A0A077Z2Q4_TRITR Loading...

F box only protein 11

AlphaFold DB , UniProt , Accession A0A077Z2Q4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 915 aa.

						>A0A077Z2Q4_TRITR|A0A077Z2Q4
MRRTQPARRKRPIAEALSQTESAKVVGAKASGSANCPLEGSYVGRYRLRRRREDGRVARQECSYAKKVKKENDDANCSLNIDDSEGQDPKRARRRPSLDNNPEEPGSSSRQDEPTESKRSLIGPKKVSFCHIDRMPDEILLNIFSKLFEKDLCRLSRVCRRWNRLSNDVKLWERLYKEVFEYDVPLYRWARCHFAFRERSQWNCANPWKKSFGLLHAGIHVRHPCSNRYRERGWSERHFDTIEAALAHSKKLDDALIFIHSGTYANESLFISHNVQIIGAAAGNVAESVIIQGKNNTVINFCAGANRAYLGFVTVRASFATNHLAVFSFSISLCLQLRPDRNNLVAHQEHCAVGISAYSSPSVENCIIKSSNVTGSAMCVQGKDANPKVKGCKIVDCDSVGLCITDLAQGLYVNNEIARNTLAGVWVKKHASPIFKNCTIYDGNDVGLFVFDHGHGYFEKCNIYGNRISGVEIKQYGNPTIVRCTIHSGLTGGIYVHEYGRGHISENKICDNNFAGIWITMRSNPTIRNNKIFNGRQGGVYIFGEGRGLIEGNDIYGNALAGIQIRTNSDPIVRNNRIHHGQHGGIYVHERGRGLIESNEVYMNALAGIWVTTGSAPVMRYNRIHSGRQVGVYFYDNGNGLLEENEIFNHQYSGVQIRTGSNPHVIRNKIWGGKNGGALIYNGGIGTLEENEIFGNAMAGVWIKTGSRPVLRRNKIFGSRDAGVCIFSNGGGVLEDNEIFRNAHAGVLISSESNPTLRRNMIYNGHGAGVEITSGANATLVENVIYGNRHAGIALATHVKPILKNNKVFSNMNAVEKAIKKGQCLFQLSSCTSFPMHDFYSCHTCGTTERSAICVNCVKKCHKGHSVHFVRHDRFFCDCGAGALESKCQLQCSTQDNDTVYDSAAPTETITLSAV
					

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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	31.6	Very low	32.7	Very low	243 Å²	243	204.2 Å²	204.2	100%	1.197	93%	0.925	S	S	*	*				0	142.1	0	-83.4	-176.7	173.3	0	0	109
2	R	32.6	Very low	32.7	Very low	253 Å²	253	196.1 Å²	196.1	96%	0.955	91%	0.906	S	S	*	*			trans	94	125.6	-179	-61.9	-172.3	176.6	-163.3	-0.7	116.6
3	R	31.7	Very low	32.6	Very low	248 Å²	248	192.1 Å²	192.1	94%	0.936	89%	0.893	S	S	*	*			trans	-88.9	145.5	-163.2	-74.7	169.6	161.3	170.4	-6.6	111.7
4	T	37.2	Very low	32.6	Very low	145 Å²	145	182.3 Å²	182.3	89%	0.89	86%	0.861	S	S	*	*			trans	-121.1	154.6	158	40.3	0	0	0	0	110.1
5	Q	30.6	Very low	32.5	Very low	190 Å²	190	179.9 Å²	179.9	89%	0.888	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-64.3	157.7	-156.9	-60.6	164	-15.4	0	0	116.7
6	P	34.7	Very low	32.4	Very low	128 Å²	128	172.9 Å²	172.9	83%	0.831	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-93.7	129.5	167.5	34.3	-26.2	0	0	0	112.4
7	A	34.3	Very low	32.4	Very low	97 Å²	97	172.8 Å²	172.8	80%	0.802	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-71.8	138.1	171.5	0	0	0	0	0	112.3	R9	A7-R9 PolarHBondContact O-N 3.44Å
8	R	31.2	Very low	32.4	Very low	252 Å²	252	168.4 Å²	168.4	95%	0.951	83%	0.825	S	S	*	*			trans	-67.9	113.2	171.7	-83.5	178.2	166.3	179.9	-4.1	110.9
9	R	32.5	Very low	32.3	Very low	246 Å²	246	166.8 Å²	166.8	93%	0.928	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-82.1	122.9	164.3	-82.5	-178.8	169.6	-178.2	-3.4	110.4	A7	A7-R9 PolarHBondContact O-N 3.44Å
10	K	33.9	Very low	32.1	Very low	209 Å²	209	164.1 Å²	164.1	91%	0.909	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-75.6	123.6	164.3	-74.3	-178.6	176.4	179.3	0	108.9
11	R	29.6	Very low	32	Very low	235 Å²	235	164.1 Å²	164.1	89%	0.887	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-79.7	140.2	171.6	-73.9	-177.9	179.1	-177.1	-1.4	110.3
12	P	32.2	Very low	31.8	Very low	107 Å²	107	157.8 Å²	157.8	70%	0.695	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-80.4	135.7	175.9	30.3	-29.8	0	0	0	112.1	A14	P12-A14 PolarHBondContact O-N 3.03Å
13	I	31.8	Very low	31.6	Very low	144 Å²	144	150.2 Å²	150.2	74%	0.738	78%	0.779	S	S	*	*	S	Bend	trans	-80.5	42.5	-178.8	-62.6	162.9	0	0	0	111.2
14	A	32.5	Very low	31.5	Very low	55 Å²	55	147.5 Å²	147.5	46%	0.455	77%	0.774	S	S	.	*			trans	-107.6	1.9	-174	0	0	0	0	0	114.9	P12	P12-A14 PolarHBondContact O-N 3.03Å
15	E	31	Very low	30.9	Very low	147 Å²	147	147.9 Å²	147.9	69%	0.687	78%	0.776	S	S	*	*	S	Bend	trans	-99.8	4.1	-178.3	-84.5	176.4	148.2	0	0	114.8
16	A	31.4	Very low	30.9	Very low	67 Å²	67	144.7 Å²	144.7	55%	0.554	77%	0.769	S	S	*	*	S	Bend	trans	-95.8	-1.3	-176.2	0	0	0	0	0	115.2
17	L	31.9	Very low	30.4	Very low	171 Å²	171	142.1 Å²	142.1	90%	0.895	77%	0.766	S	S	*	*	S	Bend	trans	-113.2	7.2	-178.2	-79.2	163.5	0	0	0	114.3
18	S	32.4	Very low	30.1	Very low	94 Å²	94	142.2 Å²	142.2	66%	0.657	77%	0.766	S	S	*	*	S	Bend	trans	-127.3	0.7	175.2	61.4	0	0	0	0	114.6
19	Q	30.1	Very low	29.8	Very low	139 Å²	139	140.5 Å²	140.5	65%	0.65	77%	0.766	S	S	*	*	S	Bend	trans	-122.3	20.3	-175.5	-68.1	-171.7	1.2	0	0	114.7
20	T	30	Very low	29.7	Very low	112 Å²	112	133.7 Å²	133.7	69%	0.687	76%	0.762	S	S	*	*			trans	-125.7	45.2	179.7	41.2	0	0	0	0	113.2
21	E	29.8	Very low	29.4	Very low	165 Å²	165	129.8 Å²	129.8	77%	0.771	76%	0.761	S	S	*	*	S	Bend	trans	-140.9	59.4	158.8	-81.4	-167.2	159.3	0	0	110.3
22	S	26.4	Very low	29.4	Very low	110 Å²	110	122.4 Å²	122.4	77%	0.769	76%	0.758	S	S	*	*			trans	-146.1	64.8	169.5	39.3	0	0	0	0	109.5
23	A	29.4	Very low	29.2	Very low	94 Å²	94	123.1 Å²	123.1	78%	0.777	77%	0.765	S	S	*	*	S	Bend	trans	-145.5	103.6	168.8	0	0	0	0	0	111.6
24	K	28.8	Very low	29.2	Very low	191 Å²	191	120.5 Å²	120.5	83%	0.83	77%	0.766	S	S	*	*			trans	53.4	92.3	150.5	-71.5	178.4	176.1	176.9	0	117.5	V26	K24-V26 HydrophobicContact CB-CG2 4.35Å; K24-V26 PolarHBondContact O-N 3.4Å; K24-V26 VanDerWaalsContact O-N 3.14Å
25	V	25.3	Very low	29.1	Very low	153 Å²	153	125.8 Å²	125.8	93%	0.927	79%	0.786	S	S	*	*			trans	-65.6	100.3	144	177.5	0	0	0	0	107.6
26	V	29.4	Very low	28.7	Very low	123 Å²	123	124 Å²	124	75%	0.745	79%	0.789	S	S	*	*			trans	-119	119.3	159.5	176	0	0	0	0	106.4	K24	K24-V26 HydrophobicContact CB-CG2 4.35Å; K24-V26 PolarHBondContact O-N 3.4Å; K24-V26 VanDerWaalsContact O-N 3.14Å
27	G	25.1	Very low	28.6	Very low	74 Å²	74	127 Å²	127	76%	0.763	80%	0.802	S	S	*	*			trans	-66.2	141.9	-176	0	0	0	0	0	112.8
28	A	28.1	Very low	28.4	Very low	99 Å²	99	126.1 Å²	126.1	82%	0.818	80%	0.798	S	S	*	*			trans	-137.3	112.1	154.7	0	0	0	0	0	107.8
29	K	24.6	Very low	28.3	Very low	216 Å²	216	131.2 Å²	131.2	94%	0.939	81%	0.811	S	S	*	*			trans	-63.7	131.5	165.2	-75.3	173.5	172.6	176.5	0	108.4
30	A	29.9	Very low	28.3	Very low	102 Å²	102	128.5 Å²	128.5	84%	0.843	82%	0.82	S	S	*	*			trans	-146.7	104.7	151.8	0	0	0	0	0	108.8
31	S	27.1	Very low	28.1	Very low	128 Å²	128	127.9 Å²	127.9	90%	0.895	82%	0.821	S	S	*	*			trans	-56.7	142.3	163.2	44.6	0	0	0	0	111.8
32	G	31.4	Very low	28	Very low	80 Å²	80	131.5 Å²	131.5	83%	0.825	83%	0.829	S	S	*	*			trans	179	86	171.6	0	0	0	0	0	111.7
33	S	26.2	Very low	28	Very low	121 Å²	121	132.1 Å²	132.1	85%	0.846	83%	0.828	S	S	*	*			trans	-57.5	139.6	169.3	51.1	0	0	0	0	113
34	A	32.3	Very low	28	Very low	90 Å²	90	131 Å²	131	74%	0.744	83%	0.826	S	S	*	*			trans	-177.3	113.2	136.7	0	0	0	0	0	112.4
35	N	31.3	Very low	27.8	Very low	165 Å²	165	132.6 Å²	132.6	88%	0.882	83%	0.827	S	S	*	*			trans	55.2	121.8	137.9	-63.8	-12.6	0	0	0	123.1
36	C	21.1	Very low	27.8	Very low	111 Å²	111	136.1 Å²	136.1	75%	0.75	83%	0.825	S	S	*	*			trans	-55.6	165.3	159.8	-127.6	0	0	0	0	113.1
37	P	31.1	Very low	27.6	Very low	128 Å²	128	140.5 Å²	140.5	83%	0.831	83%	0.828	S	S	*	*				-138.7	155.2	95.2	29.1	-11	0	0	0	116
38	L	26.9	Very low	27.6	Very low	154 Å²	154	144.7 Å²	144.7	81%	0.806	83%	0.832	S	S	*	*			trans	-62.4	148.4	171.3	-66.5	146.2	0	0	0	112.3
39	E	29.5	Very low	27.4	Very low	200 Å²	200	151 Å²	151	94%	0.935	84%	0.835	S	S	*	*				161.2	143.7	125.4	-89.7	-177.9	179.4	0	0	111.8
40	G	29.9	Very low	27.5	Very low	82 Å²	82	151.4 Å²	151.4	85%	0.845	83%	0.831	S	S	*	*			trans	126.3	72.9	163.5	0	0	0	0	0	116.5
41	S	27.4	Very low	27.3	Very low	100 Å²	100	156.6 Å²	156.6	70%	0.699	83%	0.828	S	S	*	*			trans	-62.9	136.7	176.7	52.8	0	0	0	0	115.7
42	Y	27	Very low	27.4	Very low	240 Å²	240	159.6 Å²	159.6	94%	0.941	82%	0.82	S	S	*	*			trans	-137.4	108.3	146.5	-111.2	-90.8	0	0	0	109.5
43	V	26.5	Very low	27.3	Very low	124 Å²	124	164.9 Å²	164.9	75%	0.752	82%	0.823	S	S	*	*			trans	-91.9	108.7	-177.4	178.1	0	0	0	0	109.6
44	G	28.5	Very low	27.6	Very low	71 Å²	71	165.6 Å²	165.6	73%	0.732	82%	0.818	S	S	*	*			trans	-95.2	106.1	163.3	0	0	0	0	0	110.3	Y46	G44-Y46 PolarHBondContact O-N 3.08Å
45	R	25.1	Very low	27.4	Very low	223 Å²	223	165 Å²	165	84%	0.842	82%	0.82	S	S	*	*			trans	-62.4	113.6	-177.3	-72	175.1	179.4	167.6	0.1	112.4
46	Y	26	Very low	27.4	Very low	228 Å²	228	168.9 Å²	168.9	89%	0.894	82%	0.822	S	S	*	*			trans	-98.3	111.1	147.4	-92.5	-90.9	0	0	0	108.3	G44 L48	G44-Y46 PolarHBondContact O-N 3.08Å; Y46-L48 PolarHBondContact O-N 3.02Å
47	R	24.7	Very low	27.6	Very low	215 Å²	215	170.4 Å²	170.4	81%	0.811	83%	0.828	S	S	*	*			trans	-72.7	103.1	172.8	-98.9	-179.2	171.3	171.7	-1.7	109.1	R49	R47-R49 PolarHBondContact O-N 3.02Å
48	L	24.4	Very low	27.4	Very low	162 Å²	162	169 Å²	169	85%	0.848	83%	0.826	S	S	*	*			trans	-70.7	113.5	152.9	-100.9	123.6	0	0	0	108.3	Y46	Y46-L48 PolarHBondContact O-N 3.02Å
49	R	25.7	Very low	27.4	Very low	230 Å²	230	173 Å²	173	87%	0.868	83%	0.831	S	S	*	*			trans	-94.1	107.9	160.4	-94.9	-175	169.2	-179.4	-3	108.3	R47	R47-R49 PolarHBondContact O-N 3.02Å
50	R	25.3	Very low	27.2	Very low	226 Å²	226	172.7 Å²	172.7	85%	0.853	83%	0.83	S	S	*	*			trans	-80.2	159.2	153.6	-88.3	-175.8	170.3	-177.5	-2.9	109.4
51	R	27.1	Very low	27	Very low	211 Å²	211	177.8 Å²	177.8	80%	0.796	83%	0.831	S	S	*	*			trans	97.6	130.1	-179.7	-71.6	-174.3	169	-170.2	-1.3	112.4
52	R	29.2	Very low	26.8	Very low	191 Å²	191	179.1 Å²	179.1	72%	0.721	84%	0.839	S	S	*	*			cis	-157.7	163.5	21.5	-116	160.8	-172.7	-172.1	0.8	109.9
53	E	28.2	Very low	26.7	Very low	191 Å²	191	172.8 Å²	172.8	89%	0.893	83%	0.83	S	S	*	*			trans	-75.9	109.4	172.4	-65.4	161.1	137.5	0	0	110.5
54	D	33.4	Very low	26.7	Very low	136 Å²	136	177.6 Å²	177.6	73%	0.727	84%	0.836	S	S	*	*			trans	-168	109.1	163.7	7.6	24.4	0	0	0	109.5	R56	D54-R56 PolarHBondContact O-N 3.05Å
55	G	26.9	Very low	26.5	Very low	76 Å²	76	178.6 Å²	178.6	78%	0.784	84%	0.838	S	S	*	*			trans	-68	128.9	175.9	0	0	0	0	0	111.7
56	R	31.5	Very low	26.7	Very low	247 Å²	247	177.5 Å²	177.5	93%	0.932	84%	0.839	S	S	*	*			trans	-170.7	115.9	146.1	-101.1	162.4	-156	-158.7	6.9	109	D54	D54-R56 PolarHBondContact O-N 3.05Å
57	V	25.1	Very low	26.8	Very low	144 Å²	144	176.9 Å²	176.9	87%	0.873	84%	0.841	S	S	*	*			trans	-69.5	125.3	172.9	176.1	0	0	0	0	108.8
58	A	28.4	Very low	26.8	Very low	97 Å²	97	172.7 Å²	172.7	80%	0.802	84%	0.839	S	S	*	*			trans	-125.3	109.9	162.6	0	0	0	0	0	108.7
59	R	25.2	Very low	27	Very low	239 Å²	239	175 Å²	175	90%	0.902	84%	0.843	S	S	*	*			trans	-65.3	130.9	166	-81.2	176.9	169.6	175.1	-3.6	108.5
60	Q	27	Very low	27.1	Very low	194 Å²	194	172.4 Å²	172.4	91%	0.907	84%	0.838	S	S	*	*			trans	-122.3	115.3	160.8	-125.6	176.3	-0.5	0	0	108.6
61	E	24	Very low	27.4	Very low	188 Å²	188	171 Å²	171	88%	0.879	84%	0.841	S	S	*	*			trans	-64.3	140.8	172.2	-63.6	173	150.2	0	0	110.1
62	C	23.7	Very low	27.5	Very low	128 Å²	128	167.2 Å²	167.2	87%	0.865	84%	0.836	S	S	*	*			trans	-130.2	105.6	157.1	-158.3	0	0	0	0	108.2
63	S	25.1	Very low	27.7	Very low	108 Å²	108	165.5 Å²	165.5	76%	0.755	84%	0.841	S	S	*	*			trans	-78.7	134.4	173.7	48.1	0	0	0	0	110.2
64	Y	26.5	Very low	27.8	Very low	224 Å²	224	163.8 Å²	163.8	88%	0.878	84%	0.838	S	S	*	*			trans	-136	102.1	156.2	-129.7	-89.5	0	0	0	108.2
65	A	25.2	Very low	27.8	Very low	93 Å²	93	161.6 Å²	161.6	77%	0.769	84%	0.839	S	S	*	*			trans	-82.8	131	175.2	0	0	0	0	0	110.1
66	K	28.9	Very low	28	Very low	200 Å²	200	165.1 Å²	165.1	87%	0.87	84%	0.84	S	S	*	*			trans	-134.9	121.9	152.3	-108.8	-179.4	-179.3	179	0	109.4
67	K	28.3	Very low	27.7	Very low	214 Å²	214	158.8 Å²	158.8	93%	0.93	83%	0.832	S	S	*	*			trans	-55.5	134	-173.7	-77.8	170.1	167.9	174	0	112.9
68	V	24.5	Very low	27.8	Very low	128 Å²	128	156.1 Å²	156.1	78%	0.776	82%	0.82	S	S	*	*			trans	-84.7	132.3	160.1	174.1	0	0	0	0	108.3	K70	V68-K70 HydrophobicContact CG1-CG 4.47Å
69	K	29.1	Very low	27.8	Very low	211 Å²	211	158.1 Å²	158.1	92%	0.917	82%	0.817	S	S	*	*			trans	-109.6	118.7	151.6	-111.6	-171.9	175.2	-168.3	0	106.6
70	K	27.4	Very low	27.9	Very low	175 Å²	175	153 Å²	153	76%	0.761	81%	0.807	S	S	*	*			trans	-72.1	143.7	167.5	-83.4	178.4	168.6	-177.3	0	108.8	V68	V68-K70 HydrophobicContact CG1-CG 4.47Å
71	E	31.3	Very low	28.2	Very low	197 Å²	197	150.9 Å²	150.9	92%	0.921	80%	0.8	S	S	*	*			trans	-149.9	124	133.5	-107.3	158.4	-156.4	0	0	106.9
72	N	28.3	Very low	28.5	Very low	130 Å²	130	148.5 Å²	148.5	70%	0.695	79%	0.794	S	S	*	*			trans	-71.2	151	168.7	-72.9	-15	0	0	0	107.9
73	D	33.9	Very low	28.9	Very low	155 Å²	155	149 Å²	149	83%	0.829	79%	0.788	S	S	*	*				-176.5	155.1	112.4	-84.9	-13.4	0	0	0	110.3
74	D	30.2	Very low	29.1	Very low	156 Å²	156	148.5 Å²	148.5	83%	0.834	78%	0.784	S	S	*	*			trans	-76.7	174.9	-155.6	-68.4	-56.2	0	0	0	116.1
75	A	33.2	Very low	29.4	Very low	90 Å²	90	146.9 Å²	146.9	74%	0.744	79%	0.785	S	S	*	*			trans	101.7	97.3	146.6	0	0	0	0	0	118.3
76	N	30.3	Very low	29.6	Very low	150 Å²	150	145.8 Å²	145.8	80%	0.802	78%	0.783	S	S	*	*				53.3	126.7	118.5	-90.3	-10	0	0	0	121.3
77	C	25.3	Very low	29.8	Very low	113 Å²	113	146 Å²	146	76%	0.764	79%	0.786	S	S	*	*			trans	56.7	140.2	136.2	-75.9	0	0	0	0	118.1
78	S	27.7	Very low	30.1	Very low	89 Å²	89	143 Å²	143	62%	0.622	78%	0.781	S	S	*	*			cis	171.6	157.5	2	47.9	0	0	0	0	104.7
79	L	29	Very low	31	Very low	139 Å²	139	141.5 Å²	141.5	73%	0.728	77%	0.774	S	S	*	*			trans	81.5	111.5	155.7	-59.6	157.7	0	0	0	119.3
80	N	27.7	Very low	31.3	Very low	130 Å²	130	141.3 Å²	141.3	70%	0.695	77%	0.773	S	S	*	*				87	141.2	116.6	-70.1	-3.8	0	0	0	122.1
81	I	32.5	Very low	31.5	Very low	151 Å²	151	144.6 Å²	144.6	77%	0.774	78%	0.78	S	S	*	*			trans	99.3	95.7	152.3	-61.2	136.4	0	0	0	116.4
82	D	29.6	Very low	31.7	Very low	138 Å²	138	140.3 Å²	140.3	74%	0.738	78%	0.778	S	S	*	*				42.2	149.2	116.2	-66.5	-28.9	0	0	0	123.2
83	D	32.7	Very low	31.9	Very low	138 Å²	138	145.4 Å²	145.4	74%	0.738	79%	0.788	S	S	*	*			trans	91	95	148.6	-66.4	-18.5	0	0	0	120.7
84	S	29.9	Very low	31.8	Very low	98 Å²	98	149.7 Å²	149.7	69%	0.685	79%	0.792	S	S	*	*				58.1	143.6	113.2	72.4	0	0	0	0	122.4
85	E	32.6	Very low	31.7	Very low	190 Å²	190	154 Å²	154	89%	0.888	80%	0.797	S	S	*	*			trans	93.8	125.2	156.9	-55.3	-156.2	148.4	0	0	117.3
86	G	28.9	Very low	31.9	Very low	70 Å²	70	155.9 Å²	155.9	72%	0.722	80%	0.802	S	S	*	*			trans	-96.2	171.8	-174.2	0	0	0	0	0	113.1
87	Q	33	Very low	32.1	Very low	204 Å²	204	154.2 Å²	154.2	95%	0.953	80%	0.802	S	S	*	*			trans	-174.1	134.6	136.3	-102.7	168.7	22.5	0	0	108.9
88	D	35	Very low	32.6	Very low	152 Å²	152	156.8 Å²	156.8	81%	0.813	81%	0.807	S	S	*	*			trans	-92.3	-169.9	-174	-155.2	28.6	0	0	0	109
89	P	42.9	Very low	33.1	Very low	96 Å²	96	160 Å²	160	62%	0.623	82%	0.817	S	S	*	*				-128.2	177.9	-80.2	35.1	-20.3	0	0	0	113.9
90	K	35.8	Very low	33.4	Very low	206 Å²	206	160.8 Å²	160.8	90%	0.896	82%	0.822	S	S	*	*			trans	-141.8	115.9	153.6	-75.9	-172.1	-178.3	168.1	0	114.4
91	R	31.1	Very low	33.9	Very low	245 Å²	245	162.4 Å²	162.4	93%	0.925	83%	0.831	S	S	*	*			trans	31.1	127.2	139.3	-76.2	178.5	168.6	-173.7	-2	120.6
92	A	35.2	Very low	34.3	Very low	106 Å²	106	160.6 Å²	160.6	88%	0.876	83%	0.829	S	S	*	*				-164.3	135.3	118.6	0	0	0	0	0	114.7
93	R	32.7	Very low	34.6	Very low	237 Å²	237	163.2 Å²	163.2	89%	0.894	84%	0.837	S	S	*	*			trans	-44.8	145.5	177.2	-63.2	162.9	166.1	175.3	-6.5	117.9
94	R	32.9	Very low	34.6	Very low	245 Å²	245	165.8 Å²	165.8	93%	0.925	84%	0.844	S	S	*	*				162.8	128.6	104.2	-84.6	-173.6	-176.9	-158.2	0.6	111.4
95	R	28.8	Very low	35	Very low	246 Å²	246	167.1 Å²	167.1	93%	0.928	85%	0.851	S	S	*	*			trans	-137.7	145.2	158.9	-82	-171.5	-179.9	-173.8	0.5	108.2
96	P	36.9	Very low	35	Very low	131 Å²	131	161.7 Å²	161.7	85%	0.851	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-96.8	135.5	151.5	25.3	-10.2	0	0	0	110.1
97	S	34.8	Very low	35.4	Very low	114 Å²	114	164.5 Å²	164.5	80%	0.797	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-96.4	130.6	174.8	48.2	0	0	0	0	110.8
98	L	35.4	Very low	35.4	Very low	167 Å²	167	160.2 Å²	160.2	87%	0.874	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-99.5	118.1	157.3	-83.4	149.9	0	0	0	106.3
99	D	37.2	Very low	35.5	Very low	157 Å²	157	158.8 Å²	158.8	84%	0.84	85%	0.849	S	S	*	*			trans	-123.8	118.4	164.3	-99.5	-24	0	0	0	107.8
100	N	36.7	Very low	35	Very low	155 Å²	155	165.3 Å²	165.3	83%	0.829	86%	0.861	S	S	*	*			trans	-93.4	122.9	166.1	-82.4	-26.1	0	0	0	107.7
101	N	37.5	Very low	35	Very low	164 Å²	164	164.3 Å²	164.3	88%	0.877	86%	0.86	S	S	*	*			trans	-126.7	127.5	160.5	-100.6	-10.3	0	0	0	107.7
102	P	40.6	Very low	35.2	Very low	114 Å²	114	159.8 Å²	159.8	74%	0.74	85%	0.854	S	S	*	*			trans	-94.9	126.7	171.4	26	-13.7	0	0	0	112.4
103	E	35.7	Very low	35	Very low	192 Å²	192	163.8 Å²	163.8	90%	0.897	85%	0.854	S	S	*	*			trans	54.7	115.3	133.9	-60.6	-176.8	165.1	0	0	121.8
104	E	33.6	Very low	35.3	Very low	192 Å²	192	158.3 Å²	158.3	90%	0.897	85%	0.849	S	S	*	*			trans	-99.7	150	147.3	-73.4	-176	160.3	0	0	109.6
105	P	37.3	Very low	35.4	Very low	127 Å²	127	153.3 Å²	153.3	83%	0.825	85%	0.846	S	S	*	*			trans	-114.2	118.4	160.3	30.7	-16.4	0	0	0	113.2
106	G	33.8	Very low	35.8	Very low	75 Å²	75	151.5 Å²	151.5	77%	0.773	85%	0.848	S	S	*	*				66.3	115.6	125.8	0	0	0	0	0	121.1
107	S	37.3	Very low	35.9	Very low	130 Å²	130	150.8 Å²	150.8	91%	0.909	85%	0.846	S	S	*	*				-164.9	150.6	117.3	48.4	0	0	0	0	112.4
108	S	32.6	Very low	35.9	Very low	113 Å²	113	155.4 Å²	155.4	79%	0.79	85%	0.852	S	S	*	*			trans	-77.4	153.5	-159.9	54.9	0	0	0	0	117.1
109	S	36.2	Very low	36	Very low	123 Å²	123	159.2 Å²	159.2	86%	0.86	86%	0.855	S	S	*	*				-167.9	139.7	115.5	46.4	0	0	0	0	111.6
110	R	32.2	Very low	35.8	Very low	232 Å²	232	156.7 Å²	156.7	88%	0.875	85%	0.85	S	S	*	*			trans	-88.2	151.8	-172.2	-67.3	171.6	170.7	172.2	-4.5	111.8
111	Q	35.7	Very low	36	Very low	186 Å²	186	157.9 Å²	157.9	87%	0.869	86%	0.855	S	S	*	*			trans	-179.1	93.3	145.1	-99.3	169.7	19.8	0	0	106.8
112	D	35.7	Very low	36.1	Very low	150 Å²	150	158.4 Å²	158.4	80%	0.802	86%	0.856	S	S	*	*				72.8	96.3	92.9	-72.7	-25.7	0	0	0	114.1
113	E	31.9	Very low	36.2	Very low	190 Å²	190	155.4 Å²	155.4	89%	0.888	85%	0.845	S	S	*	*			trans	-83.6	146.3	155.4	-76.7	-168.1	151.9	0	0	109.6
114	P	38	Very low	36.5	Very low	121 Å²	121	152.7 Å²	152.7	79%	0.786	85%	0.845	S	S	*	*			trans	-117.1	131.9	151.2	15.8	3.7	0	0	0	112.7
115	T	36.3	Very low	37	Very low	140 Å²	140	153.1 Å²	153.1	86%	0.859	84%	0.844	S	S	*	*			trans	-48.9	135	168.2	25.7	0	0	0	0	114.8	S117	T115-S117 PolarHBondContact O-N 3.04Å
116	E	36.3	Very low	37.4	Very low	208 Å²	208	156.9 Å²	156.9	97%	0.972	85%	0.847	S	S	*	*			trans	-72.9	113.7	170.5	-86.3	-177.2	146.1	0	0	111.7
117	S	38.4	Very low	38.1	Very low	116 Å²	116	158.2 Å²	158.2	81%	0.811	84%	0.84	S	S	*	*			trans	-95.5	126	162.3	65.7	0	0	0	0	111	T115 R119	T115-S117 PolarHBondContact O-N 3.04Å; S117-R119 PolarHBondContact O-N 3.05Å
118	K	34.9	Very low	38.8	Very low	211 Å²	211	156.7 Å²	156.7	92%	0.917	83%	0.829	S	S	*	*			trans	-50.2	125.6	172.4	-70.7	171.5	175.2	174.1	0	112.7
119	R	37.5	Very low	39.8	Very low	248 Å²	248	157.9 Å²	157.9	94%	0.936	82%	0.82	S	S	*	*			trans	-139.9	122.9	144.8	-96.2	-176.7	-178.6	179	0.5	110.7	S117	S117-R119 PolarHBondContact O-N 3.05Å
120	S	33.9	Very low	41.2	Very low	104 Å²	104	155.1 Å²	155.1	73%	0.727	80%	0.8	S	S	*	*			trans	-63.8	135.9	170.7	49.5	0	0	0	0	111.9
121	L	40.8	Very low	43.3	Very low	180 Å²	180	151.8 Å²	151.8	94%	0.942	79%	0.794	S	S	*	*			trans	-146	107.9	147.5	-100.4	145	0	0	0	107.7
122	I	38.6	Very low	45.3	Very low	174 Å²	174	146 Å²	146	89%	0.892	77%	0.768	S	S	*	*			trans	-70.7	122	173.8	-67.3	163.3	0	0	0	107.2
123	G	44.2	Very low	47.2	Very low	51 Å²	51	143 Å²	143	53%	0.526	75%	0.753	S	S	.	*			trans	-157.2	134.4	167	0	0	0	0	0	107.8	K125	G123-K125 PolarHBondContact O-N 2.89Å
124	P	40.9	Very low	49.6	Very low	136 Å²	136	142.2 Å²	142.2	88%	0.883	74%	0.742	S	S	*	*			trans	-68.7	109.8	-167.5	27.6	-31.6	0	0	0	109.7	K126	P124-K126 PolarHBondContact O-N 2.92Å; P124-K126 VanDerWaalsContact O-N 3.08Å
125	K	45.3	Very low	51.9	Low	201 Å²	201	138.8 Å²	138.8	87%	0.874	72%	0.715	S	S	*	*			trans	-67.7	107.8	173.1	-80.2	-174.4	177.7	179.4	0	108.6	G123 V127	G123-K125 PolarHBondContact O-N 2.89Å; K125-V127 PolarHBondContact O-N 3.47Å
126	K	45.4	Very low	54.6	Low	205 Å²	205	135.4 Å²	135.4	89%	0.891	70%	0.696	S	S	*	*			trans	-46	110.6	161.3	-83.7	178.6	173.4	177.2	0	108.6	P124 S128	P124-K126 PolarHBondContact O-N 2.92Å; P124-K126 VanDerWaalsContact O-N 3.08Å; K126-S128 PolarHBondContact O-N 3.49Å
127	V	48.6	Very low	57.3	Low	104 Å²	104	127.3 Å²	127.3	63%	0.63	66%	0.66	S	S	*	*			trans	-66.3	99.8	168.8	179.7	0	0	0	0	106.3	K125 F129	K125-V127 PolarHBondContact O-N 3.47Å; V127-F129 HydrophobicContact CB-CE2 4.35Å; V127-F129 HydrophobicContact CG1-CD1 4.31Å; V127-F129 HydrophobicContact CG1-CD2 4.33Å; V127-F129 HydrophobicContact CG1-CE1 4.09Å; V127-F129 HydrophobicContact CG1-CE2 4.11Å; V127-F129 HydrophobicContact CG1-CG 4.45Å; V127-F129 HydrophobicContact CG1-CZ 4.01Å; V127-F129 PolarHBondContact O-N 2.65Å
128	S	50.5	Low	59.8	Low	97 Å²	97	128.3 Å²	128.3	68%	0.678	65%	0.651	S	S	*	*			trans	-68.7	105.4	168.9	68.8	0	0	0	0	107.4	K126 C130	K126-S128 PolarHBondContact O-N 3.49Å; S128-C130 PolarHBondContact O-N 3.39Å
129	F	55.3	Low	62.5	Low	139 Å²	139	122.1 Å²	122.1	61%	0.61	63%	0.628	S	S	*	*			trans	-72.6	75.4	172.9	-76.2	-73	0	0	0	109.8	V127	V127-F129 HydrophobicContact CB-CE2 4.35Å; V127-F129 HydrophobicContact CG1-CD1 4.31Å; V127-F129 HydrophobicContact CG1-CD2 4.33Å; V127-F129 HydrophobicContact CG1-CE1 4.09Å; V127-F129 HydrophobicContact CG1-CE2 4.11Å; V127-F129 HydrophobicContact CG1-CG 4.45Å; V127-F129 HydrophobicContact CG1-CZ 4.01Å; V127-F129 PolarHBondContact O-N 2.65Å
