 WeakPolarHBondContact O-CB 3.43Å; D679-F683 PolarHBondContact O-N 3.44Å; Y680-F683 PolarHBondContact O-N 3.2Å; Y680-F683 VanDerWaalsContact O-N 3.16Å; L681-F683 VanDerWaalsContact C-N 3.27Å; L681-F683 PolarHBondContact O-N 3.44Å
684	N	94.4	Very high	96.4	Very high	38 Å²	38	41 Å²	41	20%	0.203	21%	0.21	C	C	.	.	H	α-helix	trans	-110.7	-3	-171.9	-59	-89.5	0	0	0	113.8	L645 Y680 L681 C686	L645-N684 PolarHBondContact O-ND2 2.76Å; Y680-N684 HydrophobicContact CD1-CB 4.22Å; Y680-N684 WeakPolarHBondContact CD1-ND2 3.43Å; Y680-N684 HydrophobicContact CE1-CB 4.01Å; Y680-N684 WeakPolarHBondContact CE1-ND2 3.35Å; Y680-N684 WeakPolarHBondContact O-CB 3.42Å; Y680-N684 PolarHBondContact O-N 3.24Å; Y680-N684 PolarHBondContact O-ND2 2.87Å; L681-N684 PolarHBondContact O-N 3.26Å; N684-C686 PolarHBondContact O-N 3.42Å; N684-C686 PolarHBondContact O-SG 3.3Å
685	N	94.6	Very high	96.4	Very high	147 Å²	147	39.9 Å²	39.9	79%	0.786	20%	0.204	S	C	*	.	S	Bend	trans	53.8	16.8	-169.8	-59.8	-47.1	0	0	0	114.6	L681	L681-N685 WeakPolarHBondContact O-CA 3.29Å; L681-N685 PolarHBondContact O-N 3.18Å
686	C	94.7	Very high	96.4	Very high	42 Å²	42	39.2 Å²	39.2	28%	0.284	20%	0.196	S	C	.	.	S	Bend	trans	-151.9	155.2	175.6	57.8	0	0	0	0	110.5	Y680 N684	Y680-C686 WeakPolarHBondContact CD1-O 3.22Å; N684-C686 PolarHBondContact O-N 3.42Å; N684-C686 PolarHBondContact O-SG 3.3Å
687	L	96.4	Very high	95.7	Very high	38 Å²	38	40.8 Å²	40.8	20%	0.199	21%	0.212	C	C	.	.			trans	-78.8	152.6	171.3	-73.4	168.9	0	0	0	110.7	L677 L681 S689 L721 Y725	L677-L687 HydrophobicContact CB-CD2 4.39Å; L681-L687 HydrophobicContact CB-CD2 3.97Å; L681-L687 HydrophobicContact CB-CG 4.46Å; L681-L687 HydrophobicContact CD1-CG 4.41Å; L681-L687 HydrophobicContact CD2-CD2 4.39Å; L681-L687 HydrophobicContact CD2-CG 4.47Å; L687-S689 PolarHBondContact O-N 2.82Å; L687-L721 HydrophobicContact CD1-CB 4.33Å; L687-L721 HydrophobicContact CD1-CD1 4.48Å; L687-L721 HydrophobicContact CD2-CD1 3.8Å; L687-Y725 HydrophobicContact CB-CD2 4.21Å; L687-Y725 HydrophobicContact CB-CE1 4.45Å; L687-Y725 HydrophobicContact CB-CE2 3.57Å; L687-Y725 HydrophobicContact CD1-CD1 3.95Å; L687-Y725 HydrophobicContact CD1-CD2 3.95Å; L687-Y725 HydrophobicContact CD1-CE1 4.02Å; L687-Y725 HydrophobicContact CD1-CE2 4.04Å; L687-Y725 HydrophobicContact CD1-CG 3.93Å; L687-Y725 HydrophobicContact CG-CE2 4.39Å
688	P	97.2	Very high	95.2	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.			trans	-70.5	129.6	178.4	28.2	-31.5	0	0	0	110.2	Q619 M621 L677 Y680 R690 I691 Y725 P727	Q619-P688 CarbonylContact O-C 3.52Å; Q619-P688 VanDerWaalsContact O-CA 3.27Å; Q619-P688 WeakPolarHBondContact O-CA 3.43Å; Q619-P688 WeakPolarHBondContact O-CB 3.43Å; M621-P688 HydrophobicContact CB-CB 3.87Å; M621-P688 HydrophobicContact CB-CG 3.95Å; M621-P688 HydrophobicContact CE-CG 4.3Å; L677-P688 HydrophobicContact CD2-CG 3.54Å; Y680-P688 HydrophobicContact CD1-CB 4.23Å; Y680-P688 HydrophobicContact CD1-CG 4.16Å; Y680-P688 HydrophobicContact CE1-CB 3.75Å; Y680-P688 HydrophobicContact CE1-CG 4.19Å; Y680-P688 HydrophobicContact CE2-CB 4.29Å; Y680-P688 HydrophobicContact CG-CG 4.42Å; P688-R690 PolarHBondContact O-N 2.96Å; P688-I691 HydrophobicContact CG-CG1 4.11Å; P688-Y725 WeakPolarHBondContact CD-OH 3.38Å; P688-Y725 PolarHBondContact O-OH 2.88Å; P688-P727 WeakPolarHBondContact O-CB 3.46Å
689	S	96.6	Very high	94.6	Very high	50 Å²	50	36.8 Å²	36.8	35%	0.35	20%	0.204	S	C	.	.	S	Bend	trans	-77.6	-7.6	172.8	56.3	0	0	0	0	112.8	Q619 L687 K728	Q619-S689 VanDerWaalsContact CB-OG 3.29Å; Q619-S689 WeakPolarHBondContact CB-OG 3.43Å; Q619-S689 PolarHBondContact O-N 3.47Å; Q619-S689 PolarHBondContact OE1-OG 3.33Å; L687-S689 PolarHBondContact O-N 2.82Å; S689-K728 PolarHBondContact O-N 2.68Å
690	R	97.3	Very high	94.1	Very high	48 Å²	48	39.5 Å²	39.5	18%	0.181	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	137	172.2	-164.3	173.7	-53.4	150.3	14	112.7	Q619 L620 M621 P688 I692 K728	Q619-R690 PolarHBondContact O-N 3.21Å; L620-R690 CarbonylContact C-O 3.54Å; L620-R690 WeakPolarHBondContact CA-O 3.45Å; L620-R690 HydrophobicContact CD1-CB 3.96Å; L620-R690 HydrophobicContact CD1-CG 3.97Å; M621-R690 PolarHBondContact N-O 2.73Å; P688-R690 PolarHBondContact O-N 2.96Å; R690-I692 HydrophobicContact CG-CD1 4.39Å; R690-I692 HydrophobicContact CG-CG1 4.17Å; R690-K728 CarbonylContact C-O 3.45Å; R690-K728 VanDerWaalsContact CA-O 3.27Å; R690-K728 WeakPolarHBondContact CA-O 3.36Å; R690-K728 HydrophobicContact CB-CB 4.37Å; R690-K728 HydrophobicContact CG-CB 3.97Å; R690-K728 WeakPolarHBondContact CG-O 3.41Å
691	I	98.4	Very high	93.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.4	177	-55.5	167.7	0	0	0	107.9	M621 V623 L677 P688 V693 I718 P727 K728 L729 S730	M621-I691 HydrophobicContact CB-CG1 4.47Å; M621-I691 CarbonylContact O-C 3.43Å; M621-I691 WeakPolarHBondContact O-CA 3.3Å; V623-I691 HydrophobicContact CG2-CG2 3.96Å; L677-I691 HydrophobicContact CD2-CD1 3.85Å; L677-I691 HydrophobicContact CD2-CG1 4.49Å; P688-I691 HydrophobicContact CG-CG1 4.11Å; I691-V693 HydrophobicContact CG2-CG2 4.03Å; I691-I718 HydrophobicContact CD1-CD1 4.01Å; I691-I718 HydrophobicContact CD1-CG1 4.03Å; I691-P727 HydrophobicContact CD1-CB 4.24Å; I691-P727 HydrophobicContact CD1-CG 3.93Å; I691-P727 HydrophobicContact CG1-CB 4.46Å; I691-K728 PolarHBondContact N-O 2.84Å; I691-L729 HydrophobicContact CB-CD1 3.98Å; I691-L729 HydrophobicContact CG2-CD1 3.93Å; I691-L729 WeakPolarHBondContact O-CA 3.39Å; I691-S730 PolarHBondContact O-N 2.93Å
692	I	98.5	Very high	93	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	115.4	177.4	-59.9	179.1	0	0	0	109	L620 M621 I622 V623 R690 Y694 S730 L797 M802 L805	L620-I692 HydrophobicContact CD1-CB 4.45Å; L620-I692 HydrophobicContact CD1-CD1 3.9Å; L620-I692 HydrophobicContact CD1-CG1 3.92Å; M621-I692 PolarHBondContact O-N 3.35Å; I622-I692 WeakPolarHBondContact CA-O 3.2Å; I622-I692 HydrophobicContact CD1-CB 3.93Å; I622-I692 HydrophobicContact CD1-CG2 4.46Å; V623-I692 PolarHBondContact N-O 2.92Å; R690-I692 HydrophobicContact CG-CD1 4.39Å; R690-I692 HydrophobicContact CG-CG1 4.17Å; I692-Y694 HydrophobicContact CG2-CD2 4.27Å; I692-Y694 HydrophobicContact CG2-CE2 3.71Å; I692-S730 WeakPolarHBondContact CA-O 3.36Å; I692-L797 HydrophobicContact CD1-CD1 3.69Å; I692-M802 HydrophobicContact CG2-SD 4.34Å; I692-L805 HydrophobicContact CD1-CD2 3.5Å; I692-L805 VanDerWaalsContact CD1-CD2 3.5Å
693	V	98.7	Very high	92.7	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	125.4	-172.5	-170.4	0	0	0	0	110.4	V623 I625 I691 M714 L729 S730 V731 V732	V623-V693 HydrophobicContact CB-CB 4.33Å; V623-V693 HydrophobicContact CB-CG1 4.13Å; V623-V693 HydrophobicContact CB-CG2 4.07Å; V623-V693 HydrophobicContact CG1-CG1 4.21Å; V623-V693 HydrophobicContact CG2-CG2 4.37Å; V623-V693 CarbonylContact O-C 3.59Å; V623-V693 WeakPolarHBondContact O-CA 3.35Å; I625-V693 HydrophobicContact CD1-CG1 3.62Å; I625-V693 HydrophobicContact CG1-CG1 4.08Å; I691-V693 HydrophobicContact CG2-CG2 4.03Å; V693-M714 HydrophobicContact CB-CE 4.4Å; V693-M714 HydrophobicContact CB-SD 4.48Å; V693-M714 HydrophobicContact CG1-CE 3.95Å; V693-M714 HydrophobicContact CG2-CE 4.34Å; V693-M714 HydrophobicContact CG2-SD 3.87Å; V693-L729 HydrophobicContact CG2-CD1 3.99Å; V693-S730 PolarHBondContact N-O 3.34Å; V693-V731 HydrophobicContact CB-CG1 4.4Å; V693-V731 HydrophobicContact CB-CG2 4.2Å; V693-V731 HydrophobicContact CG2-CG2 4.33Å; V693-V731 WeakPolarHBondContact O-CA 3.46Å; V693-V732 PolarHBondContact O-N 2.87Å
694	Y	98.6	Very high	92.5	Very high	0 Å²	0	35 Å²	35	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	109	174.3	-69.2	-91.5	0	0	0	110.6	I622 V623 G624 I625 I692 V732 V734 T806 L809 P823 C826	I622-Y694 HydrophobicContact CG2-CD2 4.35Å; I622-Y694 HydrophobicContact CG2-CE2 4.44Å; V623-Y694 PolarHBondContact O-N 3.06Å; G624-Y694 WeakPolarHBondContact CA-O 3.44Å; I625-Y694 PolarHBondContact N-O 3.04Å; I692-Y694 HydrophobicContact CG2-CD2 4.27Å; I692-Y694 HydrophobicContact CG2-CE2 3.71Å; Y694-V732 CarbonylContact C-O 3.51Å; Y694-V732 WeakPolarHBondContact CA-O 3.23Å; Y694-V732 HydrophobicContact CD1-CB 3.83Å; Y694-V732 HydrophobicContact CD1-CG1 4.07Å; Y694-V732 HydrophobicContact CD1-CG2 4.39Å; Y694-V732 HydrophobicContact CE1-CB 4.08Å; Y694-V732 HydrophobicContact CE1-CG1 4.12Å; Y694-V732 HydrophobicContact CE1-CG2 4.25Å; Y694-V734 HydrophobicContact CD1-CG2 3.94Å; Y694-V734 HydrophobicContact CG-CG2 4.46Å; Y694-T806 HydrophobicContact CE1-CG2 3.91Å; Y694-T806 WeakPolarHBondContact CE1-OG1 3.48Å; Y694-T806 WeakPolarHBondContact OH-CA 3.36Å; Y694-T806 PolarHBondContact OH-N 2.88Å; Y694-T806 PolarHBondContact OH-OG1 3.47Å; Y694-L809 HydrophobicContact CD2-CD1 4.24Å; Y694-L809 HydrophobicContact CE2-CD1 3.4Å; Y694-L809 VanDerWaalsContact CE2-CD1 3.4Å; Y694-P823 HydrophobicContact CD1-CG 3.76Å; Y694-P823 HydrophobicContact CE1-CG 3.94Å; Y694-P823 HydrophobicContact CG-CB 4.39Å; Y694-P823 HydrophobicContact CG-CG 4.09Å; Y694-C826 WeakPolarHBondContact CB-SG 3.47Å; Y694-C826 PolarHBondContact O-SG 2.76Å
695	R	97.3	Very high	92.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	104.6	-174.1	176.6	56.3	161.2	114.4	-6	111.4	E664 V698 E710 V732 V733 V734	E664-R695 PolarHBondContact O-NH2 3.13Å; E664-R695 IonicContact OE1-NH1 2.69Å; E664-R695 PolarHBondContact OE1-NH1 3.25Å; E664-R695 VanDerWaalsContact OE1-NH1 3.07Å; R695-V698 HydrophobicContact CG-CG2 3.71Å; R695-E710 IonicContact CZ-OE1 3.49Å; R695-E710 IonicContact CZ-OE2 3.13Å; R695-E710 IonicContact NE-OE1 3.7Å; R695-E710 PolarHBondContact NE-OE1 2.84Å; R695-E710 IonicContact NE-OE2 2.67Å; R695-E710 PolarHBondContact NE-OE2 2.98Å; R695-E710 IonicContact NH2-OE1 2.68Å; R695-E710 PolarHBondContact NH2-OE1 2.94Å; R695-E710 IonicContact NH2-OE2 3.51Å; R695-V732 PolarHBondContact N-O 2.87Å; R695-V733 CarbonylContact O-C 3.44Å; R695-V733 VanDerWaalsContact O-CA 3.31Å; R695-V733 WeakPolarHBondContact O-CA 3.26Å; R695-V734 PolarHBondContact O-N 2.84Å
696	D	94.3	Very high	92.1	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.011	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	167.1	174.5	-159.8	-20.9	0	0	0	110.6	I625 D626 V698 V734 K736 C826	I625-D696 PolarHBondContact O-N 3Å; D626-D696 HydrophobicContact CB-CB 4.25Å; D626-D696 WeakPolarHBondContact OD1-CB 3.35Å; D696-V698 PolarHBondContact O-N 2.88Å; D696-V734 HydrophobicContact CB-CB 4.16Å; D696-K736 VanDerWaalsContact CG-CE 3.41Å; D696-K736 VanDerWaalsContact OD1-CD 3.29Å; D696-K736 WeakPolarHBondContact OD1-CD 3.4Å; D696-K736 WeakPolarHBondContact OD1-CE 3.36Å; D696-K736 IonicContact OD1-NZ 2.66Å; D696-K736 PolarHBondContact OD1-NZ 3.03Å; D696-K736 VanDerWaalsContact OD2-CD 3.25Å; D696-K736 WeakPolarHBondContact OD2-CD 3.31Å; D696-K736 VanDerWaalsContact OD2-CE 3.28Å; D696-K736 WeakPolarHBondContact OD2-CE 3.4Å; D696-K736 IonicContact OD2-NZ 2.71Å; D696-K736 PolarHBondContact OD2-NZ 3.49Å; D696-C826 HydrophobicContact CB-CB 4.23Å
697	G	82.6	Confident	91.9	Very high	34 Å²	34	28.2 Å²	28.2	35%	0.351	18%	0.182	S	C	.	.	S	Bend	trans	95	-40.8	-179.8	0	0	0	0	0	115.6
698	V	87.6	Confident	91.6	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.03	20%	0.199	C	C	.	.			trans	-70.1	137.3	-167.6	-173.7	0	0	0	0	114.2	E664 R695 D696 Q702 V706 V733	E664-V698 HydrophobicContact CG-CG2 4.47Å; R695-V698 HydrophobicContact CG-CG2 3.71Å; D696-V698 PolarHBondContact O-N 2.88Å; V698-Q702 HydrophobicContact CG1-CB 3.6Å; V698-V706 HydrophobicContact CB-CG2 4.36Å; V698-V706 HydrophobicContact CG1-CG2 3.74Å; V698-V706 HydrophobicContact CG2-CG2 3.9Å; V698-V733 HydrophobicContact CB-CG1 4.17Å
699	G	84.6	Confident	91.4	Very high	30 Å²	30	36.3 Å²	36.3	31%	0.309	22%	0.218	S	C	.	.			trans	-96	165.1	173	0	0	0	0	0	114.7	G701 Q702	G699-G701 PolarHBondContact O-N 2.89Å; G699-Q702 VanDerWaalsContact N-OE1 3.11Å; G699-Q702 WeakPolarHBondContact O-CB 3.12Å; G699-Q702 PolarHBondContact O-N 2.73Å
700	D	85	Confident	91.4	Very high	90 Å²	90	33.9 Å²	33.9	48%	0.481	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-54.2	-44.7	-172.8	-54.3	-32.1	0	0	0	113.8	Q702 L703 K735 W768	D700-Q702 PolarHBondContact O-N 2.83Å; D700-L703 VanDerWaalsContact O-CG 3.25Å; D700-L703 WeakPolarHBondContact O-CG 3.32Å; D700-L703 PolarHBondContact O-N 2.99Å; D700-K735 WeakPolarHBondContact OD1-CE 3.45Å; D700-K735 IonicContact OD1-NZ 3.71Å; D700-K735 PolarHBondContact OD1-NZ 3.41Å; D700-W768 HydrophobicContact CB-CH2 4.5Å
701	G	81.9	Confident	91.2	Very high	62 Å²	62	31.8 Å²	31.8	64%	0.639	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-70.8	9.4	177.5	0	0	0	0	0	115.6	G699	G699-G701 PolarHBondContact O-N 2.89Å
702	Q	86.4	Confident	91	Very high	65 Å²	65	34 Å²	34	30%	0.304	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-122.9	-1	176.5	-63.9	167.9	-65.2	0	0	112.4	V698 G699 D700 Q704 S705 V706	V698-Q702 HydrophobicContact CG1-CB 3.6Å; G699-Q702 VanDerWaalsContact N-OE1 3.11Å; G699-Q702 WeakPolarHBondContact O-CB 3.12Å; G699-Q702 PolarHBondContact O-N 2.73Å; D700-Q702 PolarHBondContact O-N 2.83Å; Q702-Q704 VanDerWaalsContact C-N 3.31Å; Q702-Q704 PolarHBondContact O-N 3.2Å; Q702-S705 WeakPolarHBondContact O-CA 3.27Å; Q702-S705 WeakPolarHBondContact O-CB 3.37Å; Q702-S705 PolarHBondContact O-N 2.91Å; Q702-V706 PolarHBondContact O-N 2.82Å; Q702-V706 VanDerWaalsContact O-N 3.08Å
703	L	89.6	Confident	90.9	Very high	4 Å²	4	35 Å²	35	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-59.6	-40.5	-178.2	-63.2	170.6	0	0	0	111.9	V86 D700 S705 V706 V707 V733 W768 V791	V86-L703 HydrophobicContact CG2-CB 3.76Å; D700-L703 VanDerWaalsContact O-CG 3.25Å; D700-L703 WeakPolarHBondContact O-CG 3.32Å; D700-L703 PolarHBondContact O-N 2.99Å; L703-S705 VanDerWaalsContact C-N 3.27Å; L703-S705 PolarHBondContact O-N 2.86Å; L703-V706 PolarHBondContact O-N 3.36Å; L703-V707 PolarHBondContact O-N 2.9Å; L703-V707 VanDerWaalsContact O-N 3.09Å; L703-V733 HydrophobicContact CD2-CB 4.11Å; L703-V733 HydrophobicContact CD2-CG1 3.93Å; L703-V733 HydrophobicContact CD2-CG2 3.89Å; L703-W768 HydrophobicContact CD1-CH2 4.13Å; L703-W768 HydrophobicContact CD1-CZ2 3.71Å; L703-V791 HydrophobicContact CD2-CG1 4.03Å
704	Q	87.8	Confident	90.8	Very high	79 Å²	79	34.9 Å²	34.9	37%	0.369	22%	0.216	S	C	.	.	H	α-helix	trans	-64.3	-31.1	175.2	-163.9	69.5	61.7	0	0	112.3	V86 Q702 N708	V86-Q704 HydrophobicContact CG2-CB 4.15Å; Q702-Q704 VanDerWaalsContact C-N 3.31Å; Q702-Q704 PolarHBondContact O-N 3.2Å; Q704-N708 PolarHBondContact NE2-OD1 2.74Å; Q704-N708 VanDerWaalsContact O-CB 3.29Å; Q704-N708 WeakPolarHBondContact O-CB 3.46Å; Q704-N708 VanDerWaalsContact O-CG 3.28Å; Q704-N708 PolarHBondContact O-N 3.27Å; Q704-N708 PolarHBondContact O-OD1 2.75Å
705	S	89.6	Confident	90.6	Very high	53 Å²	53	37.7 Å²	37.7	37%	0.371	23%	0.23	S	C	.	.	H	α-helix	trans	-71	-36.8	174.5	-52	0	0	0	0	111.9	Q702 L703 Y709	Q702-S705 WeakPolarHBondContact O-CA 3.27Å; Q702-S705 WeakPolarHBondContact O-CB 3.37Å; Q702-S705 PolarHBondContact O-N 2.91Å; L703-S705 VanDerWaalsContact C-N 3.27Å; L703-S705 PolarHBondContact O-N 2.86Å; S705-Y709 VanDerWaalsContact O-CB 3.26Å; S705-Y709 WeakPolarHBondContact O-CB 3.45Å; S705-Y709 PolarHBondContact O-N 2.76Å
706	V	91.1	Very high	90.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.25	C	S	.	.	I	π-helix	trans	-60.7	-49.6	171.9	175.5	0	0	0	0	110.1	I665 V698 Q702 L703 E710 V711 V731 V791	I665-V706 HydrophobicContact CD1-CG2 3.96Å; V698-V706 HydrophobicContact CB-CG2 4.36Å; V698-V706 HydrophobicContact CG1-CG2 3.74Å; V698-V706 HydrophobicContact CG2-CG2 3.9Å; Q702-V706 PolarHBondContact O-N 2.82Å; Q702-V706 VanDerWaalsContact O-N 3.08Å; L703-V706 PolarHBondContact O-N 3.36Å; V706-E710 HydrophobicContact CG1-CB 4.22Å; V706-E710 CarbonylContact O-C 3.52Å; V706-E710 WeakPolarHBondContact O-CA 3.3Å; V706-E710 WeakPolarHBondContact O-CB 3.11Å; V706-E710 PolarHBondContact O-N 3.21Å; V706-V711 PolarHBondContact O-N 3.48Å; V706-V731 HydrophobicContact CG1-CG1 4.38Å; V706-V791 HydrophobicContact CG1-CG2 4.23Å