130	C	64.2	Low	65.1	Low	64 Å²	64	110.4 Å²	110.4	43%	0.432	58%	0.584	S	S	.	*			trans	-76.2	125.4	167.7	-162	0	0	0	0	108.2	S128 I132 D133	S128-C130 PolarHBondContact O-N 3.39Å; C130-I132 HydrophobicContact CB-CG2 4.12Å; C130-I132 PolarHBondContact O-N 3.46Å; C130-I132 VanDerWaalsContact SG-CG2 3.54Å; C130-D133 PolarHBondContact O-N 2.79Å
131	H	75.9	Confident	67.9	Low	163 Å²	163	107.8 Å²	107.8	76%	0.755	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-54.3	-28.4	179.5	-71.8	-75.1	0	0	0	112.9	D133 R134	H131-D133 VanDerWaalsContact C-N 3.29Å; H131-D133 PolarHBondContact O-N 3.04Å; H131-R134 PolarHBondContact O-N 2.83Å
132	I	78.3	Confident	70.4	Confident	63 Å²	63	103.7 Å²	103.7	32%	0.323	54%	0.54	S	S	.	.	G	3₁₀ helix	trans	-65.3	-30.5	-179.9	-154.5	165	0	0	0	113.1	C130 R134 M135 L140 W162	C130-I132 HydrophobicContact CB-CG2 4.12Å; C130-I132 PolarHBondContact O-N 3.46Å; C130-I132 VanDerWaalsContact SG-CG2 3.54Å; I132-R134 PolarHBondContact O-N 3.07Å; I132-M135 HydrophobicContact CG1-CE 4.05Å; I132-M135 PolarHBondContact O-N 3.29Å; I132-L140 HydrophobicContact CG1-CD2 4.45Å; I132-W162 HydrophobicContact CD1-CH2 3.64Å; I132-W162 HydrophobicContact CD1-CZ2 3.55Å; I132-W162 HydrophobicContact CG1-CH2 4.48Å; I132-W162 HydrophobicContact CG1-CZ2 3.89Å; I132-W162 HydrophobicContact CG2-CZ2 4.32Å
133	D	75.6	Confident	72.9	Confident	89 Å²	89	99 Å²	99	48%	0.476	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-72.5	-20.3	-179.7	-67.6	-42.3	0	0	0	112.3	C130 H131 R161	C130-D133 PolarHBondContact O-N 2.79Å; H131-D133 VanDerWaalsContact C-N 3.29Å; H131-D133 PolarHBondContact O-N 3.04Å; D133-R161 PolarHBondContact O-NH1 3.34Å
134	R	83.2	Confident	75.3	Confident	173 Å²	173	96.8 Å²	96.8	65%	0.653	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-93.3	-11.2	178.6	-66.5	-175.5	178.7	-176.6	0.5	114.3	H131 I132	H131-R134 PolarHBondContact O-N 2.83Å; I132-R134 PolarHBondContact O-N 3.07Å
135	M	86.3	Confident	77.6	Confident	48 Å²	48	91.4 Å²	91.4	24%	0.236	46%	0.458	C	S	.	.	S	Bend	trans	-64.5	142.8	-179.4	-67.8	-162	-40.2	0	0	110.9	I132 I139 L140 I143 R161	I132-M135 HydrophobicContact CG1-CE 4.05Å; I132-M135 PolarHBondContact O-N 3.29Å; M135-I139 HydrophobicContact CE-CG2 4.24Å; M135-I139 HydrophobicContact SD-CG2 4.02Å; M135-L140 HydrophobicContact CB-CG 4.35Å; M135-L140 HydrophobicContact CE-CD2 3.26Å; M135-L140 HydrophobicContact CE-CG 3.71Å; M135-I143 HydrophobicContact CE-CD1 3.5Å; M135-I143 VanDerWaalsContact CE-CD1 3.5Å; M135-I143 HydrophobicContact SD-CD1 4.27Å; M135-R161 PolarHBondContact O-NH1 3.34Å; M135-R161 PolarHBondContact O-NH2 2.91Å
136	P	91.8	Very high	79.7	Confident	70 Å²	70	88.4 Å²	88.4	46%	0.455	44%	0.444	S	S	.	.			trans	-60.3	152.7	171.9	-22.9	33.6	0	0	0	112.9	E138 I139 L140	P136-E138 WeakPolarHBondContact CB-OE2 3.44Å; P136-E138 PolarHBondContact O-N 3.02Å; P136-I139 HydrophobicContact CB-CG1 4.4Å; P136-I139 HydrophobicContact CG-CG1 4.37Å; P136-I139 PolarHBondContact O-N 3.44Å; P136-L140 PolarHBondContact O-N 2.86Å; P136-L140 VanDerWaalsContact O-N 3.16Å
137	D	92.7	Very high	81.8	Confident	38 Å²	38	80.9 Å²	80.9	20%	0.203	41%	0.414	C	S	.	.	H	α-helix	trans	-59.5	-32.4	179.1	-82.1	0.5	0	0	0	111.7	L140 L141 R161 R164 L165	D137-L140 PolarHBondContact O-N 3.02Å; D137-L141 WeakPolarHBondContact O-CB 3.22Å; D137-L141 VanDerWaalsContact O-CG 3.26Å; D137-L141 WeakPolarHBondContact O-CG 3.45Å; D137-L141 PolarHBondContact O-N 3.28Å; D137-R161 IonicContact OD1-CZ 3.26Å; D137-R161 VanDerWaalsContact OD1-CZ 3.26Å; D137-R161 IonicContact OD1-NE 2.91Å; D137-R161 PolarHBondContact OD1-NE 2.66Å; D137-R161 IonicContact OD1-NH2 2.7Å; D137-R161 PolarHBondContact OD1-NH2 3.48Å; D137-R164 IonicContact OD1-NH2 3.64Å; D137-R164 IonicContact OD2-CZ 3.35Å; D137-R164 IonicContact OD2-NH1 3.3Å; D137-R164 PolarHBondContact OD2-NH1 3.49Å; D137-R164 VanDerWaalsContact OD2-NH1 3.12Å; D137-R164 IonicContact OD2-NH2 2.66Å; D137-R164 PolarHBondContact OD2-NH2 2.63Å; D137-L165 HydrophobicContact CB-CD1 4.4Å; D137-L165 HydrophobicContact CB-CD2 3.86Å
138	E	91.4	Very high	83.5	Confident	136 Å²	136	79.4 Å²	79.4	64%	0.636	40%	0.399	S	S	*	.	H	α-helix	trans	-65.1	-40.6	179.9	-59.8	77.1	-170.6	0	0	111.8	P136 L141 N142	P136-E138 WeakPolarHBondContact CB-OE2 3.44Å; P136-E138 PolarHBondContact O-N 3.02Å; E138-L141 PolarHBondContact O-N 3.42Å; E138-N142 WeakPolarHBondContact O-CB 3.44Å; E138-N142 PolarHBondContact O-N 3.05Å
139	I	92.7	Very high	85.2	Confident	82 Å²	82	75.5 Å²	75.5	42%	0.421	37%	0.37	S	S	.	.	H	α-helix	trans	-70.4	-43.7	176.7	-58.2	-59.2	0	0	0	109.7	M135 P136 L141 N142 I143	M135-I139 HydrophobicContact CE-CG2 4.24Å; M135-I139 HydrophobicContact SD-CG2 4.02Å; P136-I139 HydrophobicContact CB-CG1 4.4Å; P136-I139 HydrophobicContact CG-CG1 4.37Å; P136-I139 PolarHBondContact O-N 3.44Å; I139-L141 VanDerWaalsContact C-N 3.35Å; I139-L141 PolarHBondContact O-N 3.36Å; I139-N142 PolarHBondContact O-N 3.25Å; I139-I143 HydrophobicContact CG2-CD1 4.05Å; I139-I143 VanDerWaalsContact O-CG1 3.31Å; I139-I143 WeakPolarHBondContact O-CG1 3.48Å; I139-I143 PolarHBondContact O-N 3.38Å
140	L	91.2	Very high	86.7	Confident	2 Å²	2	74.1 Å²	74.1	1%	0.01	36%	0.364	C	S	.	.	H	α-helix	trans	-60.2	-43.4	174	-77	171.2	0	0	0	111.7	I132 M135 P136 D137 N142 I143 F144 L165	I132-L140 HydrophobicContact CG1-CD2 4.45Å; M135-L140 HydrophobicContact CB-CG 4.35Å; M135-L140 HydrophobicContact CE-CD2 3.26Å; M135-L140 HydrophobicContact CE-CG 3.71Å; P136-L140 PolarHBondContact O-N 2.86Å; P136-L140 VanDerWaalsContact O-N 3.16Å; D137-L140 PolarHBondContact O-N 3.02Å; L140-N142 VanDerWaalsContact C-N 3.34Å; L140-N142 PolarHBondContact O-N 3.43Å; L140-I143 PolarHBondContact O-N 3.19Å; L140-F144 HydrophobicContact CD2-CE1 4.13Å; L140-F144 HydrophobicContact CD2-CZ 4.4Å; L140-F144 WeakPolarHBondContact O-CB 3.26Å; L140-F144 WeakPolarHBondContact O-CD1 3.23Å; L140-F144 WeakPolarHBondContact O-CG 3.34Å; L140-F144 PolarHBondContact O-N 3.08Å; L140-L165 HydrophobicContact CB-CD1 3.88Å; L140-L165 HydrophobicContact CD1-CD1 3.67Å; L140-L165 HydrophobicContact CG-CD1 4.44Å
141	L	92.8	Very high	88	Confident	48 Å²	48	73.6 Å²	73.6	25%	0.251	36%	0.357	S	S	.	.	H	α-helix	trans	-64.9	-37.6	176.2	-76.6	168.8	0	0	0	111.9	D137 E138 I139 F144 S145 L165 D168	D137-L141 WeakPolarHBondContact O-CB 3.22Å; D137-L141 VanDerWaalsContact O-CG 3.26Å; D137-L141 WeakPolarHBondContact O-CG 3.45Å; D137-L141 PolarHBondContact O-N 3.28Å; E138-L141 PolarHBondContact O-N 3.42Å; I139-L141 VanDerWaalsContact C-N 3.35Å; I139-L141 PolarHBondContact O-N 3.36Å; L141-F144 PolarHBondContact O-N 3.12Å; L141-S145 WeakPolarHBondContact O-CB 3.5Å; L141-S145 PolarHBondContact O-N 3.43Å; L141-L165 HydrophobicContact CD1-CD2 4.19Å; L141-L165 HydrophobicContact CD2-CB 4.25Å; L141-L165 HydrophobicContact CD2-CD2 4.16Å; L141-L165 HydrophobicContact CG-CD2 4.01Å; L141-D168 HydrophobicContact CD2-CB 3.74Å
142	N	92.3	Very high	88.8	Confident	95 Å²	95	65.8 Å²	65.8	51%	0.508	32%	0.321	S	S	.	.	H	α-helix	trans	-64.4	-43.7	174.2	-167.9	11.8	0	0	0	111.1	E138 I139 L140 S145	E138-N142 WeakPolarHBondContact O-CB 3.44Å; E138-N142 PolarHBondContact O-N 3.05Å; I139-N142 PolarHBondContact O-N 3.25Å; L140-N142 VanDerWaalsContact C-N 3.34Å; L140-N142 PolarHBondContact O-N 3.43Å; N142-S145 WeakPolarHBondContact O-CB 3.49Å; N142-S145 PolarHBondContact O-N 3.05Å; N142-S145 PolarHBondContact O-OG 2.9Å
143	I	91.9	Very high	89.4	Confident	76 Å²	76	65.4 Å²	65.4	39%	0.39	32%	0.323	S	S	.	.	H	α-helix	trans	-61.1	-48.3	173	-66.7	163.3	0	0	0	110.2	M135 I139 L140 S145 K146	M135-I143 HydrophobicContact CE-CD1 3.5Å; M135-I143 VanDerWaalsContact CE-CD1 3.5Å; M135-I143 HydrophobicContact SD-CD1 4.27Å; I139-I143 HydrophobicContact CG2-CD1 4.05Å; I139-I143 VanDerWaalsContact O-CG1 3.31Å; I139-I143 WeakPolarHBondContact O-CG1 3.48Å; I139-I143 PolarHBondContact O-N 3.38Å; L140-I143 PolarHBondContact O-N 3.19Å; I143-S145 PolarHBondContact O-N 3.13Å; I143-K146 WeakPolarHBondContact O-CB 3.32Å; I143-K146 PolarHBondContact O-N 3.3Å
144	F	93.9	Very high	90.2	Very high	4 Å²	4	68.2 Å²	68.2	2%	0.018	33%	0.327	C	S	.	.	H	α-helix	trans	-63.2	-30.8	-179.5	-70	10.3	0	0	0	111.4	L140 L141 K146 L147 L152 L155 W162 L165 L171	L140-F144 HydrophobicContact CD2-CE1 4.13Å; L140-F144 HydrophobicContact CD2-CZ 4.4Å; L140-F144 WeakPolarHBondContact O-CB 3.26Å; L140-F144 WeakPolarHBondContact O-CD1 3.23Å; L140-F144 WeakPolarHBondContact O-CG 3.34Å; L140-F144 PolarHBondContact O-N 3.08Å; L141-F144 PolarHBondContact O-N 3.12Å; F144-K146 PolarHBondContact O-N 3.07Å; F144-K146 VanDerWaalsContact O-N 3.16Å; F144-L147 HydrophobicContact CD1-CD1 4.12Å; F144-L147 WeakPolarHBondContact O-CB 3.43Å; F144-L147 PolarHBondContact O-N 3.26Å; F144-L152 HydrophobicContact CB-CD2 3.95Å; F144-L152 HydrophobicContact CG-CD2 4.43Å; F144-L155 HydrophobicContact CD1-CD1 3.54Å; F144-L155 HydrophobicContact CD2-CD1 4.15Å; F144-L155 HydrophobicContact CE1-CD1 3.48Å; F144-L155 VanDerWaalsContact CE1-CD1 3.48Å; F144-L155 HydrophobicContact CE1-CD2 4.39Å; F144-L155 HydrophobicContact CE2-CD1 4.07Å; F144-L155 HydrophobicContact CG-CD1 3.91Å; F144-L155 HydrophobicContact CZ-CD1 3.76Å; F144-W162 HydrophobicContact CZ-CB 4.44Å; F144-W162 HydrophobicContact CZ-CD2 4.07Å; F144-W162 HydrophobicContact CZ-CE3 4.25Å; F144-W162 HydrophobicContact CZ-CG 4.16Å; F144-L165 HydrophobicContact CD2-CB 3.95Å; F144-L165 HydrophobicContact CE2-CB 3.6Å; F144-L171 HydrophobicContact CB-CD1 4.48Å; F144-L171 HydrophobicContact CB-CD2 4.06Å
145	S	90.7	Very high	90.6	Very high	23 Å²	23	61.1 Å²	61.1	16%	0.161	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-11.5	174.1	82.8	0	0	0	0	114.5	L141 N142 I143 L171	L141-S145 WeakPolarHBondContact O-CB 3.5Å; L141-S145 PolarHBondContact O-N 3.43Å; N142-S145 WeakPolarHBondContact O-CB 3.49Å; N142-S145 PolarHBondContact O-N 3.05Å; N142-S145 PolarHBondContact O-OG 2.9Å; I143-S145 PolarHBondContact O-N 3.13Å; S145-L171 VanDerWaalsContact CA-CD1 3.41Å
146	K	89.3	Confident	90.9	Very high	137 Å²	137	59.8 Å²	59.8	60%	0.596	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-2	173.2	-53.1	-57	-179.4	176	0	113	I143 F144	I143-K146 WeakPolarHBondContact O-CB 3.32Å; I143-K146 PolarHBondContact O-N 3.3Å; F144-K146 PolarHBondContact O-N 3.07Å; F144-K146 VanDerWaalsContact O-N 3.16Å
147	L	89.3	Confident	91	Very high	47 Å²	47	66 Å²	66	25%	0.246	31%	0.312	C	S	.	.	S	Bend	trans	-101	151.9	-176.5	-60.1	178.9	0	0	0	111.5	F144 D151 L152 L155	F144-L147 HydrophobicContact CD1-CD1 4.12Å; F144-L147 WeakPolarHBondContact O-CB 3.43Å; F144-L147 PolarHBondContact O-N 3.26Å; L147-D151 HydrophobicContact CB-CB 3.94Å; L147-D151 HydrophobicContact CD1-CB 4.44Å; L147-D151 HydrophobicContact CD2-CB 4.35Å; L147-D151 HydrophobicContact CG-CB 4.48Å; L147-L152 HydrophobicContact CB-CD2 4.07Å; L147-L152 HydrophobicContact CB-CG 4.37Å; L147-L155 HydrophobicContact CD1-CD1 3.19Å; L147-L155 HydrophobicContact CD1-CG 4.19Å
148	F	84.5	Confident	91	Very high	74 Å²	74	68.3 Å²	68.3	33%	0.325	33%	0.327	S	S	.	.			trans	-90	171.7	178.3	-65.4	-72.4	0	0	0	111.9	K150 D151 L152	F148-K150 VanDerWaalsContact C-N 3.27Å; F148-K150 PolarHBondContact O-N 3.19Å; F148-D151 PolarHBondContact O-N 2.88Å; F148-L152 WeakPolarHBondContact O-CG 3.46Å; F148-L152 PolarHBondContact O-N 2.85Å
149	E	86.3	Confident	90.9	Very high	14 Å²	14	64.4 Å²	64.4	7%	0.065	31%	0.313	C	S	.	.	H	α-helix	trans	-54.6	-39.5	-175.2	74.5	-63.1	150.8	0	0	113.4	D151 C153 W172 L175 F212 W234	E149-D151 VanDerWaalsContact C-N 3.35Å; E149-C153 WeakPolarHBondContact O-CB 3.48Å; E149-C153 PolarHBondContact O-N 3.44Å; E149-C153 PolarHBondContact O-SG 3.01Å; E149-W172 HydrophobicContact CB-CH2 4.04Å; E149-W172 HydrophobicContact CB-CZ3 4.18Å; E149-L175 HydrophobicContact CB-CD2 4.33Å; E149-F212 HydrophobicContact CB-CD1 4.25Å; E149-F212 HydrophobicContact CB-CE1 3.59Å; E149-F212 HydrophobicContact CB-CZ 3.93Å; E149-F212 HydrophobicContact CG-CE1 3.69Å; E149-F212 HydrophobicContact CG-CZ 4.2Å; E149-W234 HydrophobicContact CG-CZ2 4.26Å
150	K	86.6	Confident	90.9	Very high	111 Å²	111	71.7 Å²	71.7	48%	0.483	34%	0.336	S	S	.	.	H	α-helix	trans	-66.7	-40	179	-77.7	173.6	-173.7	176	0	110.9	F148 C153 R154	F148-K150 VanDerWaalsContact C-N 3.27Å; F148-K150 PolarHBondContact O-N 3.19Å; K150-C153 PolarHBondContact O-N 2.91Å; K150-R154 WeakPolarHBondContact O-CB 3.47Å; K150-R154 VanDerWaalsContact O-CG 3.22Å; K150-R154 WeakPolarHBondContact O-CG 3.21Å; K150-R154 PolarHBondContact O-N 3.13Å
151	D	91.2	Very high	91	Very high	52 Å²	52	74.8 Å²	74.8	28%	0.278	35%	0.347	S	S	.	.	H	α-helix	trans	-72	-44.3	179.1	-60.5	-41.1	0	0	0	110.6	L147 F148 E149 C153 R154 L155	L147-D151 HydrophobicContact CB-CB 3.94Å; L147-D151 HydrophobicContact CD1-CB 4.44Å; L147-D151 HydrophobicContact CD2-CB 4.35Å; L147-D151 HydrophobicContact CG-CB 4.48Å; F148-D151 PolarHBondContact O-N 2.88Å; E149-D151 VanDerWaalsContact C-N 3.35Å; D151-C153 VanDerWaalsContact C-N 3.29Å; D151-C153 PolarHBondContact O-N 2.64Å; D151-R154 CarbonylContact O-C 3.54Å; D151-R154 WeakPolarHBondContact O-CA 3.48Å; D151-R154 WeakPolarHBondContact O-CB 3.34Å; D151-R154 PolarHBondContact O-N 3.29Å; D151-R154 IonicContact OD1-NH1 3.49Å; D151-R154 PolarHBondContact OD1-NH1 2.64Å; D151-L155 WeakPolarHBondContact O-CB 3.43Å; D151-L155 VanDerWaalsContact O-CG 3.26Å; D151-L155 WeakPolarHBondContact O-CG 3.33Å; D151-L155 PolarHBondContact O-N 3.28Å
152	L	92.3	Very high	91	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-57.3	-42.7	172.6	-65.4	-178.5	0	0	0	111.8	F144 L147 F148 L155 S156 S166 L171 W172 L175	F144-L152 HydrophobicContact CB-CD2 3.95Å; F144-L152 HydrophobicContact CG-CD2 4.43Å; L147-L152 HydrophobicContact CB-CD2 4.07Å; L147-L152 HydrophobicContact CB-CG 4.37Å; F148-L152 WeakPolarHBondContact O-CG 3.46Å; F148-L152 PolarHBondContact O-N 2.85Å; L152-L155 HydrophobicContact CD2-CD1 4.3Å; L152-L155 PolarHBondContact O-N 2.83Å; L152-S156 PolarHBondContact O-N 3.01Å; L152-S166 WeakPolarHBondContact O-CB 3.42Å; L152-L171 HydrophobicContact CD1-CD2 4Å; L152-L171 HydrophobicContact CD1-CG 4.18Å; L152-L171 HydrophobicContact CD2-CD2 3.82Å; L152-W172 HydrophobicContact CB-CZ2 4.03Å; L152-W172 HydrophobicContact CD1-CZ2 4.12Å; L152-L175 HydrophobicContact CD1-CD2 3.86Å
153	C	90.6	Very high	91	Very high	54 Å²	54	72.7 Å²	72.7	37%	0.365	33%	0.334	S	S	.	.	H	α-helix	trans	-63.8	-40	173.9	-71.1	0	0	0	0	112.3	E149 K150 D151 S156	E149-C153 WeakPolarHBondContact O-CB 3.48Å; E149-C153 PolarHBondContact O-N 3.44Å; E149-C153 PolarHBondContact O-SG 3.01Å; K150-C153 PolarHBondContact O-N 2.91Å; D151-C153 VanDerWaalsContact C-N 3.29Å; D151-C153 PolarHBondContact O-N 2.64Å; C153-S156 PolarHBondContact O-N 2.84Å; C153-S156 PolarHBondContact O-OG 3.2Å
154	R	93.2	Very high	91.1	Very high	148 Å²	148	75.8 Å²	75.8	56%	0.558	34%	0.341	S	S	*	.	H	α-helix	trans	-65.3	-46.5	175.7	-74.5	165.2	174.9	176	-5.6	111.8	K150 D151 S156 R157	K150-R154 WeakPolarHBondContact O-CB 3.47Å; K150-R154 VanDerWaalsContact O-CG 3.22Å; K150-R154 WeakPolarHBondContact O-CG 3.21Å; K150-R154 PolarHBondContact O-N 3.13Å; D151-R154 CarbonylContact O-C 3.54Å; D151-R154 WeakPolarHBondContact O-CA 3.48Å; D151-R154 WeakPolarHBondContact O-CB 3.34Å; D151-R154 PolarHBondContact O-N 3.29Å; D151-R154 IonicContact OD1-NH1 3.49Å; D151-R154 PolarHBondContact OD1-NH1 2.64Å; R154-S156 PolarHBondContact O-N 3.27Å; R154-R157 WeakPolarHBondContact O-CB 3.41Å; R154-R157 PolarHBondContact O-N 3.22Å
155	L	92.2	Very high	91.1	Very high	25 Å²	25	75.9 Å²	75.9	13%	0.131	34%	0.341	C	S	.	.	H	α-helix	trans	-57.9	-35.4	176.1	-69.3	178.6	0	0	0	112.1	F144 L147 D151 L152 R157 V158 W162	F144-L155 HydrophobicContact CD1-CD1 3.54Å; F144-L155 HydrophobicContact CD2-CD1 4.15Å; F144-L155 HydrophobicContact CE1-CD1 3.48Å; F144-L155 VanDerWaalsContact CE1-CD1 3.48Å; F144-L155 HydrophobicContact CE1-CD2 4.39Å; F144-L155 HydrophobicContact CE2-CD1 4.07Å; F144-L155 HydrophobicContact CG-CD1 3.91Å; F144-L155 HydrophobicContact CZ-CD1 3.76Å; L147-L155 HydrophobicContact CD1-CD1 3.19Å; L147-L155 HydrophobicContact CD1-CG 4.19Å; D151-L155 WeakPolarHBondContact O-CB 3.43Å; D151-L155 VanDerWaalsContact O-CG 3.26Å; D151-L155 WeakPolarHBondContact O-CG 3.33Å; D151-L155 PolarHBondContact O-N 3.28Å; L152-L155 HydrophobicContact CD2-CD1 4.3Å; L152-L155 PolarHBondContact O-N 2.83Å; L155-R157 PolarHBondContact O-N 3.26Å; L155-V158 WeakPolarHBondContact O-CB 3.15Å; L155-V158 PolarHBondContact O-N 3.41Å; L155-W162 HydrophobicContact CB-CE3 4.21Å; L155-W162 HydrophobicContact CD2-CE3 3.41Å; L155-W162 VanDerWaalsContact CD2-CE3 3.41Å; L155-W162 HydrophobicContact CD2-CH2 4.39Å; L155-W162 HydrophobicContact CD2-CZ3 3.25Å; L155-W162 HydrophobicContact CG-CE3 4.35Å; L155-W162 WeakPolarHBondContact O-CB 3.37Å
156	S	92	Very high	91.2	Very high	20 Å²	20	74.8 Å²	74.8	14%	0.14	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-14.7	178.9	82.1	0	0	0	0	114	L152 C153 R154 N163 S166	L152-S156 PolarHBondContact O-N 3.01Å; C153-S156 PolarHBondContact O-N 2.84Å; C153-S156 PolarHBondContact O-OG 3.2Å; R154-S156 PolarHBondContact O-N 3.27Å; S156-N163 WeakPolarHBondContact O-CB 3.09Å; S156-N163 PolarHBondContact O-ND2 3.23Å; S156-S166 WeakPolarHBondContact CA-OG 3.29Å; S156-S166 VanDerWaalsContact CB-OG 3.23Å; S156-S166 WeakPolarHBondContact CB-OG 3.2Å
157	R	93.7	Very high	91.4	Very high	201 Å²	201	70.2 Å²	70.2	76%	0.758	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-2.7	178.6	-55.9	-173.9	-62.3	175.8	2.6	114	R154 L155	R154-R157 WeakPolarHBondContact O-CB 3.41Å; R154-R157 PolarHBondContact O-N 3.22Å; L155-R157 PolarHBondContact O-N 3.26Å
158	V	91.7	Very high	91.6	Very high	86 Å²	86	70.5 Å²	70.5	52%	0.521	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-56	-174	176	0	0	0	0	111.7	L155 W162	L155-V158 WeakPolarHBondContact O-CB 3.15Å; L155-V158 PolarHBondContact O-N 3.41Å; V158-W162 HydrophobicContact CB-CB 4.32Å; V158-W162 HydrophobicContact CB-CD2 4.04Å; V158-W162 HydrophobicContact CB-CE3 3.56Å; V158-W162 HydrophobicContact CB-CG 4.4Å; V158-W162 HydrophobicContact CB-CZ3 4.17Å; V158-W162 HydrophobicContact CG1-CD2 3.92Å; V158-W162 HydrophobicContact CG1-CE3 3.65Å; V158-W162 HydrophobicContact CG1-CG 4.46Å; V158-W162 HydrophobicContact CG1-CH2 4.48Å; V158-W162 HydrophobicContact CG1-CZ3 3.95Å; V158-W162 HydrophobicContact CG2-CE3 3.62Å; V158-W162 HydrophobicContact CG2-CZ3 3.89Å
159	C	91.1	Very high	92	Very high	53 Å²	53	67.9 Å²	67.9	36%	0.358	31%	0.308	S	S	.	.			trans	-156.7	170.1	176.1	76.2	0	0	0	0	110.6	R161 W162 N163	C159-R161 VanDerWaalsContact C-N 3.28Å; C159-R161 PolarHBondContact O-N 3.03Å; C159-W162 PolarHBondContact O-N 3.27Å; C159-W162 PolarHBondContact SG-N 3.38Å; C159-W162 VanDerWaalsContact SG-N 3.43Å; C159-N163 WeakPolarHBondContact O-CB 3.31Å; C159-N163 PolarHBondContact O-N 2.98Å
160	R	91.5	Very high	92.3	Very high	236 Å²	236	74.8 Å²	74.8	89%	0.891	34%	0.337	S	S	*	.	H	α-helix	trans	-57.7	-38.7	179.8	-65.9	-176.4	-172.2	164.8	1.9	112.9	N163 R164	R160-N163 PolarHBondContact O-N 2.66Å; R160-R164 PolarHBondContact O-N 2.7Å
161	R	93.2	Very high	92.6	Very high	66 Å²	66	70.1 Å²	70.1	25%	0.249	32%	0.318	C	S	.	.	H	α-helix	trans	-62.9	-47.4	178	-177.5	-180	179.5	-158	-0.9	111	D133 M135 D137 C159 R164 L165	D133-R161 PolarHBondContact O-NH1 3.34Å; M135-R161 PolarHBondContact O-NH1 3.34Å; M135-R161 PolarHBondContact O-NH2 2.91Å; D137-R161 IonicContact OD1-CZ 3.26Å; D137-R161 VanDerWaalsContact OD1-CZ 3.26Å; D137-R161 IonicContact OD1-NE 2.91Å; D137-R161 PolarHBondContact OD1-NE 2.66Å; D137-R161 IonicContact OD1-NH2 2.7Å; D137-R161 PolarHBondContact OD1-NH2 3.48Å; C159-R161 VanDerWaalsContact C-N 3.28Å; C159-R161 PolarHBondContact O-N 3.03Å; R161-R164 PolarHBondContact O-N 2.83Å; R161-L165 HydrophobicContact CG-CD1 4.11Å; R161-L165 WeakPolarHBondContact O-CG 3.44Å; R161-L165 PolarHBondContact O-N 3.22Å
162	W	93.1	Very high	92.7	Very high	30 Å²	30	67.8 Å²	67.8	11%	0.114	31%	0.305	C	S	.	.	H	α-helix	trans	-70.5	-33.8	-180	-71.3	31.2	0	0	0	111.7	I132 F144 L155 V158 C159 L165 S166	I132-W162 HydrophobicContact CD1-CH2 3.64Å; I132-W162 HydrophobicContact CD1-CZ2 3.55Å; I132-W162 HydrophobicContact CG1-CH2 4.48Å; I132-W162 HydrophobicContact CG1-CZ2 3.89Å; I132-W162 HydrophobicContact CG2-CZ2 4.32Å; F144-W162 HydrophobicContact CZ-CB 4.44Å; F144-W162 HydrophobicContact CZ-CD2 4.07Å; F144-W162 HydrophobicContact CZ-CE3 4.25Å; F144-W162 HydrophobicContact CZ-CG 4.16Å; L155-W162 HydrophobicContact CB-CE3 4.21Å; L155-W162 HydrophobicContact CD2-CE3 3.41Å; L155-W162 VanDerWaalsContact CD2-CE3 3.41Å; L155-W162 HydrophobicContact CD2-CH2 4.39Å; L155-W162 HydrophobicContact CD2-CZ3 3.25Å; L155-W162 HydrophobicContact CG-CE3 4.35Å; L155-W162 WeakPolarHBondContact O-CB 3.37Å; V158-W162 HydrophobicContact CB-CB 4.32Å; V158-W162 HydrophobicContact CB-CD2 4.04Å; V158-W162 HydrophobicContact CB-CE3 3.56Å; V158-W162 HydrophobicContact CB-CG 4.4Å; V158-W162 HydrophobicContact CB-CZ3 4.17Å; V158-W162 HydrophobicContact CG1-CD2 3.92Å; V158-W162 HydrophobicContact CG1-CE3 3.65Å; V158-W162 HydrophobicContact CG1-CG 4.46Å; V158-W162 HydrophobicContact CG1-CH2 4.48Å; V158-W162 HydrophobicContact CG1-CZ3 3.95Å; V158-W162 HydrophobicContact CG2-CE3 3.62Å; V158-W162 HydrophobicContact CG2-CZ3 3.89Å; C159-W162 PolarHBondContact O-N 3.27Å; C159-W162 PolarHBondContact SG-N 3.38Å; C159-W162 VanDerWaalsContact SG-N 3.43Å; W162-L165 PolarHBondContact O-N 2.89Å; W162-S166 WeakPolarHBondContact O-CB 3.35Å; W162-S166 PolarHBondContact O-N 3.46Å; W162-S166 PolarHBondContact O-OG 3.38Å
163	N	92.9	Very high	92.8	Very high	70 Å²	70	70.4 Å²	70.4	37%	0.374	32%	0.317	S	S	.	.	H	α-helix	trans	-57.6	-47.4	169.6	-171.2	-79	0	0	0	111.8	S156 C159 R160 S166 N167	S156-N163 WeakPolarHBondContact O-CB 3.09Å; S156-N163 PolarHBondContact O-ND2 3.23Å; C159-N163 WeakPolarHBondContact O-CB 3.31Å; C159-N163 PolarHBondContact O-N 2.98Å; R160-N163 PolarHBondContact O-N 2.66Å; N163-S166 PolarHBondContact O-OG 3.03Å; N163-N167 VanDerWaalsContact O-CB 3.29Å; N163-N167 WeakPolarHBondContact O-CB 3.37Å; N163-N167 VanDerWaalsContact O-CG 3.3Å; N163-N167 PolarHBondContact O-N 3.36Å; N163-N167 PolarHBondContact O-ND2 2.77Å; N163-N167 PolarHBondContact OD1-ND2 3.35Å
164	R	93.6	Very high	92.8	Very high	141 Å²	141	73.3 Å²	73.3	53%	0.532	32%	0.321	S	S	.	.	H	α-helix	trans	-60.9	-50	176.3	-179.3	179.3	58.2	94.3	1.9	111.9	D137 R160 R161 N167 D168	D137-R164 IonicContact OD1-NH2 3.64Å; D137-R164 IonicContact OD2-CZ 3.35Å; D137-R164 IonicContact OD2-NH1 3.3Å; D137-R164 PolarHBondContact OD2-NH1 3.49Å; D137-R164 VanDerWaalsContact OD2-NH1 3.12Å; D137-R164 IonicContact OD2-NH2 2.66Å; D137-R164 PolarHBondContact OD2-NH2 2.63Å; R160-R164 PolarHBondContact O-N 2.7Å; R161-R164 PolarHBondContact O-N 2.83Å; R164-N167 PolarHBondContact O-N 3.45Å; R164-D168 PolarHBondContact O-N 2.87Å
165	L	93.3	Very high	92.7	Very high	5 Å²	5	66.9 Å²	66.9	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-70.5	-41.1	-175	-65.4	174.7	0	0	0	113.2	D137 L140 L141 F144 R161 W162 N167 D168	D137-L165 HydrophobicContact CB-CD1 4.4Å; D137-L165 HydrophobicContact CB-CD2 3.86Å; L140-L165 HydrophobicContact CB-CD1 3.88Å; L140-L165 HydrophobicContact CD1-CD1 3.67Å; L140-L165 HydrophobicContact CG-CD1 4.44Å; L141-L165 HydrophobicContact CD1-CD2 4.19Å; L141-L165 HydrophobicContact CD2-CB 4.25Å; L141-L165 HydrophobicContact CD2-CD2 4.16Å; L141-L165 HydrophobicContact CG-CD2 4.01Å; F144-L165 HydrophobicContact CD2-CB 3.95Å; F144-L165 HydrophobicContact CE2-CB 3.6Å; R161-L165 HydrophobicContact CG-CD1 4.11Å; R161-L165 WeakPolarHBondContact O-CG 3.44Å; R161-L165 PolarHBondContact O-N 3.22Å; W162-L165 PolarHBondContact O-N 2.89Å; L165-N167 PolarHBondContact O-N 3.38Å; L165-D168 VanDerWaalsContact O-CB 3.31Å; L165-D168 WeakPolarHBondContact O-CB 3.4Å; L165-D168 PolarHBondContact O-N 3.26Å; L165-D168 VanDerWaalsContact O-N 3.14Å
166	S	93.6	Very high	92.6	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-68	-13.9	175.3	60.7	0	0	0	0	113.1	L152 S156 W162 N163 W172	L152-S166 WeakPolarHBondContact O-CB 3.42Å; S156-S166 WeakPolarHBondContact CA-OG 3.29Å; S156-S166 VanDerWaalsContact CB-OG 3.23Å; S156-S166 WeakPolarHBondContact CB-OG 3.2Å; W162-S166 WeakPolarHBondContact O-CB 3.35Å; W162-S166 PolarHBondContact O-N 3.46Å; W162-S166 PolarHBondContact O-OG 3.38Å; N163-S166 PolarHBondContact O-OG 3.03Å; S166-W172 PolarHBondContact O-NE1 3.28Å
167	N	93.1	Very high	92.5	Very high	41 Å²	41	68.6 Å²	68.6	22%	0.219	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	13.4	174.6	-73.7	-44.6	0	0	0	113.3	N163 R164 L165 N206 K209	N163-N167 VanDerWaalsContact O-CB 3.29Å; N163-N167 WeakPolarHBondContact O-CB 3.37Å; N163-N167 VanDerWaalsContact O-CG 3.3Å; N163-N167 PolarHBondContact O-N 3.36Å; N163-N167 PolarHBondContact O-ND2 2.77Å; N163-N167 PolarHBondContact OD1-ND2 3.35Å; R164-N167 PolarHBondContact O-N 3.45Å; L165-N167 PolarHBondContact O-N 3.38Å; N167-N206 PolarHBondContact O-ND2 3.3Å; N167-K209 WeakPolarHBondContact OD1-CD 3.36Å; N167-K209 WeakPolarHBondContact OD1-CE 3.24Å; N167-K209 PolarHBondContact OD1-NZ 2.65Å
168	D	93.7	Very high	92	Very high	54 Å²	54	63.9 Å²	63.9	29%	0.289	29%	0.288	S	S	.	.			trans	-60.5	137.6	-179.8	178	72.6	0	0	0	112.8	L141 R164 L165 K170 L171 W172 N206	L141-D168 HydrophobicContact CD2-CB 3.74Å; R164-D168 PolarHBondContact O-N 2.87Å; L165-D168 VanDerWaalsContact O-CB 3.31Å; L165-D168 WeakPolarHBondContact O-CB 3.4Å; L165-D168 PolarHBondContact O-N 3.26Å; L165-D168 VanDerWaalsContact O-N 3.14Å; D168-K170 WeakPolarHBondContact OD2-CA 3.35Å; D168-K170 WeakPolarHBondContact OD2-CB 3.49Å; D168-K170 PolarHBondContact OD2-N 3.26Å; D168-L171 HydrophobicContact CB-CB 3.88Å; D168-L171 WeakPolarHBondContact O-CB 3.38Å; D168-L171 PolarHBondContact O-N 2.82Å; D168-L171 PolarHBondContact OD2-N 3.12Å; D168-W172 PolarHBondContact O-N 2.71Å; D168-W172 VanDerWaalsContact O-N 3.12Å; D168-N206 PolarHBondContact O-ND2 3.37Å
169	V	92.6	Very high	91.6	Very high	18 Å²	18	60.3 Å²	60.3	11%	0.109	27%	0.266	C	S	.	.	H	α-helix	trans	-73	-35.5	-171.6	-168.9	0	0	0	0	112.3	E173 R199 A205 N206	V169-E173 VanDerWaalsContact O-CB 3.26Å; V169-E173 WeakPolarHBondContact O-CB 3.42Å; V169-E173 PolarHBondContact O-N 2.83Å; V169-R199 VanDerWaalsContact CG1-NH1 3.27Å; V169-A205 WeakPolarHBondContact CG2-O 3.17Å; V169-N206 HydrophobicContact CG2-CB 4.21Å
170	K	92.6	Very high	91.3	Very high	159 Å²	159	58 Å²	58	69%	0.691	25%	0.25	S	C	*	.	H	α-helix	trans	-72.1	-36.4	177.7	-67	-176.5	177	-178.7	0	111.1	D168 E173 R174	D168-K170 WeakPolarHBondContact OD2-CA 3.35Å; D168-K170 WeakPolarHBondContact OD2-CB 3.49Å; D168-K170 PolarHBondContact OD2-N 3.26Å; K170-E173 PolarHBondContact O-N 2.93Å; K170-R174 WeakPolarHBondContact O-CB 3.48Å; K170-R174 PolarHBondContact O-N 2.85Å
171	L	93.6	Very high	91	Very high	13 Å²	13	51.6 Å²	51.6	7%	0.068	23%	0.23	C	C	.	.	H	α-helix	trans	-56.9	-52.5	172.8	176.9	66.1	0	0	0	111.1	F144 S145 L152 D168 R174 L175	F144-L171 HydrophobicContact CB-CD1 4.48Å; F144-L171 HydrophobicContact CB-CD2 4.06Å; S145-L171 VanDerWaalsContact CA-CD1 3.41Å; L152-L171 HydrophobicContact CD1-CD2 4Å; L152-L171 HydrophobicContact CD1-CG 4.18Å; L152-L171 HydrophobicContact CD2-CD2 3.82Å; D168-L171 HydrophobicContact CB-CB 3.88Å; D168-L171 WeakPolarHBondContact O-CB 3.38Å; D168-L171 PolarHBondContact O-N 2.82Å; D168-L171 PolarHBondContact OD2-N 3.12Å; L171-R174 PolarHBondContact O-N 3.3Å; L171-L175 WeakPolarHBondContact O-CB 3.28Å; L171-L175 PolarHBondContact O-N 3.46Å
172	W	93.8	Very high	90.8	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.015	22%	0.219	C	C	.	.	H	α-helix	trans	-69.9	-33.8	178.9	-78.4	92	0	0	0	113.1	E149 L152 S166 D168 L175 Y176 W208 K209 F212	E149-W172 HydrophobicContact CB-CH2 4.04Å; E149-W172 HydrophobicContact CB-CZ3 4.18Å; L152-W172 HydrophobicContact CB-CZ2 4.03Å; L152-W172 HydrophobicContact CD1-CZ2 4.12Å; S166-W172 PolarHBondContact O-NE1 3.28Å; D168-W172 PolarHBondContact O-N 2.71Å; D168-W172 VanDerWaalsContact O-N 3.12Å; W172-L175 HydrophobicContact CE3-CD2 4.12Å; W172-L175 HydrophobicContact CZ3-CD2 4.06Å; W172-Y176 WeakPolarHBondContact O-CB 3.36Å; W172-Y176 PolarHBondContact O-N 2.92Å; W172-W208 HydrophobicContact CB-CB 3.84Å; W172-K209 HydrophobicContact CB-CB 4.38Å; W172-K209 HydrophobicContact CD2-CB 3.58Å; W172-K209 HydrophobicContact CD2-CD 4.22Å; W172-K209 HydrophobicContact CD2-CG 3.72Å; W172-K209 HydrophobicContact CE3-CB 3.9Å; W172-K209 HydrophobicContact CE3-CG 3.94Å; W172-K209 HydrophobicContact CG-CB 3.79Å; W172-K209 HydrophobicContact CG-CG 4.37Å; W172-K209 HydrophobicContact CH2-CD 4.34Å; W172-K209 HydrophobicContact CH2-CG 3.93Å; W172-K209 HydrophobicContact CZ2-CD 3.7Å; W172-K209 HydrophobicContact CZ2-CG 3.73Å; W172-K209 HydrophobicContact CZ3-CB 4.48Å; W172-K209 HydrophobicContact CZ3-CG 4.03Å; W172-F212 HydrophobicContact CE3-CB 4.13Å; W172-F212 HydrophobicContact CE3-CD2 4.27Å; W172-F212 HydrophobicContact CE3-CG 4.16Å; W172-F212 HydrophobicContact CZ3-CB 4.02Å; W172-F212 HydrophobicContact CZ3-CD1 4.02Å; W172-F212 HydrophobicContact CZ3-CD2 4.17Å; W172-F212 AromaticContact CZ3-CG 3.8Å; W172-F212 HydrophobicContact CZ3-CG 3.8Å
173	E	93.6	Very high	90.6	Very high	55 Å²	55	50.3 Å²	50.3	26%	0.257	23%	0.23	S	C	.	.	H	α-helix	trans	-59.7	-49.6	172.6	177	169.4	175.9	0	0	111.7	V169 K170 Y176 K177 W208	V169-E173 VanDerWaalsContact O-CB 3.26Å; V169-E173 WeakPolarHBondContact O-CB 3.42Å; V169-E173 PolarHBondContact O-N 2.83Å; K170-E173 PolarHBondContact O-N 2.93Å; E173-Y176 PolarHBondContact O-N 2.75Å; E173-K177 HydrophobicContact CG-CD 4.05Å; E173-K177 WeakPolarHBondContact O-CB 3.47Å; E173-K177 WeakPolarHBondContact O-CG 3.39Å; E173-K177 PolarHBondContact O-N 3.11Å; E173-K177 IonicContact OE1-NZ 2.72Å; E173-K177 PolarHBondContact OE1-NZ 3.27Å; E173-W208 HydrophobicContact CB-CD2 3.91Å; E173-W208 HydrophobicContact CB-CG 3.93Å; E173-W208 HydrophobicContact CB-CZ2 4.19Å; E173-W208 HydrophobicContact CG-CD2 4.08Å; E173-W208 HydrophobicContact CG-CH2 4.02Å; E173-W208 HydrophobicContact CG-CZ2 3.51Å
174	R	91.2	Very high	90.6	Very high	115 Å²	115	48 Å²	48	43%	0.434	22%	0.218	S	C	.	.	H	α-helix	trans	-60.7	-51.1	177.7	179.3	-176.9	174	167.9	6	110.8	K170 L171 Y176 K177 E178	K170-R174 WeakPolarHBondContact O-CB 3.48Å; K170-R174 PolarHBondContact O-N 2.85Å; L171-R174 PolarHBondContact O-N 3.3Å; R174-Y176 VanDerWaalsContact C-N 3.31Å; R174-Y176 PolarHBondContact O-N 2.94Å; R174-K177 PolarHBondContact O-N 3.36Å; R174-E178 HydrophobicContact CG-CG 4.37Å; R174-E178 WeakPolarHBondContact CG-OE1 3.32Å; R174-E178 IonicContact CZ-OE1 3.49Å; R174-E178 IonicContact NE-OE1 3.38Å; R174-E178 PolarHBondContact NE-OE1 3.27Å; R174-E178 IonicContact NH2-OE1 2.88Å; R174-E178 PolarHBondContact NH2-OE1 2.98Å; R174-E178 WeakPolarHBondContact O-CB 3.49Å; R174-E178 WeakPolarHBondContact O-CG 3.31Å; R174-E178 PolarHBondContact O-N 2.84Å
175	L	89.7	Confident	90.5	Very high	13 Å²	13	41.2 Å²	41.2	7%	0.068	19%	0.193	C	C	.	.	H	α-helix	trans	-58.7	-44.7	178.7	178.6	63.7	0	0	0	111.2	E149 L152 L171 W172 E178 V179 F212	E149-L175 HydrophobicContact CB-CD2 4.33Å; L152-L175 HydrophobicContact CD1-CD2 3.86Å; L171-L175 WeakPolarHBondContact O-CB 3.28Å; L171-L175 PolarHBondContact O-N 3.46Å; W172-L175 HydrophobicContact CE3-CD2 4.12Å; W172-L175 HydrophobicContact CZ3-CD2 4.06Å; L175-E178 PolarHBondContact O-N 2.8Å; L175-V179 HydrophobicContact CD1-CG2 3.83Å; L175-V179 HydrophobicContact CG-CG2 4.3Å; L175-V179 VanDerWaalsContact O-CB 3.27Å; L175-V179 WeakPolarHBondContact O-CB 3.35Å; L175-V179 WeakPolarHBondContact O-CG2 3.5Å; L175-V179 PolarHBondContact O-N 3.42Å; L175-F212 HydrophobicContact CD2-CE2 4.09Å; L175-F212 HydrophobicContact CD2-CZ 4.45Å; L175-F212 HydrophobicContact CG-CD2 4.48Å; L175-F212 HydrophobicContact CG-CE2 3.85Å; L175-F212 HydrophobicContact CG-CZ 4.5Å
176	Y	90.5	Very high	90.6	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63	-45.5	179.7	-175.8	-86.4	0	0	0	112.3	W172 E173 R174 V179 F180 Y182 P185 L186 W208 S211 F212 L215	W172-Y176 WeakPolarHBondContact O-CB 3.36Å; W172-Y176 PolarHBondContact O-N 2.92Å; E173-Y176 PolarHBondContact O-N 2.75Å; R174-Y176 VanDerWaalsContact C-N 3.31Å; R174-Y176 PolarHBondContact O-N 2.94Å; Y176-V179 PolarHBondContact O-N 3.38Å; Y176-F180 AromaticContact CD2-CD2 3.76Å; Y176-F180 HydrophobicContact CD2-CD2 3.76Å; Y176-F180 HydrophobicContact CD2-CE2 4.13Å; Y176-F180 AromaticContact CE2-CD2 3.91Å; Y176-F180 HydrophobicContact CE2-CD2 3.91Å; Y176-F180 HydrophobicContact CE2-CE2 4.32Å; Y176-F180 HydrophobicContact CG-CD2 4.12Å; Y176-F180 PolarHBondContact O-N 3.34Å; Y176-Y182 HydrophobicContact CE1-CD2 4.1Å; Y176-Y182 HydrophobicContact CE1-CG 4.42Å; Y176-P185 WeakPolarHBondContact OH-CA 3.25Å; Y176-L186 PolarHBondContact OH-N 3.29Å; Y176-W208 AromaticContact CD1-CE3 3.36Å; Y176-W208 HydrophobicContact CD1-CE3 3.36Å; Y176-W208 AromaticContact CD1-CZ3 3.41Å; Y176-W208 HydrophobicContact CD1-CZ3 3.41Å; Y176-W208 VanDerWaalsContact CD1-CZ3 3.41Å; Y176-W208 HydrophobicContact CD2-CE3 4.39Å; Y176-W208 AromaticContact CE1-CE3 3.82Å; Y176-W208 HydrophobicContact CE1-CE3 3.82Å; Y176-W208 AromaticContact CE1-CZ3 3.71Å; Y176-W208 HydrophobicContact CE1-CZ3 3.71Å; Y176-W208 AromaticContact CG-CE3 3.66Å; Y176-W208 HydrophobicContact CG-CE3 3.66Å; Y176-W208 HydrophobicContact CG-CZ3 4.18Å; Y176-S211 VanDerWaalsContact CE2-OG 3.25Å; Y176-S211 WeakPolarHBondContact CE2-OG 3.42Å; Y176-S211 PolarHBondContact OH-OG 3.37Å; Y176-F212 HydrophobicContact CD2-CB 4Å; Y176-F212 HydrophobicContact CD2-CD2 4.02Å; Y176-F212 HydrophobicContact CD2-CG 4.46Å; Y176-L215 HydrophobicContact CD2-CD1 4.37Å; Y176-L215 HydrophobicContact CE2-CD1 3.4Å; Y176-L215 HydrophobicContact CE2-CG 4.46Å; Y176-L215 WeakPolarHBondContact OH-CD1 3.4Å
177	K	89.5	Confident	90.5	Very high	81 Å²	81	43.1 Å²	43.1	35%	0.352	20%	0.2	S	C	.	.	H	α-helix	trans	-65	-41.4	175.9	-76.8	173.5	175.6	177.1	0	111.9	E173 R174 V179 E181 Y182	E173-K177 HydrophobicContact CG-CD 4.05Å; E173-K177 WeakPolarHBondContact O-CB 3.47Å; E173-K177 WeakPolarHBondContact O-CG 3.39Å; E173-K177 PolarHBondContact O-N 3.11Å; E173-K177 IonicContact OE1-NZ 2.72Å; E173-K177 PolarHBondContact OE1-NZ 3.27Å; R174-K177 PolarHBondContact O-N 3.36Å; K177-V179 VanDerWaalsContact C-N 3.3Å; K177-V179 PolarHBondContact O-N 3.07Å; K177-E181 WeakPolarHBondContact O-CA 3.42Å; K177-E181 PolarHBondContact O-N 3.41Å; K177-Y182 VanDerWaalsContact CG-O 3.31Å; K177-Y182 WeakPolarHBondContact CG-O 3.26Å
178	E	84.7	Confident	90.4	Very high	102 Å²	102	45 Å²	45	48%	0.477	20%	0.204	S	C	.	.	H	α-helix	trans	-64.7	-36.8	175	-74.5	177.3	-176.8	0	0	111.5	R174 L175 Y229	R174-E178 HydrophobicContact CG-CG 4.37Å; R174-E178 WeakPolarHBondContact CG-OE1 3.32Å; R174-E178 IonicContact CZ-OE1 3.49Å; R174-E178 IonicContact NE-OE1 3.38Å; R174-E178 PolarHBondContact NE-OE1 3.27Å; R174-E178 IonicContact NH2-OE1 2.88Å; R174-E178 PolarHBondContact NH2-OE1 2.98Å; R174-E178 WeakPolarHBondContact O-CB 3.49Å; R174-E178 WeakPolarHBondContact O-CG 3.31Å; R174-E178 PolarHBondContact O-N 2.84Å; L175-E178 PolarHBondContact O-N 2.8Å; E178-Y229 PolarHBondContact O-OH 3.26Å
179	V	82.7	Confident	90.2	Very high	11 Å²	11	47.8 Å²	47.8	7%	0.067	21%	0.211	C	C	.	.	H	α-helix	trans	-79.2	-51.1	-175.7	174.2	0	0	0	0	112.8	L175 Y176 K177 F212 R222 Y229	L175-V179 HydrophobicContact CD1-CG2 3.83Å; L175-V179 HydrophobicContact CG-CG2 4.3Å; L175-V179 VanDerWaalsContact O-CB 3.27Å; L175-V179 WeakPolarHBondContact O-CB 3.35Å; L175-V179 WeakPolarHBondContact O-CG2 3.5Å; L175-V179 PolarHBondContact O-N 3.42Å; Y176-V179 PolarHBondContact O-N 3.38Å; K177-V179 VanDerWaalsContact C-N 3.3Å; K177-V179 PolarHBondContact O-N 3.07Å; V179-F212 HydrophobicContact CB-CE2 3.91Å; V179-F212 HydrophobicContact CB-CZ 4.37Å; V179-F212 HydrophobicContact CG1-CE2 4.06Å; V179-F212 HydrophobicContact CG1-CZ 4.11Å; V179-F212 HydrophobicContact CG2-CE2 3.9Å; V179-F212 HydrophobicContact CG2-CZ 4.16Å; V179-R222 PolarHBondContact O-NH2 3.44Å; V179-Y229 WeakPolarHBondContact CA-OH 3.47Å; V179-Y229 HydrophobicContact CG1-CE1 3.94Å; V179-Y229 PolarHBondContact O-OH 2.79Å
180	F	85.1	Confident	89.9	Confident	3 Å²	3	49 Å²	49	1%	0.013	22%	0.222	C	C	.	.	H	α-helix	trans	-108.7	-10.8	-170.3	-57.7	-67.1	0	0	0	113.5	Y176 Y182 F212 L215 H220	Y176-F180 AromaticContact CD2-CD2 3.76Å; Y176-F180 HydrophobicContact CD2-CD2 3.76Å; Y176-F180 HydrophobicContact CD2-CE2 4.13Å; Y176-F180 AromaticContact CE2-CD2 3.91Å; Y176-F180 HydrophobicContact CE2-CD2 3.91Å; Y176-F180 HydrophobicContact CE2-CE2 4.32Å; Y176-F180 HydrophobicContact CG-CD2 4.12Å; Y176-F180 PolarHBondContact O-N 3.34Å; F180-Y182 HydrophobicContact CB-CD1 4.29Å; F180-Y182 HydrophobicContact CB-CD2 3.8Å; F180-Y182 HydrophobicContact CB-CE1 4.21Å; F180-Y182 HydrophobicContact CB-CE2 3.74Å; F180-Y182 HydrophobicContact CB-CG 4.05Å; F180-Y182 HydrophobicContact CG-CE2 4.35Å; F180-Y182 WeakPolarHBondContact O-CD1 3.34Å; F180-Y182 WeakPolarHBondContact O-CE1 3.15Å; F180-Y182 PolarHBondContact O-N 3.31Å; F180-Y182 VanDerWaalsContact O-N 3.13Å; F180-F212 HydrophobicContact CD2-CD2 4.26Å; F180-F212 HydrophobicContact CD2-CE2 4.32Å; F180-F212 HydrophobicContact CE2-CD1 4.35Å; F180-F212 AromaticContact CE2-CD2 3.53Å; F180-F212 HydrophobicContact CE2-CD2 3.53Å; F180-F212 HydrophobicContact CE2-CE1 4.37Å; F180-F212 AromaticContact CE2-CE2 3.56Å; F180-F212 HydrophobicContact CE2-CE2 3.56Å; F180-F212 AromaticContact CE2-CG 3.93Å; F180-F212 HydrophobicContact CE2-CG 3.93Å; F180-F212 HydrophobicContact CE2-CZ 4Å; F180-F212 HydrophobicContact CZ-CD2 4.47Å; F180-F212 HydrophobicContact CZ-CE1 4.44Å; F180-F212 HydrophobicContact CZ-CE2 4.26Å; F180-F212 HydrophobicContact CZ-CZ 4.25Å; F180-L215 HydrophobicContact CB-CD1 4.12Å; F180-L215 HydrophobicContact CD1-CB 4.27Å; F180-L215 HydrophobicContact CD1-CD1 3.83Å; F180-L215 HydrophobicContact CD2-CB 4.4Å; F180-L215 HydrophobicContact CD2-CD1 3.35Å; F180-L215 HydrophobicContact CE1-CB 3.66Å; F180-L215 HydrophobicContact CE1-CD1 4.04Å; F180-L215 HydrophobicContact CE1-CG 4.45Å; F180-L215 HydrophobicContact CE2-CB 3.78Å; F180-L215 HydrophobicContact CE2-CD1 3.56Å; F180-L215 HydrophobicContact CE2-CG 4.33Å; F180-L215 HydrophobicContact CG-CD1 3.49Å; F180-L215 VanDerWaalsContact CG-CD1 3.49Å; F180-L215 HydrophobicContact CZ-CB 3.38Å; F180-L215 HydrophobicContact CZ-CD1 3.92Å; F180-L215 HydrophobicContact CZ-CG 4.31Å; F180-H220 AromaticContact CE1-CE1 3.73Å; F180-H220 AromaticContact CE1-NE2 3.98Å
181	E	84.1	Confident	89.5	Confident	102 Å²	102	44.7 Å²	44.7	48%	0.477	20%	0.202	S	C	.	.			trans	67.5	0.7	-177.5	-56.1	156.2	-139.3	0	0	114.1	K177 R222 A282	K177-E181 WeakPolarHBondContact O-CA 3.42Å; K177-E181 PolarHBondContact O-N 3.41Å; E181-R222 IonicContact OE1-NH1 3.12Å; E181-R222 PolarHBondContact OE1-NH1 2.81Å; E181-R222 VanDerWaalsContact OE1-NH1 3.07Å; E181-A282 WeakPolarHBondContact O-CB 3.26Å
182	Y	89.3	Confident	89.1	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.008	20%	0.203	C	C	.	.			trans	-79.2	137.5	-178.7	-47	-23.2	0	0	0	111.8	Y176 K177 F180 L215 H260 A280	Y176-Y182 HydrophobicContact CE1-CD2 4.1Å; Y176-Y182 HydrophobicContact CE1-CG 4.42Å; K177-Y182 VanDerWaalsContact CG-O 3.31Å; K177-Y182 WeakPolarHBondContact CG-O 3.26Å; F180-Y182 HydrophobicContact CB-CD1 4.29Å; F180-Y182 HydrophobicContact CB-CD2 3.8Å; F180-Y182 HydrophobicContact CB-CE1 4.21Å; F180-Y182 HydrophobicContact CB-CE2 3.74Å; F180-Y182 HydrophobicContact CB-CG 4.05Å; F180-Y182 HydrophobicContact CG-CE2 4.35Å; F180-Y182 WeakPolarHBondContact O-CD1 3.34Å; F180-Y182 WeakPolarHBondContact O-CE1 3.15Å; F180-Y182 PolarHBondContact O-N 3.31Å; F180-Y182 VanDerWaalsContact O-N 3.13Å; Y182-L215 HydrophobicContact CD2-CD1 3.98Å; Y182-L215 HydrophobicContact CE2-CD1 3.65Å; Y182-L215 HydrophobicContact CE2-CD2 3.98Å; Y182-H260 AromaticContact CE1-ND1 3.83Å; Y182-H260 AromaticContact CZ-CE1 3.84Å; Y182-H260 AromaticContact CZ-ND1 3.75Å; Y182-H260 PolarHBondContact OH-CE1 3.2Å; Y182-H260 PolarHBondContact OH-ND1 3.43Å; Y182-A280 HydrophobicContact CE1-CB 3.85Å; Y182-A280 WeakPolarHBondContact CE1-O 3.31Å; Y182-A280 HydrophobicContact CE2-CB 3.69Å; Y182-A280 WeakPolarHBondContact OH-CB 3.25Å
183	D	90.2	Very high	88.9	Confident	67 Å²	67	48 Å²	48	36%	0.358	22%	0.219	S	C	.	.	S	Bend	trans	-84.2	-18.9	178.2	56.3	-14.5	0	0	0	113.8	W208 A282 G283	D183-W208 VanDerWaalsContact O-CH2 3.29Å; D183-W208 WeakPolarHBondContact O-CH2 3.31Å; D183-A282 WeakPolarHBondContact OD1-CA 3.36Å; D183-G283 VanDerWaalsContact CG-N 3.34Å; D183-G283 PolarHBondContact OD1-N 3.08Å; D183-G283 VanDerWaalsContact OD1-N 3.13Å; D183-G283 PolarHBondContact OD2-N 2.8Å
184	V	92.1	Very high	88.8	Confident	21 Å²	21	45.6 Å²	45.6	13%	0.127	21%	0.207	C	C	.	.	S	Bend	trans	-130.9	136.6	180	-176.4	0	0	0	0	110.6	F196 R197	V184-F196 HydrophobicContact CB-CB 4.35Å; V184-F196 HydrophobicContact CG1-CB 4.03Å; V184-R197 VanDerWaalsContact CG1-N 3.34Å; V184-R197 VanDerWaalsContact CG1-O 3.32Å; V184-R197 WeakPolarHBondContact CG1-O 3.3Å
185	P	92.5	Very high	88.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-70.2	137.7	178.4	27.4	-32.6	0	0	0	112.2	Y176 Y187 R197 W202 P207 W208	Y176-P185 WeakPolarHBondContact OH-CA 3.25Å; P185-Y187 PolarHBondContact O-N 2.86Å; P185-R197 WeakPolarHBondContact CD-O 3.45Å; P185-R197 WeakPolarHBondContact CG-O 3.47Å; P185-R197 PolarHBondContact O-N 3.4Å; P185-W202 HydrophobicContact CB-CZ2 3.86Å; P185-W202 HydrophobicContact CG-CZ2 4.12Å; P185-P207 HydrophobicContact CG-CB 4.14Å; P185-W208 HydrophobicContact CB-CD2 4.49Å; P185-W208 HydrophobicContact CB-CE3 4.1Å; P185-W208 HydrophobicContact CB-CZ3 4.44Å; P185-W208 HydrophobicContact CG-CD2 4.44Å; P185-W208 HydrophobicContact CG-CE3 4.35Å
186	L	93.4	Very high	88.9	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	120.3	174.7	-179.7	65.1	0	0	0	110.3	Y176 F194 F196 W202 S211 L214 L215 F258	Y176-L186 PolarHBondContact OH-N 3.29Å; L186-F194 HydrophobicContact CD1-CB 4.25Å; L186-F194 HydrophobicContact CD1-CD1 4.31Å; L186-F194 HydrophobicContact CD2-CD1 4.33Å; L186-F194 HydrophobicContact CG-CD1 4.44Å; L186-F196 HydrophobicContact CB-CE1 4.19Å; L186-F196 HydrophobicContact CD1-CD1 4.44Å; L186-F196 HydrophobicContact CD1-CD2 4.3Å; L186-F196 HydrophobicContact CD1-CE1 4.15Å; L186-F196 HydrophobicContact CD1-CE2 3.98Å; L186-F196 HydrophobicContact CD1-CZ 3.91Å; L186-W202 WeakPolarHBondContact O-CH2 3.32Å; L186-S211 PolarHBondContact N-OG 3.16Å; L186-S211 PolarHBondContact O-OG 3.39Å; L186-L214 HydrophobicContact CD2-CD2 3.89Å; L186-L214 HydrophobicContact CG-CD2 4.1Å; L186-L215 HydrophobicContact CD2-CD2 4.29Å; L186-F258 HydrophobicContact CD2-CD1 4.38Å; L186-F258 HydrophobicContact CD2-CE1 3.53Å; L186-F258 HydrophobicContact CD2-CZ 4.26Å