707	V	90.8	Very high	90.5	Very high	31 Å²	31	41.3 Å²	41.3	19%	0.188	25%	0.25	C	C	.	.	I	π-helix	trans	-63.9	-49.5	179.9	177.4	0	0	0	0	112	V86 L703 Y709 V711 V791	V86-V707 HydrophobicContact CG1-CG2 4.08Å; V86-V707 HydrophobicContact CG2-CG2 4.47Å; L703-V707 PolarHBondContact O-N 2.9Å; L703-V707 VanDerWaalsContact O-N 3.09Å; V707-Y709 VanDerWaalsContact C-N 3.33Å; V707-Y709 PolarHBondContact O-N 3.35Å; V707-V711 WeakPolarHBondContact O-CB 3.38Å; V707-V791 HydrophobicContact CG2-CB 3.94Å; V707-V791 HydrophobicContact CG2-CG2 4.2Å
708	N	90.8	Very high	91.1	Very high	106 Å²	106	39.9 Å²	39.9	57%	0.567	23%	0.234	S	C	*	.	I	π-helix	trans	-77.6	-14.5	-173.1	-66.6	17.1	0	0	0	114.2	Q704	Q704-N708 PolarHBondContact NE2-OD1 2.74Å; Q704-N708 VanDerWaalsContact O-CB 3.29Å; Q704-N708 WeakPolarHBondContact O-CB 3.46Å; Q704-N708 VanDerWaalsContact O-CG 3.28Å; Q704-N708 PolarHBondContact O-N 3.27Å; Q704-N708 PolarHBondContact O-OD1 2.75Å
709	Y	92.6	Very high	91.4	Very high	101 Å²	101	46.4 Å²	46.4	40%	0.396	26%	0.262	S	S	.	.	I	π-helix	trans	-135.3	-40.1	-171.3	-170.6	-98.2	0	0	0	114.9	I665 D667 S705 V707 Q713	I665-Y709 HydrophobicContact CG2-CD1 3.5Å; I665-Y709 HydrophobicContact CG2-CE1 4.05Å; I665-Y709 HydrophobicContact CG2-CG 4.48Å; D667-Y709 HydrophobicContact CB-CE1 4.35Å; D667-Y709 WeakPolarHBondContact CB-OH 3.48Å; D667-Y709 WeakPolarHBondContact OD1-CE1 3.48Å; D667-Y709 PolarHBondContact OD1-OH 3.34Å; S705-Y709 VanDerWaalsContact O-CB 3.26Å; S705-Y709 WeakPolarHBondContact O-CB 3.45Å; S705-Y709 PolarHBondContact O-N 2.76Å; V707-Y709 VanDerWaalsContact C-N 3.33Å; V707-Y709 PolarHBondContact O-N 3.35Å; Y709-Q713 WeakPolarHBondContact O-CG 3.5Å; Y709-Q713 PolarHBondContact O-N 3.02Å; Y709-Q713 PolarHBondContact O-NE2 3.05Å
710	E	95.3	Very high	91.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.267	C	S	.	.	I	π-helix	trans	-78.9	-47.6	174.8	-59.9	-167.3	161.7	0	0	110.9	I665 M666 L669 R695 V706 A712 Q713 M714	I665-E710 WeakPolarHBondContact CA-OE1 3.08Å; I665-E710 HydrophobicContact CG2-CG 3.92Å; M666-E710 PolarHBondContact N-OE1 2.81Å; L669-E710 HydrophobicContact CD2-CB 3.89Å; L669-E710 WeakPolarHBondContact CD2-O 3.35Å; R695-E710 IonicContact CZ-OE1 3.49Å; R695-E710 IonicContact CZ-OE2 3.13Å; R695-E710 IonicContact NE-OE1 3.7Å; R695-E710 PolarHBondContact NE-OE1 2.84Å; R695-E710 IonicContact NE-OE2 2.67Å; R695-E710 PolarHBondContact NE-OE2 2.98Å; R695-E710 IonicContact NH2-OE1 2.68Å; R695-E710 PolarHBondContact NH2-OE1 2.94Å; R695-E710 IonicContact NH2-OE2 3.51Å; V706-E710 HydrophobicContact CG1-CB 4.22Å; V706-E710 CarbonylContact O-C 3.52Å; V706-E710 WeakPolarHBondContact O-CA 3.3Å; V706-E710 WeakPolarHBondContact O-CB 3.11Å; V706-E710 PolarHBondContact O-N 3.21Å; E710-A712 VanDerWaalsContact C-N 3.32Å; E710-A712 PolarHBondContact O-N 3.27Å; E710-Q713 WeakPolarHBondContact O-CB 3.34Å; E710-Q713 PolarHBondContact O-N 3.3Å; E710-M714 HydrophobicContact CB-CE 4.33Å; E710-M714 WeakPolarHBondContact O-CG 3.12Å; E710-M714 PolarHBondContact O-N 2.84Å
711	V	94.8	Very high	92.1	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.024	26%	0.256	C	S	.	.	I	π-helix	trans	-64.2	-38.5	176.4	-173.4	0	0	0	0	111.1	V706 V707 Q713 M714 M715 L729 V731 Y792	V706-V711 PolarHBondContact O-N 3.48Å; V707-V711 WeakPolarHBondContact O-CB 3.38Å; V711-Q713 VanDerWaalsContact C-N 3.35Å; V711-Q713 PolarHBondContact O-N 2.82Å; V711-M714 WeakPolarHBondContact O-CB 3.14Å; V711-M714 PolarHBondContact O-N 2.73Å; V711-M715 HydrophobicContact CG1-CG 4.49Å; V711-M715 WeakPolarHBondContact O-CG 3.24Å; V711-M715 PolarHBondContact O-N 3.21Å; V711-L729 HydrophobicContact CG1-CD2 4.12Å; V711-V731 HydrophobicContact CG2-CB 4.41Å; V711-V731 HydrophobicContact CG2-CG2 4.04Å; V711-Y792 HydrophobicContact CG1-CD1 3.88Å; V711-Y792 HydrophobicContact CG1-CD2 3.9Å; V711-Y792 HydrophobicContact CG1-CE1 4.08Å; V711-Y792 HydrophobicContact CG1-CE2 4.11Å; V711-Y792 HydrophobicContact CG1-CG 3.78Å; V711-Y792 HydrophobicContact CG2-CG 4.49Å
712	A	94.1	Very high	92.4	Very high	47 Å²	47	44.4 Å²	44.4	39%	0.388	24%	0.241	S	C	.	.	H	α-helix	trans	-54.9	-48.6	173.5	0	0	0	0	0	111.7	E710 M714 M715 D716	E710-A712 VanDerWaalsContact C-N 3.32Å; E710-A712 PolarHBondContact O-N 3.27Å; A712-M714 VanDerWaalsContact C-N 3.31Å; A712-M714 PolarHBondContact O-N 2.9Å; A712-M715 PolarHBondContact O-N 3.1Å; A712-D716 WeakPolarHBondContact O-CB 3.34Å; A712-D716 PolarHBondContact O-N 3.4Å
713	Q	95.9	Very high	92	Very high	19 Å²	19	50.2 Å²	50.2	9%	0.089	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-34.1	174	-78.6	174.9	78.9	0	0	113.8	M666 D667 L669 K670 Y709 E710 V711 D716 S717	M666-Q713 PolarHBondContact O-NE2 3.33Å; M666-Q713 PolarHBondContact O-OE1 3.1Å; D667-Q713 VanDerWaalsContact C-OE1 3.25Å; D667-Q713 PolarHBondContact O-OE1 3.14Å; D667-Q713 VanDerWaalsContact O-OE1 3.06Å; L669-Q713 HydrophobicContact CB-CB 4.21Å; L669-Q713 HydrophobicContact CD2-CB 4.5Å; L669-Q713 HydrophobicContact CG-CB 4.47Å; K670-Q713 HydrophobicContact CB-CB 4.32Å; K670-Q713 HydrophobicContact CB-CG 4.42Å; Y709-Q713 WeakPolarHBondContact O-CG 3.5Å; Y709-Q713 PolarHBondContact O-N 3.02Å; Y709-Q713 PolarHBondContact O-NE2 3.05Å; E710-Q713 WeakPolarHBondContact O-CB 3.34Å; E710-Q713 PolarHBondContact O-N 3.3Å; V711-Q713 VanDerWaalsContact C-N 3.35Å; V711-Q713 PolarHBondContact O-N 2.82Å; Q713-D716 WeakPolarHBondContact O-CB 3.25Å; Q713-D716 PolarHBondContact O-N 2.97Å; Q713-S717 PolarHBondContact O-N 2.78Å; Q713-S717 PolarHBondContact O-OG 2.79Å
714	M	96.3	Very high	92	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-66.1	-46	176.4	-62.1	171.6	-160.4	0	0	111.4	I625 L669 L673 V693 E710 V711 A712 D716 S717 I718 L729 V731	I625-M714 HydrophobicContact CD1-CE 4.2Å; L669-M714 HydrophobicContact CD2-CE 3.67Å; L669-M714 HydrophobicContact CD2-CG 3.82Å; L669-M714 HydrophobicContact CG-CG 4.38Å; L673-M714 HydrophobicContact CD2-CB 3.86Å; L673-M714 HydrophobicContact CD2-CG 3.98Å; V693-M714 HydrophobicContact CB-CE 4.4Å; V693-M714 HydrophobicContact CB-SD 4.48Å; V693-M714 HydrophobicContact CG1-CE 3.95Å; V693-M714 HydrophobicContact CG2-CE 4.34Å; V693-M714 HydrophobicContact CG2-SD 3.87Å; E710-M714 HydrophobicContact CB-CE 4.33Å; E710-M714 WeakPolarHBondContact O-CG 3.12Å; E710-M714 PolarHBondContact O-N 2.84Å; V711-M714 WeakPolarHBondContact O-CB 3.14Å; V711-M714 PolarHBondContact O-N 2.73Å; A712-M714 VanDerWaalsContact C-N 3.31Å; A712-M714 PolarHBondContact O-N 2.9Å; M714-D716 VanDerWaalsContact C-N 3.26Å; M714-D716 PolarHBondContact O-N 2.71Å; M714-S717 WeakPolarHBondContact O-CB 3.3Å; M714-S717 PolarHBondContact O-N 3.4Å; M714-S717 VanDerWaalsContact O-N 3.16Å; M714-I718 WeakPolarHBondContact O-CD1 3.44Å; M714-I718 WeakPolarHBondContact O-CG1 3.37Å; M714-I718 PolarHBondContact O-N 3.29Å; M714-L729 HydrophobicContact CB-CD2 4.03Å; M714-L729 HydrophobicContact SD-CD1 4.29Å; M714-L729 HydrophobicContact SD-CD2 4.33Å; M714-V731 HydrophobicContact CE-CG1 4.25Å; M714-V731 HydrophobicContact CE-CG2 4.1Å; M714-V731 HydrophobicContact SD-CG2 3.65Å
715	M	94.9	Very high	92.3	Very high	59 Å²	59	55.7 Å²	55.7	29%	0.291	30%	0.298	S	S	.	.	H	α-helix	trans	-62.4	-36.8	175.4	-63	-57.2	-68.5	0	0	111.4	V711 A712 I718 K719 L729	V711-M715 HydrophobicContact CG1-CG 4.49Å; V711-M715 WeakPolarHBondContact O-CG 3.24Å; V711-M715 PolarHBondContact O-N 3.21Å; A712-M715 PolarHBondContact O-N 3.1Å; M715-I718 PolarHBondContact O-N 2.79Å; M715-I718 HydrophobicContact SD-CD1 4.12Å; M715-K719 WeakPolarHBondContact O-CG 3.35Å; M715-K719 PolarHBondContact O-N 2.92Å; M715-L729 HydrophobicContact CG-CD2 4.41Å; M715-L729 HydrophobicContact SD-CD2 3.61Å
716	D	94.3	Very high	92.4	Very high	78 Å²	78	61.4 Å²	61.4	42%	0.417	32%	0.318	S	S	.	.	H	α-helix	trans	-65.4	-33.5	173.8	-110.5	40.1	0	0	0	113.6	K670 A712 Q713 M714 S720	K670-D716 HydrophobicContact CD-CB 3.87Å; K670-D716 WeakPolarHBondContact CE-O 3.31Å; K670-D716 HydrophobicContact CG-CB 4.35Å; K670-D716 IonicContact NZ-OD2 3.87Å; K670-D716 PolarHBondContact NZ-OD2 2.88Å; A712-D716 WeakPolarHBondContact O-CB 3.34Å; A712-D716 PolarHBondContact O-N 3.4Å; Q713-D716 WeakPolarHBondContact O-CB 3.25Å; Q713-D716 PolarHBondContact O-N 2.97Å; M714-D716 VanDerWaalsContact C-N 3.26Å; M714-D716 PolarHBondContact O-N 2.71Å; D716-S720 WeakPolarHBondContact O-CB 3.14Å; D716-S720 PolarHBondContact O-N 3.45Å
717	S	94.9	Very high	92.7	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-68.9	-44.3	170.4	-75.3	0	0	0	0	111.9	K670 T674 Q713 M714 S720	K670-S717 VanDerWaalsContact CA-OG 3.25Å; K670-S717 WeakPolarHBondContact CA-OG 3.22Å; K670-S717 PolarHBondContact O-OG 2.8Å; T674-S717 WeakPolarHBondContact OG1-CA 3.5Å; T674-S717 VanDerWaalsContact OG1-CB 3.24Å; T674-S717 WeakPolarHBondContact OG1-CB 2.98Å; T674-S717 PolarHBondContact OG1-OG 3.11Å; T674-S717 VanDerWaalsContact OG1-OG 3.06Å; Q713-S717 PolarHBondContact O-N 2.78Å; Q713-S717 PolarHBondContact O-OG 2.79Å; M714-S717 WeakPolarHBondContact O-CB 3.3Å; M714-S717 PolarHBondContact O-N 3.4Å; M714-S717 VanDerWaalsContact O-N 3.16Å; S717-S720 PolarHBondContact O-N 2.93Å; S717-S720 PolarHBondContact O-OG 3.16Å
718	I	94.8	Very high	93	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-58.2	-55.7	-179.8	-74.3	161.7	0	0	0	109.7	I691 M714 M715 S720 L721 Y725 P727 L729	I691-I718 HydrophobicContact CD1-CD1 4.01Å; I691-I718 HydrophobicContact CD1-CG1 4.03Å; M714-I718 WeakPolarHBondContact O-CD1 3.44Å; M714-I718 WeakPolarHBondContact O-CG1 3.37Å; M714-I718 PolarHBondContact O-N 3.29Å; M715-I718 PolarHBondContact O-N 2.79Å; M715-I718 HydrophobicContact SD-CD1 4.12Å; I718-S720 PolarHBondContact O-N 3.28Å; I718-S720 VanDerWaalsContact O-N 3.14Å; I718-L721 PolarHBondContact O-N 3.13Å; I718-L721 VanDerWaalsContact O-N 3.09Å; I718-Y725 HydrophobicContact CG2-CD1 3.95Å; I718-Y725 HydrophobicContact CG2-CE1 4.11Å; I718-Y725 WeakPolarHBondContact CG2-O 3.2Å; I718-P727 HydrophobicContact CB-CG 4.45Å; I718-P727 HydrophobicContact CD1-CG 3.89Å; I718-P727 HydrophobicContact CG1-CG 3.92Å; I718-P727 HydrophobicContact CG2-CG 3.68Å; I718-L729 HydrophobicContact CD1-CD2 4.27Å
719	K	93.3	Very high	93.3	Very high	141 Å²	141	59.8 Å²	59.8	61%	0.613	31%	0.305	S	S	*	.	H	α-helix	trans	-58.5	-28	177.1	-69.3	-179.9	176.6	-169.4	0	113.6	M715 L721 G722	M715-K719 WeakPolarHBondContact O-CG 3.35Å; M715-K719 PolarHBondContact O-N 2.92Å; K719-L721 PolarHBondContact O-N 3.01Å; K719-L721 VanDerWaalsContact O-N 3.14Å; K719-G722 PolarHBondContact O-N 3.18Å
720	S	93.3	Very high	93.5	Very high	61 Å²	61	55 Å²	55	43%	0.427	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-1.3	178.3	76.6	0	0	0	0	115.1	T674 D716 S717 I718	T674-S720 PolarHBondContact OG1-OG 3.07Å; D716-S720 WeakPolarHBondContact O-CB 3.14Å; D716-S720 PolarHBondContact O-N 3.45Å; S717-S720 PolarHBondContact O-N 2.93Å; S717-S720 PolarHBondContact O-OG 3.16Å; I718-S720 PolarHBondContact O-N 3.28Å; I718-S720 VanDerWaalsContact O-N 3.14Å
721	L	91.3	Very high	93.6	Very high	49 Å²	49	55 Å²	55	26%	0.257	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-8	177	-60.2	-175.7	0	0	0	114.4	T674 L677 K678 L687 I718 K719 Y725	T674-L721 HydrophobicContact CG2-CD2 4.14Å; L677-L721 HydrophobicContact CB-CD1 3.44Å; L677-L721 VanDerWaalsContact CB-CD1 3.44Å; L677-L721 HydrophobicContact CD1-CD1 3.86Å; L677-L721 HydrophobicContact CG-CD1 4.24Å; K678-L721 HydrophobicContact CG-CD2 4.11Å; L687-L721 HydrophobicContact CD1-CB 4.33Å; L687-L721 HydrophobicContact CD1-CD1 4.48Å; L687-L721 HydrophobicContact CD2-CD1 3.8Å; I718-L721 PolarHBondContact O-N 3.13Å; I718-L721 VanDerWaalsContact O-N 3.09Å; K719-L721 PolarHBondContact O-N 3.01Å; K719-L721 VanDerWaalsContact O-N 3.14Å; L721-Y725 HydrophobicContact CB-CD1 4.32Å
722	G	88.5	Confident	93.8	Very high	30 Å²	30	54.8 Å²	54.8	31%	0.309	29%	0.285	S	S	.	.			trans	160.1	145.6	178.5	0	0	0	0	0	111	K719 Y725	K719-G722 PolarHBondContact O-N 3.18Å; G722-Y725 PolarHBondContact O-N 3.27Å
723	E	79.3	Confident	93.9	Very high	188 Å²	188	52.6 Å²	52.6	88%	0.879	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-35.2	-178.2	-59.5	-167.4	145.1	0	0	111.7	Y725	E723-Y725 VanDerWaalsContact C-N 3.3Å; E723-Y725 PolarHBondContact O-N 2.61Å
724	D	88.8	Confident	94	Very high	163 Å²	163	51.7 Å²	51.7	87%	0.872	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-0.2	176.7	-49.2	-68.2	0	0	0	114.4	E726	D724-E726 PolarHBondContact O-N 3.04Å
725	Y	93.9	Very high	93.9	Very high	35 Å²	35	52.5 Å²	52.5	14%	0.137	27%	0.266	C	S	.	.			trans	-87.3	89.5	-174.7	177.9	-125	0	0	0	112.1	L687 P688 I718 L721 G722 E723 P727	L687-Y725 HydrophobicContact CB-CD2 4.21Å; L687-Y725 HydrophobicContact CB-CE1 4.45Å; L687-Y725 HydrophobicContact CB-CE2 3.57Å; L687-Y725 HydrophobicContact CD1-CD1 3.95Å; L687-Y725 HydrophobicContact CD1-CD2 3.95Å; L687-Y725 HydrophobicContact CD1-CE1 4.02Å; L687-Y725 HydrophobicContact CD1-CE2 4.04Å; L687-Y725 HydrophobicContact CD1-CG 3.93Å; L687-Y725 HydrophobicContact CG-CE2 4.39Å; P688-Y725 WeakPolarHBondContact CD-OH 3.38Å; P688-Y725 PolarHBondContact O-OH 2.88Å; I718-Y725 HydrophobicContact CG2-CD1 3.95Å; I718-Y725 HydrophobicContact CG2-CE1 4.11Å; I718-Y725 WeakPolarHBondContact CG2-O 3.2Å; L721-Y725 HydrophobicContact CB-CD1 4.32Å; G722-Y725 PolarHBondContact O-N 3.27Å; E723-Y725 VanDerWaalsContact C-N 3.3Å; E723-Y725 PolarHBondContact O-N 2.61Å; Y725-P727 VanDerWaalsContact C-CD 3.43Å; Y725-P727 HydrophobicContact CD1-CG 4.43Å; Y725-P727 HydrophobicContact CE1-CG 3.8Å; Y725-P727 HydrophobicContact CE2-CB 3.87Å; Y725-P727 HydrophobicContact CE2-CG 3.94Å; Y725-P727 VanDerWaalsContact CZ-CG 3.5Å; Y725-P727 WeakPolarHBondContact O-CD 3.4Å
726	E	92.8	Very high	93.8	Very high	173 Å²	173	51.6 Å²	51.6	81%	0.808	26%	0.26	S	S	*	.			trans	-108.7	77.5	177.7	-60.9	-154.6	131.4	0	0	113.4	D724	D724-E726 PolarHBondContact O-N 3.04Å
727	P	96.1	Very high	93.5	Very high	11 Å²	11	58.8 Å²	58.8	7%	0.071	28%	0.282	C	S	.	.			trans	-72.5	149.5	173.7	34.3	-38.1	0	0	0	112	P688 I691 I718 Y725 L729	P688-P727 WeakPolarHBondContact O-CB 3.46Å; I691-P727 HydrophobicContact CD1-CB 4.24Å; I691-P727 HydrophobicContact CD1-CG 3.93Å; I691-P727 HydrophobicContact CG1-CB 4.46Å; I718-P727 HydrophobicContact CB-CG 4.45Å; I718-P727 HydrophobicContact CD1-CG 3.89Å; I718-P727 HydrophobicContact CG1-CG 3.92Å; I718-P727 HydrophobicContact CG2-CG 3.68Å; Y725-P727 VanDerWaalsContact C-CD 3.43Å; Y725-P727 HydrophobicContact CD1-CG 4.43Å; Y725-P727 HydrophobicContact CE1-CG 3.8Å; Y725-P727 HydrophobicContact CE2-CB 3.87Å; Y725-P727 HydrophobicContact CE2-CG 3.94Å; Y725-P727 VanDerWaalsContact CZ-CG 3.5Å; Y725-P727 WeakPolarHBondContact O-CD 3.4Å; P727-L729 PolarHBondContact O-N 3.32Å
728	K	96.6	Very high	93.4	Very high	92 Å²	92	60.1 Å²	60.1	40%	0.4	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	119.5	173.1	-78	-178	156.2	-157.6	0	110.9	S689 R690 I691 S795	S689-K728 PolarHBondContact O-N 2.68Å; R690-K728 CarbonylContact C-O 3.45Å; R690-K728 VanDerWaalsContact CA-O 3.27Å; R690-K728 WeakPolarHBondContact CA-O 3.36Å; R690-K728 HydrophobicContact CB-CB 4.37Å; R690-K728 HydrophobicContact CG-CB 3.97Å; R690-K728 WeakPolarHBondContact CG-O 3.41Å; I691-K728 PolarHBondContact N-O 2.84Å; K728-S795 PolarHBondContact NZ-O 2.84Å
729	L	97.1	Very high	93.2	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.7	-176.1	177.8	63.9	0	0	0	111.4	I691 V693 V711 M714 M715 I718 P727 V731 Y792 D793 T794	I691-L729 HydrophobicContact CB-CD1 3.98Å; I691-L729 HydrophobicContact CG2-CD1 3.93Å; I691-L729 WeakPolarHBondContact O-CA 3.39Å; V693-L729 HydrophobicContact CG2-CD1 3.99Å; V711-L729 HydrophobicContact CG1-CD2 4.12Å; M714-L729 HydrophobicContact CB-CD2 4.03Å; M714-L729 HydrophobicContact SD-CD1 4.29Å; M714-L729 HydrophobicContact SD-CD2 4.33Å; M715-L729 HydrophobicContact CG-CD2 4.41Å; M715-L729 HydrophobicContact SD-CD2 3.61Å; I718-L729 HydrophobicContact CD1-CD2 4.27Å; P727-L729 PolarHBondContact O-N 3.32Å; L729-V731 HydrophobicContact CD1-CG2 4.28Å; L729-V731 HydrophobicContact CG-CG2 4.29Å; L729-Y792 HydrophobicContact CB-CE1 4.13Å; L729-Y792 HydrophobicContact CD2-CD1 4.21Å; L729-Y792 HydrophobicContact CD2-CE1 3.94Å; L729-Y792 HydrophobicContact CG-CD1 4.15Å; L729-Y792 HydrophobicContact CG-CE1 4.08Å; L729-D793 CarbonylContact O-C 3.59Å; L729-D793 WeakPolarHBondContact O-CA 3.35Å; L729-T794 PolarHBondContact N-OG1 2.8Å; L729-T794 PolarHBondContact O-N 3.39Å; L729-T794 PolarHBondContact O-OG1 2.84Å