187	Y	91.7	Very high	89	Confident	44 Å²	44	45.5 Å²	45.5	17%	0.173	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125	177.7	-177.3	-114.5	0	0	0	111.1	P185 W189 F194 A195 R197 W202	P185-Y187 PolarHBondContact O-N 2.86Å; Y187-W189 HydrophobicContact CD1-CD2 4.25Å; Y187-W189 AromaticContact CD1-CE3 3.3Å; Y187-W189 HydrophobicContact CD1-CE3 3.3Å; Y187-W189 AromaticContact CD1-CZ3 3.85Å; Y187-W189 HydrophobicContact CD1-CZ3 3.85Å; Y187-W189 HydrophobicContact CE1-CB 3.62Å; Y187-W189 AromaticContact CE1-CD2 3.87Å; Y187-W189 HydrophobicContact CE1-CD2 3.87Å; Y187-W189 AromaticContact CE1-CE3 3.38Å; Y187-W189 HydrophobicContact CE1-CE3 3.38Å; Y187-W189 HydrophobicContact CE1-CG 4.04Å; Y187-W189 HydrophobicContact CE1-CZ3 4.26Å; Y187-W189 HydrophobicContact CG-CE3 4.42Å; Y187-F194 CarbonylContact O-C 3.59Å; Y187-F194 WeakPolarHBondContact O-CA 3.4Å; Y187-A195 WeakPolarHBondContact CA-O 3.34Å; Y187-A195 VanDerWaalsContact CB-O 3.31Å; Y187-A195 WeakPolarHBondContact CB-O 3.43Å; Y187-A195 PolarHBondContact N-O 3.41Å; Y187-A195 PolarHBondContact O-N 3.22Å; Y187-R197 HydrophobicContact CD1-CG 4.45Å; Y187-R197 VanDerWaalsContact CD1-NE 3.3Å; Y187-W202 VanDerWaalsContact CB-CZ2 3.47Å; Y187-W202 AromaticContact CD2-CD2 3.79Å; Y187-W202 HydrophobicContact CD2-CD2 3.79Å; Y187-W202 AromaticContact CD2-CE2 3.83Å; Y187-W202 AromaticContact CD2-CE3 3.61Å; Y187-W202 HydrophobicContact CD2-CE3 3.61Å; Y187-W202 AromaticContact CD2-CH2 3.61Å; Y187-W202 HydrophobicContact CD2-CH2 3.61Å; Y187-W202 AromaticContact CD2-CZ2 3.75Å; Y187-W202 HydrophobicContact CD2-CZ2 3.75Å; Y187-W202 AromaticContact CD2-CZ3 3.54Å; Y187-W202 HydrophobicContact CD2-CZ3 3.54Å; Y187-W202 HydrophobicContact CE2-CD2 4.4Å; Y187-W202 HydrophobicContact CE2-CE3 4.03Å; Y187-W202 HydrophobicContact CE2-CZ3 4.17Å; Y187-W202 HydrophobicContact CG-CH2 4.29Å; Y187-W202 HydrophobicContact CG-CZ2 4.07Å
188	R	91.3	Very high	89	Confident	79 Å²	79	46.7 Å²	46.7	30%	0.298	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	121	170.3	-176.4	-174.5	176.2	178.3	-2.5	109.2	A190 H193 F194 L214 D254	R188-A190 VanDerWaalsContact CG-O 3.3Å; R188-A190 WeakPolarHBondContact CG-O 3.26Å; R188-H193 WeakPolarHBondContact CA-O 3.34Å; R188-F194 HydrophobicContact CB-CD1 3.97Å; R188-F194 HydrophobicContact CB-CE1 3.87Å; R188-F194 HydrophobicContact CG-CD1 4.1Å; R188-F194 HydrophobicContact CG-CE1 3.65Å; R188-F194 HydrophobicContact CG-CZ 4.12Å; R188-L214 HydrophobicContact CB-CD1 4.48Å; R188-L214 HydrophobicContact CB-CD2 3.79Å; R188-D254 IonicContact NH2-OD2 2.59Å; R188-D254 PolarHBondContact NH2-OD2 2.93Å
189	W	89.5	Confident	88.9	Confident	114 Å²	114	47.6 Å²	47.6	43%	0.432	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	-19.6	177	64	96.1	0	0	0	114.2	Y187 H193 A195	Y187-W189 HydrophobicContact CD1-CD2 4.25Å; Y187-W189 AromaticContact CD1-CE3 3.3Å; Y187-W189 HydrophobicContact CD1-CE3 3.3Å; Y187-W189 AromaticContact CD1-CZ3 3.85Å; Y187-W189 HydrophobicContact CD1-CZ3 3.85Å; Y187-W189 HydrophobicContact CE1-CB 3.62Å; Y187-W189 AromaticContact CE1-CD2 3.87Å; Y187-W189 HydrophobicContact CE1-CD2 3.87Å; Y187-W189 AromaticContact CE1-CE3 3.38Å; Y187-W189 HydrophobicContact CE1-CE3 3.38Å; Y187-W189 HydrophobicContact CE1-CG 4.04Å; Y187-W189 HydrophobicContact CE1-CZ3 4.26Å; Y187-W189 HydrophobicContact CG-CE3 4.42Å; W189-H193 HydrophobicContact CD2-CB 3.84Å; W189-H193 AromaticContact CE2-CD2 3.8Å; W189-H193 AromaticContact CE2-CG 3.98Å; W189-H193 HydrophobicContact CE3-CB 4.28Å; W189-H193 HydrophobicContact CG-CB 4.3Å; W189-H193 HydrophobicContact CH2-CB 4.21Å; W189-H193 HydrophobicContact CZ2-CB 3.74Å; W189-H193 AromaticContact CZ2-CD2 3.71Å; W189-H193 HydrophobicContact CZ3-CB 4.46Å; W189-H193 PolarHBondContact N-O 3.16Å; W189-H193 AromaticContact NE1-CD2 3.59Å; W189-H193 AromaticContact NE1-CG 3.81Å; W189-A195 HydrophobicContact CH2-CB 4.2Å; W189-A195 HydrophobicContact CZ3-CB 3.76Å
190	A	87.3	Confident	89	Confident	42 Å²	42	52.3 Å²	52.3	35%	0.347	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	173.1	171.6	0	0	0	0	0	109.1	R188 H193	R188-A190 VanDerWaalsContact CG-O 3.3Å; R188-A190 WeakPolarHBondContact CG-O 3.26Å; A190-H193 HydrophobicContact CB-CB 4.01Å; A190-H193 PolarHBondContact O-N 2.76Å
191	R	84	Confident	89.2	Confident	70 Å²	70	57.2 Å²	57.2	26%	0.264	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	139	169.5	-172.4	177.4	-179.2	161.3	6.1	109.7	H193 D254	R191-H193 PolarHBondContact O-N 2.99Å; R191-H193 VanDerWaalsContact O-N 3.13Å; R191-H193 PolarHBondContact O-ND1 2.98Å; R191-D254 WeakPolarHBondContact CD-OD2 3.3Å; R191-D254 IonicContact CZ-OD1 3Å; R191-D254 IonicContact CZ-OD2 3.62Å; R191-D254 IonicContact NE-OD1 2.83Å; R191-D254 PolarHBondContact NE-OD1 3.27Å; R191-D254 IonicContact NE-OD2 3.28Å; R191-D254 PolarHBondContact NE-OD2 3.46Å; R191-D254 IonicContact NH2-OD1 2.71Å; R191-D254 PolarHBondContact NH2-OD1 3.04Å; R191-D254 IonicContact NH2-OD2 3.98Å
192	C	84.6	Confident	89.4	Confident	15 Å²	15	53.4 Å²	53.4	10%	0.101	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	16.1	-177.1	-52.3	0	0	0	0	115.1	Y309	C192-Y309 HydrophobicContact CB-CD2 3.74Å; C192-Y309 HydrophobicContact CB-CG 4.25Å; C192-Y309 VanDerWaalsContact O-CE2 3.28Å; C192-Y309 WeakPolarHBondContact O-CE2 3.41Å
193	H	89.8	Confident	89.3	Confident	72 Å²	72	61.5 Å²	61.5	33%	0.333	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	103.4	-178.3	-75	82.7	0	0	0	110.4	R188 W189 A190 R191	R188-H193 WeakPolarHBondContact CA-O 3.34Å; W189-H193 HydrophobicContact CD2-CB 3.84Å; W189-H193 AromaticContact CE2-CD2 3.8Å; W189-H193 AromaticContact CE2-CG 3.98Å; W189-H193 HydrophobicContact CE3-CB 4.28Å; W189-H193 HydrophobicContact CG-CB 4.3Å; W189-H193 HydrophobicContact CH2-CB 4.21Å; W189-H193 HydrophobicContact CZ2-CB 3.74Å; W189-H193 AromaticContact CZ2-CD2 3.71Å; W189-H193 HydrophobicContact CZ3-CB 4.46Å; W189-H193 PolarHBondContact N-O 3.16Å; W189-H193 AromaticContact NE1-CD2 3.59Å; W189-H193 AromaticContact NE1-CG 3.81Å; A190-H193 HydrophobicContact CB-CB 4.01Å; A190-H193 PolarHBondContact O-N 2.76Å; R191-H193 PolarHBondContact O-N 2.99Å; R191-H193 VanDerWaalsContact O-N 3.13Å; R191-H193 PolarHBondContact O-ND1 2.98Å
194	F	92.1	Very high	89.1	Confident	4 Å²	4	60.3 Å²	60.3	2%	0.018	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	145.6	-172.2	-61.8	-85.8	0	0	0	111.2	L186 Y187 R188 L256 I278 Y309 F312	L186-F194 HydrophobicContact CD1-CB 4.25Å; L186-F194 HydrophobicContact CD1-CD1 4.31Å; L186-F194 HydrophobicContact CD2-CD1 4.33Å; L186-F194 HydrophobicContact CG-CD1 4.44Å; Y187-F194 CarbonylContact O-C 3.59Å; Y187-F194 WeakPolarHBondContact O-CA 3.4Å; R188-F194 HydrophobicContact CB-CD1 3.97Å; R188-F194 HydrophobicContact CB-CE1 3.87Å; R188-F194 HydrophobicContact CG-CD1 4.1Å; R188-F194 HydrophobicContact CG-CE1 3.65Å; R188-F194 HydrophobicContact CG-CZ 4.12Å; F194-L256 HydrophobicContact CE1-CD1 4.12Å; F194-L256 HydrophobicContact CZ-CD1 3.78Å; F194-I278 HydrophobicContact CB-CD1 4.49Å; F194-I278 HydrophobicContact CD1-CD1 3.4Å; F194-I278 HydrophobicContact CD2-CD1 3.65Å; F194-I278 HydrophobicContact CE1-CD1 3.27Å; F194-I278 HydrophobicContact CE2-CD1 3.54Å; F194-I278 HydrophobicContact CG-CD1 3.58Å; F194-I278 HydrophobicContact CZ-CD1 3.37Å; F194-Y309 HydrophobicContact CD2-CD1 4.11Å; F194-Y309 AromaticContact CD2-CE1 3.57Å; F194-Y309 HydrophobicContact CD2-CE1 3.57Å; F194-Y309 HydrophobicContact CD2-CE2 4.08Å; F194-Y309 AromaticContact CD2-CZ 3.55Å; F194-Y309 HydrophobicContact CE2-CD1 4.02Å; F194-Y309 AromaticContact CE2-CE1 3.94Å; F194-Y309 HydrophobicContact CE2-CE1 3.94Å; F194-Y309 HydrophobicContact CE2-CG 4.42Å; F194-Y309 HydrophobicContact CG-CE1 4.46Å; F194-F312 HydrophobicContact CB-CE2 3.96Å
195	A	91.7	Very high	88.8	Confident	21 Å²	21	63.9 Å²	63.9	17%	0.174	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	139.6	170.5	0	0	0	0	0	109.9	Y187 W189 R197	Y187-A195 WeakPolarHBondContact CA-O 3.34Å; Y187-A195 VanDerWaalsContact CB-O 3.31Å; Y187-A195 WeakPolarHBondContact CB-O 3.43Å; Y187-A195 PolarHBondContact N-O 3.41Å; Y187-A195 PolarHBondContact O-N 3.22Å; W189-A195 HydrophobicContact CH2-CB 4.2Å; W189-A195 HydrophobicContact CZ3-CB 3.76Å; A195-R197 HydrophobicContact CB-CG 3.86Å; A195-R197 PolarHBondContact O-N 3.27Å
196	F	91.6	Very high	88.8	Confident	41 Å²	41	64.7 Å²	64.7	18%	0.18	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	115.7	163.4	-68.7	-89	0	0	0	107.5	V184 L186 A280 V285 F312	V184-F196 HydrophobicContact CB-CB 4.35Å; V184-F196 HydrophobicContact CG1-CB 4.03Å; L186-F196 HydrophobicContact CB-CE1 4.19Å; L186-F196 HydrophobicContact CD1-CD1 4.44Å; L186-F196 HydrophobicContact CD1-CD2 4.3Å; L186-F196 HydrophobicContact CD1-CE1 4.15Å; L186-F196 HydrophobicContact CD1-CE2 3.98Å; L186-F196 HydrophobicContact CD1-CZ 3.91Å; F196-A280 HydrophobicContact CZ-CB 4.5Å; F196-V285 HydrophobicContact CD1-CG2 4.41Å; F196-V285 HydrophobicContact CD2-CG2 3.92Å; F196-V285 HydrophobicContact CE1-CG2 4.27Å; F196-V285 HydrophobicContact CE2-CB 4.2Å; F196-V285 HydrophobicContact CE2-CG1 3.93Å; F196-V285 HydrophobicContact CE2-CG2 3.77Å; F196-V285 HydrophobicContact CG-CG2 4.25Å; F196-V285 HydrophobicContact CZ-CG1 4.01Å; F196-V285 HydrophobicContact CZ-CG2 3.95Å; F196-F312 AromaticContact CD2-CD1 3.88Å; F196-F312 HydrophobicContact CD2-CD1 3.88Å; F196-F312 AromaticContact CD2-CE1 3.82Å; F196-F312 HydrophobicContact CD2-CE1 3.82Å; F196-F312 HydrophobicContact CD2-CG 4.32Å; F196-F312 HydrophobicContact CD2-CZ 4.21Å; F196-F312 HydrophobicContact CE2-CB 4.3Å; F196-F312 AromaticContact CE2-CD1 3.86Å; F196-F312 HydrophobicContact CE2-CD1 3.86Å; F196-F312 HydrophobicContact CE2-CD2 4.17Å; F196-F312 HydrophobicContact CE2-CE1 4.19Å; F196-F312 HydrophobicContact CE2-CE2 4.48Å; F196-F312 AromaticContact CE2-CG 3.85Å; F196-F312 HydrophobicContact CE2-CG 3.85Å; F196-F312 HydrophobicContact CE2-CZ 4.49Å
197	R	91.2	Very high	88.7	Confident	63 Å²	63	64.7 Å²	64.7	24%	0.238	33%	0.331	C	S	.	.			trans	-125.7	129.3	-172.3	-72.8	-166.6	-173.8	-178.2	6.5	111.4	V184 P185 Y187 A195 Q201 W202	V184-R197 VanDerWaalsContact CG1-N 3.34Å; V184-R197 VanDerWaalsContact CG1-O 3.32Å; V184-R197 WeakPolarHBondContact CG1-O 3.3Å; P185-R197 WeakPolarHBondContact CD-O 3.45Å; P185-R197 WeakPolarHBondContact CG-O 3.47Å; P185-R197 PolarHBondContact O-N 3.4Å; Y187-R197 HydrophobicContact CD1-CG 4.45Å; Y187-R197 VanDerWaalsContact CD1-NE 3.3Å; A195-R197 HydrophobicContact CB-CG 3.86Å; A195-R197 PolarHBondContact O-N 3.27Å; R197-Q201 HydrophobicContact CB-CB 4.15Å; R197-W202 PolarHBondContact O-NE1 3.49Å; R197-W202 VanDerWaalsContact O-NE1 3.08Å
198	E	89.4	Confident	88.8	Confident	106 Å²	106	63 Å²	63	50%	0.495	33%	0.325	S	S	.	.			trans	-57.5	151.9	171.9	-74.7	-66	172.4	0	0	111.7	S200 Q201	E198-S200 PolarHBondContact O-N 3.31Å; E198-Q201 WeakPolarHBondContact O-CB 3.26Å; E198-Q201 PolarHBondContact O-N 3.32Å
199	R	83.3	Confident	88.9	Confident	121 Å²	121	62 Å²	62	46%	0.457	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-51.5	-35	-177.1	179.3	178.4	174.4	173.4	-1.4	113.1	V169 Q201 W202 P207	V169-R199 VanDerWaalsContact CG1-NH1 3.27Å; R199-Q201 PolarHBondContact O-N 2.83Å; R199-W202 PolarHBondContact O-N 3.48Å; R199-P207 HydrophobicContact CG-CG 4.18Å
200	S	85.7	Confident	89	Confident	110 Å²	110	62.3 Å²	62.3	77%	0.769	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-65	-16	179.5	56.8	0	0	0	0	114.4	E198	E198-S200 PolarHBondContact O-N 3.31Å
201	Q	87.5	Confident	89.3	Confident	106 Å²	106	60.4 Å²	60.4	50%	0.495	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-99.7	5.7	-176	-58.4	176.4	-18.8	0	0	113.5	R197 E198 R199	R197-Q201 HydrophobicContact CB-CB 4.15Å; E198-Q201 WeakPolarHBondContact O-CB 3.26Å; E198-Q201 PolarHBondContact O-N 3.32Å; R199-Q201 PolarHBondContact O-N 2.83Å
202	W	89.5	Confident	89.7	Confident	22 Å²	22	57.2 Å²	57.2	8%	0.083	30%	0.299	C	S	.	.			trans	-105.4	136.4	-179.2	-74.1	71.2	0	0	0	112.2	P185 L186 Y187 R197 R199 C204 P207 K210	P185-W202 HydrophobicContact CB-CZ2 3.86Å; P185-W202 HydrophobicContact CG-CZ2 4.12Å; L186-W202 WeakPolarHBondContact O-CH2 3.32Å; Y187-W202 VanDerWaalsContact CB-CZ2 3.47Å; Y187-W202 AromaticContact CD2-CD2 3.79Å; Y187-W202 HydrophobicContact CD2-CD2 3.79Å; Y187-W202 AromaticContact CD2-CE2 3.83Å; Y187-W202 AromaticContact CD2-CE3 3.61Å; Y187-W202 HydrophobicContact CD2-CE3 3.61Å; Y187-W202 AromaticContact CD2-CH2 3.61Å; Y187-W202 HydrophobicContact CD2-CH2 3.61Å; Y187-W202 AromaticContact CD2-CZ2 3.75Å; Y187-W202 HydrophobicContact CD2-CZ2 3.75Å; Y187-W202 AromaticContact CD2-CZ3 3.54Å; Y187-W202 HydrophobicContact CD2-CZ3 3.54Å; Y187-W202 HydrophobicContact CE2-CD2 4.4Å; Y187-W202 HydrophobicContact CE2-CE3 4.03Å; Y187-W202 HydrophobicContact CE2-CZ3 4.17Å; Y187-W202 HydrophobicContact CG-CH2 4.29Å; Y187-W202 HydrophobicContact CG-CZ2 4.07Å; R197-W202 PolarHBondContact O-NE1 3.49Å; R197-W202 VanDerWaalsContact O-NE1 3.08Å; R199-W202 PolarHBondContact O-N 3.48Å; W202-C204 VanDerWaalsContact C-N 3.26Å; W202-C204 VanDerWaalsContact CE3-SG 3.57Å; W202-C204 PolarHBondContact O-N 3.14Å; W202-P207 HydrophobicContact CB-CB 4.11Å; W202-P207 HydrophobicContact CB-CG 3.52Å; W202-P207 HydrophobicContact CD2-CB 3.54Å; W202-P207 HydrophobicContact CD2-CG 4Å; W202-P207 HydrophobicContact CE3-CB 3.9Å; W202-P207 HydrophobicContact CE3-CG 4.37Å; W202-P207 HydrophobicContact CG-CB 3.65Å; W202-P207 HydrophobicContact CG-CG 3.64Å; W202-P207 HydrophobicContact CZ2-CB 4.38Å; W202-P207 HydrophobicContact CZ3-CB 4.43Å; W202-K210 HydrophobicContact CE3-CD 4.47Å; W202-K210 HydrophobicContact CZ3-CB 3.95Å; W202-K210 HydrophobicContact CZ3-CD 3.91Å; W202-K210 HydrophobicContact CZ3-CG 3.93Å
203	N	86.3	Confident	90	Very high	172 Å²	172	58.6 Å²	58.6	92%	0.92	32%	0.316	S	S	*	.	S	Bend	trans	-89.8	35.2	174.6	-66	-13.4	0	0	0	112.6
204	C	86.3	Confident	90	Very high	42 Å²	42	56.7 Å²	56.7	28%	0.284	31%	0.308	S	S	.	.	S	Bend	trans	-139.4	152.5	177.9	71.1	0	0	0	0	112.1	W202 N206	W202-C204 VanDerWaalsContact C-N 3.26Å; W202-C204 VanDerWaalsContact CE3-SG 3.57Å; W202-C204 PolarHBondContact O-N 3.14Å; C204-N206 VanDerWaalsContact C-N 3.32Å; C204-N206 PolarHBondContact O-N 2.81Å
205	A	86.5	Confident	89.9	Confident	96 Å²	96	56.5 Å²	56.5	79%	0.793	31%	0.307	S	S	*	.	S	Bend	trans	-60.9	-36.9	-175.5	0	0	0	0	0	113.8	V169	V169-A205 WeakPolarHBondContact CG2-O 3.17Å
206	N	91.6	Very high	89.6	Confident	17 Å²	17	58.4 Å²	58.4	9%	0.091	31%	0.312	C	S	.	.			trans	-134.7	88.5	-178.7	-167	-25.4	0	0	0	111.9	N167 D168 V169 C204 W208 K209 K210	N167-N206 PolarHBondContact O-ND2 3.3Å; D168-N206 PolarHBondContact O-ND2 3.37Å; V169-N206 HydrophobicContact CG2-CB 4.21Å; C204-N206 VanDerWaalsContact C-N 3.32Å; C204-N206 PolarHBondContact O-N 2.81Å; N206-W208 VanDerWaalsContact C-N 3.33Å; N206-W208 PolarHBondContact O-N 2.76Å; N206-W208 PolarHBondContact OD1-N 3.29Å; N206-K209 HydrophobicContact CB-CB 4.13Å; N206-K209 PolarHBondContact O-N 3.5Å; N206-K209 PolarHBondContact OD1-N 2.91Å; N206-K210 PolarHBondContact O-N 3.24Å
207	P	92.9	Very high	89.4	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.013	33%	0.329	C	S	.	.	H	α-helix	trans	-58.2	-40.2	177.5	-31.5	41.6	0	0	0	114.1	P185 R199 W202 K210 S211	P185-P207 HydrophobicContact CG-CB 4.14Å; R199-P207 HydrophobicContact CG-CG 4.18Å; W202-P207 HydrophobicContact CB-CB 4.11Å; W202-P207 HydrophobicContact CB-CG 3.52Å; W202-P207 HydrophobicContact CD2-CB 3.54Å; W202-P207 HydrophobicContact CD2-CG 4Å; W202-P207 HydrophobicContact CE3-CB 3.9Å; W202-P207 HydrophobicContact CE3-CG 4.37Å; W202-P207 HydrophobicContact CG-CB 3.65Å; W202-P207 HydrophobicContact CG-CG 3.64Å; W202-P207 HydrophobicContact CZ2-CB 4.38Å; W202-P207 HydrophobicContact CZ3-CB 4.43Å; P207-K210 PolarHBondContact O-N 2.93Å; P207-S211 WeakPolarHBondContact O-CB 3.45Å; P207-S211 PolarHBondContact O-N 3.48Å
208	W	93	Very high	89.3	Confident	9 Å²	9	56.6 Å²	56.6	3%	0.034	32%	0.318	C	S	.	.	H	α-helix	trans	-61.4	-47.6	-179.4	-59.5	108.4	0	0	0	111.4	W172 E173 Y176 D183 P185 N206 K210 S211 F212	W172-W208 HydrophobicContact CB-CB 3.84Å; E173-W208 HydrophobicContact CB-CD2 3.91Å; E173-W208 HydrophobicContact CB-CG 3.93Å; E173-W208 HydrophobicContact CB-CZ2 4.19Å; E173-W208 HydrophobicContact CG-CD2 4.08Å; E173-W208 HydrophobicContact CG-CH2 4.02Å; E173-W208 HydrophobicContact CG-CZ2 3.51Å; Y176-W208 AromaticContact CD1-CE3 3.36Å; Y176-W208 HydrophobicContact CD1-CE3 3.36Å; Y176-W208 AromaticContact CD1-CZ3 3.41Å; Y176-W208 HydrophobicContact CD1-CZ3 3.41Å; Y176-W208 VanDerWaalsContact CD1-CZ3 3.41Å; Y176-W208 HydrophobicContact CD2-CE3 4.39Å; Y176-W208 AromaticContact CE1-CE3 3.82Å; Y176-W208 HydrophobicContact CE1-CE3 3.82Å; Y176-W208 AromaticContact CE1-CZ3 3.71Å; Y176-W208 HydrophobicContact CE1-CZ3 3.71Å; Y176-W208 AromaticContact CG-CE3 3.66Å; Y176-W208 HydrophobicContact CG-CE3 3.66Å; Y176-W208 HydrophobicContact CG-CZ3 4.18Å; D183-W208 VanDerWaalsContact O-CH2 3.29Å; D183-W208 WeakPolarHBondContact O-CH2 3.31Å; P185-W208 HydrophobicContact CB-CD2 4.49Å; P185-W208 HydrophobicContact CB-CE3 4.1Å; P185-W208 HydrophobicContact CB-CZ3 4.44Å; P185-W208 HydrophobicContact CG-CD2 4.44Å; P185-W208 HydrophobicContact CG-CE3 4.35Å; N206-W208 VanDerWaalsContact C-N 3.33Å; N206-W208 PolarHBondContact O-N 2.76Å; N206-W208 PolarHBondContact OD1-N 3.29Å; W208-K210 VanDerWaalsContact C-N 3.32Å; W208-K210 PolarHBondContact O-N 2.77Å; W208-S211 PolarHBondContact O-N 3.5Å; W208-F212 VanDerWaalsContact O-CB 3.25Å; W208-F212 WeakPolarHBondContact O-CB 3.33Å; W208-F212 PolarHBondContact O-N 3.23Å
209	K	93	Very high	89.5	Confident	56 Å²	56	51.7 Å²	51.7	24%	0.243	30%	0.296	C	S	.	.	H	α-helix	trans	-59.4	-43	175.2	-174.6	176.3	-174.4	-176.1	0	112.1	N167 W172 N206 F212 G213	N167-K209 WeakPolarHBondContact OD1-CD 3.36Å; N167-K209 WeakPolarHBondContact OD1-CE 3.24Å; N167-K209 PolarHBondContact OD1-NZ 2.65Å; W172-K209 HydrophobicContact CB-CB 4.38Å; W172-K209 HydrophobicContact CD2-CB 3.58Å; W172-K209 HydrophobicContact CD2-CD 4.22Å; W172-K209 HydrophobicContact CD2-CG 3.72Å; W172-K209 HydrophobicContact CE3-CB 3.9Å; W172-K209 HydrophobicContact CE3-CG 3.94Å; W172-K209 HydrophobicContact CG-CB 3.79Å; W172-K209 HydrophobicContact CG-CG 4.37Å; W172-K209 HydrophobicContact CH2-CD 4.34Å; W172-K209 HydrophobicContact CH2-CG 3.93Å; W172-K209 HydrophobicContact CZ2-CD 3.7Å; W172-K209 HydrophobicContact CZ2-CG 3.73Å; W172-K209 HydrophobicContact CZ3-CB 4.48Å; W172-K209 HydrophobicContact CZ3-CG 4.03Å; N206-K209 HydrophobicContact CB-CB 4.13Å; N206-K209 PolarHBondContact O-N 3.5Å; N206-K209 PolarHBondContact OD1-N 2.91Å; K209-F212 WeakPolarHBondContact O-CB 3.29Å; K209-F212 PolarHBondContact O-N 3.12Å; K209-G213 PolarHBondContact O-N 3.26Å; K209-G213 VanDerWaalsContact O-N 3.08Å
210	K	91.9	Very high	89.9	Confident	122 Å²	122	46 Å²	46	53%	0.53	27%	0.274	S	S	.	.	H	α-helix	trans	-67.2	-43.3	-179.2	-172.8	165	176.4	176.4	0	111.9	W202 N206 P207 W208 G213 L214	W202-K210 HydrophobicContact CE3-CD 4.47Å; W202-K210 HydrophobicContact CZ3-CB 3.95Å; W202-K210 HydrophobicContact CZ3-CD 3.91Å; W202-K210 HydrophobicContact CZ3-CG 3.93Å; N206-K210 PolarHBondContact O-N 3.24Å; P207-K210 PolarHBondContact O-N 2.93Å; W208-K210 VanDerWaalsContact C-N 3.32Å; W208-K210 PolarHBondContact O-N 2.77Å; K210-G213 PolarHBondContact O-N 3.01Å; K210-L214 PolarHBondContact O-N 3.35Å
211	S	93.7	Very high	90.2	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.007	24%	0.238	C	C	.	.	H	α-helix	trans	-64.6	-41.5	173.4	-172.9	0	0	0	0	111.8	Y176 L186 P207 W208 G213 L214 L215	Y176-S211 VanDerWaalsContact CE2-OG 3.25Å; Y176-S211 WeakPolarHBondContact CE2-OG 3.42Å; Y176-S211 PolarHBondContact OH-OG 3.37Å; L186-S211 PolarHBondContact N-OG 3.16Å; L186-S211 PolarHBondContact O-OG 3.39Å; P207-S211 WeakPolarHBondContact O-CB 3.45Å; P207-S211 PolarHBondContact O-N 3.48Å; W208-S211 PolarHBondContact O-N 3.5Å; S211-G213 VanDerWaalsContact C-N 3.27Å; S211-G213 PolarHBondContact O-N 3.05Å; S211-L214 WeakPolarHBondContact O-CB 3.5Å; S211-L214 PolarHBondContact O-N 2.81Å; S211-L214 VanDerWaalsContact O-N 3.07Å; S211-L215 PolarHBondContact O-N 3.28Å