730	S	97.4	Very high	93.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	139.5	170.4	-42.8	0	0	0	0	110.2	I691 I692 V693 Y792 D793 S795	I691-S730 PolarHBondContact O-N 2.93Å; I692-S730 WeakPolarHBondContact CA-O 3.36Å; V693-S730 PolarHBondContact N-O 3.34Å; S730-Y792 CarbonylContact C-O 3.41Å; S730-Y792 WeakPolarHBondContact CA-O 3.5Å; S730-D793 VanDerWaalsContact CB-OD1 3.27Å; S730-D793 WeakPolarHBondContact CB-OD1 3.32Å; S730-D793 PolarHBondContact OG-OD1 2.82Å; S730-S795 WeakPolarHBondContact OG-CB 3.46Å; S730-S795 PolarHBondContact OG-OG 3.12Å
731	V	97.6	Very high	93.5	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	120	176	-174	0	0	0	0	110.4	V693 V706 V711 M714 L729 V790 V791 Y792	V693-V731 HydrophobicContact CB-CG1 4.4Å; V693-V731 HydrophobicContact CB-CG2 4.2Å; V693-V731 HydrophobicContact CG2-CG2 4.33Å; V693-V731 WeakPolarHBondContact O-CA 3.46Å; V706-V731 HydrophobicContact CG1-CG1 4.38Å; V711-V731 HydrophobicContact CG2-CB 4.41Å; V711-V731 HydrophobicContact CG2-CG2 4.04Å; M714-V731 HydrophobicContact CE-CG1 4.25Å; M714-V731 HydrophobicContact CE-CG2 4.1Å; M714-V731 HydrophobicContact SD-CG2 3.65Å; L729-V731 HydrophobicContact CD1-CG2 4.28Å; L729-V731 HydrophobicContact CG-CG2 4.29Å; V731-V790 CarbonylContact O-C 3.53Å; V731-V790 WeakPolarHBondContact O-CA 3.02Å; V731-V791 HydrophobicContact CB-CG2 4.08Å; V731-V791 HydrophobicContact CG1-CG2 3.89Å; V731-V791 WeakPolarHBondContact O-CG2 3.21Å; V731-V791 PolarHBondContact O-N 2.98Å; V731-Y792 PolarHBondContact N-O 2.96Å
732	V	97.9	Very high	93.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	112.8	-172.4	-169.5	0	0	0	0	109.5	V693 Y694 R695 Y788 N789 V790 M802	V693-V732 PolarHBondContact O-N 2.87Å; Y694-V732 CarbonylContact C-O 3.51Å; Y694-V732 WeakPolarHBondContact CA-O 3.23Å; Y694-V732 HydrophobicContact CD1-CB 3.83Å; Y694-V732 HydrophobicContact CD1-CG1 4.07Å; Y694-V732 HydrophobicContact CD1-CG2 4.39Å; Y694-V732 HydrophobicContact CE1-CB 4.08Å; Y694-V732 HydrophobicContact CE1-CG1 4.12Å; Y694-V732 HydrophobicContact CE1-CG2 4.25Å; R695-V732 PolarHBondContact N-O 2.87Å; V732-Y788 HydrophobicContact CG1-CD1 4.14Å; V732-N789 CarbonylContact C-O 3.59Å; V732-N789 WeakPolarHBondContact CA-O 3.44Å; V732-V790 HydrophobicContact CG1-CG2 4.46Å; V732-V790 HydrophobicContact CG2-CG2 4.21Å; V732-M802 HydrophobicContact CG2-SD 4.09Å
733	V	97.5	Very high	94.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	123.5	176.4	177.4	0	0	0	0	110	R695 V698 L703 K735 Y788 N789 V791	R695-V733 CarbonylContact O-C 3.44Å; R695-V733 VanDerWaalsContact O-CA 3.31Å; R695-V733 WeakPolarHBondContact O-CA 3.26Å; V698-V733 HydrophobicContact CB-CG1 4.17Å; L703-V733 HydrophobicContact CD2-CB 4.11Å; L703-V733 HydrophobicContact CD2-CG1 3.93Å; L703-V733 HydrophobicContact CD2-CG2 3.89Å; V733-K735 HydrophobicContact CG1-CG 4.16Å; V733-Y788 WeakPolarHBondContact O-CA 3.45Å; V733-N789 PolarHBondContact N-O 3.03Å; V733-N789 PolarHBondContact O-N 3.07Å; V733-V791 HydrophobicContact CB-CG1 4.36Å; V733-V791 HydrophobicContact CG2-CB 4.49Å; V733-V791 HydrophobicContact CG2-CG1 3.7Å; V733-V791 HydrophobicContact CG2-CG2 3.91Å
734	V	97.9	Very high	95	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	112.4	-174.2	-175.8	0	0	0	0	110	Y694 R695 D696 T786 Y788 V822	Y694-V734 HydrophobicContact CD1-CG2 3.94Å; Y694-V734 HydrophobicContact CG-CG2 4.46Å; R695-V734 PolarHBondContact O-N 2.84Å; D696-V734 HydrophobicContact CB-CB 4.16Å; V734-T786 HydrophobicContact CG1-CG2 3.61Å; V734-Y788 HydrophobicContact CB-CD1 4.48Å; V734-Y788 HydrophobicContact CB-CE1 4.4Å; V734-Y788 HydrophobicContact CG1-CD1 4.32Å; V734-Y788 HydrophobicContact CG1-CE1 3.83Å; V734-Y788 HydrophobicContact CG2-CD1 3.94Å; V734-Y788 HydrophobicContact CG2-CE1 3.94Å; V734-V822 HydrophobicContact CG1-CB 4.24Å; V734-V822 HydrophobicContact CG1-CG1 3.89Å
735	K	94.3	Very high	95.2	Very high	17 Å²	17	38.5 Å²	38.5	7%	0.074	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	92.3	-175	-58.3	179.3	-166.4	173.6	0	111	D700 V733 R737 I738 H787	D700-K735 WeakPolarHBondContact OD1-CE 3.45Å; D700-K735 IonicContact OD1-NZ 3.71Å; D700-K735 PolarHBondContact OD1-NZ 3.41Å; V733-K735 HydrophobicContact CG1-CG 4.16Å; K735-R737 PolarHBondContact O-N 2.73Å; K735-I738 HydrophobicContact CB-CG2 3.98Å; K735-H787 HydrophobicContact CB-CB 4.17Å; K735-H787 PolarHBondContact N-O 2.75Å; K735-H787 PolarHBondContact O-N 3.41Å
736	K	91.9	Very high	95	Very high	41 Å²	41	42.3 Å²	42.3	18%	0.178	20%	0.195	C	C	.	.			trans	-78.7	-5.6	178	65.7	-169.1	162.1	-149.6	0	115.3	D626 D696 R821 V822	D626-K736 IonicContact OD1-NZ 3.18Å; D626-K736 PolarHBondContact OD1-NZ 3.46Å; D626-K736 IonicContact OD2-NZ 2.7Å; D696-K736 VanDerWaalsContact CG-CE 3.41Å; D696-K736 VanDerWaalsContact OD1-CD 3.29Å; D696-K736 WeakPolarHBondContact OD1-CD 3.4Å; D696-K736 WeakPolarHBondContact OD1-CE 3.36Å; D696-K736 IonicContact OD1-NZ 2.66Å; D696-K736 PolarHBondContact OD1-NZ 3.03Å; D696-K736 VanDerWaalsContact OD2-CD 3.25Å; D696-K736 WeakPolarHBondContact OD2-CD 3.31Å; D696-K736 VanDerWaalsContact OD2-CE 3.28Å; D696-K736 WeakPolarHBondContact OD2-CE 3.4Å; D696-K736 IonicContact OD2-NZ 2.71Å; D696-K736 PolarHBondContact OD2-NZ 3.49Å; K736-R821 VanDerWaalsContact O-CZ 3.27Å; K736-R821 PolarHBondContact O-NH1 3.05Å; K736-R821 PolarHBondContact O-NH2 3.34Å; K736-V822 HydrophobicContact CB-CG1 4.22Å
737	R	88.7	Confident	94.7	Very high	229 Å²	229	36.8 Å²	36.8	86%	0.864	19%	0.185	S	C	*	.	S	Bend	trans	-124.4	71.1	-175.5	-62.8	-176.2	-171.9	158.9	6.1	112.3	K735	K735-R737 PolarHBondContact O-N 2.73Å
738	I	91.4	Very high	94.3	Very high	27 Å²	27	44.1 Å²	44.1	14%	0.138	22%	0.223	C	C	.	.			trans	-117.2	154.8	-174.4	56.7	177	0	0	0	112.4	K735 R741 Y772 P785 H787	K735-I738 HydrophobicContact CB-CG2 3.98Å; I738-R741 VanDerWaalsContact O-CZ 3.29Å; I738-R741 PolarHBondContact O-NH1 2.86Å; I738-R741 PolarHBondContact O-NH2 3.02Å; I738-Y772 HydrophobicContact CD1-CD1 3.86Å; I738-Y772 HydrophobicContact CD1-CE1 3.78Å; I738-P785 HydrophobicContact CD1-CG 4.01Å; I738-P785 WeakPolarHBondContact CD1-O 3.19Å; I738-H787 HydrophobicContact CD1-CB 3.84Å; I738-H787 HydrophobicContact CG2-CB 4.15Å
739	S	92.3	Very high	94.1	Very high	29 Å²	29	46.8 Å²	46.8	20%	0.203	24%	0.235	C	C	.	.			trans	-80.3	-26.1	174.5	-55.6	0	0	0	0	113.1	N112 D263 R741	N112-S739 PolarHBondContact ND2-O 3.03Å; D263-S739 WeakPolarHBondContact CB-O 3.36Å; S739-R741 PolarHBondContact O-N 3.43Å
740	S	95.8	Very high	94	Very high	7 Å²	7	48.2 Å²	48.2	5%	0.049	24%	0.241	C	C	.	.			trans	-57.2	131.6	-176.9	-37.2	0	0	0	0	112.4	N112 Y772 P785	N112-S740 WeakPolarHBondContact OD1-CA 3.4Å; S740-Y772 PolarHBondContact OG-OH 2.78Å; S740-P785 WeakPolarHBondContact O-CD 3.36Å; S740-P785 WeakPolarHBondContact O-CG 3.42Å
741	R	96.8	Very high	93.8	Very high	22 Å²	22	50.3 Å²	50.3	8%	0.083	25%	0.254	C	S	.	.			trans	-130.9	145.2	175.4	-53.5	-65.8	165.4	-110.1	-4	108.2	A111 N112 D263 I738 S739 F743	A111-R741 WeakPolarHBondContact CA-O 3.32Å; N112-R741 HydrophobicContact CB-CB 4.15Å; N112-R741 PolarHBondContact N-O 3Å; N112-R741 VanDerWaalsContact N-O 3.17Å; N112-R741 PolarHBondContact OD1-N 2.82Å; N112-R741 PolarHBondContact OD1-O 2.96Å; D263-R741 IonicContact OD1-NE 2.66Å; D263-R741 IonicContact OD2-CZ 3.4Å; D263-R741 IonicContact OD2-NE 2.72Å; D263-R741 PolarHBondContact OD2-NE 2.98Å; D263-R741 IonicContact OD2-NH2 2.74Å; D263-R741 PolarHBondContact OD2-NH2 2.83Å; I738-R741 VanDerWaalsContact O-CZ 3.29Å; I738-R741 PolarHBondContact O-NH1 2.86Å; I738-R741 PolarHBondContact O-NH2 3.02Å; S739-R741 PolarHBondContact O-N 3.43Å; R741-F743 HydrophobicContact CB-CE1 3.86Å; R741-F743 HydrophobicContact CB-CE2 4.41Å; R741-F743 HydrophobicContact CB-CZ 3.63Å; R741-F743 HydrophobicContact CG-CZ 4.41Å
742	F	97.4	Very high	93.8	Very high	1 Å²	1	52.3 Å²	52.3	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	142.6	174.4	-55.3	-63.8	0	0	0	108.4	T110 A111 L446 P753 I759 V763 Y772 P785	T110-F742 WeakPolarHBondContact O-CA 3.49Å; A111-F742 HydrophobicContact CB-CD1 3.67Å; A111-F742 HydrophobicContact CB-CE1 3.71Å; L446-F742 HydrophobicContact CD1-CE1 4.4Å; F742-P753 HydrophobicContact CB-CG 4Å; F742-P753 WeakPolarHBondContact O-CD 3.49Å; F742-P753 WeakPolarHBondContact O-CG 3.08Å; F742-I759 HydrophobicContact CD1-CG1 4.34Å; F742-I759 HydrophobicContact CD2-CD1 3.44Å; F742-I759 VanDerWaalsContact CD2-CD1 3.44Å; F742-I759 HydrophobicContact CD2-CG1 4.09Å; F742-I759 HydrophobicContact CE1-CG1 4.33Å; F742-I759 HydrophobicContact CE1-CG2 4.38Å; F742-I759 HydrophobicContact CE2-CB 4.37Å; F742-I759 HydrophobicContact CE2-CD1 3.65Å; F742-I759 HydrophobicContact CE2-CG1 4.06Å; F742-I759 HydrophobicContact CG-CD1 3.92Å; F742-I759 HydrophobicContact CG-CG1 4.24Å; F742-I759 HydrophobicContact CZ-CB 4.26Å; F742-I759 HydrophobicContact CZ-CD1 4.29Å; F742-I759 HydrophobicContact CZ-CG1 4.19Å; F742-I759 HydrophobicContact CZ-CG2 4.3Å; F742-V763 HydrophobicContact CE1-CG2 3.87Å; F742-V763 HydrophobicContact CZ-CG2 3.86Å; F742-Y772 HydrophobicContact CE2-CD1 4.12Å; F742-Y772 HydrophobicContact CE2-CD2 4.26Å; F742-Y772 AromaticContact CE2-CG 3.84Å; F742-Y772 HydrophobicContact CE2-CG 3.84Å; F742-Y772 HydrophobicContact CZ-CD1 4.45Å; F742-Y772 HydrophobicContact CZ-CD2 4.04Å; F742-Y772 HydrophobicContact CZ-CE2 4.39Å; F742-Y772 HydrophobicContact CZ-CG 4.08Å; F742-P785 HydrophobicContact CD2-CB 4.1Å; F742-P785 HydrophobicContact CD2-CG 3.71Å; F742-P785 HydrophobicContact CE2-CB 4.1Å; F742-P785 HydrophobicContact CE2-CG 3.69Å
743	F	96.8	Very high	93.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	152.1	179.8	-43.1	-60	0	0	0	108.7	L109 T110 N112 P408 R411 L415 R741 F750	L109-F743 WeakPolarHBondContact CA-O 3.03Å; T110-F743 PolarHBondContact N-O 2.8Å; T110-F743 WeakPolarHBondContact O-CD2 3.16Å; T110-F743 PolarHBondContact O-N 3.16Å; N112-F743 HydrophobicContact CB-CE2 4.44Å; P408-F743 HydrophobicContact CB-CD1 3.79Å; P408-F743 HydrophobicContact CB-CE1 4.38Å; P408-F743 HydrophobicContact CG-CD1 4.48Å; R411-F743 HydrophobicContact CB-CZ 4.48Å; R411-F743 HydrophobicContact CG-CZ 4.18Å; L415-F743 HydrophobicContact CD1-CE2 4.31Å; L415-F743 HydrophobicContact CD1-CZ 4.45Å; R741-F743 HydrophobicContact CB-CE1 3.86Å; R741-F743 HydrophobicContact CB-CE2 4.41Å; R741-F743 HydrophobicContact CB-CZ 3.63Å; R741-F743 HydrophobicContact CG-CZ 4.41Å; F743-F750 HydrophobicContact CB-CB 4.48Å; F743-F750 HydrophobicContact CB-CD1 3.84Å
744	T	95.9	Very high	93.6	Very high	15 Å²	15	53.3 Å²	53.3	9%	0.092	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143.6	169.4	-170.4	0	0	0	0	109.6	I107 K108 I746 T751	I107-T744 HydrophobicContact CD1-CG2 4.48Å; K108-T744 PolarHBondContact O-OG1 2.9Å; T744-I746 HydrophobicContact CG2-CD1 4.44Å; T744-I746 HydrophobicContact CG2-CG1 4.45Å; T744-T751 VanDerWaalsContact CG2-OG1 3.27Å; T744-T751 WeakPolarHBondContact CG2-OG1 3.43Å; T744-T751 PolarHBondContact N-O 2.72Å; T744-T751 PolarHBondContact O-N 3Å; T744-T751 PolarHBondContact O-OG1 2.89Å
745	M	92.6	Very high	93.5	Very high	108 Å²	108	53.5 Å²	53.5	53%	0.532	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	130.3	-179.2	-173.6	171.1	-72.5	0	0	109.7	G747 F750	M745-G747 WeakPolarHBondContact CG-O 3.32Å; M745-F750 HydrophobicContact CE-CD1 4.39Å; M745-F750 HydrophobicContact CE-CE1 3.64Å; M745-F750 HydrophobicContact CE-CE2 3.84Å; M745-F750 HydrophobicContact CE-CZ 3.33Å
746	I	89.4	Confident	93.7	Very high	116 Å²	116	52.7 Å²	52.7	60%	0.595	27%	0.269	S	S	*	.	S	Bend	trans	-135.1	103	177.3	-57.4	-179.6	0	0	0	107.5	T744 K749 T751	T744-I746 HydrophobicContact CG2-CD1 4.44Å; T744-I746 HydrophobicContact CG2-CG1 4.45Å; I746-K749 PolarHBondContact N-O 2.63Å; I746-T751 HydrophobicContact CB-CG2 4.43Å; I746-T751 HydrophobicContact CD1-CG2 4.39Å; I746-T751 WeakPolarHBondContact CD1-OG1 3.3Å
747	G	88.1	Confident	94	Very high	57 Å²	57	50.7 Å²	50.7	59%	0.588	26%	0.26	S	S	*	.	S	Bend	trans	55.7	-154.4	-155.2	0	0	0	0	0	110.5	M745 K749	M745-G747 WeakPolarHBondContact CG-O 3.32Å; G747-K749 PolarHBondContact O-N 2.92Å
748	D	87.2	Confident	94.4	Very high	165 Å²	165	39.8 Å²	39.8	88%	0.882	22%	0.219	S	C	*	.	S	Bend	trans	-76.1	27.9	-177.3	-45.4	-65.6	0	0	0	114.4
749	K	92.1	Very high	94.8	Very high	148 Å²	148	38.5 Å²	38.5	64%	0.643	21%	0.212	S	C	*	.	S	Bend	trans	-133	127.5	-174	-70.4	176.2	-176.3	164.3	0	112.3	I746 G747	I746-K749 PolarHBondContact N-O 2.63Å; G747-K749 PolarHBondContact O-N 2.92Å
750	F	93.9	Very high	95	Very high	30 Å²	30	37.2 Å²	37.2	13%	0.132	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	130.9	170.5	-70.3	-78.5	0	0	0	111.4	T110 P408 D409 E412 F743 M745	T110-F750 HydrophobicContact CG2-CE1 4.3Å; P408-F750 HydrophobicContact CB-CB 4.22Å; D409-F750 HydrophobicContact CB-CB 4.22Å; E412-F750 HydrophobicContact CB-CD2 4.06Å; E412-F750 HydrophobicContact CB-CE2 4.42Å; E412-F750 HydrophobicContact CB-CG 4.37Å; E412-F750 HydrophobicContact CG-CD1 4.41Å; E412-F750 HydrophobicContact CG-CD2 3.6Å; E412-F750 HydrophobicContact CG-CE1 4.31Å; E412-F750 HydrophobicContact CG-CE2 3.49Å; E412-F750 VanDerWaalsContact CG-CE2 3.49Å; E412-F750 HydrophobicContact CG-CG 4.06Å; E412-F750 HydrophobicContact CG-CZ 3.85Å; E412-F750 VanDerWaalsContact OE1-CE2 3.24Å; E412-F750 WeakPolarHBondContact OE1-CE2 3.44Å; F743-F750 HydrophobicContact CB-CB 4.48Å; F743-F750 HydrophobicContact CB-CD1 3.84Å; M745-F750 HydrophobicContact CE-CD1 4.39Å; M745-F750 HydrophobicContact CE-CE1 3.64Å; M745-F750 HydrophobicContact CE-CE2 3.84Å; M745-F750 HydrophobicContact CE-CZ 3.33Å
751	T	95.3	Very high	94.9	Very high	43 Å²	43	38.6 Å²	38.6	26%	0.264	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	173.2	-178.8	62.8	0	0	0	0	110.5	T744 I746	T744-T751 VanDerWaalsContact CG2-OG1 3.27Å; T744-T751 WeakPolarHBondContact CG2-OG1 3.43Å; T744-T751 PolarHBondContact N-O 2.72Å; T744-T751 PolarHBondContact O-N 3Å; T744-T751 PolarHBondContact O-OG1 2.89Å; I746-T751 HydrophobicContact CB-CG2 4.43Å; I746-T751 HydrophobicContact CD1-CG2 4.39Å; I746-T751 WeakPolarHBondContact CD1-OG1 3.3Å
752	N	95.8	Very high	94.7	Very high	43 Å²	43	39.5 Å²	39.5	23%	0.23	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-76.2	135	176.4	-74.2	-48.7	0	0	0	109.3	P408 V778 G781 S782 V783	P408-N752 HydrophobicContact CG-CB 4.47Å; P408-N752 WeakPolarHBondContact CG-OD1 3.47Å; N752-V778 WeakPolarHBondContact ND2-CG2 3.33Å; N752-G781 PolarHBondContact ND2-O 3.33Å; N752-S782 WeakPolarHBondContact OD1-CA 3.48Å; N752-V783 HydrophobicContact CB-CB 4.38Å; N752-V783 HydrophobicContact CB-CG1 4.09Å; N752-V783 PolarHBondContact OD1-N 2.98Å
753	P	96	Very high	94.6	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.032	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-57.4	145.6	169.6	-22.8	34.2	0	0	0	110.8	L109 F742 T757	L109-P753 HydrophobicContact CD2-CB 4.06Å; L109-P753 HydrophobicContact CD2-CG 3.91Å; F742-P753 HydrophobicContact CB-CG 4Å; F742-P753 WeakPolarHBondContact O-CD 3.49Å; F742-P753 WeakPolarHBondContact O-CG 3.08Å; P753-T757 HydrophobicContact CB-CG2 4.06Å; P753-T757 WeakPolarHBondContact CB-OG1 3.41Å
754	P	95.8	Very high	94.5	Very high	16 Å²	16	39.4 Å²	39.4	10%	0.104	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-65	153.5	-177.8	27	-35.2	0	0	0	112	I107 V450 G756 T757	I107-P754 HydrophobicContact CD1-CG 4.07Å; V450-P754 HydrophobicContact CB-CG 4.46Å; V450-P754 HydrophobicContact CG1-CB 4.37Å; V450-P754 HydrophobicContact CG1-CG 3.81Å; V450-P754 HydrophobicContact CG2-CG 3.73Å; P754-G756 PolarHBondContact O-N 2.93Å; P754-T757 WeakPolarHBondContact CD-OG1 3.3Å; P754-T757 WeakPolarHBondContact O-CB 3.47Å; P754-T757 PolarHBondContact O-N 3.34Å; P754-T757 VanDerWaalsContact O-N 3.11Å; P754-T757 PolarHBondContact O-OG1 3.06Å