212	F	92.5	Very high	90.2	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.018	22%	0.217	C	C	.	.	H	α-helix	trans	-55.7	-44.6	176.2	-163.2	-70.8	0	0	0	111	E149 W172 L175 Y176 V179 F180 W208 K209 L214 L215 H216 W234	E149-F212 HydrophobicContact CB-CD1 4.25Å; E149-F212 HydrophobicContact CB-CE1 3.59Å; E149-F212 HydrophobicContact CB-CZ 3.93Å; E149-F212 HydrophobicContact CG-CE1 3.69Å; E149-F212 HydrophobicContact CG-CZ 4.2Å; W172-F212 HydrophobicContact CE3-CB 4.13Å; W172-F212 HydrophobicContact CE3-CD2 4.27Å; W172-F212 HydrophobicContact CE3-CG 4.16Å; W172-F212 HydrophobicContact CZ3-CB 4.02Å; W172-F212 HydrophobicContact CZ3-CD1 4.02Å; W172-F212 HydrophobicContact CZ3-CD2 4.17Å; W172-F212 AromaticContact CZ3-CG 3.8Å; W172-F212 HydrophobicContact CZ3-CG 3.8Å; L175-F212 HydrophobicContact CD2-CE2 4.09Å; L175-F212 HydrophobicContact CD2-CZ 4.45Å; L175-F212 HydrophobicContact CG-CD2 4.48Å; L175-F212 HydrophobicContact CG-CE2 3.85Å; L175-F212 HydrophobicContact CG-CZ 4.5Å; Y176-F212 HydrophobicContact CD2-CB 4Å; Y176-F212 HydrophobicContact CD2-CD2 4.02Å; Y176-F212 HydrophobicContact CD2-CG 4.46Å; V179-F212 HydrophobicContact CB-CE2 3.91Å; V179-F212 HydrophobicContact CB-CZ 4.37Å; V179-F212 HydrophobicContact CG1-CE2 4.06Å; V179-F212 HydrophobicContact CG1-CZ 4.11Å; V179-F212 HydrophobicContact CG2-CE2 3.9Å; V179-F212 HydrophobicContact CG2-CZ 4.16Å; F180-F212 HydrophobicContact CD2-CD2 4.26Å; F180-F212 HydrophobicContact CD2-CE2 4.32Å; F180-F212 HydrophobicContact CE2-CD1 4.35Å; F180-F212 AromaticContact CE2-CD2 3.53Å; F180-F212 HydrophobicContact CE2-CD2 3.53Å; F180-F212 HydrophobicContact CE2-CE1 4.37Å; F180-F212 AromaticContact CE2-CE2 3.56Å; F180-F212 HydrophobicContact CE2-CE2 3.56Å; F180-F212 AromaticContact CE2-CG 3.93Å; F180-F212 HydrophobicContact CE2-CG 3.93Å; F180-F212 HydrophobicContact CE2-CZ 4Å; F180-F212 HydrophobicContact CZ-CD2 4.47Å; F180-F212 HydrophobicContact CZ-CE1 4.44Å; F180-F212 HydrophobicContact CZ-CE2 4.26Å; F180-F212 HydrophobicContact CZ-CZ 4.25Å; W208-F212 VanDerWaalsContact O-CB 3.25Å; W208-F212 WeakPolarHBondContact O-CB 3.33Å; W208-F212 PolarHBondContact O-N 3.23Å; K209-F212 WeakPolarHBondContact O-CB 3.29Å; K209-F212 PolarHBondContact O-N 3.12Å; F212-L214 VanDerWaalsContact C-N 3.33Å; F212-L214 PolarHBondContact O-N 2.83Å; F212-L215 PolarHBondContact O-N 3.42Å; F212-H216 HydrophobicContact CD1-CB 4.27Å; F212-H216 HydrophobicContact CE1-CB 4.25Å; F212-H216 VanDerWaalsContact O-CB 3.28Å; F212-H216 WeakPolarHBondContact O-CB 3.38Å; F212-H216 PolarHBondContact O-N 3.49Å; F212-W234 AromaticContact CE1-CH2 3.93Å; F212-W234 HydrophobicContact CE1-CH2 3.93Å; F212-W234 HydrophobicContact CE1-CZ2 4.46Å; F212-W234 HydrophobicContact CZ-CH2 4.07Å; F212-W234 HydrophobicContact CZ-CZ2 4.49Å
213	G	90	Very high	89.3	Confident	44 Å²	44	39.3 Å²	39.3	45%	0.454	23%	0.231	S	C	.	.	H	α-helix	trans	-60.9	-38.7	176.7	0	0	0	0	0	113.6	K209 K210 S211 A217	K209-G213 PolarHBondContact O-N 3.26Å; K209-G213 VanDerWaalsContact O-N 3.08Å; K210-G213 PolarHBondContact O-N 3.01Å; S211-G213 VanDerWaalsContact C-N 3.27Å; S211-G213 PolarHBondContact O-N 3.05Å; G213-A217 PolarHBondContact O-N 3.24Å
214	L	90.2	Very high	88.1	Confident	31 Å²	31	34.9 Å²	34.9	16%	0.162	21%	0.211	C	C	.	.	H	α-helix	trans	-63.7	-47.6	174.4	175.9	67.4	0	0	0	111.3	L186 R188 K210 S211 F212 A217 L256 F258	L186-L214 HydrophobicContact CD2-CD2 3.89Å; L186-L214 HydrophobicContact CG-CD2 4.1Å; R188-L214 HydrophobicContact CB-CD1 4.48Å; R188-L214 HydrophobicContact CB-CD2 3.79Å; K210-L214 PolarHBondContact O-N 3.35Å; S211-L214 WeakPolarHBondContact O-CB 3.5Å; S211-L214 PolarHBondContact O-N 2.81Å; S211-L214 VanDerWaalsContact O-N 3.07Å; F212-L214 VanDerWaalsContact C-N 3.33Å; F212-L214 PolarHBondContact O-N 2.83Å; L214-A217 PolarHBondContact O-N 2.89Å; L214-L256 HydrophobicContact CD1-CD2 3.55Å; L214-L256 HydrophobicContact CG-CD2 4.11Å; L214-F258 HydrophobicContact CG-CZ 4.28Å
215	L	89.7	Confident	86.5	Confident	0 Å²	0	38 Å²	38	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.4	-47.9	-179.5	-67.2	176.9	0	0	0	111.3	Y176 F180 Y182 L186 S211 F212 A217 G218 H220 F258	Y176-L215 HydrophobicContact CD2-CD1 4.37Å; Y176-L215 HydrophobicContact CE2-CD1 3.4Å; Y176-L215 HydrophobicContact CE2-CG 4.46Å; Y176-L215 WeakPolarHBondContact OH-CD1 3.4Å; F180-L215 HydrophobicContact CB-CD1 4.12Å; F180-L215 HydrophobicContact CD1-CB 4.27Å; F180-L215 HydrophobicContact CD1-CD1 3.83Å; F180-L215 HydrophobicContact CD2-CB 4.4Å; F180-L215 HydrophobicContact CD2-CD1 3.35Å; F180-L215 HydrophobicContact CE1-CB 3.66Å; F180-L215 HydrophobicContact CE1-CD1 4.04Å; F180-L215 HydrophobicContact CE1-CG 4.45Å; F180-L215 HydrophobicContact CE2-CB 3.78Å; F180-L215 HydrophobicContact CE2-CD1 3.56Å; F180-L215 HydrophobicContact CE2-CG 4.33Å; F180-L215 HydrophobicContact CG-CD1 3.49Å; F180-L215 VanDerWaalsContact CG-CD1 3.49Å; F180-L215 HydrophobicContact CZ-CB 3.38Å; F180-L215 HydrophobicContact CZ-CD1 3.92Å; F180-L215 HydrophobicContact CZ-CG 4.31Å; Y182-L215 HydrophobicContact CD2-CD1 3.98Å; Y182-L215 HydrophobicContact CE2-CD1 3.65Å; Y182-L215 HydrophobicContact CE2-CD2 3.98Å; L186-L215 HydrophobicContact CD2-CD2 4.29Å; S211-L215 PolarHBondContact O-N 3.28Å; F212-L215 PolarHBondContact O-N 3.42Å; L215-A217 PolarHBondContact O-N 3.22Å; L215-A217 VanDerWaalsContact O-N 3.11Å; L215-G218 PolarHBondContact O-N 3.03Å; L215-H220 PolarHBondContact O-CE1 2.89Å; L215-H220 PolarHBondContact O-NE2 3.25Å; L215-F258 HydrophobicContact CD2-CD1 3.78Å; L215-F258 HydrophobicContact CD2-CD2 3.98Å; L215-F258 HydrophobicContact CD2-CE1 3.57Å; L215-F258 HydrophobicContact CD2-CE2 3.74Å; L215-F258 HydrophobicContact CD2-CG 3.97Å; L215-F258 HydrophobicContact CD2-CZ 3.52Å
216	H	86.5	Confident	85	Confident	62 Å²	62	35.6 Å²	35.6	29%	0.287	21%	0.21	S	C	.	.	H	α-helix	trans	-55.6	-31.2	177.3	-179.6	-63.3	0	0	0	112.6	F212 G218 W234	F212-H216 HydrophobicContact CD1-CB 4.27Å; F212-H216 HydrophobicContact CE1-CB 4.25Å; F212-H216 VanDerWaalsContact O-CB 3.28Å; F212-H216 WeakPolarHBondContact O-CB 3.38Å; F212-H216 PolarHBondContact O-N 3.49Å; H216-G218 VanDerWaalsContact C-N 3.34Å; H216-W234 HydrophobicContact CB-CH2 4.12Å; H216-W234 HydrophobicContact CB-CZ3 4.29Å; H216-W234 AromaticContact CD2-CH2 3.21Å; H216-W234 WeakPolarHBondContact CD2-CH2 3.3Å; H216-W234 AromaticContact CD2-CZ2 3.43Å; H216-W234 VanDerWaalsContact CD2-CZ2 3.43Å; H216-W234 WeakPolarHBondContact CD2-CZ2 3.44Å; H216-W234 AromaticContact CD2-CZ3 3.83Å; H216-W234 AromaticContact CG-CH2 3.88Å; H216-W234 AromaticContact NE2-CZ2 3.92Å
217	A	86.3	Confident	83.2	Confident	64 Å²	64	40.1 Å²	40.1	53%	0.529	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-15.3	178.2	0	0	0	0	0	114	G213 L214 L215 R237	G213-A217 PolarHBondContact O-N 3.24Å; L214-A217 PolarHBondContact O-N 2.89Å; L215-A217 PolarHBondContact O-N 3.22Å; L215-A217 VanDerWaalsContact O-N 3.11Å; A217-R237 PolarHBondContact O-NH1 2.83Å
218	G	89.9	Confident	81.5	Confident	2 Å²	2	50 Å²	50	2%	0.021	27%	0.271	C	S	.	.	S	Bend	trans	-88	176.2	-175.4	0	0	0	0	0	115.1	L215 H216 R237 L256	L215-G218 PolarHBondContact O-N 3.03Å; H216-G218 VanDerWaalsContact C-N 3.34Å; G218-R237 WeakPolarHBondContact O-CD 3.39Å; G218-L256 WeakPolarHBondContact CA-O 3.39Å
219	I	93.2	Very high	79.7	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.015	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	136.8	167.7	-61.6	165.8	0	0	0	107.4	F239 A245 L252 A255 L256 I257 F258	I219-F239 HydrophobicContact CG2-CD2 3.43Å; I219-F239 VanDerWaalsContact CG2-CD2 3.43Å; I219-F239 HydrophobicContact CG2-CE2 3.55Å; I219-A245 HydrophobicContact CG2-CB 3.75Å; I219-L252 HydrophobicContact CD1-CD1 4Å; I219-A255 HydrophobicContact CD1-CB 4.33Å; I219-L256 PolarHBondContact N-O 2.9Å; I219-I257 HydrophobicContact CB-CG1 4.19Å; I219-I257 HydrophobicContact CD1-CG1 4.17Å; I219-I257 HydrophobicContact CG2-CG1 4.47Å; I219-I257 CarbonylContact O-C 3.54Å; I219-I257 WeakPolarHBondContact O-CA 3.44Å; I219-F258 PolarHBondContact O-N 2.84Å
220	H	92	Very high	78	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.009	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.3	-179.3	-65.1	-75.6	0	0	0	111	F180 L215 R237 H238 F239 F258 H260	F180-H220 AromaticContact CE1-CE1 3.73Å; F180-H220 AromaticContact CE1-NE2 3.98Å; L215-H220 PolarHBondContact O-CE1 2.89Å; L215-H220 PolarHBondContact O-NE2 3.25Å; H220-R237 PolarHBondContact N-O 3.08Å; H220-H238 AromaticContact CD2-CE1 3.91Å; H220-H238 AromaticContact CD2-NE2 3.85Å; H220-H238 AromaticContact CG-NE2 3.96Å; H220-H238 WeakPolarHBondContact O-CA 3.25Å; H220-F239 PolarHBondContact O-N 3.28Å; H220-F258 WeakPolarHBondContact CA-O 3.26Å; H220-F258 AromaticContact CE1-CD2 3.57Å; H220-F258 AromaticContact ND1-CD2 3.75Å; H220-H260 AromaticContact CG-NE2 3.61Å; H220-H260 AromaticContact ND1-CE1 3.85Å; H220-H260 AromaticContact ND1-NE2 3.03Å; H220-H260 PolarHBondContact ND1-NE2 3.32Å
221	V	91.5	Very high	76.1	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	119.4	171.2	-175.3	0	0	0	0	108	F239 I242 A245 I257 F258 I259 H260 Y264	V221-F239 WeakPolarHBondContact CA-O 3.45Å; V221-I242 HydrophobicContact CG1-CG1 3.97Å; V221-A245 HydrophobicContact CG2-CB 3.48Å; V221-A245 VanDerWaalsContact CG2-CB 3.48Å; V221-I257 HydrophobicContact CG2-CG2 3.78Å; V221-F258 PolarHBondContact N-O 3.4Å; V221-I259 HydrophobicContact CB-CG1 4.48Å; V221-H260 PolarHBondContact O-CD2 2.7Å; V221-H260 VanDerWaalsContact O-CD2 3.27Å; V221-H260 PolarHBondContact O-N 2.72Å; V221-Y264 HydrophobicContact CG1-CD1 4.29Å; V221-Y264 HydrophobicContact CG1-CE1 3.68Å; V221-Y264 PolarHBondContact O-OH 2.65Å
222	R	87.2	Confident	74.3	Confident	14 Å²	14	64.7 Å²	64.7	5%	0.053	33%	0.329	C	S	.	.			trans	-129.1	146.3	178	-66.8	-171.3	177.2	-120.6	10.1	110.2	V179 E181 S226 F239 H260	V179-R222 PolarHBondContact O-NH2 3.44Å; E181-R222 IonicContact OE1-NH1 3.12Å; E181-R222 PolarHBondContact OE1-NH1 2.81Å; E181-R222 VanDerWaalsContact OE1-NH1 3.07Å; R222-S226 VanDerWaalsContact CB-OG 3.26Å; R222-S226 WeakPolarHBondContact CB-OG 3.08Å; R222-S226 VanDerWaalsContact CD-OG 3.3Å; R222-S226 WeakPolarHBondContact CD-OG 3.4Å; R222-F239 PolarHBondContact N-O 2.84Å; R222-F239 VanDerWaalsContact N-O 3.15Å; R222-H260 HydrophobicContact CG-CB 3.87Å; R222-H260 WeakPolarHBondContact CG-CD2 3.27Å; R222-H260 PolarHBondContact NH2-CE1 3.48Å
223	H	70.9	Confident	72.5	Confident	83 Å²	83	67.4 Å²	67.4	38%	0.384	36%	0.358	S	S	.	.			trans	-60.2	141.1	174.7	-165.8	-86.7	0	0	0	110.5	C225 S226	H223-C225 PolarHBondContact ND1-SG 2.85Å; H223-C225 PolarHBondContact O-N 2.85Å; H223-S226 PolarHBondContact O-N 2.78Å; H223-S226 PolarHBondContact O-OG 3.15Å
224	P	62.4	Low	71.2	Confident	79 Å²	79	67.5 Å²	67.5	51%	0.513	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-12.3	-175.5	-29.4	32.8	0	0	0	116.7	S226 D240	P224-S226 VanDerWaalsContact C-N 3.34Å; P224-D240 HydrophobicContact CG-CB 4.36Å
225	C	51.3	Low	69.8	Low	107 Å²	107	69.3 Å²	69.3	72%	0.723	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-4.9	179.1	-52.9	0	0	0	0	113.8	H223 N227	H223-C225 PolarHBondContact ND1-SG 2.85Å; H223-C225 PolarHBondContact O-N 2.85Å; C225-N227 PolarHBondContact O-N 2.9Å
226	S	55.7	Low	68.6	Low	45 Å²	45	77.1 Å²	77.1	32%	0.315	40%	0.397	S	S	.	.			trans	-96	70.7	-179.5	77.7	0	0	0	0	112.6	R222 H223 P224 R228	R222-S226 VanDerWaalsContact CB-OG 3.26Å; R222-S226 WeakPolarHBondContact CB-OG 3.08Å; R222-S226 VanDerWaalsContact CD-OG 3.3Å; R222-S226 WeakPolarHBondContact CD-OG 3.4Å; H223-S226 PolarHBondContact O-N 2.78Å; H223-S226 PolarHBondContact O-OG 3.15Å; P224-S226 VanDerWaalsContact C-N 3.34Å; S226-R228 VanDerWaalsContact C-N 3.3Å; S226-R228 PolarHBondContact O-N 2.83Å
227	N	54.1	Low	68.3	Low	112 Å²	112	79.7 Å²	79.7	60%	0.599	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-4.6	-173	-96.5	-14.2	0	0	0	116.3	C225 Y229	C225-N227 PolarHBondContact O-N 2.9Å; N227-Y229 VanDerWaalsContact C-N 3.34Å; N227-Y229 PolarHBondContact O-N 3.25Å
228	R	56	Low	68.3	Low	210 Å²	210	77.9 Å²	77.9	79%	0.792	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-15.3	-171	-72.8	-172.9	-176	177.6	2.7	116.2	S226	S226-R228 VanDerWaalsContact C-N 3.3Å; S226-R228 PolarHBondContact O-N 2.83Å
229	Y	56.8	Low	68.3	Low	42 Å²	42	79.7 Å²	79.7	17%	0.165	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-26.3	-171	-76.2	-78.2	0	0	0	115.4	E178 V179 N227 E231 R232	E178-Y229 PolarHBondContact O-OH 3.26Å; V179-Y229 WeakPolarHBondContact CA-OH 3.47Å; V179-Y229 HydrophobicContact CG1-CE1 3.94Å; V179-Y229 PolarHBondContact O-OH 2.79Å; N227-Y229 VanDerWaalsContact C-N 3.34Å; N227-Y229 PolarHBondContact O-N 3.25Å; Y229-E231 PolarHBondContact O-N 2.79Å; Y229-R232 PolarHBondContact O-N 3.35Å
230	R	56.3	Low	67.9	Low	133 Å²	133	82.7 Å²	82.7	50%	0.502	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-65.6	-27.9	-178.4	-75.7	-174.1	176.5	-179.6	0.6	112.5	R232 D240	R230-R232 PolarHBondContact O-N 2.87Å; R230-R232 VanDerWaalsContact O-N 3.12Å; R230-D240 IonicContact CZ-OD1 3.19Å; R230-D240 IonicContact CZ-OD2 3.02Å; R230-D240 IonicContact NH2-OD1 3.77Å; R230-D240 PolarHBondContact NH2-OD1 2.9Å; R230-D240 IonicContact NH2-OD2 3.08Å; R230-D240 PolarHBondContact NH2-OD2 2.89Å
231	E	52.9	Low	67.8	Low	167 Å²	167	85.5 Å²	85.5	78%	0.78	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-68.1	-8.8	-178.1	-64.8	178.4	173.9	0	0	114.5	Y229	Y229-E231 PolarHBondContact O-N 2.79Å
232	R	54.5	Low	67.8	Low	155 Å²	155	85.5 Å²	85.5	59%	0.585	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-120.9	20.5	-170.2	-67.4	-174.1	176	161.4	-1.7	115.9	Y229 R230 W234	Y229-R232 PolarHBondContact O-N 3.35Å; R230-R232 PolarHBondContact O-N 2.87Å; R230-R232 VanDerWaalsContact O-N 3.12Å; R232-W234 PolarHBondContact O-N 3.03Å
233	G	55.7	Low	68	Low	61 Å²	61	91.1 Å²	91.1	63%	0.629	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	16.5	170.9	0	0	0	0	0	115.5	S235	G233-S235 VanDerWaalsContact C-N 3.27Å
234	W	62.3	Low	68.9	Low	45 Å²	45	89 Å²	89	17%	0.17	45%	0.448	C	S	.	.			trans	-91.1	15.5	171.2	-73.5	51.8	0	0	0	112.4	E149 F212 H216 R232 E236 H238	E149-W234 HydrophobicContact CG-CZ2 4.26Å; F212-W234 AromaticContact CE1-CH2 3.93Å; F212-W234 HydrophobicContact CE1-CH2 3.93Å; F212-W234 HydrophobicContact CE1-CZ2 4.46Å; F212-W234 HydrophobicContact CZ-CH2 4.07Å; F212-W234 HydrophobicContact CZ-CZ2 4.49Å; H216-W234 HydrophobicContact CB-CH2 4.12Å; H216-W234 HydrophobicContact CB-CZ3 4.29Å; H216-W234 AromaticContact CD2-CH2 3.21Å; H216-W234 WeakPolarHBondContact CD2-CH2 3.3Å; H216-W234 AromaticContact CD2-CZ2 3.43Å; H216-W234 VanDerWaalsContact CD2-CZ2 3.43Å; H216-W234 WeakPolarHBondContact CD2-CZ2 3.44Å; H216-W234 AromaticContact CD2-CZ3 3.83Å; H216-W234 AromaticContact CG-CH2 3.88Å; H216-W234 AromaticContact NE2-CZ2 3.92Å; R232-W234 PolarHBondContact O-N 3.03Å; W234-E236 VanDerWaalsContact C-N 3.34Å; W234-E236 PolarHBondContact O-N 3.35Å; W234-H238 AromaticContact CE3-CE1 3.98Å; W234-H238 PolarHBondContact O-ND1 3.13Å
235	S	61	Low	70.4	Confident	70 Å²	70	85.2 Å²	85.2	49%	0.49	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-61.2	-34.7	-167.6	52.4	0	0	0	0	114.3	G233 R237 H238	G233-S235 VanDerWaalsContact C-N 3.27Å; S235-R237 PolarHBondContact O-N 2.84Å; S235-H238 PolarHBondContact O-N 2.82Å
236	E	63.8	Low	72.4	Confident	164 Å²	164	80.7 Å²	80.7	77%	0.766	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-66.6	-14.6	-170	-64.9	-172.4	167.5	0	0	115.4	W234	W234-E236 VanDerWaalsContact C-N 3.34Å; W234-E236 PolarHBondContact O-N 3.35Å
237	R	81	Confident	74.1	Confident	115 Å²	115	81.3 Å²	81.3	43%	0.434	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-120.5	11.3	-178.3	-61.3	-174.5	-174.5	-170.3	-3.1	113.6	A217 G218 H220 S235	A217-R237 PolarHBondContact O-NH1 2.83Å; G218-R237 WeakPolarHBondContact O-CD 3.39Å; H220-R237 PolarHBondContact N-O 3.08Å; S235-R237 PolarHBondContact O-N 2.84Å
238	H	86.2	Confident	76	Confident	27 Å²	27	78.6 Å²	78.6	13%	0.125	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.1	179.5	-75	80.2	0	0	0	110.4	H220 W234 S235	H220-H238 AromaticContact CD2-CE1 3.91Å; H220-H238 AromaticContact CD2-NE2 3.85Å; H220-H238 AromaticContact CG-NE2 3.96Å; H220-H238 WeakPolarHBondContact O-CA 3.25Å; W234-H238 AromaticContact CE3-CE1 3.98Å; W234-H238 PolarHBondContact O-ND1 3.13Å; S235-H238 PolarHBondContact O-N 2.82Å
239	F	89.3	Confident	77.7	Confident	40 Å²	40	68.6 Å²	68.6	18%	0.175	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	150.5	-179.6	-61.4	-89.8	0	0	0	110.2	I219 H220 V221 R222 A244 A245 H248	I219-F239 HydrophobicContact CG2-CD2 3.43Å; I219-F239 VanDerWaalsContact CG2-CD2 3.43Å; I219-F239 HydrophobicContact CG2-CE2 3.55Å; H220-F239 PolarHBondContact O-N 3.28Å; V221-F239 WeakPolarHBondContact CA-O 3.45Å; R222-F239 PolarHBondContact N-O 2.84Å; R222-F239 VanDerWaalsContact N-O 3.15Å; F239-A244 HydrophobicContact CB-CB 4.32Å; F239-A244 HydrophobicContact CD1-CB 3.74Å; F239-A244 HydrophobicContact CG-CB 4.37Å; F239-A245 HydrophobicContact CB-CB 4.13Å; F239-A245 HydrophobicContact CD2-CB 3.92Å; F239-A245 HydrophobicContact CG-CB 4.07Å; F239-H248 HydrophobicContact CE1-CB 4.03Å; F239-H248 HydrophobicContact CE2-CB 4.11Å; F239-H248 HydrophobicContact CZ-CB 3.49Å; F239-H248 VanDerWaalsContact CZ-CB 3.49Å; F239-H248 AromaticContact CZ-CG 3.51Å; F239-H248 AromaticContact CZ-ND1 3.71Å
240	D	85	Confident	79.4	Confident	66 Å²	66	73 Å²	73	35%	0.353	37%	0.366	S	S	.	.	S	Bend	trans	-88.2	-19.9	-180	-60.6	-22.6	0	0	0	112	P224 R230	P224-D240 HydrophobicContact CG-CB 4.36Å; R230-D240 IonicContact CZ-OD1 3.19Å; R230-D240 IonicContact CZ-OD2 3.02Å; R230-D240 IonicContact NH2-OD1 3.77Å; R230-D240 PolarHBondContact NH2-OD1 2.9Å; R230-D240 IonicContact NH2-OD2 3.08Å; R230-D240 PolarHBondContact NH2-OD2 2.89Å
241	T	89.3	Confident	80.9	Confident	60 Å²	60	75 Å²	75	37%	0.368	38%	0.378	S	S	.	.	S	Bend	trans	-129.6	153.1	-179.1	68.8	0	0	0	0	111.4	E243 A244 A245	T241-E243 VanDerWaalsContact C-N 3.34Å; T241-A244 WeakPolarHBondContact OG1-CB 3.48Å; T241-A244 PolarHBondContact OG1-N 3.47Å; T241-A245 PolarHBondContact O-N 2.8Å
242	I	92.5	Very high	82.6	Confident	0 Å²	0	71 Å²	71	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-70.1	-37.5	179.4	-55.2	166.1	0	0	0	109.9	V221 A244 A245 L246 I259 Y264 E267 L269 I291	V221-I242 HydrophobicContact CG1-CG1 3.97Å; I242-A244 PolarHBondContact O-N 3.16Å; I242-A245 PolarHBondContact O-N 2.98Å; I242-L246 HydrophobicContact CG2-CD1 4.17Å; I242-L246 HydrophobicContact CG2-CG 4.38Å; I242-L246 WeakPolarHBondContact O-CG 3.07Å; I242-L246 PolarHBondContact O-N 3.26Å; I242-I259 HydrophobicContact CD1-CD1 3.69Å; I242-I259 HydrophobicContact CD1-CG1 4.47Å; I242-I259 HydrophobicContact CD1-CG2 4.4Å; I242-I259 HydrophobicContact CG1-CD1 3.96Å; I242-I259 HydrophobicContact CG1-CG1 4.31Å; I242-I259 HydrophobicContact CG2-CD1 4.14Å; I242-Y264 HydrophobicContact CD1-CD1 4.26Å; I242-Y264 HydrophobicContact CD1-CD2 4.41Å; I242-Y264 HydrophobicContact CD1-CG 3.9Å; I242-Y264 HydrophobicContact CG1-CD1 4.21Å; I242-Y264 HydrophobicContact CG1-CG 4.36Å; I242-E267 HydrophobicContact CD1-CG 4.35Å; I242-L269 HydrophobicContact CB-CD1 4.15Å; I242-L269 HydrophobicContact CB-CD2 4.02Å; I242-L269 HydrophobicContact CD1-CD1 4.23Å; I242-L269 HydrophobicContact CG2-CD1 3.64Å; I242-L269 HydrophobicContact CG2-CD2 3.96Å; I242-L269 HydrophobicContact CG2-CG 4.49Å; I242-I291 HydrophobicContact CD1-CD1 4.02Å; I242-I291 HydrophobicContact CD1-CG1 3.89Å; I242-I291 HydrophobicContact CD1-CG2 4.16Å
243	E	90.8	Very high	84	Confident	133 Å²	133	70.1 Å²	70.1	62%	0.621	37%	0.369	S	S	*	.	H	α-helix	trans	-57	-44.8	176.5	-172.8	178.6	-168	0	0	112.6	T241 A245 L246 A247 L269	T241-E243 VanDerWaalsContact C-N 3.34Å; E243-A245 PolarHBondContact O-N 3.47Å; E243-L246 PolarHBondContact O-N 2.96Å; E243-A247 PolarHBondContact O-N 2.79Å; E243-L269 HydrophobicContact CB-CD2 4.41Å
244	A	90.7	Very high	85.2	Confident	37 Å²	37	68.7 Å²	68.7	31%	0.306	35%	0.347	S	S	.	.	H	α-helix	trans	-65.6	-40.5	178.8	0	0	0	0	0	112	F239 T241 I242 A247 H248	F239-A244 HydrophobicContact CB-CB 4.32Å; F239-A244 HydrophobicContact CD1-CB 3.74Å; F239-A244 HydrophobicContact CG-CB 4.37Å; T241-A244 WeakPolarHBondContact OG1-CB 3.48Å; T241-A244 PolarHBondContact OG1-N 3.47Å; I242-A244 PolarHBondContact O-N 3.16Å; A244-A247 PolarHBondContact O-N 3.3Å; A244-H248 PolarHBondContact O-N 2.85Å
245	A	93.1	Very high	86.7	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-63.6	-40.2	173.8	0	0	0	0	0	112.1	I219 V221 F239 T241 I242 E243 H248 S249 I257	I219-A245 HydrophobicContact CG2-CB 3.75Å; V221-A245 HydrophobicContact CG2-CB 3.48Å; V221-A245 VanDerWaalsContact CG2-CB 3.48Å; F239-A245 HydrophobicContact CB-CB 4.13Å; F239-A245 HydrophobicContact CD2-CB 3.92Å; F239-A245 HydrophobicContact CG-CB 4.07Å; T241-A245 PolarHBondContact O-N 2.8Å; I242-A245 PolarHBondContact O-N 2.98Å; E243-A245 PolarHBondContact O-N 3.47Å; A245-H248 PolarHBondContact O-N 3.48Å; A245-S249 WeakPolarHBondContact O-CB 3.16Å; A245-S249 PolarHBondContact O-N 3.4Å; A245-I257 HydrophobicContact CB-CD1 4.11Å; A245-I257 HydrophobicContact CB-CG2 4.1Å
246	L	93.4	Very high	88.3	Confident	12 Å²	12	64.2 Å²	64.2	6%	0.063	32%	0.321	C	S	.	.	H	α-helix	trans	-63.9	-42.7	174.8	-77.7	171.8	0	0	0	112	I242 E243 H248 S249 K250 I257 L269 I271 V275 I277	I242-L246 HydrophobicContact CG2-CD1 4.17Å; I242-L246 HydrophobicContact CG2-CG 4.38Å; I242-L246 WeakPolarHBondContact O-CG 3.07Å; I242-L246 PolarHBondContact O-N 3.26Å; E243-L246 PolarHBondContact O-N 2.96Å; L246-H248 VanDerWaalsContact C-N 3.34Å; L246-H248 PolarHBondContact O-N 3.38Å; L246-S249 WeakPolarHBondContact CA-OG 3.38Å; L246-S249 PolarHBondContact O-N 2.84Å; L246-S249 PolarHBondContact O-OG 3.45Å; L246-K250 PolarHBondContact O-N 3.36Å; L246-I257 HydrophobicContact CD2-CD1 3.87Å; L246-I257 HydrophobicContact CG-CD1 4.23Å; L246-L269 HydrophobicContact CD1-CB 4.07Å; L246-L269 HydrophobicContact CD1-CD1 4.48Å; L246-L269 HydrophobicContact CD1-CD2 3.76Å; L246-L269 HydrophobicContact CD1-CG 4.32Å; L246-I271 HydrophobicContact CD1-CG1 4.49Å; L246-I271 HydrophobicContact CD2-CG1 4.47Å; L246-V275 HydrophobicContact CD2-CG1 3.94Å; L246-V275 HydrophobicContact CD2-CG2 4.29Å; L246-I277 HydrophobicContact CD2-CD1 3.94Å