755	P	96.7	Very high	94.3	Very high	4 Å²	4	39.6 Å²	39.6	3%	0.026	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	135.1	165.2	-28.6	39.5	0	0	0	111.4	P467 A470 V774 I819	P467-P755 WeakPolarHBondContact O-CB 3.46Å; P467-P755 WeakPolarHBondContact O-CG 3.5Å; A470-P755 HydrophobicContact CB-CB 4.11Å; A470-P755 HydrophobicContact CB-CG 3.86Å; P755-V774 CarbonylContact C-O 3.58Å; P755-V774 WeakPolarHBondContact CA-O 3.15Å; P755-I819 HydrophobicContact CB-CD1 4.09Å
756	G	97.1	Very high	94.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.7	-3.2	-172.7	0	0	0	0	0	114.4	L451 P754 V758 V774 Y807	L451-G756 PolarHBondContact N-O 2.79Å; P754-G756 PolarHBondContact O-N 2.93Å; G756-V758 PolarHBondContact O-N 3.13Å; G756-V774 PolarHBondContact N-O 3.33Å; G756-Y807 VanDerWaalsContact CA-CZ 3.45Å; G756-Y807 PolarHBondContact N-OH 2.85Å
757	T	98.3	Very high	94.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	122	175.1	-53.5	0	0	0	0	111.1	I107 L109 R449 P753 P754 I759 I773 V774	I107-T757 HydrophobicContact CG2-CG2 4.08Å; L109-T757 HydrophobicContact CD1-CG2 3.84Å; L109-T757 HydrophobicContact CD2-CG2 4.28Å; R449-T757 CarbonylContact O-C 3.26Å; R449-T757 VanDerWaalsContact O-CA 3.31Å; R449-T757 WeakPolarHBondContact O-CA 3.3Å; P753-T757 HydrophobicContact CB-CG2 4.06Å; P753-T757 WeakPolarHBondContact CB-OG1 3.41Å; P754-T757 WeakPolarHBondContact CD-OG1 3.3Å; P754-T757 WeakPolarHBondContact O-CB 3.47Å; P754-T757 PolarHBondContact O-N 3.34Å; P754-T757 VanDerWaalsContact O-N 3.11Å; P754-T757 PolarHBondContact O-OG1 3.06Å; T757-I759 HydrophobicContact CG2-CD1 3.93Å; T757-I773 CarbonylContact O-C 3.53Å; T757-I773 WeakPolarHBondContact O-CA 3.2Å; T757-V774 PolarHBondContact O-N 2.9Å
758	V	98.6	Very high	94.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	139.8	175.2	-177.6	0	0	0	0	109.9	G448 R449 L451 G756 Y772 I773 Q803	G448-V758 WeakPolarHBondContact CA-O 3.24Å; R449-V758 PolarHBondContact N-O 3.06Å; R449-V758 VanDerWaalsContact N-O 3.11Å; R449-V758 PolarHBondContact O-N 2.88Å; L451-V758 HydrophobicContact CD1-CG2 3.76Å; L451-V758 HydrophobicContact CG-CG2 3.8Å; G756-V758 PolarHBondContact O-N 3.13Å; V758-Y772 VanDerWaalsContact CA-O 3.32Å; V758-Y772 WeakPolarHBondContact CA-O 3.09Å; V758-I773 HydrophobicContact CG2-CD1 4.36Å; V758-I773 HydrophobicContact CG2-CG1 4.18Å; V758-I773 HydrophobicContact CG2-CG2 4.42Å; V758-Q803 HydrophobicContact CG1-CG 4.26Å
759	I	98.4	Very high	94.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	113.1	171.8	-51.3	83.8	0	0	0	108.1	L109 L446 F742 T757 V763 Y772	L109-I759 HydrophobicContact CD1-CD1 4.03Å; L109-I759 HydrophobicContact CD1-CG1 3.57Å; L446-I759 HydrophobicContact CD1-CG2 3.58Å; F742-I759 HydrophobicContact CD1-CG1 4.34Å; F742-I759 HydrophobicContact CD2-CD1 3.44Å; F742-I759 VanDerWaalsContact CD2-CD1 3.44Å; F742-I759 HydrophobicContact CD2-CG1 4.09Å; F742-I759 HydrophobicContact CE1-CG1 4.33Å; F742-I759 HydrophobicContact CE1-CG2 4.38Å; F742-I759 HydrophobicContact CE2-CB 4.37Å; F742-I759 HydrophobicContact CE2-CD1 3.65Å; F742-I759 HydrophobicContact CE2-CG1 4.06Å; F742-I759 HydrophobicContact CG-CD1 3.92Å; F742-I759 HydrophobicContact CG-CG1 4.24Å; F742-I759 HydrophobicContact CZ-CB 4.26Å; F742-I759 HydrophobicContact CZ-CD1 4.29Å; F742-I759 HydrophobicContact CZ-CG1 4.19Å; F742-I759 HydrophobicContact CZ-CG2 4.3Å; T757-I759 HydrophobicContact CG2-CD1 3.93Å; I759-V763 HydrophobicContact CG2-CG2 3.62Å; I759-Y772 HydrophobicContact CB-CD2 4.49Å; I759-Y772 PolarHBondContact N-O 3.05Å; I759-Y772 PolarHBondContact O-N 3.07Å
760	D	96.8	Very high	94.9	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.011	8%	0.083	C	C	.	.			trans	-121.2	-7.2	-176.9	43.4	-8.2	0	0	0	114.1	K99 T100 G101 R449 T764 F771 Q803	K99-D760 VanDerWaalsContact CE-O 3.26Å; K99-D760 WeakPolarHBondContact CE-O 3.44Å; T100-D760 WeakPolarHBondContact CA-OD2 3.38Å; G101-D760 PolarHBondContact N-OD2 3.05Å; R449-D760 IonicContact CZ-OD2 3.55Å; R449-D760 VanDerWaalsContact NH2-CG 3.34Å; R449-D760 IonicContact NH2-OD1 2.89Å; R449-D760 PolarHBondContact NH2-OD1 3Å; R449-D760 IonicContact NH2-OD2 3.26Å; R449-D760 PolarHBondContact NH2-OD2 2.81Å; D760-T764 VanDerWaalsContact C-CG2 3.44Å; D760-T764 VanDerWaalsContact O-CG2 3.27Å; D760-T764 WeakPolarHBondContact O-CG2 3.25Å; D760-T764 PolarHBondContact O-OG1 3.43Å; D760-F771 HydrophobicContact CB-CB 3.9Å; D760-Q803 PolarHBondContact OD2-NE2 3.21Å
761	T	93.9	Very high	95.1	Very high	35 Å²	35	13.9 Å²	13.9	22%	0.215	8%	0.076	C	C	.	.	S	Bend	trans	-116.3	168.1	-178.3	56.9	0	0	0	0	112.7	T100 E255 V763	T100-T761 HydrophobicContact CG2-CG2 3.92Å; E255-T761 WeakPolarHBondContact OE2-CA 3.36Å; T761-V763 PolarHBondContact O-N 3.41Å
762	E	93.4	Very high	95.3	Very high	41 Å²	41	12.4 Å²	12.4	19%	0.192	7%	0.066	C	C	.	.	S	Bend	trans	60.8	-58.7	174.7	-66.3	-157	-111.4	0	0	117	R115 Y254 E255 S256 M259 L446	R115-E762 IonicContact NH2-OE2 3.87Å; R115-E762 PolarHBondContact NH2-OE2 3.1Å; R115-E762 VanDerWaalsContact NH2-OE2 3.09Å; Y254-E762 VanDerWaalsContact CB-O 3.3Å; Y254-E762 WeakPolarHBondContact CB-O 3.42Å; E255-E762 PolarHBondContact N-O 2.79Å; S256-E762 PolarHBondContact N-O 3.06Å; S256-E762 PolarHBondContact OG-OE2 2.8Å; S256-E762 VanDerWaalsContact OG-OE2 3.13Å; M259-E762 VanDerWaalsContact CE-O 3.26Å; M259-E762 WeakPolarHBondContact CE-O 3.35Å; L446-E762 WeakPolarHBondContact CA-OE1 3.25Å; L446-E762 VanDerWaalsContact CB-OE1 3.24Å; L446-E762 WeakPolarHBondContact CB-OE1 3.41Å
763	V	95.5	Very high	95.4	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.055	C	C	.	.	S	Bend	trans	-94.3	1.5	-176.6	-66.3	0	0	0	0	113.4	A111 F113 Y254 M259 L444 L446 F742 I759 T761 Y772	A111-V763 HydrophobicContact CB-CG1 4.27Å; F113-V763 HydrophobicContact CD1-CB 4.42Å; F113-V763 HydrophobicContact CD1-CG1 3.9Å; F113-V763 HydrophobicContact CD2-CG1 4.12Å; F113-V763 HydrophobicContact CE1-CB 3.84Å; F113-V763 HydrophobicContact CE1-CG1 3.81Å; F113-V763 HydrophobicContact CE2-CB 4.31Å; F113-V763 HydrophobicContact CE2-CG1 4.06Å; F113-V763 HydrophobicContact CG-CG1 4.06Å; F113-V763 HydrophobicContact CZ-CB 3.79Å; F113-V763 HydrophobicContact CZ-CG1 3.91Å; Y254-V763 WeakPolarHBondContact CD1-O 3.39Å; Y254-V763 WeakPolarHBondContact CE1-O 3.4Å; M259-V763 HydrophobicContact CE-CG1 4.22Å; L444-V763 HydrophobicContact CD2-CG1 3.31Å; L446-V763 HydrophobicContact CD1-CG1 4.07Å; L446-V763 HydrophobicContact CD1-CG2 3.94Å; F742-V763 HydrophobicContact CE1-CG2 3.87Å; F742-V763 HydrophobicContact CZ-CG2 3.86Å; I759-V763 HydrophobicContact CG2-CG2 3.62Å; T761-V763 PolarHBondContact O-N 3.41Å; V763-Y772 HydrophobicContact CG2-CD2 4.33Å; V763-Y772 HydrophobicContact CG2-CE2 4.05Å
764	T	94.8	Very high	95.5	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.054	C	C	.	.	S	Bend	trans	-88	167.4	173.5	56.7	0	0	0	0	110.3	K99 Y254 E255 D760 D770 Y772	K99-T764 WeakPolarHBondContact CE-OG1 3.27Å; K99-T764 VanDerWaalsContact NZ-CB 3.32Å; K99-T764 PolarHBondContact NZ-OG1 2.85Å; K99-T764 VanDerWaalsContact NZ-OG1 3.13Å; Y254-T764 WeakPolarHBondContact CA-O 3.26Å; E255-T764 PolarHBondContact N-O 3.03Å; E255-T764 VanDerWaalsContact N-O 3.11Å; E255-T764 PolarHBondContact OE2-OG1 3.35Å; D760-T764 VanDerWaalsContact C-CG2 3.44Å; D760-T764 VanDerWaalsContact O-CG2 3.27Å; D760-T764 WeakPolarHBondContact O-CG2 3.25Å; D760-T764 PolarHBondContact O-OG1 3.43Å; T764-D770 WeakPolarHBondContact CB-OD1 3.28Å; T764-D770 WeakPolarHBondContact CG2-O 3.47Å; T764-Y772 HydrophobicContact CG2-CD2 4.08Å; T764-Y772 HydrophobicContact CG2-CE2 3.97Å
765	R	91.5	Very high	95.4	Very high	19 Å²	19	9.5 Å²	9.5	7%	0.072	5%	0.049	C	C	.	.			trans	-91.2	126.3	-175	-78.4	-70.9	-76.4	-96.8	5.8	111	D83 K99 N253 E767 W768 D770	D83-R765 IonicContact OD2-NH2 3.63Å; D83-R765 PolarHBondContact OD2-NH2 2.96Å; D83-R765 VanDerWaalsContact OD2-NH2 3.16Å; K99-R765 PolarHBondContact NZ-O 2.9Å; N253-R765 WeakPolarHBondContact O-CD 3.32Å; R765-E767 WeakPolarHBondContact CB-OE2 3.2Å; R765-E767 IonicContact CZ-OE1 2.83Å; R765-E767 VanDerWaalsContact NE-CD 3.31Å; R765-E767 IonicContact NE-OE1 3.52Å; R765-E767 PolarHBondContact NE-OE1 2.88Å; R765-E767 IonicContact NE-OE2 2.7Å; R765-E767 PolarHBondContact NE-OE2 2.81Å; R765-E767 IonicContact NH2-OE1 3.4Å; R765-E767 PolarHBondContact NH2-OE1 3.21Å; R765-E767 PolarHBondContact O-N 3.47Å; R765-W768 HydrophobicContact CB-CB 4Å; R765-W768 HydrophobicContact CB-CD2 3.75Å; R765-W768 HydrophobicContact CB-CE3 3.63Å; R765-W768 HydrophobicContact CB-CG 3.94Å; R765-W768 HydrophobicContact CB-CZ3 4.35Å; R765-W768 HydrophobicContact CG-CD2 4.09Å; R765-W768 HydrophobicContact CG-CE3 3.6Å; R765-W768 HydrophobicContact CG-CH2 4.45Å; R765-W768 HydrophobicContact CG-CZ3 3.81Å; R765-W768 PolarHBondContact O-N 3.36Å; R765-W768 VanDerWaalsContact O-O 3.1Å; R765-D770 PolarHBondContact N-OD1 2.94Å; R765-D770 PolarHBondContact N-OD2 3.42Å
766	P	89.6	Confident	95.1	Very high	42 Å²	42	12 Å²	12	27%	0.273	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-33.2	-175.5	21.9	-32.6	0	0	0	113	R89 E255	R89-P766 WeakPolarHBondContact CD-O 3.4Å; R89-P766 PolarHBondContact NH1-O 3.14Å; R89-P766 VanDerWaalsContact NH1-O 3.15Å; E255-P766 HydrophobicContact CG-CB 4.26Å
767	E	88.3	Confident	94.7	Very high	30 Å²	30	14.4 Å²	14.4	14%	0.14	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-12.9	178.1	67	-89.1	-128	0	0	114.9	Y87 T88 R89 R765	Y87-E767 CarbonylContact C-O 3.41Å; Y87-E767 HydrophobicContact CD1-CB 3.6Å; Y87-E767 HydrophobicContact CE1-CB 3.91Å; Y87-E767 HydrophobicContact CG-CB 4.45Å; T88-E767 PolarHBondContact N-O 3.06Å; T88-E767 VanDerWaalsContact N-O 3.17Å; R89-E767 WeakPolarHBondContact CB-O 3.49Å; R89-E767 PolarHBondContact N-O 3.32Å; R89-E767 VanDerWaalsContact N-O 3.16Å; R765-E767 WeakPolarHBondContact CB-OE2 3.2Å; R765-E767 IonicContact CZ-OE1 2.83Å; R765-E767 VanDerWaalsContact NE-CD 3.31Å; R765-E767 IonicContact NE-OE1 3.52Å; R765-E767 PolarHBondContact NE-OE1 2.88Å; R765-E767 IonicContact NE-OE2 2.7Å; R765-E767 PolarHBondContact NE-OE2 2.81Å; R765-E767 IonicContact NH2-OE1 3.4Å; R765-E767 PolarHBondContact NH2-OE1 3.21Å; R765-E767 PolarHBondContact O-N 3.47Å
768	W	92.6	Very high	94.1	Very high	10 Å²	10	16.2 Å²	16.2	4%	0.038	9%	0.089	C	C	.	.	S	Bend	trans	-109.9	145.5	-176.5	-64.3	-15.8	0	0	0	112.3	V86 T88 K99 D700 L703 R765 D770 N789	V86-W768 PolarHBondContact O-NE1 3.37Å; T88-W768 WeakPolarHBondContact OG1-CA 3.31Å; K99-W768 VanDerWaalsContact CD-O 3.28Å; K99-W768 WeakPolarHBondContact CD-O 3.45Å; K99-W768 PolarHBondContact NZ-O 3.21Å; D700-W768 HydrophobicContact CB-CH2 4.5Å; L703-W768 HydrophobicContact CD1-CH2 4.13Å; L703-W768 HydrophobicContact CD1-CZ2 3.71Å; R765-W768 HydrophobicContact CB-CB 4Å; R765-W768 HydrophobicContact CB-CD2 3.75Å; R765-W768 HydrophobicContact CB-CE3 3.63Å; R765-W768 HydrophobicContact CB-CG 3.94Å; R765-W768 HydrophobicContact CB-CZ3 4.35Å; R765-W768 HydrophobicContact CG-CD2 4.09Å; R765-W768 HydrophobicContact CG-CE3 3.6Å; R765-W768 HydrophobicContact CG-CH2 4.45Å; R765-W768 HydrophobicContact CG-CZ3 3.81Å; R765-W768 PolarHBondContact O-N 3.36Å; R765-W768 VanDerWaalsContact O-O 3.1Å; W768-D770 VanDerWaalsContact C-N 3.29Å; W768-D770 HydrophobicContact CB-CB 3.92Å; W768-D770 HydrophobicContact CE3-CB 4.37Å; W768-D770 PolarHBondContact O-N 2.85Å; W768-N789 VanDerWaalsContact CG-ND2 3.27Å
769	Y	95.2	Very high	93.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	80.2	156.2	178	-171.7	0	0	0	108.6	T88 M92 H94 V95 K99 F771 N789 V790 P799 M802	T88-Y769 PolarHBondContact OG1-N 2.91Å; M92-Y769 HydrophobicContact SD-CD1 3.82Å; H94-Y769 AromaticContact NE2-CE1 3.96Å; V95-Y769 HydrophobicContact CB-CD1 4.26Å; V95-Y769 HydrophobicContact CB-CG 4.3Å; V95-Y769 HydrophobicContact CG1-CD1 3.84Å; V95-Y769 HydrophobicContact CG1-CD2 4.26Å; V95-Y769 HydrophobicContact CG1-CE1 3.73Å; V95-Y769 HydrophobicContact CG1-CE2 4.19Å; V95-Y769 HydrophobicContact CG1-CG 4.12Å; V95-Y769 HydrophobicContact CG2-CD1 3.69Å; V95-Y769 HydrophobicContact CG2-CE1 4.36Å; V95-Y769 HydrophobicContact CG2-CG 3.92Å; K99-Y769 HydrophobicContact CB-CD2 3.94Å; K99-Y769 HydrophobicContact CB-CE2 4.46Å; Y769-F771 HydrophobicContact CE2-CD1 4.31Å; Y769-F771 HydrophobicContact CE2-CE1 4.41Å; Y769-N789 PolarHBondContact O-OD1 3.16Å; Y769-V790 HydrophobicContact CD1-CB 3.53Å; Y769-V790 HydrophobicContact CD1-CG1 3.89Å; Y769-V790 HydrophobicContact CD1-CG2 3.72Å; Y769-V790 HydrophobicContact CD2-CG2 4.11Å; Y769-V790 HydrophobicContact CE1-CB 3.94Å; Y769-V790 HydrophobicContact CE1-CG1 4.05Å; Y769-V790 HydrophobicContact CE1-CG2 3.69Å; Y769-V790 HydrophobicContact CE2-CG2 4.05Å; Y769-V790 HydrophobicContact CG-CB 3.85Å; Y769-V790 HydrophobicContact CG-CG2 3.92Å; Y769-V790 PolarHBondContact O-N 2.97Å; Y769-P799 HydrophobicContact CE2-CB 4.24Å; Y769-P799 HydrophobicContact CE2-CG 4.32Å; Y769-P799 WeakPolarHBondContact OH-CA 3.37Å; Y769-M802 VanDerWaalsContact OH-CB 3.32Å; Y769-M802 WeakPolarHBondContact OH-CB 3.47Å
770	D	96	Very high	92.6	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	150.6	-178	72.8	-44.2	0	0	0	114.1	K99 T764 R765 W768 H787 Y788 N789	K99-D770 IonicContact NZ-OD1 3.69Å; K99-D770 PolarHBondContact NZ-OD1 2.96Å; T764-D770 WeakPolarHBondContact CB-OD1 3.28Å; T764-D770 WeakPolarHBondContact CG2-O 3.47Å; R765-D770 PolarHBondContact N-OD1 2.94Å; R765-D770 PolarHBondContact N-OD2 3.42Å; W768-D770 VanDerWaalsContact C-N 3.29Å; W768-D770 HydrophobicContact CB-CB 3.92Å; W768-D770 HydrophobicContact CE3-CB 4.37Å; W768-D770 PolarHBondContact O-N 2.85Å; D770-H787 IonicContact OD2-CD2 2.68Å; D770-H787 IonicContact OD2-CE1 3.2Å; D770-H787 PolarHBondContact OD2-CE1 3.37Å; D770-H787 IonicContact OD2-NE2 2.82Å; D770-H787 PolarHBondContact OD2-NE2 2.65Å; D770-Y788 CarbonylContact C-O 3.56Å; D770-Y788 WeakPolarHBondContact CA-O 3.37Å; D770-Y788 WeakPolarHBondContact CB-O 3.44Å; D770-N789 HydrophobicContact CB-CB 4.03Å
771	F	98	Very high	92.3	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	159.5	178.7	59.1	-92.9	0	0	0	111.7	D760 Y769 I773 H787 Y788 V790 M802 Q803 T806	D760-F771 HydrophobicContact CB-CB 3.9Å; Y769-F771 HydrophobicContact CE2-CD1 4.31Å; Y769-F771 HydrophobicContact CE2-CE1 4.41Å; F771-I773 HydrophobicContact CD2-CD1 4.16Å; F771-I773 HydrophobicContact CD2-CG1 3.85Å; F771-I773 HydrophobicContact CE2-CD1 3.8Å; F771-I773 HydrophobicContact CE2-CG1 3.95Å; F771-H787 PolarHBondContact O-CD2 3.44Å; F771-Y788 AromaticContact CD2-CD2 3.92Å; F771-Y788 HydrophobicContact CD2-CD2 3.92Å; F771-Y788 HydrophobicContact CD2-CG 4.29Å; F771-Y788 AromaticContact CE2-CD2 3.6Å; F771-Y788 HydrophobicContact CE2-CD2 3.6Å; F771-Y788 HydrophobicContact CE2-CE2 4.48Å; F771-Y788 AromaticContact CE2-CG 3.71Å; F771-Y788 HydrophobicContact CE2-CG 3.71Å; F771-Y788 HydrophobicContact CZ-CD2 4.44Å; F771-Y788 HydrophobicContact CZ-CG 4.11Å; F771-Y788 PolarHBondContact N-O 3.28Å; F771-Y788 PolarHBondContact O-N 2.99Å; F771-V790 HydrophobicContact CE1-CG2 4.37Å; F771-M802 HydrophobicContact CE1-CG 4.15Å; F771-M802 HydrophobicContact CZ-CG 4.24Å; F771-Q803 HydrophobicContact CD1-CG 4.1Å; F771-Q803 HydrophobicContact CD2-CG 3.88Å; F771-Q803 HydrophobicContact CE1-CG 4.2Å; F771-Q803 HydrophobicContact CE2-CG 4Å; F771-Q803 HydrophobicContact CG-CG 3.94Å; F771-Q803 HydrophobicContact CZ-CG 4.16Å; F771-T806 HydrophobicContact CE2-CG2 4.34Å
772	Y	98.5	Very high	92.1	Very high	11 Å²	11	27.8 Å²	27.8	4%	0.043	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	142.5	174.6	-60.6	-92.1	0	0	0	110.5	I738 S740 F742 V758 I759 V763 T764 P785 T786 H787	I738-Y772 HydrophobicContact CD1-CD1 3.86Å; I738-Y772 HydrophobicContact CD1-CE1 3.78Å; S740-Y772 PolarHBondContact OG-OH 2.78Å; F742-Y772 HydrophobicContact CE2-CD1 4.12Å; F742-Y772 HydrophobicContact CE2-CD2 4.26Å; F742-Y772 AromaticContact CE2-CG 3.84Å; F742-Y772 HydrophobicContact CE2-CG 3.84Å; F742-Y772 HydrophobicContact CZ-CD1 4.45Å; F742-Y772 HydrophobicContact CZ-CD2 4.04Å; F742-Y772 HydrophobicContact CZ-CE2 4.39Å; F742-Y772 HydrophobicContact CZ-CG 4.08Å; V758-Y772 VanDerWaalsContact CA-O 3.32Å; V758-Y772 WeakPolarHBondContact CA-O 3.09Å; I759-Y772 HydrophobicContact CB-CD2 4.49Å; I759-Y772 PolarHBondContact N-O 3.05Å; I759-Y772 PolarHBondContact O-N 3.07Å; V763-Y772 HydrophobicContact CG2-CD2 4.33Å; V763-Y772 HydrophobicContact CG2-CE2 4.05Å; T764-Y772 HydrophobicContact CG2-CD2 4.08Å; T764-Y772 HydrophobicContact CG2-CE2 3.97Å; Y772-P785 HydrophobicContact CD1-CB 4.44Å; Y772-P785 HydrophobicContact CD1-CG 4.45Å; Y772-T786 CarbonylContact C-O 3.45Å; Y772-T786 WeakPolarHBondContact CA-O 3.21Å; Y772-H787 HydrophobicContact CD1-CB 3.6Å; Y772-H787 AromaticContact CD1-CD2 3.71Å; Y772-H787 AromaticContact CD1-CG 3.94Å; Y772-H787 HydrophobicContact CE1-CB 3.49Å; Y772-H787 VanDerWaalsContact CE1-CB 3.49Å; Y772-H787 AromaticContact CE1-CD2 3.4Å; Y772-H787 VanDerWaalsContact CE1-CD2 3.4Å; Y772-H787 WeakPolarHBondContact CE1-CD2 3.24Å; Y772-H787 AromaticContact CE1-CG 3.53Å; Y772-H787 AromaticContact CE2-CD2 3.79Å; Y772-H787 AromaticContact CZ-CD2 3.43Å; Y772-H787 VanDerWaalsContact CZ-CD2 3.43Å; Y772-H787 AromaticContact CZ-CG 3.92Å; Y772-H787 AromaticContact CZ-NE2 3.74Å
773	I	98.4	Very high	92.1	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.7	167	-47.1	-170.6	0	0	0	110.6	T757 V758 F771 T786 Y788 Q803 T806 Y807	T757-I773 CarbonylContact O-C 3.53Å; T757-I773 WeakPolarHBondContact O-CA 3.2Å; V758-I773 HydrophobicContact CG2-CD1 4.36Å; V758-I773 HydrophobicContact CG2-CG1 4.18Å; V758-I773 HydrophobicContact CG2-CG2 4.42Å; F771-I773 HydrophobicContact CD2-CD1 4.16Å; F771-I773 HydrophobicContact CD2-CG1 3.85Å; F771-I773 HydrophobicContact CE2-CD1 3.8Å; F771-I773 HydrophobicContact CE2-CG1 3.95Å; I773-T786 PolarHBondContact N-O 2.97Å; I773-T786 PolarHBondContact O-N 3.16Å; I773-Y788 HydrophobicContact CB-CE2 3.97Å; I773-Y788 HydrophobicContact CD1-CE2 4.35Å; I773-Y788 HydrophobicContact CG1-CD2 4.15Å; I773-Y788 HydrophobicContact CG1-CE2 3.92Å; I773-Q803 WeakPolarHBondContact CD1-O 3.3Å; I773-T806 HydrophobicContact CD1-CG2 4.01Å; I773-Y807 HydrophobicContact CG2-CD2 4.22Å
774	V	97.8	Very high	92	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	91.9	163.6	-178.4	0	0	0	0	107.7	P755 G756 T757 V783 P785	P755-V774 CarbonylContact C-O 3.58Å; P755-V774 WeakPolarHBondContact CA-O 3.15Å; G756-V774 PolarHBondContact N-O 3.33Å; T757-V774 PolarHBondContact O-N 2.9Å; V774-V783 HydrophobicContact CG1-CB 4.42Å; V774-V783 HydrophobicContact CG1-CG1 3.83Å; V774-V783 HydrophobicContact CG1-CG2 3.76Å; V774-P785 HydrophobicContact CG2-CB 3.98Å
775	S	94.1	Very high	92.1	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.014	15%	0.147	C	C	.	.			trans	-92.2	-27.8	-175.2	61.9	0	0	0	0	114.7	I819 I820 R821	S775-I819 WeakPolarHBondContact O-CB 3.48Å; S775-I819 WeakPolarHBondContact O-CG2 3.31Å; S775-I820 WeakPolarHBondContact CB-O 3.09Å; S775-I820 PolarHBondContact OG-O 3.38Å; S775-R821 VanDerWaalsContact OG-CA 3.31Å; S775-R821 WeakPolarHBondContact OG-CA 3.43Å; S775-R821 PolarHBondContact OG-O 3.18Å
776	Q	89.6	Confident	92.4	Very high	56 Å²	56	26.8 Å²	26.8	26%	0.262	14%	0.143	S	C	.	.	S	Bend	trans	-107.8	141.2	-175.8	55.9	152.1	48.9	0	0	113.1	V778 R821	Q776-V778 VanDerWaalsContact NE2-CG1 3.29Å; Q776-R821 HydrophobicContact CG-CB 3.87Å; Q776-R821 HydrophobicContact CG-CG 4.15Å
777	S	88.5	Confident	92.8	Very high	52 Å²	52	25.1 Å²	25.1	36%	0.364	13%	0.132	S	C	.	.			trans	-77.5	146.8	167.3	-167.9	0	0	0	0	111.1	Q468	Q468-S777 VanDerWaalsContact O-CB 3.32Å; Q468-S777 WeakPolarHBondContact O-CB 3.22Å; Q468-S777 PolarHBondContact O-OG 3.44Å
778	V	87.1	Confident	93.3	Very high	37 Å²	37	23.7 Å²	23.7	22%	0.224	13%	0.125	C	C	.	.			trans	-128.3	132.2	177.3	-59.6	0	0	0	0	111.7	N752 Q776 S780 V783	N752-V778 WeakPolarHBondContact ND2-CG2 3.33Å; Q776-V778 VanDerWaalsContact NE2-CG1 3.29Å; V778-S780 VanDerWaalsContact C-N 3.34Å; V778-S780 PolarHBondContact O-N 2.94Å; V778-V783 HydrophobicContact CG1-CB 4.41Å; V778-V783 HydrophobicContact CG1-CG2 4.05Å; V778-V783 HydrophobicContact CG2-CB 3.84Å; V778-V783 HydrophobicContact CG2-CG2 4.34Å
779	R	83.3	Confident	93.4	Very high	189 Å²	189	23.2 Å²	23.2	71%	0.713	12%	0.124	S	C	*	.	S	Bend	trans	-82.5	-7.3	-174.5	-57.7	-174.7	-176.8	-151.2	0.2	114.7
780	S	82.1	Confident	93.5	Very high	70 Å²	70	23.2 Å²	23.2	49%	0.49	12%	0.124	S	C	.	.	S	Bend	trans	-169.6	139.6	-175.7	166.5	0	0	0	0	109	V778	V778-S780 VanDerWaalsContact C-N 3.34Å; V778-S780 PolarHBondContact O-N 2.94Å
781	G	89.4	Confident	93.4	Very high	5 Å²	5	23.4 Å²	23.4	5%	0.052	13%	0.125	C	C	.	.	S	Bend	trans	81.6	171.1	-175.1	0	0	0	0	0	113.7	L406 N407 N752	L406-G781 CarbonylContact O-C 3.59Å; L406-G781 VanDerWaalsContact O-CA 3.3Å; L406-G781 WeakPolarHBondContact O-CA 3.28Å; N407-G781 WeakPolarHBondContact OD1-CA 3.48Å; N407-G781 PolarHBondContact OD1-N 3.44Å; N752-G781 PolarHBondContact ND2-O 3.33Å
782	S	90.6	Very high	93.2	Very high	17 Å²	17	26.3 Å²	26.3	12%	0.119	14%	0.136	C	C	.	.			trans	-69.9	137.5	171.1	-42.5	0	0	0	0	111.6	L406 R411 N752	L406-S782 PolarHBondContact O-N 2.87Å; L406-S782 PolarHBondContact O-OG 3.43Å; L406-S782 VanDerWaalsContact O-OG 3.05Å; R411-S782 PolarHBondContact NE-OG 3.19Å; N752-S782 WeakPolarHBondContact OD1-CA 3.48Å
783	V	93.3	Very high	93.1	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.018	14%	0.138	C	C	.	.			trans	-67.9	144.8	170.5	71.9	0	0	0	0	110.2	N752 V774 V778	N752-V783 HydrophobicContact CB-CB 4.38Å; N752-V783 HydrophobicContact CB-CG1 4.09Å; N752-V783 PolarHBondContact OD1-N 2.98Å; V774-V783 HydrophobicContact CG1-CB 4.42Å; V774-V783 HydrophobicContact CG1-CG1 3.83Å; V774-V783 HydrophobicContact CG1-CG2 3.76Å; V778-V783 HydrophobicContact CG1-CB 4.41Å; V778-V783 HydrophobicContact CG1-CG2 4.05Å; V778-V783 HydrophobicContact CG2-CB 3.84Å; V778-V783 HydrophobicContact CG2-CG2 4.34Å
784	S	93.5	Very high	92.9	Very high	35 Å²	35	29.7 Å²	29.7	25%	0.245	16%	0.157	C	C	.	.			trans	-107.8	116.7	171.1	-59.2	0	0	0	0	108.3	R821	S784-R821 PolarHBondContact O-NE 3.29Å; S784-R821 PolarHBondContact O-NH2 3.43Å
785	P	96.9	Very high	92.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.			trans	-59.5	167.3	172.8	24.8	-33.1	0	0	0	111.1	I738 S740 F742 Y772 V774 R821	I738-P785 HydrophobicContact CD1-CG 4.01Å; I738-P785 WeakPolarHBondContact CD1-O 3.19Å; S740-P785 WeakPolarHBondContact O-CD 3.36Å; S740-P785 WeakPolarHBondContact O-CG 3.42Å; F742-P785 HydrophobicContact CD2-CB 4.1Å; F742-P785 HydrophobicContact CD2-CG 3.71Å; F742-P785 HydrophobicContact CE2-CB 4.1Å; F742-P785 HydrophobicContact CE2-CG 3.69Å; Y772-P785 HydrophobicContact CD1-CB 4.44Å; Y772-P785 HydrophobicContact CD1-CG 4.45Å; V774-P785 HydrophobicContact CG2-CB 3.98Å; P785-R821 PolarHBondContact O-NH2 3.45Å
786	T	98.1	Very high	92.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	134.1	164.3	-61.7	0	0	0	0	108.2	V734 Y772 I773 Y788 R821 V822	V734-T786 HydrophobicContact CG1-CG2 3.61Å; Y772-T786 CarbonylContact C-O 3.45Å; Y772-T786 WeakPolarHBondContact CA-O 3.21Å; I773-T786 PolarHBondContact N-O 2.97Å; I773-T786 PolarHBondContact O-N 3.16Å; T786-Y788 HydrophobicContact CG2-CD2 4.38Å; T786-Y788 HydrophobicContact CG2-CE1 3.93Å; T786-Y788 HydrophobicContact CG2-CE2 3.69Å; T786-Y788 VanDerWaalsContact CG2-CZ 3.42Å; T786-Y788 WeakPolarHBondContact CG2-OH 3.35Å; T786-Y788 WeakPolarHBondContact O-CD2 3.34Å; T786-Y788 WeakPolarHBondContact O-CE2 3.13Å; T786-R821 WeakPolarHBondContact CB-O 3.16Å; T786-R821 VanDerWaalsContact OG1-CG 3.28Å; T786-R821 WeakPolarHBondContact OG1-CG 3.34Å; T786-R821 PolarHBondContact OG1-O 3.2Å; T786-V822 HydrophobicContact CG2-CG1 4.18Å
787	H	97.8	Very high	92.3	Very high	8 Å²	8	29.9 Å²	29.9	4%	0.037	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	138.1	177.2	-178.7	-139.6	0	0	0	109.5	K735 I738 D770 F771 Y772	K735-H787 HydrophobicContact CB-CB 4.17Å; K735-H787 PolarHBondContact N-O 2.75Å; K735-H787 PolarHBondContact O-N 3.41Å; I738-H787 HydrophobicContact CD1-CB 3.84Å; I738-H787 HydrophobicContact CG2-CB 4.15Å; D770-H787 IonicContact OD2-CD2 2.68Å; D770-H787 IonicContact OD2-CE1 3.2Å; D770-H787 PolarHBondContact OD2-CE1 3.37Å; D770-H787 IonicContact OD2-NE2 2.82Å; D770-H787 PolarHBondContact OD2-NE2 2.65Å; F771-H787 PolarHBondContact O-CD2 3.44Å; Y772-H787 HydrophobicContact CD1-CB 3.6Å; Y772-H787 AromaticContact CD1-CD2 3.71Å; Y772-H787 AromaticContact CD1-CG 3.94Å; Y772-H787 HydrophobicContact CE1-CB 3.49Å; Y772-H787 VanDerWaalsContact CE1-CB 3.49Å; Y772-H787 AromaticContact CE1-CD2 3.4Å; Y772-H787 VanDerWaalsContact CE1-CD2 3.4Å; Y772-H787 WeakPolarHBondContact CE1-CD2 3.24Å; Y772-H787 AromaticContact CE1-CG 3.53Å; Y772-H787 AromaticContact CE2-CD2 3.79Å; Y772-H787 AromaticContact CZ-CD2 3.43Å; Y772-H787 VanDerWaalsContact CZ-CD2 3.43Å; Y772-H787 AromaticContact CZ-CG 3.92Å; Y772-H787 AromaticContact CZ-NE2 3.74Å
788	Y	97.9	Very high	92.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.4	-177.7	-60.1	-87.6	0	0	0	107.5	V732 V733 V734 D770 F771 I773 T786 T806 P823	V732-Y788 HydrophobicContact CG1-CD1 4.14Å; V733-Y788 WeakPolarHBondContact O-CA 3.45Å; V734-Y788 HydrophobicContact CB-CD1 4.48Å; V734-Y788 HydrophobicContact CB-CE1 4.4Å; V734-Y788 HydrophobicContact CG1-CD1 4.32Å; V734-Y788 HydrophobicContact CG1-CE1 3.83Å; V734-Y788 HydrophobicContact CG2-CD1 3.94Å; V734-Y788 HydrophobicContact CG2-CE1 3.94Å; D770-Y788 CarbonylContact C-O 3.56Å; D770-Y788 WeakPolarHBondContact CA-O 3.37Å; D770-Y788 WeakPolarHBondContact CB-O 3.44Å; F771-Y788 AromaticContact CD2-CD2 3.92Å; F771-Y788 HydrophobicContact CD2-CD2 3.92Å; F771-Y788 HydrophobicContact CD2-CG 4.29Å; F771-Y788 AromaticContact CE2-CD2 3.6Å; F771-Y788 HydrophobicContact CE2-CD2 3.6Å; F771-Y788 HydrophobicContact CE2-CE2 4.48Å; F771-Y788 AromaticContact CE2-CG 3.71Å; F771-Y788 HydrophobicContact CE2-CG 3.71Å; F771-Y788 HydrophobicContact CZ-CD2 4.44Å; F771-Y788 HydrophobicContact CZ-CG 4.11Å; F771-Y788 PolarHBondContact N-O 3.28Å; F771-Y788 PolarHBondContact O-N 2.99Å; I773-Y788 HydrophobicContact CB-CE2 3.97Å; I773-Y788 HydrophobicContact CD1-CE2 4.35Å; I773-Y788 HydrophobicContact CG1-CD2 4.15Å; I773-Y788 HydrophobicContact CG1-CE2 3.92Å; T786-Y788 HydrophobicContact CG2-CD2 4.38Å; T786-Y788 HydrophobicContact CG2-CE1 3.93Å; T786-Y788 HydrophobicContact CG2-CE2 3.69Å; T786-Y788 VanDerWaalsContact CG2-CZ 3.42Å; T786-Y788 WeakPolarHBondContact CG2-OH 3.35Å; T786-Y788 WeakPolarHBondContact O-CD2 3.34Å; T786-Y788 WeakPolarHBondContact O-CE2 3.13Å; Y788-T806 HydrophobicContact CD1-CG2 3.72Å; Y788-T806 HydrophobicContact CD2-CG2 4.2Å; Y788-T806 HydrophobicContact CE1-CG2 3.34Å; Y788-T806 HydrophobicContact CE2-CG2 3.86Å; Y788-T806 HydrophobicContact CG-CG2 4.14Å; Y788-T806 VanDerWaalsContact CZ-CG2 3.41Å; Y788-P823 HydrophobicContact CE1-CG 4.16Å
789	N	96.2	Very high	93.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	119.6	172.4	-179.8	-0.9	0	0	0	108.8	V732 V733 W768 Y769 D770 V791	V732-N789 CarbonylContact C-O 3.59Å; V732-N789 WeakPolarHBondContact CA-O 3.44Å; V733-N789 PolarHBondContact N-O 3.03Å; V733-N789 PolarHBondContact O-N 3.07Å; W768-N789 VanDerWaalsContact CG-ND2 3.27Å; Y769-N789 PolarHBondContact O-OD1 3.16Å; D770-N789 HydrophobicContact CB-CB 4.03Å; N789-V791 PolarHBondContact O-N 2.85Å
790	V	96	Very high	93.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	107.5	172.8	-170.8	0	0	0	0	107.6	T88 M92 V731 V732 Y769 F771 D793 M802	T88-V790 WeakPolarHBondContact CB-O 3.45Å; T88-V790 PolarHBondContact OG1-O 3.22Å; M92-V790 HydrophobicContact CE-CG1 4.34Å; M92-V790 HydrophobicContact SD-CG1 4.29Å; V731-V790 CarbonylContact O-C 3.53Å; V731-V790 WeakPolarHBondContact O-CA 3.02Å; V732-V790 HydrophobicContact CG1-CG2 4.46Å; V732-V790 HydrophobicContact CG2-CG2 4.21Å; Y769-V790 HydrophobicContact CD1-CB 3.53Å; Y769-V790 HydrophobicContact CD1-CG1 3.89Å; Y769-V790 HydrophobicContact CD1-CG2 3.72Å; Y769-V790 HydrophobicContact CD2-CG2 4.11Å; Y769-V790 HydrophobicContact CE1-CB 3.94Å; Y769-V790 HydrophobicContact CE1-CG1 4.05Å; Y769-V790 HydrophobicContact CE1-CG2 3.69Å; Y769-V790 HydrophobicContact CE2-CG2 4.05Å; Y769-V790 HydrophobicContact CG-CB 3.85Å; Y769-V790 HydrophobicContact CG-CG2 3.92Å; Y769-V790 PolarHBondContact O-N 2.97Å; F771-V790 HydrophobicContact CE1-CG2 4.37Å; V790-D793 HydrophobicContact CG1-CB 3.99Å; V790-M802 HydrophobicContact CG2-CG 4.36Å
791	V	94.6	Very high	94.4	Very high	5 Å²	5	25 Å²	25	3%	0.03	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-17.3	-175.8	-62.2	0	0	0	0	113.7	T88 L703 V706 V707 V731 V733 N789	T88-V791 HydrophobicContact CG2-CB 4.29Å; T88-V791 HydrophobicContact CG2-CG1 4.32Å; L703-V791 HydrophobicContact CD2-CG1 4.03Å; V706-V791 HydrophobicContact CG1-CG2 4.23Å; V707-V791 HydrophobicContact CG2-CB 3.94Å; V707-V791 HydrophobicContact CG2-CG2 4.2Å; V731-V791 HydrophobicContact CB-CG2 4.08Å; V731-V791 HydrophobicContact CG1-CG2 3.89Å; V731-V791 WeakPolarHBondContact O-CG2 3.21Å; V731-V791 PolarHBondContact O-N 2.98Å; V733-V791 HydrophobicContact CB-CG1 4.36Å; V733-V791 HydrophobicContact CG2-CB 4.49Å; V733-V791 HydrophobicContact CG2-CG1 3.7Å; V733-V791 HydrophobicContact CG2-CG2 3.91Å; N789-V791 PolarHBondContact O-N 2.85Å
792	Y	94.4	Very high	94.8	Very high	62 Å²	62	24.8 Å²	24.8	24%	0.243	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	136.6	175.5	-175.4	-92.6	0	0	0	108.7	V711 L729 S730 V731 T794	V711-Y792 HydrophobicContact CG1-CD1 3.88Å; V711-Y792 HydrophobicContact CG1-CD2 3.9Å; V711-Y792 HydrophobicContact CG1-CE1 4.08Å; V711-Y792 HydrophobicContact CG1-CE2 4.11Å; V711-Y792 HydrophobicContact CG1-CG 3.78Å; V711-Y792 HydrophobicContact CG2-CG 4.49Å; L729-Y792 HydrophobicContact CB-CE1 4.13Å; L729-Y792 HydrophobicContact CD2-CD1 4.21Å; L729-Y792 HydrophobicContact CD2-CE1 3.94Å; L729-Y792 HydrophobicContact CG-CD1 4.15Å; L729-Y792 HydrophobicContact CG-CE1 4.08Å; S730-Y792 CarbonylContact C-O 3.41Å; S730-Y792 WeakPolarHBondContact CA-O 3.5Å; V731-Y792 PolarHBondContact N-O 2.96Å; Y792-T794 HydrophobicContact CE1-CG2 3.85Å
793	D	94.7	Very high	95.2	Very high	17 Å²	17	24 Å²	24	9%	0.091	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	128.6	171.4	-174.4	61.6	0	0	0	112.1	M92 H94 L729 S730 V790 S795 G796	M92-D793 HydrophobicContact CE-CB 4.31Å; M92-D793 HydrophobicContact SD-CB 3.94Å; H94-D793 IonicContact CE1-OD2 3.44Å; H94-D793 PolarHBondContact CE1-OD2 3.42Å; H94-D793 IonicContact NE2-OD2 3.74Å; L729-D793 CarbonylContact O-C 3.59Å; L729-D793 WeakPolarHBondContact O-CA 3.35Å; S730-D793 VanDerWaalsContact CB-OD1 3.27Å; S730-D793 WeakPolarHBondContact CB-OD1 3.32Å; S730-D793 PolarHBondContact OG-OD1 2.82Å; V790-D793 HydrophobicContact CG1-CB 3.99Å; D793-S795 VanDerWaalsContact CG-N 3.25Å; D793-S795 VanDerWaalsContact CG-OG 3.27Å; D793-S795 WeakPolarHBondContact OD1-CB 3.21Å; D793-S795 PolarHBondContact OD1-N 2.9Å; D793-S795 PolarHBondContact OD1-OG 3.5Å; D793-S795 PolarHBondContact OD2-N 3.36Å; D793-S795 PolarHBondContact OD2-OG 3.07Å; D793-S795 VanDerWaalsContact OD2-OG 3.13Å; D793-G796 PolarHBondContact OD2-N 3.43Å
794	T	94.3	Very high	95.4	Very high	65 Å²	65	28.4 Å²	28.4	40%	0.399	15%	0.147	S	C	.	.			trans	-114.3	6.5	163	62.4	0	0	0	0	112.2	L729 Y792	L729-T794 PolarHBondContact N-OG1 2.8Å; L729-T794 PolarHBondContact O-N 3.39Å; L729-T794 PolarHBondContact O-OG1 2.84Å; Y792-T794 HydrophobicContact CE1-CG2 3.85Å