247	A	92.6	Very high	89.8	Confident	58 Å²	58	56.4 Å²	56.4	48%	0.479	29%	0.285	S	S	.	.	H	α-helix	trans	-61.4	-41.9	176	0	0	0	0	0	112	E243 A244	E243-A247 PolarHBondContact O-N 2.79Å; A244-A247 PolarHBondContact O-N 3.3Å
248	H	92.2	Very high	90.4	Very high	55 Å²	55	50.9 Å²	50.9	26%	0.255	26%	0.264	S	S	.	.	H	α-helix	trans	-65.1	-40.5	174.4	-176	91.9	0	0	0	112.1	F239 A244 A245 L246 K250 K251	F239-H248 HydrophobicContact CE1-CB 4.03Å; F239-H248 HydrophobicContact CE2-CB 4.11Å; F239-H248 HydrophobicContact CZ-CB 3.49Å; F239-H248 VanDerWaalsContact CZ-CB 3.49Å; F239-H248 AromaticContact CZ-CG 3.51Å; F239-H248 AromaticContact CZ-ND1 3.71Å; A244-H248 PolarHBondContact O-N 2.85Å; A245-H248 PolarHBondContact O-N 3.48Å; L246-H248 VanDerWaalsContact C-N 3.34Å; L246-H248 PolarHBondContact O-N 3.38Å; H248-K250 PolarHBondContact O-N 2.89Å; H248-K250 VanDerWaalsContact O-N 3.12Å; H248-K251 WeakPolarHBondContact O-CB 3.42Å; H248-K251 PolarHBondContact O-N 3.42Å; H248-K251 VanDerWaalsContact O-N 3.08Å
249	S	93.4	Very high	90.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-23.2	-176.9	76.7	0	0	0	0	114.1	A245 L246 K251 L252 H273	A245-S249 WeakPolarHBondContact O-CB 3.16Å; A245-S249 PolarHBondContact O-N 3.4Å; L246-S249 WeakPolarHBondContact CA-OG 3.38Å; L246-S249 PolarHBondContact O-N 2.84Å; L246-S249 PolarHBondContact O-OG 3.45Å; S249-K251 PolarHBondContact O-N 2.99Å; S249-K251 VanDerWaalsContact O-N 3.13Å; S249-L252 PolarHBondContact O-N 3.39Å; S249-L252 VanDerWaalsContact O-O 3.06Å; S249-H273 PolarHBondContact OG-CE1 2.9Å; S249-H273 PolarHBondContact OG-NE2 2.83Å
250	K	90.9	Very high	90.9	Very high	135 Å²	135	48 Å²	48	59%	0.587	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-20.2	175.4	-69.1	-179.1	177.7	-179.3	0	113.6	L246 H248	L246-K250 PolarHBondContact O-N 3.36Å; H248-K250 PolarHBondContact O-N 2.89Å; H248-K250 VanDerWaalsContact O-N 3.12Å
251	K	88.8	Confident	91.2	Very high	175 Å²	175	47.3 Å²	47.3	76%	0.761	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-7.3	178.7	-58.2	179.4	-177.8	179.8	0	113.2	H248 S249	H248-K251 WeakPolarHBondContact O-CB 3.42Å; H248-K251 PolarHBondContact O-N 3.42Å; H248-K251 VanDerWaalsContact O-N 3.08Å; S249-K251 PolarHBondContact O-N 2.99Å; S249-K251 VanDerWaalsContact O-N 3.13Å
252	L	88.3	Confident	91.3	Very high	82 Å²	82	45.4 Å²	45.4	43%	0.429	24%	0.244	S	C	.	.	S	Bend	trans	-119.2	141.6	-173.4	-59	175.3	0	0	0	109.4	I219 S249 A255	I219-L252 HydrophobicContact CD1-CD1 4Å; S249-L252 PolarHBondContact O-N 3.39Å; S249-L252 VanDerWaalsContact O-O 3.06Å; L252-A255 HydrophobicContact CB-CB 4.05Å; L252-A255 HydrophobicContact CD1-CB 4.37Å
253	D	83.8	Confident	91.2	Very high	137 Å²	137	48.5 Å²	48.5	73%	0.733	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	134.7	167.2	-170.3	24.2	0	0	0	110	A255	D253-A255 VanDerWaalsContact C-N 3.3Å; D253-A255 PolarHBondContact O-N 3.12Å
254	D	82	Confident	91.2	Very high	31 Å²	31	42.6 Å²	42.6	17%	0.166	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	39.9	178.9	-159.9	36.1	0	0	0	115.6	R188 R191 L256 Q276	R188-D254 IonicContact NH2-OD2 2.59Å; R188-D254 PolarHBondContact NH2-OD2 2.93Å; R191-D254 WeakPolarHBondContact CD-OD2 3.3Å; R191-D254 IonicContact CZ-OD1 3Å; R191-D254 IonicContact CZ-OD2 3.62Å; R191-D254 IonicContact NE-OD1 2.83Å; R191-D254 PolarHBondContact NE-OD1 3.27Å; R191-D254 IonicContact NE-OD2 3.28Å; R191-D254 PolarHBondContact NE-OD2 3.46Å; R191-D254 IonicContact NH2-OD1 2.71Å; R191-D254 PolarHBondContact NH2-OD1 3.04Å; R191-D254 IonicContact NH2-OD2 3.98Å; D254-L256 PolarHBondContact O-N 3.45Å; D254-Q276 PolarHBondContact OD1-NE2 3.22Å; D254-Q276 PolarHBondContact OD2-NE2 2.88Å
255	A	92.5	Very high	91	Very high	5 Å²	5	43.4 Å²	43.4	4%	0.041	24%	0.242	C	C	.	.			trans	-51.8	137.4	-179.7	0	0	0	0	0	112.9	I219 L252 D253 V275 Q276	I219-A255 HydrophobicContact CD1-CB 4.33Å; L252-A255 HydrophobicContact CB-CB 4.05Å; L252-A255 HydrophobicContact CD1-CB 4.37Å; D253-A255 VanDerWaalsContact C-N 3.3Å; D253-A255 PolarHBondContact O-N 3.12Å; A255-V275 HydrophobicContact CB-CG2 4.24Å; A255-Q276 PolarHBondContact O-N 3.28Å
256	L	94.1	Very high	90.4	Very high	16 Å²	16	48.5 Å²	48.5	8%	0.084	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	113.7	179.1	-170	63	0	0	0	109.2	F194 L214 G218 I219 D254 F258 Q276 I278	F194-L256 HydrophobicContact CE1-CD1 4.12Å; F194-L256 HydrophobicContact CZ-CD1 3.78Å; L214-L256 HydrophobicContact CD1-CD2 3.55Å; L214-L256 HydrophobicContact CG-CD2 4.11Å; G218-L256 WeakPolarHBondContact CA-O 3.39Å; I219-L256 PolarHBondContact N-O 2.9Å; D254-L256 PolarHBondContact O-N 3.45Å; L256-F258 HydrophobicContact CD1-CE1 4.44Å; L256-F258 HydrophobicContact CD1-CZ 4.35Å; L256-F258 HydrophobicContact CD2-CE1 4.02Å; L256-F258 HydrophobicContact CD2-CE2 3.76Å; L256-F258 HydrophobicContact CD2-CZ 3.21Å; L256-F258 HydrophobicContact CG-CE1 4.01Å; L256-F258 HydrophobicContact CG-CE2 3.85Å; L256-F258 HydrophobicContact CG-CZ 3.5Å; L256-F258 VanDerWaalsContact CG-CZ 3.5Å; L256-Q276 CarbonylContact C-O 3.58Å; L256-Q276 WeakPolarHBondContact CA-O 3.35Å; L256-Q276 HydrophobicContact CD1-CB 3.61Å; L256-I278 HydrophobicContact CD1-CD1 3.63Å; L256-I278 HydrophobicContact CD1-CG1 4.15Å
257	I	95.3	Very high	89.9	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.7	-179.7	-57.3	177.5	0	0	0	108.8	I219 V221 A245 L246 I259 V275 Q276 I277 I278	I219-I257 HydrophobicContact CB-CG1 4.19Å; I219-I257 HydrophobicContact CD1-CG1 4.17Å; I219-I257 HydrophobicContact CG2-CG1 4.47Å; I219-I257 CarbonylContact O-C 3.54Å; I219-I257 WeakPolarHBondContact O-CA 3.44Å; V221-I257 HydrophobicContact CG2-CG2 3.78Å; A245-I257 HydrophobicContact CB-CD1 4.11Å; A245-I257 HydrophobicContact CB-CG2 4.1Å; L246-I257 HydrophobicContact CD2-CD1 3.87Å; L246-I257 HydrophobicContact CG-CD1 4.23Å; I257-I259 HydrophobicContact CG2-CG1 4.38Å; I257-V275 HydrophobicContact CD1-CG2 3.61Å; I257-V275 HydrophobicContact CG1-CG2 3.98Å; I257-Q276 PolarHBondContact N-O 2.85Å; I257-I277 WeakPolarHBondContact O-CA 3.48Å; I257-I278 PolarHBondContact O-N 2.9Å
258	F	94.6	Very high	89.6	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	116.6	173.5	-60.5	-68.2	0	0	0	109.8	L186 L214 L215 I219 H220 V221 L256 I278 A280	L186-F258 HydrophobicContact CD2-CD1 4.38Å; L186-F258 HydrophobicContact CD2-CE1 3.53Å; L186-F258 HydrophobicContact CD2-CZ 4.26Å; L214-F258 HydrophobicContact CG-CZ 4.28Å; L215-F258 HydrophobicContact CD2-CD1 3.78Å; L215-F258 HydrophobicContact CD2-CD2 3.98Å; L215-F258 HydrophobicContact CD2-CE1 3.57Å; L215-F258 HydrophobicContact CD2-CE2 3.74Å; L215-F258 HydrophobicContact CD2-CG 3.97Å; L215-F258 HydrophobicContact CD2-CZ 3.52Å; I219-F258 PolarHBondContact O-N 2.84Å; H220-F258 WeakPolarHBondContact CA-O 3.26Å; H220-F258 AromaticContact CE1-CD2 3.57Å; H220-F258 AromaticContact ND1-CD2 3.75Å; V221-F258 PolarHBondContact N-O 3.4Å; L256-F258 HydrophobicContact CD1-CE1 4.44Å; L256-F258 HydrophobicContact CD1-CZ 4.35Å; L256-F258 HydrophobicContact CD2-CE1 4.02Å; L256-F258 HydrophobicContact CD2-CE2 3.76Å; L256-F258 HydrophobicContact CD2-CZ 3.21Å; L256-F258 HydrophobicContact CG-CE1 4.01Å; L256-F258 HydrophobicContact CG-CE2 3.85Å; L256-F258 HydrophobicContact CG-CZ 3.5Å; L256-F258 VanDerWaalsContact CG-CZ 3.5Å; F258-I278 WeakPolarHBondContact CA-O 3.42Å; F258-I278 HydrophobicContact CD1-CB 4.19Å; F258-I278 HydrophobicContact CE1-CB 4.47Å; F258-I278 HydrophobicContact CE1-CD1 4.3Å; F258-A280 HydrophobicContact CD1-CB 4.48Å
259	I	94.2	Very high	89.6	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	112.5	174.3	-55.1	174.7	0	0	0	107.3	V221 I242 I257 Y264 I277 I278 G279 A280 V289 I291	V221-I259 HydrophobicContact CB-CG1 4.48Å; I242-I259 HydrophobicContact CD1-CD1 3.69Å; I242-I259 HydrophobicContact CD1-CG1 4.47Å; I242-I259 HydrophobicContact CD1-CG2 4.4Å; I242-I259 HydrophobicContact CG1-CD1 3.96Å; I242-I259 HydrophobicContact CG1-CG1 4.31Å; I242-I259 HydrophobicContact CG2-CD1 4.14Å; I257-I259 HydrophobicContact CG2-CG1 4.38Å; I259-Y264 HydrophobicContact CG2-CD2 3.73Å; I259-Y264 HydrophobicContact CG2-CE1 4.27Å; I259-Y264 HydrophobicContact CG2-CE2 3.19Å; I259-Y264 HydrophobicContact CG2-CG 4.46Å; I259-Y264 VanDerWaalsContact CG2-CZ 3.5Å; I259-I277 HydrophobicContact CD1-CG2 3.35Å; I259-I277 HydrophobicContact CG1-CG2 3.96Å; I259-I278 PolarHBondContact N-O 2.88Å; I259-G279 WeakPolarHBondContact O-CA 3.48Å; I259-A280 PolarHBondContact O-N 3.24Å; I259-V289 HydrophobicContact CB-CG1 3.84Å; I259-V289 HydrophobicContact CG2-CG1 3.42Å; I259-V289 VanDerWaalsContact CG2-CG1 3.42Å; I259-V289 WeakPolarHBondContact O-CG2 3.13Å; I259-I291 HydrophobicContact CD1-CD1 3.78Å; I259-I291 HydrophobicContact CD1-CG1 4.46Å
260	H	92.3	Very high	89.5	Confident	6 Å²	6	51.1 Å²	51.1	3%	0.028	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	166.1	-179.3	-69.2	-97.5	0	0	0	111.7	Y182 H220 V221 R222 G262 Y264 A280	Y182-H260 AromaticContact CE1-ND1 3.83Å; Y182-H260 AromaticContact CZ-CE1 3.84Å; Y182-H260 AromaticContact CZ-ND1 3.75Å; Y182-H260 PolarHBondContact OH-CE1 3.2Å; Y182-H260 PolarHBondContact OH-ND1 3.43Å; H220-H260 AromaticContact CG-NE2 3.61Å; H220-H260 AromaticContact ND1-CE1 3.85Å; H220-H260 AromaticContact ND1-NE2 3.03Å; H220-H260 PolarHBondContact ND1-NE2 3.32Å; V221-H260 PolarHBondContact O-CD2 2.7Å; V221-H260 VanDerWaalsContact O-CD2 3.27Å; V221-H260 PolarHBondContact O-N 2.72Å; R222-H260 HydrophobicContact CG-CB 3.87Å; R222-H260 WeakPolarHBondContact CG-CD2 3.27Å; R222-H260 PolarHBondContact NH2-CE1 3.48Å; H260-G262 PolarHBondContact O-N 3.3Å; H260-Y264 VanDerWaalsContact O-CE2 3.26Å; H260-Y264 WeakPolarHBondContact O-CE2 3.34Å; H260-Y264 PolarHBondContact O-OH 3.46Å; H260-A280 VanDerWaalsContact CA-O 3.28Å; H260-A280 WeakPolarHBondContact CA-O 3.27Å
261	S	91.6	Very high	89.7	Confident	51 Å²	51	44.7 Å²	44.7	36%	0.357	25%	0.246	S	C	.	.	S	Bend	trans	-46	136	177.7	53.3	0	0	0	0	112.7	A280 S288	S261-A280 PolarHBondContact N-O 2.75Å; S261-S288 WeakPolarHBondContact CA-O 3.46Å
262	G	90	Very high	89.9	Confident	21 Å²	21	38.8 Å²	38.8	22%	0.216	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.4	168.4	-177.3	0	0	0	0	0	113.4	H260 S288 I290	H260-G262 PolarHBondContact O-N 3.3Å; G262-S288 PolarHBondContact N-O 3.03Å; G262-I290 PolarHBondContact O-N 2.86Å
263	T	91.1	Very high	90.2	Very high	64 Å²	64	36.5 Å²	36.5	39%	0.393	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	114.7	170.3	-58.7	0	0	0	0	109.1	I290 Q292	T263-I290 CarbonylContact C-O 3.54Å; T263-I290 WeakPolarHBondContact CA-O 3.31Å; T263-I290 HydrophobicContact CG2-CB 4.27Å; T263-I290 HydrophobicContact CG2-CG2 4.2Å; T263-Q292 HydrophobicContact CG2-CB 4.47Å
264	Y	91	Very high	90.7	Very high	9 Å²	9	31.6 Å²	31.6	4%	0.035	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	96.7	178.9	-59.5	-92.2	0	0	0	107.9	V221 I242 I259 H260 V289 I290 Q292	V221-Y264 HydrophobicContact CG1-CD1 4.29Å; V221-Y264 HydrophobicContact CG1-CE1 3.68Å; V221-Y264 PolarHBondContact O-OH 2.65Å; I242-Y264 HydrophobicContact CD1-CD1 4.26Å; I242-Y264 HydrophobicContact CD1-CD2 4.41Å; I242-Y264 HydrophobicContact CD1-CG 3.9Å; I242-Y264 HydrophobicContact CG1-CD1 4.21Å; I242-Y264 HydrophobicContact CG1-CG 4.36Å; I259-Y264 HydrophobicContact CG2-CD2 3.73Å; I259-Y264 HydrophobicContact CG2-CE1 4.27Å; I259-Y264 HydrophobicContact CG2-CE2 3.19Å; I259-Y264 HydrophobicContact CG2-CG 4.46Å; I259-Y264 VanDerWaalsContact CG2-CZ 3.5Å; H260-Y264 VanDerWaalsContact O-CE2 3.26Å; H260-Y264 WeakPolarHBondContact O-CE2 3.34Å; H260-Y264 PolarHBondContact O-OH 3.46Å; Y264-V289 HydrophobicContact CE2-CG1 4.4Å; Y264-I290 PolarHBondContact N-O 2.8Å; Y264-Q292 PolarHBondContact O-N 2.85Å
265	A	85.9	Confident	91.3	Very high	55 Å²	55	30.1 Å²	30.1	46%	0.455	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	153.2	-171.4	0	0	0	0	0	112.9	E267 Q292	A265-E267 VanDerWaalsContact C-N 3.26Å; A265-E267 PolarHBondContact O-N 2.95Å; A265-Q292 CarbonylContact C-O 3.22Å; A265-Q292 VanDerWaalsContact C-O 3.32Å; A265-Q292 WeakPolarHBondContact CA-O 3.28Å
266	N	81.6	Confident	91.4	Very high	106 Å²	106	29.9 Å²	29.9	57%	0.567	18%	0.178	S	C	*	.	S	Bend	trans	61.9	28	-179	-51.8	-33.2	0	0	0	114.1	Q292 K294	N266-Q292 PolarHBondContact N-O 2.91Å; N266-K294 WeakPolarHBondContact OD1-CD 3.12Å; N266-K294 WeakPolarHBondContact OD1-CE 3.31Å; N266-K294 WeakPolarHBondContact OD1-CG 3.42Å
267	E	82	Confident	91.5	Very high	19 Å²	19	29.1 Å²	29.1	9%	0.089	17%	0.174	C	C	.	.			trans	-80.8	138.8	177.8	-65.2	-75.2	-171.9	0	0	110.9	I242 A265 L269 I291 Q292 G293	I242-E267 HydrophobicContact CD1-CG 4.35Å; A265-E267 VanDerWaalsContact C-N 3.26Å; A265-E267 PolarHBondContact O-N 2.95Å; E267-L269 HydrophobicContact CB-CG 4.32Å; E267-L269 WeakPolarHBondContact OE2-CD2 3.44Å; E267-I291 HydrophobicContact CB-CG2 3.95Å; E267-I291 HydrophobicContact CG-CG2 4.28Å; E267-Q292 PolarHBondContact N-O 3.07Å; E267-G293 WeakPolarHBondContact O-CA 3.47Å
268	S	85.8	Confident	91.6	Very high	38 Å²	38	29.1 Å²	29.1	27%	0.266	17%	0.174	S	C	.	.			trans	-139.7	96	167.6	-169.6	0	0	0	0	108.5	T297 V298	S268-T297 PolarHBondContact OG-O 2.86Å; S268-V298 WeakPolarHBondContact CA-O 3.43Å
269	L	92	Very high	91.6	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	120.5	-165.7	-56.6	172.7	0	0	0	110.7	I242 E243 L246 E267 I291 V298 I299 N300	I242-L269 HydrophobicContact CB-CD1 4.15Å; I242-L269 HydrophobicContact CB-CD2 4.02Å; I242-L269 HydrophobicContact CD1-CD1 4.23Å; I242-L269 HydrophobicContact CG2-CD1 3.64Å; I242-L269 HydrophobicContact CG2-CD2 3.96Å; I242-L269 HydrophobicContact CG2-CG 4.49Å; E243-L269 HydrophobicContact CB-CD2 4.41Å; L246-L269 HydrophobicContact CD1-CB 4.07Å; L246-L269 HydrophobicContact CD1-CD1 4.48Å; L246-L269 HydrophobicContact CD1-CD2 3.76Å; L246-L269 HydrophobicContact CD1-CG 4.32Å; E267-L269 HydrophobicContact CB-CG 4.32Å; E267-L269 WeakPolarHBondContact OE2-CD2 3.44Å; L269-I291 HydrophobicContact CD1-CG2 4.17Å; L269-V298 PolarHBondContact N-O 3.48Å; L269-I299 HydrophobicContact CD1-CG1 4.24Å; L269-N300 PolarHBondContact O-N 3.32Å
270	F	92.1	Very high	91.5	Very high	119 Å²	119	29.1 Å²	29.1	52%	0.522	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	104	175.2	-66.9	-94.2	0	0	0	110.6	N300	F270-N300 HydrophobicContact CD1-CB 4.07Å; F270-N300 HydrophobicContact CE1-CB 4.3Å
271	I	94.7	Very high	91.4	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	104.8	-178.3	-57.9	172.3	0	0	0	108.4	L246 V275 I277 I299 N300 F301 C302 A305 A308	L246-I271 HydrophobicContact CD1-CG1 4.49Å; L246-I271 HydrophobicContact CD2-CG1 4.47Å; I271-V275 HydrophobicContact CG2-CG1 3.69Å; I271-I277 HydrophobicContact CD1-CD1 3.58Å; I271-I277 HydrophobicContact CG1-CD1 4.39Å; I271-I299 HydrophobicContact CD1-CG2 3.74Å; I271-N300 PolarHBondContact N-O 2.8Å; I271-F301 HydrophobicContact CB-CD1 3.9Å; I271-F301 HydrophobicContact CB-CE1 4.22Å; I271-F301 HydrophobicContact CD1-CD1 4.03Å; I271-F301 HydrophobicContact CD1-CE1 3.52Å; I271-F301 HydrophobicContact CD1-CZ 3.9Å; I271-F301 HydrophobicContact CG1-CE1 4.47Å; I271-F301 HydrophobicContact CG2-CD1 3.91Å; I271-F301 HydrophobicContact CG2-CE1 4.09Å; I271-C302 PolarHBondContact O-N 3.08Å; I271-A305 HydrophobicContact CG2-CB 4.14Å; I271-A305 WeakPolarHBondContact O-CB 2.98Å; I271-A308 HydrophobicContact CG2-CB 3.98Å
272	S	93.5	Very high	91.3	Very high	52 Å²	52	28.7 Å²	28.7	36%	0.364	17%	0.174	S	C	.	.			trans	-113.3	6.5	-176.8	43.4	0	0	0	0	113.7
273	H	93.5	Very high	91.2	Very high	34 Å²	34	29.9 Å²	29.9	16%	0.157	19%	0.186	C	C	.	.	S	Bend	trans	-144.2	170.5	-178.5	63.6	-73.2	0	0	0	110.9	S249 V275	S249-H273 PolarHBondContact OG-CE1 2.9Å; S249-H273 PolarHBondContact OG-NE2 2.83Å; H273-V275 PolarHBondContact O-N 2.82Å
274	N	94.5	Very high	91.2	Very high	33 Å²	33	30.7 Å²	30.7	18%	0.176	19%	0.188	C	C	.	.			trans	-76.3	109.2	180	-59.4	-50.6	0	0	0	110.4	G304 N306 R307	N274-G304 PolarHBondContact OD1-O 3.01Å; N274-N306 PolarHBondContact OD1-N 2.8Å; N274-R307 HydrophobicContact CB-CB 4.26Å; N274-R307 PolarHBondContact ND2-NE 3Å; N274-R307 PolarHBondContact ND2-NH2 3.37Å; N274-R307 WeakPolarHBondContact OD1-CA 3.41Å; N274-R307 WeakPolarHBondContact OD1-CB 3.11Å; N274-R307 PolarHBondContact OD1-N 2.72Å
275	V	94.8	Very high	91.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.19	C	C	.	.			trans	-140.4	146.2	177.5	61.2	0	0	0	0	109.7	L246 A255 I257 I271 H273 I277 A308 Y309	L246-V275 HydrophobicContact CD2-CG1 3.94Å; L246-V275 HydrophobicContact CD2-CG2 4.29Å; A255-V275 HydrophobicContact CB-CG2 4.24Å; I257-V275 HydrophobicContact CD1-CG2 3.61Å; I257-V275 HydrophobicContact CG1-CG2 3.98Å; I271-V275 HydrophobicContact CG2-CG1 3.69Å; H273-V275 PolarHBondContact O-N 2.82Å; V275-I277 HydrophobicContact CG1-CD1 4.33Å; V275-I277 HydrophobicContact CG1-CG1 4.26Å; V275-I277 HydrophobicContact CG2-CG1 4.24Å; V275-A308 CarbonylContact O-C 3.56Å; V275-A308 VanDerWaalsContact O-CA 3.24Å; V275-A308 WeakPolarHBondContact O-CA 3.31Å; V275-Y309 PolarHBondContact O-N 3.19Å
276	Q	95.9	Very high	91.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	111.7	177.1	-63	173.8	98.2	0	0	109.5	D254 A255 L256 I257 Y309	D254-Q276 PolarHBondContact OD1-NE2 3.22Å; D254-Q276 PolarHBondContact OD2-NE2 2.88Å; A255-Q276 PolarHBondContact O-N 3.28Å; L256-Q276 CarbonylContact C-O 3.58Å; L256-Q276 WeakPolarHBondContact CA-O 3.35Å; L256-Q276 HydrophobicContact CD1-CB 3.61Å; I257-Q276 PolarHBondContact N-O 2.85Å; Q276-Y309 HydrophobicContact CB-CD1 4.43Å
277	I	96.2	Very high	92	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125.4	-178.3	-52.6	174.5	0	0	0	108.9	L246 I257 I259 I271 V275 Y309 L310 G311	L246-I277 HydrophobicContact CD2-CD1 3.94Å; I257-I277 WeakPolarHBondContact O-CA 3.48Å; I259-I277 HydrophobicContact CD1-CG2 3.35Å; I259-I277 HydrophobicContact CG1-CG2 3.96Å; I271-I277 HydrophobicContact CD1-CD1 3.58Å; I271-I277 HydrophobicContact CG1-CD1 4.39Å; V275-I277 HydrophobicContact CG1-CD1 4.33Å; V275-I277 HydrophobicContact CG1-CG1 4.26Å; V275-I277 HydrophobicContact CG2-CG1 4.24Å; I277-Y309 PolarHBondContact N-O 3.18Å; I277-L310 HydrophobicContact CB-CD1 3.94Å; I277-L310 HydrophobicContact CG2-CD1 3.91Å; I277-L310 CarbonylContact O-C 3.59Å; I277-L310 WeakPolarHBondContact O-CA 3.41Å; I277-G311 PolarHBondContact O-N 3.36Å
278	I	95.5	Very high	92.5	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	123	-172.5	-46	-168.1	0	0	0	109.3	F194 L256 I257 F258 I259 Y309 G311 F312	F194-I278 HydrophobicContact CB-CD1 4.49Å; F194-I278 HydrophobicContact CD1-CD1 3.4Å; F194-I278 HydrophobicContact CD2-CD1 3.65Å; F194-I278 HydrophobicContact CE1-CD1 3.27Å; F194-I278 HydrophobicContact CE2-CD1 3.54Å; F194-I278 HydrophobicContact CG-CD1 3.58Å; F194-I278 HydrophobicContact CZ-CD1 3.37Å; L256-I278 HydrophobicContact CD1-CD1 3.63Å; L256-I278 HydrophobicContact CD1-CG1 4.15Å; I257-I278 PolarHBondContact O-N 2.9Å; F258-I278 WeakPolarHBondContact CA-O 3.42Å; F258-I278 HydrophobicContact CD1-CB 4.19Å; F258-I278 HydrophobicContact CE1-CB 4.47Å; F258-I278 HydrophobicContact CE1-CD1 4.3Å; I259-I278 PolarHBondContact N-O 2.88Å; I278-Y309 HydrophobicContact CD1-CD1 4.49Å; I278-Y309 HydrophobicContact CD1-CE1 4.12Å; I278-Y309 HydrophobicContact CG1-CD1 4.15Å; I278-Y309 HydrophobicContact CG1-CE1 3.89Å; I278-G311 WeakPolarHBondContact CA-O 3.32Å; I278-F312 HydrophobicContact CG2-CD2 4.04Å
279	G	94.9	Very high	92.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	136.6	165.7	0	0	0	0	0	110.1	I259 V285 G311 F312	I259-G279 WeakPolarHBondContact O-CA 3.48Å; G279-V285 VanDerWaalsContact C-CG1 3.44Å; G279-V285 WeakPolarHBondContact O-CG1 3.2Å; G279-G311 PolarHBondContact N-O 3.1Å; G279-F312 VanDerWaalsContact CA-O 3.31Å; G279-F312 WeakPolarHBondContact CA-O 3.38Å
280	A	92.3	Very high	93.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	113.8	-173.8	0	0	0	0	0	109.7	Y182 F196 F258 I259 H260 S261	Y182-A280 HydrophobicContact CE1-CB 3.85Å; Y182-A280 WeakPolarHBondContact CE1-O 3.31Å; Y182-A280 HydrophobicContact CE2-CB 3.69Å; Y182-A280 WeakPolarHBondContact OH-CB 3.25Å; F196-A280 HydrophobicContact CZ-CB 4.5Å; F258-A280 HydrophobicContact CD1-CB 4.48Å; I259-A280 PolarHBondContact O-N 3.24Å; H260-A280 VanDerWaalsContact CA-O 3.28Å; H260-A280 WeakPolarHBondContact CA-O 3.27Å; S261-A280 PolarHBondContact N-O 2.75Å
281	A	91.1	Very high	93.2	Very high	2 Å²	2	23.5 Å²	23.5	2%	0.017	15%	0.147	C	C	.	.			trans	-156.2	170.2	-173.8	0	0	0	0	0	109.4	V285 V289	A281-V285 HydrophobicContact CB-CG1 4.38Å; A281-V289 HydrophobicContact CB-CG2 4.07Å
282	A	88.3	Confident	93	Very high	45 Å²	45	25.1 Å²	25.1	37%	0.372	16%	0.155	S	C	.	.	S	Bend	trans	-74.8	154.7	167.3	0	0	0	0	0	111.5	E181 D183	E181-A282 WeakPolarHBondContact O-CB 3.26Å; D183-A282 WeakPolarHBondContact OD1-CA 3.36Å
283	G	89.5	Confident	92.6	Very high	46 Å²	46	22.7 Å²	22.7	47%	0.474	14%	0.138	S	C	.	.	S	Bend	trans	67	-132.9	172.8	0	0	0	0	0	113.1	D183 V285	D183-G283 VanDerWaalsContact CG-N 3.34Å; D183-G283 PolarHBondContact OD1-N 3.08Å; D183-G283 VanDerWaalsContact OD1-N 3.13Å; D183-G283 PolarHBondContact OD2-N 2.8Å; G283-V285 PolarHBondContact O-N 2.97Å