795	S	89.8	Confident	95.6	Very high	6 Å²	6	27 Å²	27	4%	0.042	14%	0.137	C	C	.	.	S	Bend	trans	-75.2	-35.9	-176.6	78.4	0	0	0	0	113.8	K728 S730 D793 L797	K728-S795 PolarHBondContact NZ-O 2.84Å; S730-S795 WeakPolarHBondContact OG-CB 3.46Å; S730-S795 PolarHBondContact OG-OG 3.12Å; D793-S795 VanDerWaalsContact CG-N 3.25Å; D793-S795 VanDerWaalsContact CG-OG 3.27Å; D793-S795 WeakPolarHBondContact OD1-CB 3.21Å; D793-S795 PolarHBondContact OD1-N 2.9Å; D793-S795 PolarHBondContact OD1-OG 3.5Å; D793-S795 PolarHBondContact OD2-N 3.36Å; D793-S795 PolarHBondContact OD2-OG 3.07Å; D793-S795 VanDerWaalsContact OD2-OG 3.13Å; S795-L797 VanDerWaalsContact C-N 3.28Å; S795-L797 WeakPolarHBondContact OG-CB 3.37Å; S795-L797 WeakPolarHBondContact OG-CG 3.43Å; S795-L797 PolarHBondContact OG-N 3.09Å
796	G	86.9	Confident	95.7	Very high	43 Å²	43	27 Å²	27	44%	0.443	14%	0.137	S	C	.	.			trans	69.8	24.9	-171.2	0	0	0	0	0	112.9	D793 K798	D793-G796 PolarHBondContact OD2-N 3.43Å; G796-K798 PolarHBondContact O-N 3.09Å
797	L	92.3	Very high	95.7	Very high	13 Å²	13	27 Å²	27	7%	0.068	14%	0.137	C	C	.	.			trans	-72.2	117.1	176.9	-81.7	173.6	0	0	0	110.9	H94 I692 S795 H801 M802	H94-L797 PolarHBondContact NE2-O 3.26Å; I692-L797 HydrophobicContact CD1-CD1 3.69Å; S795-L797 VanDerWaalsContact C-N 3.28Å; S795-L797 WeakPolarHBondContact OG-CB 3.37Å; S795-L797 WeakPolarHBondContact OG-CG 3.43Å; S795-L797 PolarHBondContact OG-N 3.09Å; L797-H801 HydrophobicContact CD2-CB 4.01Å; L797-M802 HydrophobicContact CB-CE 4.41Å; L797-M802 HydrophobicContact CD1-CE 4.15Å
798	K	95.7	Very high	95.7	Very high	142 Å²	142	27.4 Å²	27.4	62%	0.617	14%	0.138	S	C	*	.			trans	-43.8	139	169.8	-65.9	-171.1	176.9	-172.9	0	110.9	G796 D800 H801 M802	G796-K798 PolarHBondContact O-N 3.09Å; K798-D800 PolarHBondContact O-N 3Å; K798-D800 VanDerWaalsContact O-N 3.07Å; K798-H801 WeakPolarHBondContact O-CB 3.26Å; K798-H801 PolarHBondContact O-N 3.44Å; K798-M802 PolarHBondContact O-N 2.94Å
799	P	96.6	Very high	95.7	Very high	11 Å²	11	27.4 Å²	27.4	7%	0.071	14%	0.138	C	C	.	.	H	α-helix	trans	-48	-41.7	-178	-31.9	35.2	0	0	0	115	V95 K99 Y769 H801 M802 Q803	V95-P799 HydrophobicContact CG1-CG 3.67Å; K99-P799 WeakPolarHBondContact O-CB 3.16Å; Y769-P799 HydrophobicContact CE2-CB 4.24Å; Y769-P799 HydrophobicContact CE2-CG 4.32Å; Y769-P799 WeakPolarHBondContact OH-CA 3.37Å; P799-H801 VanDerWaalsContact C-N 3.28Å; P799-H801 PolarHBondContact O-N 3.49Å; P799-M802 PolarHBondContact O-N 2.72Å; P799-Q803 WeakPolarHBondContact O-CB 3.36Å; P799-Q803 WeakPolarHBondContact O-CG 3.45Å; P799-Q803 PolarHBondContact O-N 3.25Å
800	D	97.2	Very high	95.8	Very high	7 Å²	7	27.4 Å²	27.4	4%	0.037	14%	0.139	C	C	.	.	H	α-helix	trans	-55	-41.9	176.4	-165.6	69.9	0	0	0	113.4	T102 S103 R449 K798 Q803 R804	T102-D800 PolarHBondContact N-OD1 3.34Å; S103-D800 WeakPolarHBondContact CA-OD1 3.1Å; S103-D800 WeakPolarHBondContact CB-OD1 3.39Å; S103-D800 WeakPolarHBondContact CB-OD2 3.26Å; S103-D800 PolarHBondContact N-OD1 2.83Å; S103-D800 VanDerWaalsContact OG-CG 3.27Å; S103-D800 PolarHBondContact OG-OD1 3.02Å; S103-D800 PolarHBondContact OG-OD2 3.18Å; R449-D800 IonicContact NH1-OD1 2.76Å; K798-D800 PolarHBondContact O-N 3Å; K798-D800 VanDerWaalsContact O-N 3.07Å; D800-Q803 PolarHBondContact O-N 3.41Å; D800-R804 VanDerWaalsContact O-CB 3.31Å; D800-R804 WeakPolarHBondContact O-CB 3.32Å; D800-R804 VanDerWaalsContact O-CG 3.25Å; D800-R804 WeakPolarHBondContact O-CG 3.35Å; D800-R804 PolarHBondContact O-N 2.96Å; D800-R804 WeakPolarHBondContact OD2-CD 3.2Å; D800-R804 IonicContact OD2-NH1 2.82Å
801	H	97.1	Very high	95.9	Very high	86 Å²	86	27.4 Å²	27.4	40%	0.398	14%	0.139	S	C	.	.	H	α-helix	trans	-69.6	-40.1	-179.7	-59.8	176.8	0	0	0	111.2	L797 K798 P799 L805	L797-H801 HydrophobicContact CD2-CB 4.01Å; K798-H801 WeakPolarHBondContact O-CB 3.26Å; K798-H801 PolarHBondContact O-N 3.44Å; P799-H801 VanDerWaalsContact C-N 3.28Å; P799-H801 PolarHBondContact O-N 3.49Å; H801-L805 WeakPolarHBondContact O-CB 3.46Å; H801-L805 PolarHBondContact O-N 2.76Å
802	M	97.6	Very high	96	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-66	-42.8	176.3	-170.6	63	75.3	0	0	111.3	I692 V732 Y769 F771 V790 L797 K798 P799 T806	I692-M802 HydrophobicContact CG2-SD 4.34Å; V732-M802 HydrophobicContact CG2-SD 4.09Å; Y769-M802 VanDerWaalsContact OH-CB 3.32Å; Y769-M802 WeakPolarHBondContact OH-CB 3.47Å; F771-M802 HydrophobicContact CE1-CG 4.15Å; F771-M802 HydrophobicContact CZ-CG 4.24Å; V790-M802 HydrophobicContact CG2-CG 4.36Å; L797-M802 HydrophobicContact CB-CE 4.41Å; L797-M802 HydrophobicContact CD1-CE 4.15Å; K798-M802 PolarHBondContact O-N 2.94Å; P799-M802 PolarHBondContact O-N 2.72Å; M802-T806 WeakPolarHBondContact O-CB 2.98Å; M802-T806 PolarHBondContact O-N 3.43Å; M802-T806 PolarHBondContact O-OG1 2.94Å
803	Q	98.4	Very high	96.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.8	-47.4	177	-67.8	165.4	6.9	0	0	111.6	V758 D760 F771 I773 P799 D800 T806 Y807	V758-Q803 HydrophobicContact CG1-CG 4.26Å; D760-Q803 PolarHBondContact OD2-NE2 3.21Å; F771-Q803 HydrophobicContact CD1-CG 4.1Å; F771-Q803 HydrophobicContact CD2-CG 3.88Å; F771-Q803 HydrophobicContact CE1-CG 4.2Å; F771-Q803 HydrophobicContact CE2-CG 4Å; F771-Q803 HydrophobicContact CG-CG 3.94Å; F771-Q803 HydrophobicContact CZ-CG 4.16Å; I773-Q803 WeakPolarHBondContact CD1-O 3.3Å; P799-Q803 WeakPolarHBondContact O-CB 3.36Å; P799-Q803 WeakPolarHBondContact O-CG 3.45Å; P799-Q803 PolarHBondContact O-N 3.25Å; D800-Q803 PolarHBondContact O-N 3.41Å; Q803-T806 WeakPolarHBondContact O-CB 3.39Å; Q803-T806 PolarHBondContact O-N 3.08Å; Q803-Y807 PolarHBondContact O-N 2.85Å
804	R	98	Very high	96.3	Very high	97 Å²	97	24.3 Å²	24.3	37%	0.366	13%	0.125	S	C	.	.	H	α-helix	trans	-65.2	-42.2	177.8	-73.1	172.9	68.6	-171	0	112.5	S103 L451 D800 Y807 K808	S103-R804 PolarHBondContact OG-NH1 2.86Å; L451-R804 HydrophobicContact CD1-CG 4.1Å; L451-R804 HydrophobicContact CD2-CG 3.84Å; D800-R804 VanDerWaalsContact O-CB 3.31Å; D800-R804 WeakPolarHBondContact O-CB 3.32Å; D800-R804 VanDerWaalsContact O-CG 3.25Å; D800-R804 WeakPolarHBondContact O-CG 3.35Å; D800-R804 PolarHBondContact O-N 2.96Å; D800-R804 WeakPolarHBondContact OD2-CD 3.2Å; D800-R804 IonicContact OD2-NH1 2.82Å; R804-Y807 PolarHBondContact O-N 3.03Å; R804-K808 WeakPolarHBondContact O-CB 3.45Å; R804-K808 WeakPolarHBondContact O-CG 3.17Å; R804-K808 PolarHBondContact O-N 3.31Å
805	L	98.1	Very high	96.3	Very high	6 Å²	6	23.6 Å²	23.6	3%	0.031	12%	0.118	C	C	.	.	H	α-helix	trans	-59.6	-46.1	172.8	178.3	63.6	0	0	0	111.5	I615 L617 L620 I622 I692 H801 Y807 K808 L809	I615-L805 HydrophobicContact CG2-CD1 3.97Å; L617-L805 HydrophobicContact CD1-CD2 4.27Å; L620-L805 HydrophobicContact CD2-CD1 4.41Å; L620-L805 HydrophobicContact CD2-CD2 4.44Å; I622-L805 HydrophobicContact CD1-CD1 4.37Å; I622-L805 HydrophobicContact CD1-CD2 4.11Å; I692-L805 HydrophobicContact CD1-CD2 3.5Å; I692-L805 VanDerWaalsContact CD1-CD2 3.5Å; H801-L805 WeakPolarHBondContact O-CB 3.46Å; H801-L805 PolarHBondContact O-N 2.76Å; L805-Y807 VanDerWaalsContact C-N 3.28Å; L805-Y807 PolarHBondContact O-N 3.04Å; L805-K808 PolarHBondContact O-N 3.02Å; L805-L809 HydrophobicContact CD1-CD1 4.11Å; L805-L809 HydrophobicContact CD1-CG 4.24Å; L805-L809 HydrophobicContact CG-CD1 4.05Å; L805-L809 WeakPolarHBondContact O-CG 3.37Å; L805-L809 PolarHBondContact O-N 3.46Å
806	T	98.4	Very high	96.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-58.6	-39.8	176.4	-55.7	0	0	0	0	111.9	Y694 F771 I773 Y788 M802 Q803 C810 P823	Y694-T806 HydrophobicContact CE1-CG2 3.91Å; Y694-T806 WeakPolarHBondContact CE1-OG1 3.48Å; Y694-T806 WeakPolarHBondContact OH-CA 3.36Å; Y694-T806 PolarHBondContact OH-N 2.88Å; Y694-T806 PolarHBondContact OH-OG1 3.47Å; F771-T806 HydrophobicContact CE2-CG2 4.34Å; I773-T806 HydrophobicContact CD1-CG2 4.01Å; Y788-T806 HydrophobicContact CD1-CG2 3.72Å; Y788-T806 HydrophobicContact CD2-CG2 4.2Å; Y788-T806 HydrophobicContact CE1-CG2 3.34Å; Y788-T806 HydrophobicContact CE2-CG2 3.86Å; Y788-T806 HydrophobicContact CG-CG2 4.14Å; Y788-T806 VanDerWaalsContact CZ-CG2 3.41Å; M802-T806 WeakPolarHBondContact O-CB 2.98Å; M802-T806 PolarHBondContact O-N 3.43Å; M802-T806 PolarHBondContact O-OG1 2.94Å; Q803-T806 WeakPolarHBondContact O-CB 3.39Å; Q803-T806 PolarHBondContact O-N 3.08Å; T806-C810 PolarHBondContact O-N 2.85Å; T806-C810 PolarHBondContact O-SG 2.87Å; T806-P823 HydrophobicContact CG2-CG 4.18Å
807	Y	98.1	Very high	96.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-71.8	-44.7	176.5	-174.2	-123.4	0	0	0	112.9	L451 G452 E454 G756 I773 Q803 R804 L805 L809 C810 H811 I819	L451-Y807 HydrophobicContact CB-CD1 4.03Å; L451-Y807 HydrophobicContact CB-CE1 4.2Å; L451-Y807 HydrophobicContact CD1-CD1 3.99Å; L451-Y807 HydrophobicContact CD1-CG 4.07Å; G452-Y807 WeakPolarHBondContact O-CE1 3.48Å; E454-Y807 HydrophobicContact CG-CD1 4.48Å; E454-Y807 HydrophobicContact CG-CE1 4.49Å; G756-Y807 VanDerWaalsContact CA-CZ 3.45Å; G756-Y807 PolarHBondContact N-OH 2.85Å; I773-Y807 HydrophobicContact CG2-CD2 4.22Å; Q803-Y807 PolarHBondContact O-N 2.85Å; R804-Y807 PolarHBondContact O-N 3.03Å; L805-Y807 VanDerWaalsContact C-N 3.28Å; L805-Y807 PolarHBondContact O-N 3.04Å; Y807-L809 VanDerWaalsContact C-N 3.3Å; Y807-L809 PolarHBondContact O-N 3.26Å; Y807-C810 VanDerWaalsContact O-CB 3.29Å; Y807-C810 WeakPolarHBondContact O-CB 3.32Å; Y807-C810 PolarHBondContact O-N 3.44Å; Y807-H811 AromaticContact CE1-CE1 3.83Å; Y807-H811 AromaticContact CZ-CE1 3.89Å; Y807-H811 PolarHBondContact O-CE1 3.35Å; Y807-H811 PolarHBondContact O-ND1 2.8Å; Y807-I819 HydrophobicContact CE2-CD1 4.13Å; Y807-I819 HydrophobicContact CE2-CG2 4.31Å; Y807-I819 WeakPolarHBondContact OH-CD1 3.47Å
808	K	97.9	Very high	97	Very high	15 Å²	15	24.9 Å²	24.9	7%	0.065	11%	0.109	C	C	.	.	H	α-helix	trans	-53.2	-46.2	172.8	-77.9	170.5	178.4	-74	0	111.5	E454 V613 E614 I615 R804 L805 C810 H811	E454-K808 VanDerWaalsContact CD-CG 3.47Å; E454-K808 HydrophobicContact CG-CG 4.04Å; E454-K808 WeakPolarHBondContact OE1-CE 3.23Å; E454-K808 WeakPolarHBondContact OE1-CG 3.45Å; E454-K808 IonicContact OE1-NZ 2.77Å; E454-K808 PolarHBondContact OE1-NZ 3.25Å; E454-K808 VanDerWaalsContact OE1-NZ 3.17Å; E454-K808 IonicContact OE2-NZ 3.63Å; E454-K808 PolarHBondContact OE2-NZ 3.36Å; V613-K808 HydrophobicContact CG2-CB 3.95Å; V613-K808 HydrophobicContact CG2-CG 4.28Å; E614-K808 WeakPolarHBondContact O-CD 3.36Å; E614-K808 WeakPolarHBondContact O-CE 3.31Å; E614-K808 PolarHBondContact O-NZ 3.23Å; I615-K808 HydrophobicContact CG1-CB 4.47Å; I615-K808 HydrophobicContact CG1-CD 4.28Å; R804-K808 WeakPolarHBondContact O-CB 3.45Å; R804-K808 WeakPolarHBondContact O-CG 3.17Å; R804-K808 PolarHBondContact O-N 3.31Å; L805-K808 PolarHBondContact O-N 3.02Å; K808-C810 PolarHBondContact O-N 3.36Å; K808-H811 VanDerWaalsContact O-CB 3.3Å; K808-H811 WeakPolarHBondContact O-CB 3.38Å; K808-H811 PolarHBondContact O-N 3.3Å; K808-H811 PolarHBondContact O-ND1 2.88Å
809	L	98.4	Very high	96.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.4	-19.7	178.5	-68	170.2	0	0	0	114.3	I615 I622 Y694 L805 Y807 H811 M812 P823 A824	I615-L809 HydrophobicContact CD1-CD2 4.26Å; I622-L809 HydrophobicContact CD1-CD1 3.97Å; I622-L809 HydrophobicContact CG1-CD1 4.13Å; I622-L809 HydrophobicContact CG1-CD2 4.14Å; I622-L809 HydrophobicContact CG2-CD1 3.76Å; I622-L809 HydrophobicContact CG2-CD2 4.07Å; Y694-L809 HydrophobicContact CD2-CD1 4.24Å; Y694-L809 HydrophobicContact CE2-CD1 3.4Å; Y694-L809 VanDerWaalsContact CE2-CD1 3.4Å; L805-L809 HydrophobicContact CD1-CD1 4.11Å; L805-L809 HydrophobicContact CD1-CG 4.24Å; L805-L809 HydrophobicContact CG-CD1 4.05Å; L805-L809 WeakPolarHBondContact O-CG 3.37Å; L805-L809 PolarHBondContact O-N 3.46Å; Y807-L809 VanDerWaalsContact C-N 3.3Å; Y807-L809 PolarHBondContact O-N 3.26Å; L809-H811 PolarHBondContact O-N 3.45Å; L809-M812 PolarHBondContact O-N 2.95Å; L809-P823 HydrophobicContact CB-CB 3.92Å; L809-A824 VanDerWaalsContact O-CB 3.31Å; L809-A824 WeakPolarHBondContact O-CB 3.25Å; L809-A824 PolarHBondContact O-N 3.18Å
810	C	97.8	Very high	96.9	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.007	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-9.7	170.5	-64.4	0	0	0	0	113.6	T806 Y807 K808 I819 I820	T806-C810 PolarHBondContact O-N 2.85Å; T806-C810 PolarHBondContact O-SG 2.87Å; Y807-C810 VanDerWaalsContact O-CB 3.29Å; Y807-C810 WeakPolarHBondContact O-CB 3.32Å; Y807-C810 PolarHBondContact O-N 3.44Å; K808-C810 PolarHBondContact O-N 3.36Å; C810-I819 HydrophobicContact CB-CG2 3.55Å; C810-I820 WeakPolarHBondContact CB-O 3.38Å; C810-I820 VanDerWaalsContact O-CG1 3.25Å; C810-I820 WeakPolarHBondContact O-CG1 3.49Å; C810-I820 PolarHBondContact O-N 3.47Å
811	H	97.5	Very high	96.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-16.8	177.8	-60.4	69.5	0	0	0	113.5	Y465 W472 W611 V613 Y807 K808 L809 Y813	Y465-H811 AromaticContact CE1-CD2 3.81Å; Y465-H811 AromaticContact CE1-NE2 3.71Å; Y465-H811 AromaticContact CZ-NE2 3.54Å; Y465-H811 PolarHBondContact OH-NE2 3.1Å; W472-H811 HydrophobicContact CH2-CB 3.92Å; W472-H811 AromaticContact CH2-CD2 3.89Å; W472-H811 AromaticContact CZ3-CD2 3.74Å; W611-H811 PolarHBondContact NE1-O 2.87Å; V613-H811 HydrophobicContact CG1-CB 3.84Å; Y807-H811 AromaticContact CE1-CE1 3.83Å; Y807-H811 AromaticContact CZ-CE1 3.89Å; Y807-H811 PolarHBondContact O-CE1 3.35Å; Y807-H811 PolarHBondContact O-ND1 2.8Å; K808-H811 VanDerWaalsContact O-CB 3.3Å; K808-H811 WeakPolarHBondContact O-CB 3.38Å; K808-H811 PolarHBondContact O-N 3.3Å; K808-H811 PolarHBondContact O-ND1 2.88Å; L809-H811 PolarHBondContact O-N 3.45Å; H811-Y813 VanDerWaalsContact C-N 3.31Å; H811-Y813 PolarHBondContact O-N 2.86Å
812	M	97.3	Very high	96.8	Very high	0 Å²	0	17 Å²	17	0%	0	7%	0.071	C	C	.	.			trans	-88.6	20.6	-165.5	-64.6	-59.6	-68.6	0	0	114.8	V613 T648 M649 L809 A824 Y828	V613-M812 HydrophobicContact CG2-CG 4.35Å; V613-M812 HydrophobicContact CG2-SD 3.98Å; T648-M812 WeakPolarHBondContact O-CE 3.38Å; M649-M812 HydrophobicContact CB-CE 4.29Å; M649-M812 WeakPolarHBondContact O-CE 3.41Å; L809-M812 PolarHBondContact O-N 2.95Å; M812-A824 HydrophobicContact CB-CB 3.71Å; M812-A824 WeakPolarHBondContact O-CB 3.41Å; M812-Y828 PolarHBondContact O-OH 3.4Å
813	Y	97.6	Very high	96.8	Very high	15 Å²	15	17 Å²	17	6%	0.059	7%	0.071	C	C	.	.			trans	-102.5	96.7	-175	-177.8	-108.3	0	0	0	113.1	H811 N815 W816 I820 Q827 Y828 K831 L855	H811-Y813 VanDerWaalsContact C-N 3.31Å; H811-Y813 PolarHBondContact O-N 2.86Å; Y813-N815 HydrophobicContact CD1-CB 4.33Å; Y813-N815 HydrophobicContact CE1-CB 3.53Å; Y813-N815 HydrophobicContact CE2-CB 4.38Å; Y813-N815 PolarHBondContact O-N 3.35Å; Y813-N815 WeakPolarHBondContact OH-CB 3.28Å; Y813-W816 HydrophobicContact CD1-CB 3.99Å; Y813-W816 HydrophobicContact CE1-CB 4.39Å; Y813-W816 PolarHBondContact O-N 3.25Å; Y813-W816 VanDerWaalsContact O-O 3.09Å; Y813-I820 VanDerWaalsContact CB-CD1 3.48Å; Y813-I820 HydrophobicContact CD1-CD1 4.16Å; Y813-I820 HydrophobicContact CD1-CG2 3.89Å; Y813-I820 HydrophobicContact CD2-CD1 4.47Å; Y813-I820 HydrophobicContact CG-CD1 3.78Å; Y813-I820 HydrophobicContact CG-CG2 4.48Å; Y813-Q827 HydrophobicContact CD1-CG 4.14Å; Y813-Q827 HydrophobicContact CD2-CB 4.01Å; Y813-Q827 HydrophobicContact CD2-CG 3.71Å; Y813-Q827 HydrophobicContact CE1-CG 3.97Å; Y813-Q827 HydrophobicContact CE2-CB 4.21Å; Y813-Q827 HydrophobicContact CE2-CG 3.56Å; Y813-Q827 HydrophobicContact CG-CB 4.44Å; Y813-Q827 HydrophobicContact CG-CG 4.01Å; Y813-Y828 WeakPolarHBondContact CA-OH 3.34Å; Y813-Y828 AromaticContact CD2-CD1 3.79Å; Y813-Y828 HydrophobicContact CD2-CD1 3.79Å; Y813-Y828 AromaticContact CD2-CE1 3.46Å; Y813-Y828 HydrophobicContact CD2-CE1 3.46Å; Y813-Y828 VanDerWaalsContact CD2-CE1 3.46Å; Y813-Y828 HydrophobicContact CD2-CE2 4.42Å; Y813-Y828 HydrophobicContact CD2-CG 4.38Å; Y813-Y828 AromaticContact CD2-CZ 3.81Å; Y813-Y828 AromaticContact CE2-CD1 3.69Å; Y813-Y828 HydrophobicContact CE2-CD1 3.69Å; Y813-Y828 AromaticContact CE2-CE1 3.62Å; Y813-Y828 HydrophobicContact CE2-CE1 3.62Å; Y813-K831 VanDerWaalsContact OH-CE 3.32Å; Y813-K831 WeakPolarHBondContact OH-CE 3.36Å; Y813-L855 HydrophobicContact CE2-CD2 3.89Å
814	Y	96.4	Very high	96.8	Very high	3 Å²	3	17 Å²	17	1%	0.012	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-15.1	-166.9	-68	-18.5	0	0	0	117.1	C604 L610 W611 S650 W816 Y828 L852	C604-Y814 VanDerWaalsContact SG-CB 3.5Å; L610-Y814 HydrophobicContact CB-CD1 3.92Å; L610-Y814 HydrophobicContact CB-CD2 4.42Å; L610-Y814 HydrophobicContact CB-CE1 4.03Å; L610-Y814 HydrophobicContact CB-CG 4.12Å; L610-Y814 HydrophobicContact CD1-CD1 4.36Å; L610-Y814 HydrophobicContact CD1-CG 3.99Å; L610-Y814 HydrophobicContact CG-CD1 4.18Å; L610-Y814 HydrophobicContact CG-CD2 4Å; L610-Y814 HydrophobicContact CG-CE2 4.44Å; L610-Y814 HydrophobicContact CG-CG 3.85Å; W611-Y814 AromaticContact CD2-CD1 3.97Å; W611-Y814 HydrophobicContact CD2-CD1 3.97Å; W611-Y814 HydrophobicContact CD2-CE1 4.08Å; W611-Y814 AromaticContact CE2-CD1 3.77Å; W611-Y814 HydrophobicContact CE3-CD1 4.29Å; W611-Y814 HydrophobicContact CG-CE1 4.16Å; W611-Y814 HydrophobicContact CH2-CD1 4.23Å; W611-Y814 AromaticContact CZ2-CD1 3.92Å; W611-Y814 HydrophobicContact CZ2-CD1 3.92Å; W611-Y814 HydrophobicContact CZ3-CD1 4.4Å; W611-Y814 WeakPolarHBondContact O-CE1 3.3Å; W611-Y814 PolarHBondContact O-OH 3.14Å; S650-Y814 WeakPolarHBondContact CA-OH 3.37Å; S650-Y814 WeakPolarHBondContact CB-OH 3.42Å; Y814-W816 PolarHBondContact O-N 2.95Å; Y814-Y828 PolarHBondContact N-OH 3.07Å; Y814-L852 HydrophobicContact CD2-CD1 3.97Å
815	N	95.3	Very high	96.8	Very high	50 Å²	50	12.3 Å²	12.3	27%	0.267	5%	0.054	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	5.1	175.3	-143.9	-16.1	0	0	0	113	Q601 Y813 L855	Q601-N815 PolarHBondContact NE2-ND2 2.67Å; Q601-N815 VanDerWaalsContact NE2-ND2 3.13Å; Y813-N815 HydrophobicContact CD1-CB 4.33Å; Y813-N815 HydrophobicContact CE1-CB 3.53Å; Y813-N815 HydrophobicContact CE2-CB 4.38Å; Y813-N815 PolarHBondContact O-N 3.35Å; Y813-N815 WeakPolarHBondContact OH-CB 3.28Å; N815-L855 HydrophobicContact CB-CD2 4.3Å; N815-L855 PolarHBondContact ND2-O 2.75Å
816	W	94.6	Very high	96.8	Very high	80 Å²	80	12 Å²	12	30%	0.303	5%	0.052	S	C	.	.	S	Bend	trans	-147	120.5	177.9	-173.3	-106.8	0	0	0	111.2	A5 W611 Y813 Y814 G818 I820	A5-W816 HydrophobicContact CB-CH2 3.96Å; A5-W816 HydrophobicContact CB-CZ3 4.35Å; W611-W816 WeakPolarHBondContact CH2-O 3.49Å; W611-W816 VanDerWaalsContact CZ2-O 3.29Å; W611-W816 WeakPolarHBondContact CZ2-O 3.11Å; Y813-W816 HydrophobicContact CD1-CB 3.99Å; Y813-W816 HydrophobicContact CE1-CB 4.39Å; Y813-W816 PolarHBondContact O-N 3.25Å; Y813-W816 VanDerWaalsContact O-O 3.09Å; Y814-W816 PolarHBondContact O-N 2.95Å; W816-G818 VanDerWaalsContact CD1-C 3.5Å; W816-G818 PolarHBondContact O-N 3.07Å; W816-I820 HydrophobicContact CB-CG2 4.07Å; W816-I820 HydrophobicContact CG-CG2 4.1Å
817	Q	93.5	Very high	96.7	Very high	10 Å²	10	14.4 Å²	14.4	5%	0.047	6%	0.063	C	C	.	.	S	Bend	trans	-79.9	61	178.2	-65	74.9	21.9	0	0	111	D471 W472 M476 W611	D471-Q817 WeakPolarHBondContact CA-O 3.4Å; W472-Q817 PolarHBondContact N-O 3.33Å; M476-Q817 HydrophobicContact SD-CG 3.49Å; M476-Q817 WeakPolarHBondContact SD-CG 3.27Å; W611-Q817 HydrophobicContact CH2-CG 4.23Å; W611-Q817 HydrophobicContact CZ3-CG 4.19Å
818	G	94.7	Very high	96.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	6%	0.063	C	C	.	.	B	Isolated β-bridge	trans	177.9	177.8	-173.5	0	0	0	0	0	112.3	A470 W472 W816	A470-G818 CarbonylContact O-C 3.54Å; A470-G818 WeakPolarHBondContact O-CA 3.16Å; W472-G818 VanDerWaalsContact CH2-CA 3.47Å; W472-G818 VanDerWaalsContact CH2-O 3.3Å; W472-G818 WeakPolarHBondContact CH2-O 3.28Å; W472-G818 VanDerWaalsContact CZ3-C 3.44Å; W472-G818 VanDerWaalsContact CZ3-CA 3.43Å; W816-G818 VanDerWaalsContact CD1-C 3.5Å; W816-G818 PolarHBondContact O-N 3.07Å
819	I	95.4	Very high	96.7	Very high	4 Å²	4	13.7 Å²	13.7	2%	0.021	6%	0.06	C	C	.	.			trans	-78.8	136.1	179.1	-37.7	173	0	0	0	110	Y465 A470 W472 P755 S775 Y807 C810	Y465-I819 HydrophobicContact CE2-CD1 3.97Å; Y465-I819 HydrophobicContact CE2-CG1 4.32Å; Y465-I819 WeakPolarHBondContact OH-CD1 3.45Å; A470-I819 HydrophobicContact CB-CB 4.03Å; A470-I819 HydrophobicContact CB-CD1 3.59Å; A470-I819 HydrophobicContact CB-CG1 3.7Å; A470-I819 PolarHBondContact O-N 3.07Å; W472-I819 HydrophobicContact CZ3-CG1 3.99Å; P755-I819 HydrophobicContact CB-CD1 4.09Å; S775-I819 WeakPolarHBondContact O-CB 3.48Å; S775-I819 WeakPolarHBondContact O-CG2 3.31Å; Y807-I819 HydrophobicContact CE2-CD1 4.13Å; Y807-I819 HydrophobicContact CE2-CG2 4.31Å; Y807-I819 WeakPolarHBondContact OH-CD1 3.47Å; C810-I819 HydrophobicContact CB-CG2 3.55Å
820	I	95.6	Very high	96.6	Very high	14 Å²	14	15.6 Å²	15.6	7%	0.072	7%	0.069	C	C	.	.			trans	-105.3	168.2	175.5	58.9	152.4	0	0	0	112.9	S775 C810 Y813 W816 V822 Q827	S775-I820 WeakPolarHBondContact CB-O 3.09Å; S775-I820 PolarHBondContact OG-O 3.38Å; C810-I820 WeakPolarHBondContact CB-O 3.38Å; C810-I820 VanDerWaalsContact O-CG1 3.25Å; C810-I820 WeakPolarHBondContact O-CG1 3.49Å; C810-I820 PolarHBondContact O-N 3.47Å; Y813-I820 VanDerWaalsContact CB-CD1 3.48Å; Y813-I820 HydrophobicContact CD1-CD1 4.16Å; Y813-I820 HydrophobicContact CD1-CG2 3.89Å; Y813-I820 HydrophobicContact CD2-CD1 4.47Å; Y813-I820 HydrophobicContact CG-CD1 3.78Å; Y813-I820 HydrophobicContact CG-CG2 4.48Å; W816-I820 HydrophobicContact CB-CG2 4.07Å; W816-I820 HydrophobicContact CG-CG2 4.1Å; I820-V822 WeakPolarHBondContact CD1-O 3.42Å; I820-V822 VanDerWaalsContact CG1-O 3.28Å; I820-V822 WeakPolarHBondContact CG1-O 3.34Å; I820-V822 PolarHBondContact O-N 3.47Å; I820-Q827 HydrophobicContact CD1-CB 3.53Å; I820-Q827 HydrophobicContact CD1-CG 3.74Å
821	R	95.1	Very high	96.6	Very high	56 Å²	56	18.4 Å²	18.4	21%	0.211	8%	0.081	C	C	.	.	S	Bend	trans	-72.7	-20.5	-170.9	-170.4	155.1	175.4	-106.6	-12.2	116.1	K736 S775 Q776 S784 P785 T786	K736-R821 VanDerWaalsContact O-CZ 3.27Å; K736-R821 PolarHBondContact O-NH1 3.05Å; K736-R821 PolarHBondContact O-NH2 3.34Å; S775-R821 VanDerWaalsContact OG-CA 3.31Å; S775-R821 WeakPolarHBondContact OG-CA 3.43Å; S775-R821 PolarHBondContact OG-O 3.18Å; Q776-R821 HydrophobicContact CG-CB 3.87Å; Q776-R821 HydrophobicContact CG-CG 4.15Å; S784-R821 PolarHBondContact O-NE 3.29Å; S784-R821 PolarHBondContact O-NH2 3.43Å; P785-R821 PolarHBondContact O-NH2 3.45Å; T786-R821 WeakPolarHBondContact CB-O 3.16Å; T786-R821 VanDerWaalsContact OG1-CG 3.28Å; T786-R821 WeakPolarHBondContact OG1-CG 3.34Å; T786-R821 PolarHBondContact OG1-O 3.2Å
822	V	97.1	Very high	96.6	Very high	5 Å²	5	18.5 Å²	18.5	3%	0.03	8%	0.082	C	C	.	.	S	Bend	trans	-136.4	162.1	-177.4	-61.2	0	0	0	0	108.1	V734 K736 T786 I820 A824 C826 Q827	V734-V822 HydrophobicContact CG1-CB 4.24Å; V734-V822 HydrophobicContact CG1-CG1 3.89Å; K736-V822 HydrophobicContact CB-CG1 4.22Å; T786-V822 HydrophobicContact CG2-CG1 4.18Å; I820-V822 WeakPolarHBondContact CD1-O 3.42Å; I820-V822 VanDerWaalsContact CG1-O 3.28Å; I820-V822 WeakPolarHBondContact CG1-O 3.34Å; I820-V822 PolarHBondContact O-N 3.47Å; V822-A824 PolarHBondContact O-N 2.87Å; V822-C826 HydrophobicContact CB-CB 4.45Å; V822-C826 HydrophobicContact CG2-CB 4.15Å; V822-Q827 HydrophobicContact CG2-CB 4.04Å
823	P	98.3	Very high	96.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	8%	0.082	C	C	.	.			trans	-51.3	136.7	172.1	-30.1	38.5	0	0	0	111.8	Y694 Y788 T806 L809 P825 C826 Q827	Y694-P823 HydrophobicContact CD1-CG 3.76Å; Y694-P823 HydrophobicContact CE1-CG 3.94Å; Y694-P823 HydrophobicContact CG-CB 4.39Å; Y694-P823 HydrophobicContact CG-CG 4.09Å; Y788-P823 HydrophobicContact CE1-CG 4.16Å; T806-P823 HydrophobicContact CG2-CG 4.18Å; L809-P823 HydrophobicContact CB-CB 3.92Å; P823-P825 VanDerWaalsContact C-N 3.31Å; P823-P825 HydrophobicContact CB-CG 3.84Å; P823-C826 WeakPolarHBondContact O-CB 3.42Å; P823-C826 PolarHBondContact O-N 3.25Å; P823-Q827 PolarHBondContact O-N 3.47Å
824	A	98.1	Very high	96.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-42.4	-46.5	172.9	0	0	0	0	0	114.8	L809 M812 V822 C826 Q827 Y828	L809-A824 VanDerWaalsContact O-CB 3.31Å; L809-A824 WeakPolarHBondContact O-CB 3.25Å; L809-A824 PolarHBondContact O-N 3.18Å; M812-A824 HydrophobicContact CB-CB 3.71Å; M812-A824 WeakPolarHBondContact O-CB 3.41Å; V822-A824 PolarHBondContact O-N 2.87Å; A824-C826 VanDerWaalsContact C-N 3.34Å; A824-C826 PolarHBondContact O-N 3.42Å; A824-Q827 CarbonylContact O-C 3.59Å; A824-Q827 WeakPolarHBondContact O-CA 2.97Å; A824-Q827 PolarHBondContact O-N 2.94Å; A824-Y828 HydrophobicContact CB-CD2 4.23Å; A824-Y828 HydrophobicContact CB-CE2 3.82Å; A824-Y828 WeakPolarHBondContact O-CD2 3.08Å; A824-Y828 PolarHBondContact O-N 3.49Å
825	P	97.7	Very high	96.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-57.3	-39.4	177.2	26.4	-41.3	0	0	0	113.8	I622 W652 P823 Y828 G829	I622-P825 HydrophobicContact CG2-CB 4.2Å; I622-P825 HydrophobicContact CG2-CG 3.66Å; W652-P825 HydrophobicContact CH2-CB 4.07Å; W652-P825 HydrophobicContact CH2-CG 4.39Å; W652-P825 HydrophobicContact CZ3-CB 3.78Å; P823-P825 VanDerWaalsContact C-N 3.31Å; P823-P825 HydrophobicContact CB-CG 3.84Å; P825-Y828 PolarHBondContact O-N 3.49Å; P825-G829 PolarHBondContact O-N 2.82Å
826	C	97.5	Very high	96.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-66.5	-39.6	173.4	-56	0	0	0	0	111.7	Y694 D696 V822 P823 A824 Y828 G829 H830	Y694-C826 WeakPolarHBondContact CB-SG 3.47Å; Y694-C826 PolarHBondContact O-SG 2.76Å; D696-C826 HydrophobicContact CB-CB 4.23Å; V822-C826 HydrophobicContact CB-CB 4.45Å; V822-C826 HydrophobicContact CG2-CB 4.15Å; P823-C826 WeakPolarHBondContact O-CB 3.42Å; P823-C826 PolarHBondContact O-N 3.25Å; A824-C826 VanDerWaalsContact C-N 3.34Å; A824-C826 PolarHBondContact O-N 3.42Å; C826-Y828 VanDerWaalsContact C-N 3.34Å; C826-G829 PolarHBondContact O-N 3.27Å; C826-H830 WeakPolarHBondContact O-CB 3.47Å; C826-H830 PolarHBondContact O-N 3.21Å
827	Q	97.8	Very high	96.1	Very high	50 Å²	50	16.5 Å²	16.5	23%	0.234	7%	0.074	C	C	.	.	H	α-helix	trans	-71.5	-28.8	179.3	-172.9	55.1	83.1	0	0	112.5	Y813 I820 V822 P823 A824 K831	Y813-Q827 HydrophobicContact CD1-CG 4.14Å; Y813-Q827 HydrophobicContact CD2-CB 4.01Å; Y813-Q827 HydrophobicContact CD2-CG 3.71Å; Y813-Q827 HydrophobicContact CE1-CG 3.97Å; Y813-Q827 HydrophobicContact CE2-CB 4.21Å; Y813-Q827 HydrophobicContact CE2-CG 3.56Å; Y813-Q827 HydrophobicContact CG-CB 4.44Å; Y813-Q827 HydrophobicContact CG-CG 4.01Å; I820-Q827 HydrophobicContact CD1-CB 3.53Å; I820-Q827 HydrophobicContact CD1-CG 3.74Å; V822-Q827 HydrophobicContact CG2-CB 4.04Å; P823-Q827 PolarHBondContact O-N 3.47Å; A824-Q827 CarbonylContact O-C 3.59Å; A824-Q827 WeakPolarHBondContact O-CA 2.97Å; A824-Q827 PolarHBondContact O-N 2.94Å; Q827-K831 WeakPolarHBondContact O-CG 3.37Å; Q827-K831 PolarHBondContact O-N 2.93Å
828	Y	98.4	Very high	95.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-70.6	-49.9	168.8	-68.9	-50.7	0	0	0	111.3	W652 M812 Y813 Y814 A824 P825 C826 H830 K831 L832 L852 Y854 L855	W652-Y828 HydrophobicContact CD2-CD2 4.17Å; W652-Y828 HydrophobicContact CD2-CE2 4.16Å; W652-Y828 AromaticContact CE2-CE2 3.62Å; W652-Y828 HydrophobicContact CG-CE2 4.46Å; W652-Y828 HydrophobicContact CZ2-CD2 4.34Å; W652-Y828 AromaticContact CZ2-CE2 3.91Å; W652-Y828 HydrophobicContact CZ2-CE2 3.91Å; W652-Y828 AromaticContact NE1-CE2 3.64Å; M812-Y828 PolarHBondContact O-OH 3.4Å; Y813-Y828 WeakPolarHBondContact CA-OH 3.34Å; Y813-Y828 AromaticContact CD2-CD1 3.79Å; Y813-Y828 HydrophobicContact CD2-CD1 3.79Å; Y813-Y828 AromaticContact CD2-CE1 3.46Å; Y813-Y828 HydrophobicContact CD2-CE1 3.46Å; Y813-Y828 VanDerWaalsContact CD2-CE1 3.46Å; Y813-Y828 HydrophobicContact CD2-CE2 4.42Å; Y813-Y828 HydrophobicContact CD2-CG 4.38Å; Y813-Y828 AromaticContact CD2-CZ 3.81Å; Y813-Y828 AromaticContact CE2-CD1 3.69Å; Y813-Y828 HydrophobicContact CE2-CD1 3.69Å; Y813-Y828 AromaticContact CE2-CE1 3.62Å; Y813-Y828 HydrophobicContact CE2-CE1 3.62Å; Y814-Y828 PolarHBondContact N-OH 3.07Å; A824-Y828 HydrophobicContact CB-CD2 4.23Å; A824-Y828 HydrophobicContact CB-CE2 3.82Å; A824-Y828 WeakPolarHBondContact O-CD2 3.08Å; A824-Y828 PolarHBondContact O-N 3.49Å; P825-Y828 PolarHBondContact O-N 3.49Å; C826-Y828 VanDerWaalsContact C-N 3.34Å; Y828-H830 VanDerWaalsContact C-N 3.32Å; Y828-H830 PolarHBondContact O-N 3.34Å; Y828-K831 WeakPolarHBondContact O-CA 3.44Å; Y828-K831 WeakPolarHBondContact O-CB 3.5Å; Y828-K831 PolarHBondContact O-N 3.2Å; Y828-L832 PolarHBondContact O-N 3.13Å; Y828-L852 HydrophobicContact CD1-CD2 3.92Å; Y828-L852 HydrophobicContact CE1-CD1 3.89Å; Y828-L852 HydrophobicContact CE1-CD2 4.02Å; Y828-L852 HydrophobicContact CG-CD2 4.23Å; Y828-Y854 HydrophobicContact CD1-CE2 4.27Å; Y828-Y854 VanDerWaalsContact O-CE2 3.29Å; Y828-Y854 WeakPolarHBondContact O-CE2 3.33Å; Y828-L855 HydrophobicContact CD1-CD2 3.93Å; Y828-L855 HydrophobicContact CE1-CD1 4.33Å; Y828-L855 HydrophobicContact CE1-CD2 3.95Å
829	G	97.2	Very high	95.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-54.5	-46.4	174.3	0	0	0	0	0	112.3	A640 P825 C826 K831 L832 A833	A640-G829 WeakPolarHBondContact CB-O 3.44Å; P825-G829 PolarHBondContact O-N 2.82Å; C826-G829 PolarHBondContact O-N 3.27Å; G829-K831 VanDerWaalsContact C-N 3.28Å; G829-K831 PolarHBondContact O-N 3.28Å; G829-L832 PolarHBondContact O-N 3.05Å; G829-A833 WeakPolarHBondContact O-CB 3.4Å; G829-A833 PolarHBondContact O-N 3.09Å
830	H	96	Very high	95.6	Very high	40 Å²	40	18.2 Å²	18.2	19%	0.185	8%	0.083	C	C	.	.	H	α-helix	trans	-55.9	-41	174.3	-174.9	64.7	0	0	0	112.9	D626 C826 Y828 F834	D626-H830 HydrophobicContact CB-CB 4.36Å; D626-H830 VanDerWaalsContact OD2-CA 3.27Å; D626-H830 WeakPolarHBondContact OD2-CA 2.96Å; D626-H830 VanDerWaalsContact OD2-CB 3.26Å; D626-H830 WeakPolarHBondContact OD2-CB 3.47Å; D626-H830 IonicContact OD2-CE1 3.94Å; D626-H830 IonicContact OD2-CG 3.92Å; D626-H830 IonicContact OD2-ND1 3.48Å; D626-H830 PolarHBondContact OD2-ND1 3.2Å; C826-H830 WeakPolarHBondContact O-CB 3.47Å; C826-H830 PolarHBondContact O-N 3.21Å; Y828-H830 VanDerWaalsContact C-N 3.32Å; Y828-H830 PolarHBondContact O-N 3.34Å; H830-F834 WeakPolarHBondContact O-CB 3.38Å; H830-F834 PolarHBondContact O-N 2.96Å
831	K	97.2	Very high	95.4	Very high	59 Å²	59	20.3 Å²	20.3	26%	0.257	9%	0.092	S	C	.	.	H	α-helix	trans	-69	-42.9	179.5	-84.4	-77	-161	145.8	0	112.1	Y813 Q827 Y828 G829 L835 Y854 L855	Y813-K831 VanDerWaalsContact OH-CE 3.32Å; Y813-K831 WeakPolarHBondContact OH-CE 3.36Å; Q827-K831 WeakPolarHBondContact O-CG 3.37Å; Q827-K831 PolarHBondContact O-N 2.93Å; Y828-K831 WeakPolarHBondContact O-CA 3.44Å; Y828-K831 WeakPolarHBondContact O-CB 3.5Å; Y828-K831 PolarHBondContact O-N 3.2Å; G829-K831 VanDerWaalsContact C-N 3.28Å; G829-K831 PolarHBondContact O-N 3.28Å; K831-L835 WeakPolarHBondContact O-CB 3.33Å; K831-L835 PolarHBondContact O-N 3.18Å; K831-Y854 HydrophobicContact CB-CD2 3.77Å; K831-Y854 HydrophobicContact CB-CE2 4.24Å; K831-L855 HydrophobicContact CG-CD2 4.48Å; K831-L855 PolarHBondContact NZ-O 2.94Å
832	L	97.6	Very high	95.2	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.016	11%	0.109	C	C	.	.	H	α-helix	trans	-64.4	-52.1	175.7	176.9	55.2	0	0	0	111.3	A640 C656 Y828 G829 F834 L835 V836 F853 Y854	A640-L832 HydrophobicContact CB-CB 4.08Å; A640-L832 HydrophobicContact CB-CD2 4.11Å; A640-L832 HydrophobicContact CB-CG 4.03Å; C656-L832 HydrophobicContact CB-CD2 4.46Å; C656-L832 HydrophobicContact CB-CG 4.38Å; Y828-L832 PolarHBondContact O-N 3.13Å; G829-L832 PolarHBondContact O-N 3.05Å; L832-F834 VanDerWaalsContact C-N 3.31Å; L832-F834 PolarHBondContact O-N 2.75Å; L832-L835 PolarHBondContact O-N 2.86Å; L832-V836 HydrophobicContact CD1-CG2 3.92Å; L832-V836 WeakPolarHBondContact O-CG2 3.46Å; L832-V836 PolarHBondContact O-N 3.18Å; L832-F853 HydrophobicContact CD1-CE1 4.36Å; L832-F853 HydrophobicContact CD1-CE2 4.45Å; L832-F853 HydrophobicContact CD1-CZ 3.74Å; L832-Y854 HydrophobicContact CB-CD1 4.05Å; L832-Y854 HydrophobicContact CB-CD2 3.94Å; L832-Y854 HydrophobicContact CB-CE1 4.29Å; L832-Y854 HydrophobicContact CB-CE2 4.15Å; L832-Y854 HydrophobicContact CB-CG 3.86Å; L832-Y854 HydrophobicContact CD1-CD1 3.9Å; L832-Y854 HydrophobicContact CD1-CG 4.14Å; L832-Y854 HydrophobicContact CD2-CD1 4.47Å; L832-Y854 HydrophobicContact CD2-CE1 4.36Å; L832-Y854 HydrophobicContact CG-CD1 4.36Å