284	N	89.6	Confident	92.1	Very high	82 Å²	82	26.6 Å²	26.6	44%	0.439	16%	0.155	S	C	.	.	S	Bend	trans	-74.8	93.3	177	-168.6	-17.7	0	0	0	110.3	A286 E287 S288	N284-A286 PolarHBondContact O-N 2.75Å; N284-E287 HydrophobicContact CB-CB 4.25Å; N284-E287 HydrophobicContact CB-CG 4.5Å; N284-E287 WeakPolarHBondContact ND2-CG 3.3Å; N284-E287 PolarHBondContact ND2-OE1 2.81Å; N284-E287 VanDerWaalsContact ND2-OE1 3.09Å; N284-E287 PolarHBondContact ND2-OE2 3.27Å; N284-E287 PolarHBondContact O-N 3.37Å; N284-S288 WeakPolarHBondContact O-CB 3.3Å; N284-S288 PolarHBondContact O-N 2.96Å; N284-S288 VanDerWaalsContact O-N 3.14Å; N284-S288 PolarHBondContact O-OG 2.9Å
285	V	91.4	Very high	91	Very high	11 Å²	11	29.3 Å²	29.3	7%	0.067	17%	0.169	C	C	.	.	H	α-helix	trans	-57.4	-47.5	-172.4	-173.3	0	0	0	0	112.3	F196 G279 A281 G283 E287 S288 V289 F312	F196-V285 HydrophobicContact CD1-CG2 4.41Å; F196-V285 HydrophobicContact CD2-CG2 3.92Å; F196-V285 HydrophobicContact CE1-CG2 4.27Å; F196-V285 HydrophobicContact CE2-CB 4.2Å; F196-V285 HydrophobicContact CE2-CG1 3.93Å; F196-V285 HydrophobicContact CE2-CG2 3.77Å; F196-V285 HydrophobicContact CG-CG2 4.25Å; F196-V285 HydrophobicContact CZ-CG1 4.01Å; F196-V285 HydrophobicContact CZ-CG2 3.95Å; G279-V285 VanDerWaalsContact C-CG1 3.44Å; G279-V285 WeakPolarHBondContact O-CG1 3.2Å; A281-V285 HydrophobicContact CB-CG1 4.38Å; G283-V285 PolarHBondContact O-N 2.97Å; V285-E287 VanDerWaalsContact C-N 3.3Å; V285-E287 PolarHBondContact O-N 3.43Å; V285-S288 PolarHBondContact O-N 3.04Å; V285-S288 VanDerWaalsContact O-N 3.11Å; V285-V289 PolarHBondContact O-N 2.9Å; V285-F312 HydrophobicContact CB-CB 4.32Å; V285-F312 HydrophobicContact CG1-CB 3.83Å
286	A	90.5	Very high	90.1	Very high	8 Å²	8	33.5 Å²	33.5	7%	0.066	19%	0.191	C	C	.	.	H	α-helix	trans	-64.3	-35	-176.5	0	0	0	0	0	112.4	N284 S288 F312 V313 T314 I367	N284-A286 PolarHBondContact O-N 2.75Å; A286-S288 VanDerWaalsContact C-N 3.34Å; A286-F312 WeakPolarHBondContact CA-O 3.46Å; A286-V313 CarbonylContact O-C 3.58Å; A286-T314 WeakPolarHBondContact O-CB 3.39Å; A286-T314 PolarHBondContact O-N 3.38Å; A286-T314 PolarHBondContact O-OG1 3.19Å; A286-I367 HydrophobicContact CB-CD1 4.1Å; A286-I367 HydrophobicContact CB-CG1 4.17Å
287	E	93.3	Very high	89.6	Confident	110 Å²	110	34.2 Å²	34.2	51%	0.514	20%	0.196	S	C	.	.	H	α-helix	trans	-75.6	-24.2	176.9	-71.5	176.8	-179.3	0	0	112.9	N284 V285 I367	N284-E287 HydrophobicContact CB-CB 4.25Å; N284-E287 HydrophobicContact CB-CG 4.5Å; N284-E287 WeakPolarHBondContact ND2-CG 3.3Å; N284-E287 PolarHBondContact ND2-OE1 2.81Å; N284-E287 VanDerWaalsContact ND2-OE1 3.09Å; N284-E287 PolarHBondContact ND2-OE2 3.27Å; N284-E287 PolarHBondContact O-N 3.37Å; V285-E287 VanDerWaalsContact C-N 3.3Å; V285-E287 PolarHBondContact O-N 3.43Å; E287-I367 HydrophobicContact CG-CD1 3.68Å
288	S	93.4	Very high	89.4	Confident	45 Å²	45	34.2 Å²	34.2	32%	0.315	20%	0.196	S	C	.	.	H	α-helix	trans	-89.1	-16.6	-175.2	-59.5	0	0	0	0	113.7	S261 G262 N284 V285 A286	S261-S288 WeakPolarHBondContact CA-O 3.46Å; G262-S288 PolarHBondContact N-O 3.03Å; N284-S288 WeakPolarHBondContact O-CB 3.3Å; N284-S288 PolarHBondContact O-N 2.96Å; N284-S288 VanDerWaalsContact O-N 3.14Å; N284-S288 PolarHBondContact O-OG 2.9Å; V285-S288 PolarHBondContact O-N 3.04Å; V285-S288 VanDerWaalsContact O-N 3.11Å; A286-S288 VanDerWaalsContact C-N 3.34Å
289	V	94.6	Very high	89.3	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	101.7	178.3	-175.1	0	0	0	0	109.2	I259 Y264 A281 V285 V313 T314	I259-V289 HydrophobicContact CB-CG1 3.84Å; I259-V289 HydrophobicContact CG2-CG1 3.42Å; I259-V289 VanDerWaalsContact CG2-CG1 3.42Å; I259-V289 WeakPolarHBondContact O-CG2 3.13Å; Y264-V289 HydrophobicContact CE2-CG1 4.4Å; A281-V289 HydrophobicContact CB-CG2 4.07Å; V285-V289 PolarHBondContact O-N 2.9Å; V289-V313 HydrophobicContact CB-CG1 4.23Å; V289-V313 HydrophobicContact CG1-CB 4.46Å; V289-V313 HydrophobicContact CG1-CG1 3.77Å; V289-T314 PolarHBondContact O-N 3.4Å
290	I	94.5	Very high	89.3	Confident	24 Å²	24	35.6 Å²	35.6	12%	0.123	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	118	-172.8	-54.2	174.4	0	0	0	109.3	G262 T263 Y264 Q292 T314 R316	G262-I290 PolarHBondContact O-N 2.86Å; T263-I290 CarbonylContact C-O 3.54Å; T263-I290 WeakPolarHBondContact CA-O 3.31Å; T263-I290 HydrophobicContact CG2-CB 4.27Å; T263-I290 HydrophobicContact CG2-CG2 4.2Å; Y264-I290 PolarHBondContact N-O 2.8Å; I290-Q292 HydrophobicContact CG2-CB 4.48Å; I290-T314 CarbonylContact C-O 3.54Å; I290-T314 WeakPolarHBondContact CA-O 3.29Å; I290-T314 HydrophobicContact CG2-CG2 4.35Å; I290-R316 HydrophobicContact CG2-CB 4.49Å
291	I	94.3	Very high	89.5	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	114.5	171.2	-51.9	174.3	0	0	0	107	I242 I259 E267 L269 V298 I299 V313 T314 V315 R316	I242-I291 HydrophobicContact CD1-CD1 4.02Å; I242-I291 HydrophobicContact CD1-CG1 3.89Å; I242-I291 HydrophobicContact CD1-CG2 4.16Å; I259-I291 HydrophobicContact CD1-CD1 3.78Å; I259-I291 HydrophobicContact CD1-CG1 4.46Å; E267-I291 HydrophobicContact CB-CG2 3.95Å; E267-I291 HydrophobicContact CG-CG2 4.28Å; L269-I291 HydrophobicContact CD1-CG2 4.17Å; I291-V298 HydrophobicContact CG2-CG1 3.76Å; I291-I299 HydrophobicContact CD1-CD1 4.02Å; I291-V313 HydrophobicContact CD1-CB 4.37Å; I291-V313 HydrophobicContact CD1-CG1 4.35Å; I291-V313 HydrophobicContact CD1-CG2 4.26Å; I291-T314 PolarHBondContact N-O 3.37Å; I291-V315 WeakPolarHBondContact O-CA 3.26Å; I291-R316 PolarHBondContact O-N 3.44Å
292	Q	91.4	Very high	89.7	Confident	35 Å²	35	36.8 Å²	36.8	16%	0.164	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122	-173.5	-175.6	173.7	-8.1	0	0	111	T263 Y264 A265 N266 E267 I290 R316 S318	T263-Q292 HydrophobicContact CG2-CB 4.47Å; Y264-Q292 PolarHBondContact O-N 2.85Å; A265-Q292 CarbonylContact C-O 3.22Å; A265-Q292 VanDerWaalsContact C-O 3.32Å; A265-Q292 WeakPolarHBondContact CA-O 3.28Å; N266-Q292 PolarHBondContact N-O 2.91Å; E267-Q292 PolarHBondContact N-O 3.07Å; I290-Q292 HydrophobicContact CG2-CB 4.48Å; Q292-R316 VanDerWaalsContact CA-O 3.27Å; Q292-R316 WeakPolarHBondContact CA-O 2.99Å; Q292-R316 HydrophobicContact CB-CB 4.46Å; Q292-R316 HydrophobicContact CG-CB 4.34Å; Q292-R316 HydrophobicContact CG-CG 4.47Å; Q292-S318 PolarHBondContact NE2-OG 2.82Å
293	G	86.2	Confident	90	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	154.5	172.3	0	0	0	0	0	111.9	E267 R316 S318	E267-G293 WeakPolarHBondContact O-CA 3.47Å; G293-R316 PolarHBondContact N-O 2.93Å; G293-R316 VanDerWaalsContact N-O 3.1Å; G293-S318 PolarHBondContact O-N 3.13Å; G293-S318 VanDerWaalsContact O-N 3.12Å
294	K	81.8	Confident	90	Very high	116 Å²	116	36.5 Å²	36.5	50%	0.504	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	138.2	172.3	-64.7	-174.7	-170.9	171.5	0	109.2	N266 N296 S318	N266-K294 WeakPolarHBondContact OD1-CD 3.12Å; N266-K294 WeakPolarHBondContact OD1-CE 3.31Å; N266-K294 WeakPolarHBondContact OD1-CG 3.42Å; K294-N296 PolarHBondContact O-N 3.43Å; K294-S318 WeakPolarHBondContact CA-O 3.06Å
295	N	71.3	Confident	90.2	Very high	90 Å²	90	32.6 Å²	32.6	48%	0.481	19%	0.186	S	C	.	.	S	Bend	trans	63.4	-10.4	170.1	-59.2	-15.8	0	0	0	117.8	F319 H350	N295-F319 HydrophobicContact CB-CD1 4.47Å; N295-F319 HydrophobicContact CB-CE1 4.2Å; N295-F319 WeakPolarHBondContact O-CE1 3.37Å; N295-F319 WeakPolarHBondContact O-CZ 3.48Å; N295-F319 WeakPolarHBondContact OD1-CD1 3.45Å; N295-H350 PolarHBondContact O-CE1 3.09Å; N295-H350 VanDerWaalsContact O-CE1 3.29Å; N295-H350 PolarHBondContact O-ND1 3.29Å; N295-H350 VanDerWaalsContact O-ND1 3.1Å
296	N	75.6	Confident	90.3	Very high	88 Å²	88	35.7 Å²	35.7	47%	0.471	20%	0.202	S	C	.	.	S	Bend	trans	-132.7	170.2	-178	-72.1	-16.5	0	0	0	112.1	K294 V298	K294-N296 PolarHBondContact O-N 3.43Å; N296-V298 PolarHBondContact O-N 2.85Å
297	T	85.1	Confident	90.4	Very high	15 Å²	15	41.1 Å²	41.1	9%	0.092	22%	0.221	C	C	.	.			trans	-61.9	127.9	168.7	-68.3	0	0	0	0	110.8	S268 I299 N300 E349 C351	S268-T297 PolarHBondContact OG-O 2.86Å; T297-I299 WeakPolarHBondContact CG2-O 3.28Å; T297-N300 HydrophobicContact CG2-CB 4.08Å; T297-E349 PolarHBondContact N-O 2.89Å; T297-E349 PolarHBondContact OG1-O 2.91Å; T297-C351 WeakPolarHBondContact CA-O 3.18Å; T297-C351 VanDerWaalsContact CG2-SG 3.53Å; T297-C351 PolarHBondContact OG1-N 3.22Å; T297-C351 VanDerWaalsContact OG1-N 3.1Å; T297-C351 PolarHBondContact OG1-SG 3.45Å; T297-C351 VanDerWaalsContact OG1-SG 3.36Å
298	V	92.3	Very high	90.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-76.2	-47.5	-171.9	-170.7	0	0	0	0	111.1	S268 L269 I291 N296 V315 A317 C351 A352	S268-V298 WeakPolarHBondContact CA-O 3.43Å; L269-V298 PolarHBondContact N-O 3.48Å; I291-V298 HydrophobicContact CG2-CG1 3.76Å; N296-V298 PolarHBondContact O-N 2.85Å; V298-V315 HydrophobicContact CB-CG1 3.8Å; V298-V315 HydrophobicContact CG1-CG1 3.83Å; V298-V315 HydrophobicContact CG2-CG1 4.37Å; V298-A317 HydrophobicContact CG2-CB 3.97Å; V298-C351 PolarHBondContact N-O 2.94Å; V298-A352 WeakPolarHBondContact CB-O 3.5Å
299	I	94.8	Very high	90.6	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	123.8	175	-57.3	-177.7	0	0	0	108.4	L269 I271 I291 T297 F301 L310 V315 A352 V353 G354	L269-I299 HydrophobicContact CD1-CG1 4.24Å; I271-I299 HydrophobicContact CD1-CG2 3.74Å; I291-I299 HydrophobicContact CD1-CD1 4.02Å; T297-I299 WeakPolarHBondContact CG2-O 3.28Å; I299-F301 HydrophobicContact CG2-CD2 4.23Å; I299-F301 HydrophobicContact CG2-CE2 3.8Å; I299-F301 HydrophobicContact CG2-CZ 4.14Å; I299-L310 HydrophobicContact CD1-CD1 4.21Å; I299-L310 HydrophobicContact CD1-CD2 3.59Å; I299-V315 HydrophobicContact CD1-CG1 4.16Å; I299-V315 HydrophobicContact CD1-CG2 3.72Å; I299-V315 HydrophobicContact CG1-CG1 4.2Å; I299-A352 PolarHBondContact N-O 3.33Å; I299-A352 VanDerWaalsContact N-O 3.07Å; I299-V353 CarbonylContact O-C 3.55Å; I299-V353 WeakPolarHBondContact O-CA 3.36Å; I299-G354 PolarHBondContact O-N 3.11Å
300	N	94.7	Very high	90.8	Very high	28 Å²	28	33.7 Å²	33.7	15%	0.15	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	115.7	177	-167.4	10.8	0	0	0	110.5	L269 F270 I271 T297 G354	L269-N300 PolarHBondContact O-N 3.32Å; F270-N300 HydrophobicContact CD1-CB 4.07Å; F270-N300 HydrophobicContact CE1-CB 4.3Å; I271-N300 PolarHBondContact N-O 2.8Å; T297-N300 HydrophobicContact CG2-CB 4.08Å; N300-G354 CarbonylContact C-O 3.6Å; N300-G354 WeakPolarHBondContact CA-O 3.34Å; N300-G354 PolarHBondContact OD1-O 2.77Å
301	F	96.6	Very high	90.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	113.3	171.1	-66.3	-83.8	0	0	0	109.5	I271 I299 A305 A308 L310 V353 G354 I355 S356 P361 V363	I271-F301 HydrophobicContact CB-CD1 3.9Å; I271-F301 HydrophobicContact CB-CE1 4.22Å; I271-F301 HydrophobicContact CD1-CD1 4.03Å; I271-F301 HydrophobicContact CD1-CE1 3.52Å; I271-F301 HydrophobicContact CD1-CZ 3.9Å; I271-F301 HydrophobicContact CG1-CE1 4.47Å; I271-F301 HydrophobicContact CG2-CD1 3.91Å; I271-F301 HydrophobicContact CG2-CE1 4.09Å; I299-F301 HydrophobicContact CG2-CD2 4.23Å; I299-F301 HydrophobicContact CG2-CE2 3.8Å; I299-F301 HydrophobicContact CG2-CZ 4.14Å; F301-A305 HydrophobicContact CB-CB 4.28Å; F301-A305 HydrophobicContact CD1-CB 3.97Å; F301-A308 HydrophobicContact CD1-CB 4Å; F301-A308 HydrophobicContact CE1-CB 3.81Å; F301-L310 HydrophobicContact CZ-CB 3.96Å; F301-L310 HydrophobicContact CZ-CD2 4.45Å; F301-V353 HydrophobicContact CD2-CG1 4.27Å; F301-V353 HydrophobicContact CE2-CG1 4.09Å; F301-G354 PolarHBondContact N-O 3.35Å; F301-I355 HydrophobicContact CB-CG1 4.35Å; F301-I355 HydrophobicContact CD2-CD1 4.42Å; F301-I355 HydrophobicContact CD2-CG1 3.96Å; F301-S356 PolarHBondContact O-N 3.13Å; F301-S356 PolarHBondContact O-OG 3.02Å; F301-P361 HydrophobicContact CB-CB 4.44Å; F301-P361 HydrophobicContact CB-CG 3.92Å; F301-P361 HydrophobicContact CD1-CB 3.52Å; F301-P361 HydrophobicContact CD1-CG 3.91Å; F301-P361 HydrophobicContact CD2-CB 4.24Å; F301-P361 HydrophobicContact CD2-CG 3.91Å; F301-P361 HydrophobicContact CE1-CB 3.65Å; F301-P361 HydrophobicContact CE1-CG 4.36Å; F301-P361 HydrophobicContact CE2-CB 4.35Å; F301-P361 HydrophobicContact CE2-CG 4.35Å; F301-P361 HydrophobicContact CG-CB 3.82Å; F301-P361 HydrophobicContact CG-CG 3.64Å; F301-P361 HydrophobicContact CZ-CB 4.06Å; F301-V363 HydrophobicContact CE2-CG2 4.2Å; F301-V363 HydrophobicContact CZ-CG2 4.47Å
302	C	94.2	Very high	91	Very high	28 Å²	28	33.7 Å²	33.7	19%	0.189	18%	0.181	C	C	.	.			trans	-96.1	168.5	-178.9	-59.4	0	0	0	0	111.4	I271 G304 A305 S356 S359	I271-C302 PolarHBondContact O-N 3.08Å; C302-G304 PolarHBondContact O-N 3.22Å; C302-A305 VanDerWaalsContact O-CB 3.3Å; C302-A305 WeakPolarHBondContact O-CB 2.93Å; C302-A305 PolarHBondContact O-N 3.41Å; C302-A305 VanDerWaalsContact O-N 3.08Å; C302-S356 VanDerWaalsContact CA-OG 3.3Å; C302-S356 WeakPolarHBondContact CA-OG 3.02Å; C302-S359 WeakPolarHBondContact O-CB 3.24Å
303	A	94.2	Very high	91.3	Very high	56 Å²	56	32 Å²	32	46%	0.463	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	130.3	170.5	0	0	0	0	0	110.7
304	G	90.9	Very high	91.8	Very high	29 Å²	29	32.2 Å²	32.2	30%	0.299	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.1	-16.5	-175.6	0	0	0	0	0	115	N274 C302 N306 Y358	N274-G304 PolarHBondContact OD1-O 3.01Å; C302-G304 PolarHBondContact O-N 3.22Å; G304-N306 PolarHBondContact O-N 2.88Å; G304-Y358 PolarHBondContact N-O 2.88Å
305	A	93.9	Very high	92.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.15	C	C	.	.			trans	-80.1	42.5	176.4	0	0	0	0	0	113.9	I271 F301 C302 R307 A308	I271-A305 HydrophobicContact CG2-CB 4.14Å; I271-A305 WeakPolarHBondContact O-CB 2.98Å; F301-A305 HydrophobicContact CB-CB 4.28Å; F301-A305 HydrophobicContact CD1-CB 3.97Å; C302-A305 VanDerWaalsContact O-CB 3.3Å; C302-A305 WeakPolarHBondContact O-CB 2.93Å; C302-A305 PolarHBondContact O-N 3.41Å; C302-A305 VanDerWaalsContact O-N 3.08Å; A305-R307 VanDerWaalsContact C-N 3.33Å; A305-R307 PolarHBondContact O-N 3.46Å; A305-A308 HydrophobicContact CB-CB 3.83Å; A305-A308 PolarHBondContact O-N 3.28Å
306	N	93	Very high	93.5	Very high	76 Å²	76	26.7 Å²	26.7	41%	0.406	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-20.8	-170.1	-64.4	-30.3	0	0	0	114.5	N274 G304 Y358 S359 S360	N274-N306 PolarHBondContact OD1-N 2.8Å; G304-N306 PolarHBondContact O-N 2.88Å; N306-Y358 PolarHBondContact OD1-O 3.45Å; N306-S359 WeakPolarHBondContact OD1-CA 3.34Å; N306-S360 VanDerWaalsContact CA-OG 3.26Å; N306-S360 WeakPolarHBondContact CA-OG 3.37Å; N306-S360 PolarHBondContact O-OG 2.79Å
307	R	92.2	Very high	94.2	Very high	121 Å²	121	22.5 Å²	22.5	46%	0.457	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.5	21	176.3	-54.2	177.3	-66.9	-176.1	2.3	110.7	N274 A305	N274-R307 HydrophobicContact CB-CB 4.26Å; N274-R307 PolarHBondContact ND2-NE 3Å; N274-R307 PolarHBondContact ND2-NH2 3.37Å; N274-R307 WeakPolarHBondContact OD1-CA 3.41Å; N274-R307 WeakPolarHBondContact OD1-CB 3.11Å; N274-R307 PolarHBondContact OD1-N 2.72Å; A305-R307 VanDerWaalsContact C-N 3.33Å; A305-R307 PolarHBondContact O-N 3.46Å
308	A	95.3	Very high	94.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.126	C	C	.	.			trans	-68.4	145.2	172.4	0	0	0	0	0	109.4	I271 V275 F301 A305 P361 S362	I271-A308 HydrophobicContact CG2-CB 3.98Å; V275-A308 CarbonylContact O-C 3.56Å; V275-A308 VanDerWaalsContact O-CA 3.24Å; V275-A308 WeakPolarHBondContact O-CA 3.31Å; F301-A308 HydrophobicContact CD1-CB 4Å; F301-A308 HydrophobicContact CE1-CB 3.81Å; A305-A308 HydrophobicContact CB-CB 3.83Å; A305-A308 PolarHBondContact O-N 3.28Å; A308-P361 HydrophobicContact CB-CB 4.31Å; A308-P361 CarbonylContact O-C 3.58Å; A308-P361 WeakPolarHBondContact O-CA 3.31Å; A308-S362 PolarHBondContact O-N 3.07Å
309	Y	96.8	Very high	93	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.9	179.2	173.6	-88.7	0	0	0	109.6	C192 F194 V275 Q276 I277 I278 S362 E364	C192-Y309 HydrophobicContact CB-CD2 3.74Å; C192-Y309 HydrophobicContact CB-CG 4.25Å; C192-Y309 VanDerWaalsContact O-CE2 3.28Å; C192-Y309 WeakPolarHBondContact O-CE2 3.41Å; F194-Y309 HydrophobicContact CD2-CD1 4.11Å; F194-Y309 AromaticContact CD2-CE1 3.57Å; F194-Y309 HydrophobicContact CD2-CE1 3.57Å; F194-Y309 HydrophobicContact CD2-CE2 4.08Å; F194-Y309 AromaticContact CD2-CZ 3.55Å; F194-Y309 HydrophobicContact CE2-CD1 4.02Å; F194-Y309 AromaticContact CE2-CE1 3.94Å; F194-Y309 HydrophobicContact CE2-CE1 3.94Å; F194-Y309 HydrophobicContact CE2-CG 4.42Å; F194-Y309 HydrophobicContact CG-CE1 4.46Å; V275-Y309 PolarHBondContact O-N 3.19Å; Q276-Y309 HydrophobicContact CB-CD1 4.43Å; I277-Y309 PolarHBondContact N-O 3.18Å; I278-Y309 HydrophobicContact CD1-CD1 4.49Å; I278-Y309 HydrophobicContact CD1-CE1 4.12Å; I278-Y309 HydrophobicContact CG1-CD1 4.15Å; I278-Y309 HydrophobicContact CG1-CE1 3.89Å; Y309-S362 CarbonylContact C-O 3.57Å; Y309-S362 VanDerWaalsContact CA-O 3.29Å; Y309-S362 WeakPolarHBondContact CA-O 3.41Å; Y309-E364 HydrophobicContact CE2-CB 4.07Å; Y309-E364 HydrophobicContact CE2-CG 3.94Å
310	L	97.1	Very high	91.2	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	126.7	168	-179.9	69.4	0	0	0	108.1	I277 I299 F301 V313 V315 S362 V363 E364	I277-L310 HydrophobicContact CB-CD1 3.94Å; I277-L310 HydrophobicContact CG2-CD1 3.91Å; I277-L310 CarbonylContact O-C 3.59Å; I277-L310 WeakPolarHBondContact O-CA 3.41Å; I299-L310 HydrophobicContact CD1-CD1 4.21Å; I299-L310 HydrophobicContact CD1-CD2 3.59Å; F301-L310 HydrophobicContact CZ-CB 3.96Å; F301-L310 HydrophobicContact CZ-CD2 4.45Å; L310-V313 HydrophobicContact CD1-CG2 3.75Å; L310-V313 HydrophobicContact CD2-CG2 4.22Å; L310-V313 HydrophobicContact CG-CG2 3.94Å; L310-V315 HydrophobicContact CD2-CG2 4.24Å; L310-S362 PolarHBondContact N-O 2.92Å; L310-V363 HydrophobicContact CD2-CG1 4.41Å; L310-V363 CarbonylContact O-C 3.09Å; L310-V363 VanDerWaalsContact O-CA 3.31Å; L310-V363 WeakPolarHBondContact O-CA 3.43Å; L310-E364 PolarHBondContact O-N 3.36Å
311	G	96.9	Very high	89.2	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	157	175.5	0	0	0	0	0	115.7	I277 I278 G279 V313 E364	I277-G311 PolarHBondContact O-N 3.36Å; I278-G311 WeakPolarHBondContact CA-O 3.32Å; G279-G311 PolarHBondContact N-O 3.1Å; G311-V313 PolarHBondContact O-N 3.07Å; G311-E364 WeakPolarHBondContact CA-O 3.32Å
312	F	96.6	Very high	86.7	Confident	23 Å²	23	38.3 Å²	38.3	10%	0.101	22%	0.221	C	C	.	.	S	Bend	trans	58.6	38.7	173.8	-55.3	-87.3	0	0	0	114.5	F194 F196 I278 G279 V285 A286 E364 N365	F194-F312 HydrophobicContact CB-CE2 3.96Å; F196-F312 AromaticContact CD2-CD1 3.88Å; F196-F312 HydrophobicContact CD2-CD1 3.88Å; F196-F312 AromaticContact CD2-CE1 3.82Å; F196-F312 HydrophobicContact CD2-CE1 3.82Å; F196-F312 HydrophobicContact CD2-CG 4.32Å; F196-F312 HydrophobicContact CD2-CZ 4.21Å; F196-F312 HydrophobicContact CE2-CB 4.3Å; F196-F312 AromaticContact CE2-CD1 3.86Å; F196-F312 HydrophobicContact CE2-CD1 3.86Å; F196-F312 HydrophobicContact CE2-CD2 4.17Å; F196-F312 HydrophobicContact CE2-CE1 4.19Å; F196-F312 HydrophobicContact CE2-CE2 4.48Å; F196-F312 AromaticContact CE2-CG 3.85Å; F196-F312 HydrophobicContact CE2-CG 3.85Å; F196-F312 HydrophobicContact CE2-CZ 4.49Å; I278-F312 HydrophobicContact CG2-CD2 4.04Å; G279-F312 VanDerWaalsContact CA-O 3.31Å; G279-F312 WeakPolarHBondContact CA-O 3.38Å; V285-F312 HydrophobicContact CB-CB 4.32Å; V285-F312 HydrophobicContact CG1-CB 3.83Å; A286-F312 WeakPolarHBondContact CA-O 3.46Å; F312-E364 PolarHBondContact N-O 3.29Å; F312-N365 WeakPolarHBondContact CA-O 3.26Å; F312-N365 HydrophobicContact CD1-CB 3.91Å; F312-N365 HydrophobicContact CE1-CB 3.82Å; F312-N365 WeakPolarHBondContact CE1-ND2 3.39Å; F312-N365 HydrophobicContact CG-CB 4.39Å; F312-N365 HydrophobicContact CZ-CB 4.23Å; F312-N365 WeakPolarHBondContact CZ-ND2 3.48Å; F312-N365 PolarHBondContact N-O 3.1Å
313	V	96.8	Very high	84.3	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.246	C	C	.	.			trans	-129.6	158.3	176	-61.8	0	0	0	0	111.7	A286 V289 I291 L310 G311 V315 C366 I367	A286-V313 CarbonylContact O-C 3.58Å; V289-V313 HydrophobicContact CB-CG1 4.23Å; V289-V313 HydrophobicContact CG1-CB 4.46Å; V289-V313 HydrophobicContact CG1-CG1 3.77Å; I291-V313 HydrophobicContact CD1-CB 4.37Å; I291-V313 HydrophobicContact CD1-CG1 4.35Å; I291-V313 HydrophobicContact CD1-CG2 4.26Å; L310-V313 HydrophobicContact CD1-CG2 3.75Å; L310-V313 HydrophobicContact CD2-CG2 4.22Å; L310-V313 HydrophobicContact CG-CG2 3.94Å; G311-V313 PolarHBondContact O-N 3.07Å; V313-V315 HydrophobicContact CG2-CG2 4.07Å; V313-C366 CarbonylContact O-C 3.56Å; V313-C366 WeakPolarHBondContact O-CA 3.44Å; V313-C366 WeakPolarHBondContact O-CB 3.31Å; V313-I367 PolarHBondContact O-N 3.26Å
314	T	97	Very high	81.8	Confident	6 Å²	6	49.7 Å²	49.7	4%	0.037	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	126	161.8	-66.5	0	0	0	0	109.4	A286 V289 I290 I291 I367	A286-T314 WeakPolarHBondContact O-CB 3.39Å; A286-T314 PolarHBondContact O-N 3.38Å; A286-T314 PolarHBondContact O-OG1 3.19Å; V289-T314 PolarHBondContact O-N 3.4Å; I290-T314 CarbonylContact C-O 3.54Å; I290-T314 WeakPolarHBondContact CA-O 3.29Å; I290-T314 HydrophobicContact CG2-CG2 4.35Å; I291-T314 PolarHBondContact N-O 3.37Å; T314-I367 CarbonylContact C-O 3.56Å; T314-I367 WeakPolarHBondContact CA-O 3.42Å; T314-I367 HydrophobicContact CG2-CB 4.34Å; T314-I367 HydrophobicContact CG2-CG2 4.42Å