833	A	95.3	Very high	94.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.9	-41.1	178.3	0	0	0	0	0	112	I638 A640 G829 G837	I638-A833 HydrophobicContact CG2-CB 4.44Å; A640-A833 HydrophobicContact CB-CB 3.79Å; G829-A833 WeakPolarHBondContact O-CB 3.4Å; G829-A833 PolarHBondContact O-N 3.09Å; A833-G837 WeakPolarHBondContact O-CA 3.47Å; A833-G837 PolarHBondContact O-N 2.85Å
834	F	94.3	Very high	94.8	Very high	97 Å²	97	28.9 Å²	28.9	43%	0.425	13%	0.134	S	C	.	.	H	α-helix	trans	-65.7	-46.7	175.3	-177.8	-89	0	0	0	112.5	Y628 H830 L832 G837 Q838	Y628-F834 HydrophobicContact CD2-CB 4.41Å; Y628-F834 AromaticContact CD2-CD2 3.99Å; Y628-F834 HydrophobicContact CD2-CD2 3.99Å; Y628-F834 AromaticContact CE2-CD2 3.65Å; Y628-F834 HydrophobicContact CE2-CD2 3.65Å; Y628-F834 HydrophobicContact CE2-CE2 4.17Å; H830-F834 WeakPolarHBondContact O-CB 3.38Å; H830-F834 PolarHBondContact O-N 2.96Å; L832-F834 VanDerWaalsContact C-N 3.31Å; L832-F834 PolarHBondContact O-N 2.75Å; F834-G837 PolarHBondContact O-N 2.77Å; F834-Q838 HydrophobicContact CD2-CG 4.35Å; F834-Q838 HydrophobicContact CE1-CB 4.4Å; F834-Q838 HydrophobicContact CE1-CG 4.35Å; F834-Q838 HydrophobicContact CE2-CG 3.92Å; F834-Q838 HydrophobicContact CZ-CB 4.43Å; F834-Q838 HydrophobicContact CZ-CG 3.92Å; F834-Q838 WeakPolarHBondContact O-CB 3.08Å; F834-Q838 PolarHBondContact O-N 3.12Å
835	L	95.3	Very high	94.8	Very high	6 Å²	6	31.2 Å²	31.2	3%	0.031	15%	0.146	C	C	.	.	H	α-helix	trans	-61.9	-46.8	179.8	176.1	62.5	0	0	0	111.4	Y562 K566 K831 L832 S839 I840 F853	Y562-L835 HydrophobicContact CE1-CD1 4.09Å; K566-L835 HydrophobicContact CB-CD1 4.42Å; K566-L835 HydrophobicContact CD-CD1 4.41Å; K566-L835 HydrophobicContact CG-CD1 4.18Å; K831-L835 WeakPolarHBondContact O-CB 3.33Å; K831-L835 PolarHBondContact O-N 3.18Å; L832-L835 PolarHBondContact O-N 2.86Å; L835-S839 WeakPolarHBondContact O-CA 3.24Å; L835-S839 WeakPolarHBondContact O-CB 3.13Å; L835-S839 PolarHBondContact O-N 3.34Å; L835-I840 HydrophobicContact CD2-CD1 4.15Å; L835-I840 HydrophobicContact CG-CD1 3.93Å; L835-I840 HydrophobicContact CG-CG1 4.37Å; L835-I840 PolarHBondContact O-N 2.97Å; L835-F853 HydrophobicContact CD2-CE2 4.43Å
836	V	95	Very high	94.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.175	C	C	.	.	I	π-helix	trans	-65.8	-44.8	177.7	175	0	0	0	0	110.5	I638 L658 L832 Q838 I840 H841 K842 P844	I638-V836 HydrophobicContact CD1-CG1 3.89Å; I638-V836 HydrophobicContact CG1-CG1 4.13Å; I638-V836 HydrophobicContact CG2-CB 4.06Å; I638-V836 HydrophobicContact CG2-CG1 3.87Å; L658-V836 HydrophobicContact CD2-CG1 4.38Å; L832-V836 HydrophobicContact CD1-CG2 3.92Å; L832-V836 WeakPolarHBondContact O-CG2 3.46Å; L832-V836 PolarHBondContact O-N 3.18Å; V836-Q838 PolarHBondContact O-N 3.45Å; V836-I840 HydrophobicContact CG2-CD1 4.15Å; V836-I840 PolarHBondContact O-N 3.03Å; V836-H841 PolarHBondContact O-N 3.04Å; V836-H841 PolarHBondContact O-ND1 3.13Å; V836-K842 WeakPolarHBondContact CG1-O 3.04Å; V836-P844 HydrophobicContact CG2-CG 3.67Å
837	G	91.4	Very high	94.5	Very high	3 Å²	3	42.8 Å²	42.8	3%	0.031	21%	0.205	C	C	.	.	I	π-helix	trans	-69	-30.9	-177.1	0	0	0	0	0	114.7	I638 A833 F834 H841	I638-G837 VanDerWaalsContact CG1-CA 3.48Å; A833-G837 WeakPolarHBondContact O-CA 3.47Å; A833-G837 PolarHBondContact O-N 2.85Å; F834-G837 PolarHBondContact O-N 2.77Å; G837-H841 PolarHBondContact O-CE1 2.83Å; G837-H841 PolarHBondContact O-ND1 3.41Å
838	Q	88.8	Confident	94.4	Very high	38 Å²	38	40.5 Å²	40.5	18%	0.178	19%	0.194	C	C	.	.	I	π-helix	trans	-97.1	-30.1	178	-81.7	-63.6	-52.4	0	0	114.8	K559 Y628 D630 F834 V836 H841	K559-Q838 PolarHBondContact NZ-O 3.29Å; Y628-Q838 HydrophobicContact CE1-CG 4.27Å; Y628-Q838 PolarHBondContact OH-NE2 2.92Å; D630-Q838 PolarHBondContact OD2-NE2 3.17Å; F834-Q838 HydrophobicContact CD2-CG 4.35Å; F834-Q838 HydrophobicContact CE1-CB 4.4Å; F834-Q838 HydrophobicContact CE1-CG 4.35Å; F834-Q838 HydrophobicContact CE2-CG 3.92Å; F834-Q838 HydrophobicContact CZ-CB 4.43Å; F834-Q838 HydrophobicContact CZ-CG 3.92Å; F834-Q838 WeakPolarHBondContact O-CB 3.08Å; F834-Q838 PolarHBondContact O-N 3.12Å; V836-Q838 PolarHBondContact O-N 3.45Å; Q838-H841 PolarHBondContact O-CE1 3.23Å; Q838-H841 VanDerWaalsContact O-CE1 3.23Å
839	S	91.3	Very high	94.3	Very high	6 Å²	6	41.4 Å²	41.4	4%	0.042	20%	0.199	C	C	.	.	I	π-helix	trans	-123.8	-40.1	-169.2	-66.1	0	0	0	0	115.4	D563 K567 L835	D563-S839 WeakPolarHBondContact OD1-CA 3.29Å; D563-S839 WeakPolarHBondContact OD1-CB 3.45Å; D563-S839 PolarHBondContact OD1-OG 3.3Å; K567-S839 WeakPolarHBondContact CE-O 3.37Å; L835-S839 WeakPolarHBondContact O-CA 3.24Å; L835-S839 WeakPolarHBondContact O-CB 3.13Å; L835-S839 PolarHBondContact O-N 3.34Å
840	I	93	Very high	94.1	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.026	21%	0.214	C	C	.	.	I	π-helix	trans	-92.9	-43.9	-170.4	-51.4	174.8	0	0	0	112.1	K566 C570 L571 L835 V836 K842 P844	K566-I840 HydrophobicContact CB-CG1 4.44Å; C570-I840 HydrophobicContact CB-CD1 3.75Å; L571-I840 HydrophobicContact CD1-CG2 3.83Å; L571-I840 HydrophobicContact CD2-CG2 3.77Å; L571-I840 HydrophobicContact CG-CG2 3.81Å; L835-I840 HydrophobicContact CD2-CD1 4.15Å; L835-I840 HydrophobicContact CG-CD1 3.93Å; L835-I840 HydrophobicContact CG-CG1 4.37Å; L835-I840 PolarHBondContact O-N 2.97Å; V836-I840 HydrophobicContact CG2-CD1 4.15Å; V836-I840 PolarHBondContact O-N 3.03Å; I840-K842 PolarHBondContact O-N 2.83Å; I840-P844 HydrophobicContact CD1-CG 4.21Å
841	H	90.6	Very high	94	Very high	58 Å²	58	46.5 Å²	46.5	27%	0.269	22%	0.221	S	C	.	.			trans	60.8	2.7	179.1	-52.4	-23.7	0	0	0	116.9	K635 R636 V836 G837 Q838	K635-H841 PolarHBondContact NZ-CE1 2.79Å; K635-H841 VanDerWaalsContact NZ-CE1 3.33Å; K635-H841 PolarHBondContact NZ-NE2 3.47Å; R636-H841 PolarHBondContact NH2-O 3.39Å; V836-H841 PolarHBondContact O-N 3.04Å; V836-H841 PolarHBondContact O-ND1 3.13Å; G837-H841 PolarHBondContact O-CE1 2.83Å; G837-H841 PolarHBondContact O-ND1 3.41Å; Q838-H841 PolarHBondContact O-CE1 3.23Å; Q838-H841 VanDerWaalsContact O-CE1 3.23Å
842	K	91.6	Very high	94	Very high	128 Å²	128	44 Å²	44	56%	0.557	21%	0.211	S	C	*	.	S	Bend	trans	-126	163.8	169.3	-66.8	-177.1	-179.8	-179.7	0	109.3	L571 V836 I840	L571-K842 HydrophobicContact CD1-CB 4.22Å; L571-K842 HydrophobicContact CD1-CD 3.99Å; L571-K842 HydrophobicContact CD2-CB 3.8Å; V836-K842 WeakPolarHBondContact CG1-O 3.04Å; I840-K842 PolarHBondContact O-N 2.83Å
843	Q	92	Very high	93.9	Very high	98 Å²	98	44.1 Å²	44.1	46%	0.458	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-64.9	132	170.6	-68.3	179.3	-24.3	0	0	110	L571 C656 L658	L571-Q843 WeakPolarHBondContact CD2-O 3.41Å; C656-Q843 PolarHBondContact O-NE2 2.7Å; L658-Q843 HydrophobicContact CD1-CG 3.94Å; L658-Q843 HydrophobicContact CD2-CG 4.28Å; L658-Q843 HydrophobicContact CG-CG 3.76Å
844	P	95.8	Very high	94	Very high	15 Å²	15	44.4 Å²	44.4	10%	0.097	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-60	156.1	169.7	-25.7	37.5	0	0	0	112.8	C570 C656 V836 I840 F853	C570-P844 HydrophobicContact CB-CB 4.48Å; C570-P844 CarbonylContact O-C 3.6Å; C570-P844 VanDerWaalsContact O-CA 3.27Å; C570-P844 WeakPolarHBondContact O-CA 3.39Å; C656-P844 WeakPolarHBondContact SG-CD 3.33Å; V836-P844 HydrophobicContact CG2-CG 3.67Å; I840-P844 HydrophobicContact CD1-CG 4.21Å; P844-F853 HydrophobicContact CB-CE2 4.2Å; P844-F853 HydrophobicContact CB-CZ 3.76Å; P844-F853 HydrophobicContact CG-CE2 4.22Å; P844-F853 HydrophobicContact CG-CZ 3.84Å
845	N	96.4	Very high	94.1	Very high	50 Å²	50	40.5 Å²	40.5	27%	0.267	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-65.4	139	178.6	-167.5	-56.9	0	0	0	111.6	C570 L571 P574 K847 L848	C570-N845 PolarHBondContact O-N 3.37Å; L571-N845 PolarHBondContact O-ND2 3.17Å; P574-N845 HydrophobicContact CB-CB 3.77Å; P574-N845 HydrophobicContact CG-CB 4.3Å; N845-K847 PolarHBondContact O-N 3.2Å; N845-K847 VanDerWaalsContact O-N 3.09Å; N845-K847 PolarHBondContact OD1-N 3.01Å; N845-L848 WeakPolarHBondContact O-CB 3.44Å; N845-L848 PolarHBondContact O-N 2.91Å
846	V	95.1	Very high	94	Very high	98 Å²	98	42.3 Å²	42.3	59%	0.594	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-60.8	-23.6	-173.9	-48.7	0	0	0	0	114.1	L848 D849	V846-L848 PolarHBondContact O-N 2.89Å; V846-D849 WeakPolarHBondContact O-CB 3.19Å; V846-D849 PolarHBondContact O-N 3.13Å; V846-D849 VanDerWaalsContact O-N 3.12Å
847	K	94.7	Very high	94	Very high	145 Å²	145	44.5 Å²	44.5	63%	0.63	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-63.3	-6.7	173.6	-67.3	-170.6	177.8	-174.6	0	114	P574 N845	P574-K847 HydrophobicContact CB-CB 4.22Å; P574-K847 HydrophobicContact CG-CB 4.09Å; P574-K847 HydrophobicContact CG-CD 3.96Å; P574-K847 HydrophobicContact CG-CG 4.47Å; N845-K847 PolarHBondContact O-N 3.2Å; N845-K847 VanDerWaalsContact O-N 3.09Å; N845-K847 PolarHBondContact OD1-N 3.01Å
848	L	95.6	Very high	94.1	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-108.7	-2.7	177.6	-60.6	177.3	0	0	0	113.8	C570 P574 N845 V846 D850 Y851 F853	C570-L848 HydrophobicContact CB-CD1 4.12Å; P574-L848 HydrophobicContact CB-CD1 4.15Å; P574-L848 HydrophobicContact CB-CD2 4.36Å; P574-L848 HydrophobicContact CB-CG 3.98Å; N845-L848 WeakPolarHBondContact O-CB 3.44Å; N845-L848 PolarHBondContact O-N 2.91Å; V846-L848 PolarHBondContact O-N 2.89Å; L848-D850 VanDerWaalsContact C-N 3.32Å; L848-D850 PolarHBondContact O-N 3.38Å; L848-Y851 HydrophobicContact CD2-CD2 4.15Å; L848-Y851 PolarHBondContact O-N 3.42Å; L848-F853 HydrophobicContact CB-CD1 3.63Å; L848-F853 HydrophobicContact CB-CE1 3.75Å; L848-F853 HydrophobicContact CB-CG 4.1Å; L848-F853 HydrophobicContact CB-CZ 4.32Å; L848-F853 HydrophobicContact CD1-CD2 4.15Å; L848-F853 HydrophobicContact CD1-CE2 4.35Å; L848-F853 HydrophobicContact CD1-CG 4.27Å; L848-F853 WeakPolarHBondContact O-CD1 3.39Å; L848-F853 WeakPolarHBondContact O-CE1 3.4Å
849	D	95.6	Very high	94.4	Very high	19 Å²	19	47.3 Å²	47.3	10%	0.102	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-44.5	-176	-73.4	0.9	0	0	0	111.8	Y653 S654 K655 V846 Y851	Y653-D849 CarbonylContact C-O 3.59Å; Y653-D849 HydrophobicContact CD2-CB 4.04Å; Y653-D849 HydrophobicContact CE2-CB 3.66Å; Y653-D849 PolarHBondContact OH-OD2 2.82Å; S654-D849 PolarHBondContact N-O 2.77Å; S654-D849 WeakPolarHBondContact O-CA 3.17Å; S654-D849 WeakPolarHBondContact O-CB 3.28Å; S654-D849 PolarHBondContact OG-O 2.64Å; K655-D849 WeakPolarHBondContact CD-OD1 3.3Å; K655-D849 WeakPolarHBondContact CD-OD2 3.47Å; K655-D849 WeakPolarHBondContact CE-OD2 3.36Å; K655-D849 IonicContact NZ-OD1 3.66Å; K655-D849 PolarHBondContact NZ-OD1 3.33Å; K655-D849 IonicContact NZ-OD2 3.49Å; K655-D849 PolarHBondContact NZ-OD2 3.29Å; V846-D849 WeakPolarHBondContact O-CB 3.19Å; V846-D849 PolarHBondContact O-N 3.13Å; V846-D849 VanDerWaalsContact O-N 3.12Å; D849-Y851 PolarHBondContact O-N 2.69Å
850	D	92.8	Very high	94.6	Very high	61 Å²	61	49.9 Å²	49.9	33%	0.326	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	3.3	-178	-72.9	-29.1	0	0	0	115	W652 K682 L848	W652-D850 CarbonylContact O-C 3.46Å; K682-D850 IonicContact NZ-OD2 3.16Å; L848-D850 VanDerWaalsContact C-N 3.32Å; L848-D850 PolarHBondContact O-N 3.38Å
851	Y	94.3	Very high	94.7	Very high	85 Å²	85	52.9 Å²	52.9	33%	0.333	25%	0.254	S	S	.	.	S	Bend	trans	-120.2	147.5	-173.6	-61	-49.2	0	0	0	113.9	M606 L848 D849 F853 Y854	M606-Y851 VanDerWaalsContact C-CD1 3.45Å; M606-Y851 VanDerWaalsContact O-CE1 3.24Å; M606-Y851 WeakPolarHBondContact O-CE1 3.39Å; L848-Y851 HydrophobicContact CD2-CD2 4.15Å; L848-Y851 PolarHBondContact O-N 3.42Å; D849-Y851 PolarHBondContact O-N 2.69Å; Y851-F853 VanDerWaalsContact O-CD1 3.3Å; Y851-F853 WeakPolarHBondContact O-CD1 3.39Å; Y851-F853 PolarHBondContact O-N 2.91Å; Y851-Y854 WeakPolarHBondContact O-CE1 3.37Å
852	L	96.9	Very high	95	Very high	8 Å²	8	52.5 Å²	52.5	4%	0.042	25%	0.253	C	S	.	.			trans	-78.1	39.3	168.9	-59.3	178.5	0	0	0	112.3	C604 K605 W652 Y814 Y828 Y854 L855	C604-L852 HydrophobicContact CB-CB 4.37Å; C604-L852 HydrophobicContact CB-CD1 4.27Å; K605-L852 WeakPolarHBondContact CG-O 3.38Å; W652-L852 HydrophobicContact CB-CD2 3.82Å; W652-L852 HydrophobicContact CG-CD2 4.04Å; Y814-L852 HydrophobicContact CD2-CD1 3.97Å; Y828-L852 HydrophobicContact CD1-CD2 3.92Å; Y828-L852 HydrophobicContact CE1-CD1 3.89Å; Y828-L852 HydrophobicContact CE1-CD2 4.02Å; Y828-L852 HydrophobicContact CG-CD2 4.23Å; L852-Y854 HydrophobicContact CD2-CE2 4.43Å; L852-Y854 VanDerWaalsContact CD2-OH 3.24Å; L852-Y854 WeakPolarHBondContact CD2-OH 3.46Å; L852-Y854 PolarHBondContact O-N 3.37Å; L852-L855 HydrophobicContact CB-CD1 3.81Å; L852-L855 HydrophobicContact CB-CG 4.12Å; L852-L855 HydrophobicContact CD1-CD1 4.17Å; L852-L855 PolarHBondContact O-N 3.48Å
853	F	97.2	Very high	95.3	Very high	5 Å²	5	46.7 Å²	46.7	2%	0.022	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.6	-172	72.1	-89.6	0	0	0	114	C570 K605 L832 L835 P844 L848 Y851	C570-F853 HydrophobicContact CB-CE2 4.45Å; K605-F853 WeakPolarHBondContact CE-O 3.34Å; L832-F853 HydrophobicContact CD1-CE1 4.36Å; L832-F853 HydrophobicContact CD1-CE2 4.45Å; L832-F853 HydrophobicContact CD1-CZ 3.74Å; L835-F853 HydrophobicContact CD2-CE2 4.43Å; P844-F853 HydrophobicContact CB-CE2 4.2Å; P844-F853 HydrophobicContact CB-CZ 3.76Å; P844-F853 HydrophobicContact CG-CE2 4.22Å; P844-F853 HydrophobicContact CG-CZ 3.84Å; L848-F853 HydrophobicContact CB-CD1 3.63Å; L848-F853 HydrophobicContact CB-CE1 3.75Å; L848-F853 HydrophobicContact CB-CG 4.1Å; L848-F853 HydrophobicContact CB-CZ 4.32Å; L848-F853 HydrophobicContact CD1-CD2 4.15Å; L848-F853 HydrophobicContact CD1-CE2 4.35Å; L848-F853 HydrophobicContact CD1-CG 4.27Å; L848-F853 WeakPolarHBondContact O-CD1 3.39Å; L848-F853 WeakPolarHBondContact O-CE1 3.4Å; Y851-F853 VanDerWaalsContact O-CD1 3.3Å; Y851-F853 WeakPolarHBondContact O-CD1 3.39Å; Y851-F853 PolarHBondContact O-N 2.91Å
854	Y	96.9	Very high	95.6	Very high	5 Å²	5	42.4 Å²	42.4	2%	0.02	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	2.8	-172.5	49.4	-95	0	0	0	115.6	S654 Y828 K831 L832 Y851 L852	S654-Y854 WeakPolarHBondContact OG-CE1 3.4Å; Y828-Y854 HydrophobicContact CD1-CE2 4.27Å; Y828-Y854 VanDerWaalsContact O-CE2 3.29Å; Y828-Y854 WeakPolarHBondContact O-CE2 3.33Å; K831-Y854 HydrophobicContact CB-CD2 3.77Å; K831-Y854 HydrophobicContact CB-CE2 4.24Å; L832-Y854 HydrophobicContact CB-CD1 4.05Å; L832-Y854 HydrophobicContact CB-CD2 3.94Å; L832-Y854 HydrophobicContact CB-CE1 4.29Å; L832-Y854 HydrophobicContact CB-CE2 4.15Å; L832-Y854 HydrophobicContact CB-CG 3.86Å; L832-Y854 HydrophobicContact CD1-CD1 3.9Å; L832-Y854 HydrophobicContact CD1-CG 4.14Å; L832-Y854 HydrophobicContact CD2-CD1 4.47Å; L832-Y854 HydrophobicContact CD2-CE1 4.36Å; L832-Y854 HydrophobicContact CG-CD1 4.36Å; Y851-Y854 WeakPolarHBondContact O-CE1 3.37Å; L852-Y854 HydrophobicContact CD2-CE2 4.43Å; L852-Y854 VanDerWaalsContact CD2-OH 3.24Å; L852-Y854 WeakPolarHBondContact CD2-OH 3.46Å; L852-Y854 PolarHBondContact O-N 3.37Å
855	L	95.8	Very high	95.6	Very high	16 Å²	16	44.9 Å²	44.9	8%	0.084	22%	0.221	C	C	.	.			trans	-66.9	0	-179.3	-72.5	-179.6	0	0	0	115	Q601 C604 K605 Y813 N815 Y828 K831 L852	Q601-L855 HydrophobicContact CG-CB 4.34Å; Q601-L855 PolarHBondContact NE2-O 3.06Å; Q601-L855 PolarHBondContact NE2-OXT 3.43Å; C604-L855 HydrophobicContact CB-CD1 3.93Å; K605-L855 WeakPolarHBondContact CE-OXT 3.18Å; K605-L855 PolarHBondContact NZ-OXT 2.67Å; Y813-L855 HydrophobicContact CE2-CD2 3.89Å; N815-L855 HydrophobicContact CB-CD2 4.3Å; N815-L855 PolarHBondContact ND2-O 2.75Å; Y828-L855 HydrophobicContact CD1-CD2 3.93Å; Y828-L855 HydrophobicContact CE1-CD1 4.33Å; Y828-L855 HydrophobicContact CE1-CD2 3.95Å; K831-L855 HydrophobicContact CG-CD2 4.48Å; K831-L855 PolarHBondContact NZ-O 2.94Å; L852-L855 HydrophobicContact CB-CD1 3.81Å; L852-L855 HydrophobicContact CB-CG 4.12Å; L852-L855 HydrophobicContact CD1-CD1 4.17Å; L852-L855 PolarHBondContact O-N 3.48Å

Retrieved 855 of 855 residues in 2020.5 ms (Link to these results)

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