315	V	95.7	Very high	79.4	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	119.8	170.7	-168.8	0	0	0	0	108.4	I291 V298 I299 L310 V313 A352 V353 I367 K369	I291-V315 WeakPolarHBondContact O-CA 3.26Å; V298-V315 HydrophobicContact CB-CG1 3.8Å; V298-V315 HydrophobicContact CG1-CG1 3.83Å; V298-V315 HydrophobicContact CG2-CG1 4.37Å; I299-V315 HydrophobicContact CD1-CG1 4.16Å; I299-V315 HydrophobicContact CD1-CG2 3.72Å; I299-V315 HydrophobicContact CG1-CG1 4.2Å; L310-V315 HydrophobicContact CD2-CG2 4.24Å; V313-V315 HydrophobicContact CG2-CG2 4.07Å; V315-A352 HydrophobicContact CG1-CB 4.07Å; V315-A352 WeakPolarHBondContact CG1-O 3.09Å; V315-V353 HydrophobicContact CB-CG2 4.15Å; V315-V353 HydrophobicContact CG1-CG2 4.04Å; V315-V353 HydrophobicContact CG2-CG2 4.12Å; V315-I367 PolarHBondContact N-O 3.38Å; V315-K369 PolarHBondContact O-N 2.78Å
316	R	93.6	Very high	77.1	Confident	89 Å²	89	53.7 Å²	53.7	34%	0.336	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	116.6	-176.2	-173.6	-176.8	-65.6	178.1	0.6	111	I290 I291 Q292 G293 K369	I290-R316 HydrophobicContact CG2-CB 4.49Å; I291-R316 PolarHBondContact O-N 3.44Å; Q292-R316 VanDerWaalsContact CA-O 3.27Å; Q292-R316 WeakPolarHBondContact CA-O 2.99Å; Q292-R316 HydrophobicContact CB-CB 4.46Å; Q292-R316 HydrophobicContact CG-CB 4.34Å; Q292-R316 HydrophobicContact CG-CG 4.47Å; G293-R316 PolarHBondContact N-O 2.93Å; G293-R316 VanDerWaalsContact N-O 3.1Å; R316-K369 WeakPolarHBondContact CA-O 3.41Å
317	A	90.2	Very high	74.4	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	128.9	165.1	0	0	0	0	0	109.6	V298 A352 K369 S371	V298-A317 HydrophobicContact CG2-CB 3.97Å; A317-A352 HydrophobicContact CB-CB 4.03Å; A317-K369 PolarHBondContact N-O 2.88Å; A317-S371 PolarHBondContact O-N 3.43Å
318	S	83.6	Confident	71.7	Confident	28 Å²	28	57.2 Å²	57.2	20%	0.196	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	129.1	176.3	-57.4	0	0	0	0	112.1	Q292 G293 K294 S371	Q292-S318 PolarHBondContact NE2-OG 2.82Å; G293-S318 PolarHBondContact O-N 3.13Å; G293-S318 VanDerWaalsContact O-N 3.12Å; K294-S318 WeakPolarHBondContact CA-O 3.06Å; S318-S371 WeakPolarHBondContact CA-OG 3.21Å
319	F	68.8	Low	68.9	Low	46 Å²	46	65 Å²	65	20%	0.202	35%	0.353	C	S	.	.			trans	-121.3	137.4	178.6	-77.5	-123.7	0	0	0	109.5	N295 T321 H350 S371 N372	N295-F319 HydrophobicContact CB-CD1 4.47Å; N295-F319 HydrophobicContact CB-CE1 4.2Å; N295-F319 WeakPolarHBondContact O-CE1 3.37Å; N295-F319 WeakPolarHBondContact O-CZ 3.48Å; N295-F319 WeakPolarHBondContact OD1-CD1 3.45Å; F319-T321 PolarHBondContact O-N 2.78Å; F319-T321 VanDerWaalsContact O-N 3.12Å; F319-H350 HydrophobicContact CE1-CB 4.44Å; F319-H350 HydrophobicContact CZ-CB 3.76Å; F319-H350 AromaticContact CZ-CG 3.77Å; F319-H350 AromaticContact CZ-ND1 3.76Å; F319-S371 PolarHBondContact N-OG 2.79Å; F319-N372 VanDerWaalsContact CD2-CG 3.46Å; F319-N372 WeakPolarHBondContact CD2-OD1 3.26Å; F319-N372 WeakPolarHBondContact CE2-ND2 3.37Å; F319-N372 WeakPolarHBondContact CE2-OD1 3.47Å
320	A	57.7	Low	66.1	Low	99 Å²	99	68.6 Å²	68.6	82%	0.818	38%	0.379	S	S	*	.			trans	-74	99.5	169.4	0	0	0	0	0	108.1	N322	A320-N322 PolarHBondContact O-N 2.97Å
321	T	51.8	Low	63.3	Low	61 Å²	61	74.2 Å²	74.2	37%	0.374	41%	0.407	S	S	.	.			trans	-75.8	111.4	176.5	44.1	0	0	0	0	109.9	F319 H323 V373	F319-T321 PolarHBondContact O-N 2.78Å; F319-T321 VanDerWaalsContact O-N 3.12Å; T321-H323 PolarHBondContact O-N 2.86Å; T321-V373 HydrophobicContact CG2-CG2 3.89Å
322	N	43.9	Very low	60.3	Low	143 Å²	143	76.7 Å²	76.7	77%	0.765	42%	0.424	S	S	*	.			trans	-67.7	101.5	156.5	-82.7	-16.4	0	0	0	107	A320 L324 A325	A320-N322 PolarHBondContact O-N 2.97Å; N322-L324 PolarHBondContact O-N 2.82Å; N322-A325 PolarHBondContact O-N 2.78Å
323	H	44.3	Very low	57.4	Low	152 Å²	152	82.1 Å²	82.1	70%	0.704	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-10.6	-173.5	-95.6	-86.1	0	0	0	116.5	T321	T321-H323 PolarHBondContact O-N 2.86Å
324	L	42.6	Very low	54.5	Low	170 Å²	170	87.9 Å²	87.9	89%	0.89	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-23.8	-176.7	-77.1	157.6	0	0	0	114.8	N322	N322-L324 PolarHBondContact O-N 2.82Å
325	A	40.4	Very low	51.4	Low	69 Å²	69	94.3 Å²	94.3	57%	0.57	53%	0.526	S	S	*	.	S	Bend	trans	-87	-19.3	-177.3	0	0	0	0	0	114	N322	N322-A325 PolarHBondContact O-N 2.78Å
326	V	45.1	Very low	48.2	Very low	44 Å²	44	101.1 Å²	101.1	27%	0.267	56%	0.558	S	S	.	*	H	α-helix	trans	-79.4	-25.7	-166.3	-175	0	0	0	0	113	S330 V373	V326-S330 PolarHBondContact O-OG 3.32Å; V326-V373 HydrophobicContact CG1-CB 4.47Å; V326-V373 HydrophobicContact CG1-CG1 3.85Å; V326-V373 HydrophobicContact CG1-CG2 4.38Å
327	F	36.2	Very low	45.3	Very low	175 Å²	175	102.9 Å²	102.9	77%	0.768	57%	0.573	S	S	*	*	H	α-helix	trans	-75.7	-24.5	-179.7	-97.9	-86.3	0	0	0	114.2
328	S	36	Very low	42.3	Very low	97 Å²	97	113.7 Å²	113.7	68%	0.678	61%	0.614	S	S	*	*	H	α-helix	trans	-88.2	-31.8	-178.6	-163.8	0	0	0	0	112.7
329	F	36.3	Very low	39.8	Very low	163 Å²	163	118.7 Å²	118.7	72%	0.715	65%	0.646	S	S	*	*	H	α-helix	trans	-82.3	-28.2	-177.2	-110.4	-98	0	0	0	114.4	I331	F329-I331 VanDerWaalsContact C-N 3.27Å; F329-I331 PolarHBondContact O-N 2.81Å
330	S	37.4	Very low	37.8	Very low	76 Å²	76	123.8 Å²	123.8	53%	0.531	68%	0.675	S	S	.	*	H	α-helix	trans	-76.7	-8.3	-172.3	-51.6	0	0	0	0	114.6	V326	V326-S330 PolarHBondContact O-OG 3.32Å
331	I	38.2	Very low	36.4	Very low	118 Å²	118	129.7 Å²	129.7	61%	0.605	68%	0.676	S	S	*	*	H	α-helix	trans	-107	-24.6	179	-67.4	173.1	0	0	0	111.8	F329	F329-I331 VanDerWaalsContact C-N 3.27Å; F329-I331 PolarHBondContact O-N 2.81Å
332	S	34.3	Very low	35.2	Very low	51 Å²	51	134.1 Å²	134.1	36%	0.357	70%	0.698	S	S	.	*	H	α-helix	trans	-79.2	-28.3	-175.8	-149.9	0	0	0	0	113.7	Q336	S332-Q336 PolarHBondContact O-OE1 2.8Å; S332-Q336 PolarHBondContact OG-OE1 2.82Å
333	L	35.8	Very low	34.3	Very low	137 Å²	137	134.8 Å²	134.8	72%	0.717	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-18.8	-173.9	-155.4	68.4	0	0	0	114.2
334	C	36	Very low	33.4	Very low	121 Å²	121	135.7 Å²	135.7	82%	0.818	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-4.3	174.9	-81.8	0	0	0	0	114.1
335	L	32.4	Very low	32.7	Very low	141 Å²	141	133.8 Å²	133.8	74%	0.738	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.6	-1.8	-172.1	-81.7	162.2	0	0	0	115.4
336	Q	28.7	Very low	32.2	Very low	143 Å²	143	132.9 Å²	132.9	67%	0.668	70%	0.698	S	S	*	*			trans	-118	64.7	-176.8	-75.8	166.8	-23.1	0	0	112.6	S332 R338	S332-Q336 PolarHBondContact O-OE1 2.8Å; S332-Q336 PolarHBondContact OG-OE1 2.82Å; Q336-R338 VanDerWaalsContact C-N 3.35Å
337	L	30.9	Very low	32	Very low	126 Å²	126	136.3 Å²	136.3	66%	0.66	71%	0.711	S	S	*	*			trans	-95.7	67.6	156.9	-75.5	157.9	0	0	0	108.6	Q475	L337-Q475 VanDerWaalsContact CD1-NE2 3.28Å
338	R	28.8	Very low	32.4	Very low	227 Å²	227	134.3 Å²	134.3	86%	0.857	70%	0.704	S	S	*	*			trans	-102.7	124.6	154	-76.1	-172.3	-175.5	171.3	2.4	106.5	Q336 D340	Q336-R338 VanDerWaalsContact C-N 3.35Å; R338-D340 VanDerWaalsContact C-N 3.26Å; R338-D340 PolarHBondContact O-N 2.93Å
339	P	29.4	Very low	33.4	Very low	134 Å²	134	134.4 Å²	134.4	87%	0.87	69%	0.694	S	S	*	*			trans	-79.9	82.3	-179.6	33.3	-29.9	0	0	0	107.5
340	D	27.6	Very low	35	Very low	152 Å²	152	130 Å²	130	81%	0.813	68%	0.675	S	S	*	*			trans	-96	119.2	163.1	-136	-18.9	0	0	0	109.2	R338 N342	R338-D340 VanDerWaalsContact C-N 3.26Å; R338-D340 PolarHBondContact O-N 2.93Å; D340-N342 PolarHBondContact O-N 3.45Å
341	R	27.5	Very low	37.4	Very low	223 Å²	223	126.8 Å²	126.8	84%	0.842	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	115.6	179.7	-70.5	174.5	167.9	-173	-4.1	107.2
342	N	27	Very low	40	Very low	154 Å²	154	121.1 Å²	121.1	82%	0.824	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	146.6	12.6	147.1	-72	-14.7	0	0	0	117.5	D340	D340-N342 PolarHBondContact O-N 3.45Å
343	N	25.2	Very low	42.9	Very low	158 Å²	158	118.7 Å²	118.7	85%	0.845	61%	0.607	S	S	*	*			trans	-130.9	84.2	169	-89.5	-23.5	0	0	0	112.9	V345	N343-V345 VanDerWaalsContact C-N 3.29Å; N343-V345 PolarHBondContact O-N 2.81Å
344	L	26.3	Very low	45.7	Very low	171 Å²	171	112.4 Å²	112.4	90%	0.895	58%	0.575	S	S	*	*			trans	-69.1	83.7	161.6	-82.6	147.5	0	0	0	108.9	A346	L344-A346 VanDerWaalsContact C-N 3.26Å; L344-A346 PolarHBondContact O-N 2.95Å
345	V	27.6	Very low	48.6	Very low	130 Å²	130	106.7 Å²	106.7	79%	0.788	54%	0.537	S	S	*	.			trans	-74.3	94.8	156.4	-177.1	0	0	0	0	105.6	N343 H347	N343-V345 VanDerWaalsContact C-N 3.29Å; N343-V345 PolarHBondContact O-N 2.81Å; V345-H347 PolarHBondContact O-N 2.81Å
346	A	29.3	Very low	51.6	Low	50 Å²	50	101.2 Å²	101.2	41%	0.413	51%	0.51	S	S	.	.			trans	-52.8	136.8	174	0	0	0	0	0	109.1	L344 Q348	L344-A346 VanDerWaalsContact C-N 3.26Å; L344-A346 PolarHBondContact O-N 2.95Å; A346-Q348 HydrophobicContact CB-CB 4.41Å; A346-Q348 HydrophobicContact CB-CG 3.84Å; A346-Q348 PolarHBondContact O-N 2.92Å
347	H	40.5	Very low	54.8	Low	116 Å²	116	95.8 Å²	95.8	54%	0.537	49%	0.489	S	S	.	.			trans	-68	32.7	169.5	-78.9	-70.9	0	0	0	112.7	V345 K428	V345-H347 PolarHBondContact O-N 2.81Å; H347-K428 PolarHBondContact CD2-NZ 3.49Å; H347-K428 PolarHBondContact NE2-NZ 3.5Å
348	Q	46	Very low	57.9	Low	133 Å²	133	95.6 Å²	95.6	62%	0.621	48%	0.481	S	S	*	.			trans	-64.5	137.5	168.2	-72.5	179.8	-59.4	0	0	108.5	A346	A346-Q348 HydrophobicContact CB-CB 4.41Å; A346-Q348 HydrophobicContact CB-CG 3.84Å; A346-Q348 PolarHBondContact O-N 2.92Å
349	E	56.1	Low	61.1	Low	99 Å²	99	84.8 Å²	84.8	46%	0.463	44%	0.44	S	S	.	.	S	Bend	cis	-165.8	48.6	2.9	-117.7	171.3	-136.6	0	0	108.9	T297	T297-E349 PolarHBondContact N-O 2.89Å; T297-E349 PolarHBondContact OG1-O 2.91Å
350	H	71.1	Confident	64.3	Low	69 Å²	69	80.4 Å²	80.4	32%	0.319	41%	0.412	S	S	.	.			trans	-124.1	79.4	-169.8	-54.8	-51.2	0	0	0	113	N295 F319 N372	N295-H350 PolarHBondContact O-CE1 3.09Å; N295-H350 VanDerWaalsContact O-CE1 3.29Å; N295-H350 PolarHBondContact O-ND1 3.29Å; N295-H350 VanDerWaalsContact O-ND1 3.1Å; F319-H350 HydrophobicContact CE1-CB 4.44Å; F319-H350 HydrophobicContact CZ-CB 3.76Å; F319-H350 AromaticContact CZ-CG 3.77Å; F319-H350 AromaticContact CZ-ND1 3.76Å; H350-N372 PolarHBondContact O-ND2 3.4Å
351	C	86.7	Confident	67.6	Low	9 Å²	9	73.1 Å²	73.1	6%	0.061	37%	0.374	C	S	.	.			trans	-125.8	161.4	175	60	0	0	0	0	112.5	T297 V298 G354 S376 C379	T297-C351 WeakPolarHBondContact CA-O 3.18Å; T297-C351 VanDerWaalsContact CG2-SG 3.53Å; T297-C351 PolarHBondContact OG1-N 3.22Å; T297-C351 VanDerWaalsContact OG1-N 3.1Å; T297-C351 PolarHBondContact OG1-SG 3.45Å; T297-C351 VanDerWaalsContact OG1-SG 3.36Å; V298-C351 PolarHBondContact N-O 2.94Å; C351-G354 WeakPolarHBondContact SG-CA 3.42Å; C351-G354 PolarHBondContact SG-N 2.95Å; C351-G354 VanDerWaalsContact SG-N 3.36Å; C351-S376 WeakPolarHBondContact CA-O 3.5Å; C351-S376 WeakPolarHBondContact CB-O 3.45Å; C351-C379 HydrophobicContact CB-CB 4.09Å
352	A	92.3	Very high	70.9	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.339	C	S	.	.	S	Bend	trans	-70	-44.5	171.8	0	0	0	0	0	110.2	V298 I299 V315 A317 I368 A377	V298-A352 WeakPolarHBondContact CB-O 3.5Å; I299-A352 PolarHBondContact N-O 3.33Å; I299-A352 VanDerWaalsContact N-O 3.07Å; V315-A352 HydrophobicContact CG1-CB 4.07Å; V315-A352 WeakPolarHBondContact CG1-O 3.09Å; A317-A352 HydrophobicContact CB-CB 4.03Å; A352-I368 HydrophobicContact CB-CG2 3.8Å; A352-A377 WeakPolarHBondContact CA-O 3.44Å; A352-A377 VanDerWaalsContact CB-O 3.24Å; A352-A377 WeakPolarHBondContact CB-O 3.42Å; A352-A377 PolarHBondContact N-O 3.21Å
353	V	95.3	Very high	74.3	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	115.8	176.5	-178.1	0	0	0	0	110.6	I299 F301 V315 I355 I368 A377 M378 C379	I299-V353 CarbonylContact O-C 3.55Å; I299-V353 WeakPolarHBondContact O-CA 3.36Å; F301-V353 HydrophobicContact CD2-CG1 4.27Å; F301-V353 HydrophobicContact CE2-CG1 4.09Å; V315-V353 HydrophobicContact CB-CG2 4.15Å; V315-V353 HydrophobicContact CG1-CG2 4.04Å; V315-V353 HydrophobicContact CG2-CG2 4.12Å; V353-I355 HydrophobicContact CG1-CG1 4.37Å; V353-I368 HydrophobicContact CG2-CD1 3.98Å; V353-I368 HydrophobicContact CG2-CG1 4.28Å; V353-I368 HydrophobicContact CG2-CG2 4.32Å; V353-A377 PolarHBondContact N-O 2.94Å; V353-M378 HydrophobicContact CB-CG 4.25Å; V353-M378 HydrophobicContact CG1-CE 4.29Å; V353-M378 HydrophobicContact CG1-CG 4.48Å; V353-M378 CarbonylContact O-C 3.59Å; V353-M378 VanDerWaalsContact O-CA 3.29Å; V353-M378 WeakPolarHBondContact O-CA 3.44Å; V353-C379 PolarHBondContact O-N 3.19Å
354	G	95	Very high	77.7	Confident	5 Å²	5	49.4 Å²	49.4	5%	0.052	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	138.2	173.7	0	0	0	0	0	111.5	I299 N300 F301 C351 C379	I299-G354 PolarHBondContact O-N 3.11Å; N300-G354 CarbonylContact C-O 3.6Å; N300-G354 WeakPolarHBondContact CA-O 3.34Å; N300-G354 PolarHBondContact OD1-O 2.77Å; F301-G354 PolarHBondContact N-O 3.35Å; C351-G354 WeakPolarHBondContact SG-CA 3.42Å; C351-G354 PolarHBondContact SG-N 2.95Å; C351-G354 VanDerWaalsContact SG-N 3.36Å; G354-C379 CarbonylContact C-O 3.57Å; G354-C379 WeakPolarHBondContact CA-O 3.47Å
355	I	97	Very high	81.1	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	115.5	175.8	-56.4	-174.1	0	0	0	107.1	F301 V353 S359 P361 M378 C379 V380 Q381 P387	F301-I355 HydrophobicContact CB-CG1 4.35Å; F301-I355 HydrophobicContact CD2-CD1 4.42Å; F301-I355 HydrophobicContact CD2-CG1 3.96Å; V353-I355 HydrophobicContact CG1-CG1 4.37Å; I355-S359 WeakPolarHBondContact CG2-OG 3.43Å; I355-P361 HydrophobicContact CD1-CG 3.77Å; I355-P361 HydrophobicContact CG1-CG 4.25Å; I355-P361 HydrophobicContact CG2-CG 4.11Å; I355-M378 HydrophobicContact CD1-CE 3.33Å; I355-M378 HydrophobicContact CG1-CE 4.26Å; I355-C379 PolarHBondContact N-O 3.23Å; I355-V380 HydrophobicContact CB-CB 4.42Å; I355-V380 HydrophobicContact CB-CG1 4.14Å; I355-V380 HydrophobicContact CB-CG2 4.21Å; I355-V380 HydrophobicContact CD1-CG2 4.21Å; I355-V380 HydrophobicContact CG1-CG2 4.47Å; I355-V380 HydrophobicContact CG2-CG1 4.12Å; I355-V380 WeakPolarHBondContact O-CA 3.35Å; I355-Q381 PolarHBondContact O-N 2.98Å; I355-P387 HydrophobicContact CD1-CB 3.5Å; I355-P387 VanDerWaalsContact CD1-CB 3.5Å; I355-P387 HydrophobicContact CD1-CG 3.8Å; I355-P387 HydrophobicContact CG2-CB 4.44Å; I355-P387 HydrophobicContact CG2-CG 4.45Å
356	S	95	Very high	84.4	Confident	26 Å²	26	38 Å²	38	18%	0.182	20%	0.199	C	C	.	.			trans	-101.2	174.7	-173.9	64.2	0	0	0	0	112.5	F301 C302 S359 Q381 A385	F301-S356 PolarHBondContact O-N 3.13Å; F301-S356 PolarHBondContact O-OG 3.02Å; C302-S356 VanDerWaalsContact CA-OG 3.3Å; C302-S356 WeakPolarHBondContact CA-OG 3.02Å; S356-S359 WeakPolarHBondContact O-CB 3.4Å; S356-S359 PolarHBondContact O-N 2.73Å; S356-S359 PolarHBondContact O-OG 3.28Å; S356-Q381 CarbonylContact C-O 3.59Å; S356-Q381 WeakPolarHBondContact CA-O 3.49Å; S356-A385 WeakPolarHBondContact O-CB 3.13Å
357	A	95.4	Very high	87.7	Confident	28 Å²	28	36.4 Å²	36.4	23%	0.231	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	146.8	179.8	0	0	0	0	0	112.5	S359 Q381 K383	A357-S359 VanDerWaalsContact C-N 3.27Å; A357-S359 PolarHBondContact O-N 3.06Å; A357-Q381 PolarHBondContact N-O 2.84Å; A357-K383 VanDerWaalsContact CA-O 3.26Å; A357-K383 WeakPolarHBondContact CA-O 3.18Å; A357-K383 WeakPolarHBondContact CB-O 3.49Å
358	Y	96.2	Very high	90.4	Very high	123 Å²	123	30.9 Å²	30.9	48%	0.482	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	35.5	178.9	-44	-72.7	0	0	0	114.1	G304 N306 K383 D384	G304-Y358 PolarHBondContact N-O 2.88Å; N306-Y358 PolarHBondContact OD1-O 3.45Å; Y358-K383 PolarHBondContact N-O 2.86Å; Y358-D384 HydrophobicContact CD1-CB 3.9Å; Y358-D384 HydrophobicContact CE1-CB 4.35Å; Y358-D384 WeakPolarHBondContact CE1-OD2 3.35Å
359	S	95.8	Very high	92.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.141	C	C	.	.			trans	-132	140.9	174.4	76.5	0	0	0	0	111.5	C302 N306 I355 S356 A357 A385 N386	C302-S359 WeakPolarHBondContact O-CB 3.24Å; N306-S359 WeakPolarHBondContact OD1-CA 3.34Å; I355-S359 WeakPolarHBondContact CG2-OG 3.43Å; S356-S359 WeakPolarHBondContact O-CB 3.4Å; S356-S359 PolarHBondContact O-N 2.73Å; S356-S359 PolarHBondContact O-OG 3.28Å; A357-S359 VanDerWaalsContact C-N 3.27Å; A357-S359 PolarHBondContact O-N 3.06Å; S359-A385 CarbonylContact O-C 3.57Å; S359-A385 WeakPolarHBondContact O-CA 3.18Å; S359-N386 PolarHBondContact O-N 2.86Å
360	S	96.9	Very high	94.4	Very high	41 Å²	41	22.8 Å²	22.8	29%	0.287	12%	0.12	S	C	.	.			trans	-137.1	54.9	-178.6	62.6	0	0	0	0	112.8	N306 N386	N306-S360 VanDerWaalsContact CA-OG 3.26Å; N306-S360 WeakPolarHBondContact CA-OG 3.37Å; N306-S360 PolarHBondContact O-OG 2.79Å; S360-N386 VanDerWaalsContact CA-O 3.31Å; S360-N386 WeakPolarHBondContact CA-O 3.38Å; S360-N386 WeakPolarHBondContact CB-O 3.29Å
361	P	97.1	Very high	95.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.117	C	C	.	.			trans	-69.6	158.8	-176.2	33.7	-39.4	0	0	0	112.1	F301 A308 I355 P387 K388	F301-P361 HydrophobicContact CB-CB 4.44Å; F301-P361 HydrophobicContact CB-CG 3.92Å; F301-P361 HydrophobicContact CD1-CB 3.52Å; F301-P361 HydrophobicContact CD1-CG 3.91Å; F301-P361 HydrophobicContact CD2-CB 4.24Å; F301-P361 HydrophobicContact CD2-CG 3.91Å; F301-P361 HydrophobicContact CE1-CB 3.65Å; F301-P361 HydrophobicContact CE1-CG 4.36Å; F301-P361 HydrophobicContact CE2-CB 4.35Å; F301-P361 HydrophobicContact CE2-CG 4.35Å; F301-P361 HydrophobicContact CG-CB 3.82Å; F301-P361 HydrophobicContact CG-CG 3.64Å; F301-P361 HydrophobicContact CZ-CB 4.06Å; A308-P361 HydrophobicContact CB-CB 4.31Å; A308-P361 CarbonylContact O-C 3.58Å; A308-P361 WeakPolarHBondContact O-CA 3.31Å; I355-P361 HydrophobicContact CD1-CG 3.77Å; I355-P361 HydrophobicContact CG1-CG 4.25Å; I355-P361 HydrophobicContact CG2-CG 4.11Å; P361-P387 HydrophobicContact CG-CB 4.19Å; P361-P387 CarbonylContact O-C 3.58Å; P361-P387 VanDerWaalsContact O-CA 3.27Å; P361-P387 WeakPolarHBondContact O-CA 3.18Å; P361-K388 PolarHBondContact O-N 2.61Å
362	S	97.5	Very high	95.1	Very high	17 Å²	17	20.9 Å²	20.9	12%	0.119	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	124.8	167.9	-67.7	0	0	0	0	110.3	A308 Y309 L310 K388	A308-S362 PolarHBondContact O-N 3.07Å; Y309-S362 CarbonylContact C-O 3.57Å; Y309-S362 VanDerWaalsContact CA-O 3.29Å; Y309-S362 WeakPolarHBondContact CA-O 3.41Å; L310-S362 PolarHBondContact N-O 2.92Å; S362-K388 CarbonylContact C-O 3.58Å; S362-K388 VanDerWaalsContact CA-O 3.3Å; S362-K388 WeakPolarHBondContact CA-O 3.35Å
363	V	97.6	Very high	94.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	112.7	175.8	-173.4	0	0	0	0	108.1	F301 L310 C366 K388 V389 K390 C392	F301-V363 HydrophobicContact CE2-CG2 4.2Å; F301-V363 HydrophobicContact CZ-CG2 4.47Å; L310-V363 HydrophobicContact CD2-CG1 4.41Å; L310-V363 CarbonylContact O-C 3.09Å; L310-V363 VanDerWaalsContact O-CA 3.31Å; L310-V363 WeakPolarHBondContact O-CA 3.43Å; V363-C366 HydrophobicContact CG1-CB 4.15Å; V363-K388 PolarHBondContact N-O 3.01Å; V363-V389 CarbonylContact O-C 3.6Å; V363-V389 VanDerWaalsContact O-CA 3.29Å; V363-V389 WeakPolarHBondContact O-CA 3.45Å; V363-K390 PolarHBondContact O-N 2.79Å; V363-C392 PolarHBondContact O-SG 3.38Å; V363-C392 VanDerWaalsContact O-SG 3.4Å
364	E	97.3	Very high	94	Very high	20 Å²	20	27.4 Å²	27.4	9%	0.093	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	139.6	-174.6	-57.9	-155.7	169.2	0	0	113.5	Y309 L310 G311 F312 C366 K390	Y309-E364 HydrophobicContact CE2-CB 4.07Å; Y309-E364 HydrophobicContact CE2-CG 3.94Å; L310-E364 PolarHBondContact O-N 3.36Å; G311-E364 WeakPolarHBondContact CA-O 3.32Å; F312-E364 PolarHBondContact N-O 3.29Å; E364-C366 PolarHBondContact O-N 2.86Å; E364-C366 VanDerWaalsContact O-N 3.09Å; E364-C366 PolarHBondContact O-SG 2.93Å; E364-K390 CarbonylContact C-O 3.59Å; E364-K390 WeakPolarHBondContact CA-O 3.31Å; E364-K390 HydrophobicContact CG-CB 4.13Å
365	N	96.7	Very high	93.3	Very high	59 Å²	59	28.9 Å²	28.9	32%	0.316	17%	0.169	S	C	.	.	S	Bend	trans	51.9	36.2	173.9	-52.6	-46.8	0	0	0	113.9	F312 K390 G391	F312-N365 WeakPolarHBondContact CA-O 3.26Å; F312-N365 HydrophobicContact CD1-CB 3.91Å; F312-N365 HydrophobicContact CE1-CB 3.82Å; F312-N365 WeakPolarHBondContact CE1-ND2 3.39Å; F312-N365 HydrophobicContact CG-CB 4.39Å; F312-N365 HydrophobicContact CZ-CB 4.23Å; F312-N365 WeakPolarHBondContact CZ-ND2 3.48Å; F312-N365 PolarHBondContact N-O 3.1Å; N365-K390 PolarHBondContact N-O 3.49Å; N365-G391 WeakPolarHBondContact CA-O 3.38Å
366	C	97.8	Very high	93.1	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.007	17%	0.171	C	C	.	.			trans	-100.6	151.6	177.6	-62.8	0	0	0	0	111.4	V313 V363 E364 C392 K393	V313-C366 CarbonylContact O-C 3.56Å; V313-C366 WeakPolarHBondContact O-CA 3.44Å; V313-C366 WeakPolarHBondContact O-CB 3.31Å; V363-C366 HydrophobicContact CG1-CB 4.15Å; E364-C366 PolarHBondContact O-N 2.86Å; E364-C366 VanDerWaalsContact O-N 3.09Å; E364-C366 PolarHBondContact O-SG 2.93Å; C366-C392 CarbonylContact O-C 3.56Å; C366-C392 VanDerWaalsContact O-CA 3.22Å; C366-C392 WeakPolarHBondContact O-CA 2.99Å; C366-K393 PolarHBondContact O-N 3.1Å
367	I	97.9	Very high	93	Very high	17 Å²	17	27.9 Å²	27.9	9%	0.087	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	120.3	169	-56.7	172.7	0	0	0	107.6	A286 E287 V313 T314 V315 K369 K393 V395	A286-I367 HydrophobicContact CB-CD1 4.1Å; A286-I367 HydrophobicContact CB-CG1 4.17Å; E287-I367 HydrophobicContact CG-CD1 3.68Å; V313-I367 PolarHBondContact O-N 3.26Å; T314-I367 CarbonylContact C-O 3.56Å; T314-I367 WeakPolarHBondContact CA-O 3.42Å; T314-I367 HydrophobicContact CG2-CB 4.34Å; T314-I367 HydrophobicContact CG2-CG2 4.42Å; V315-I367 PolarHBondContact N-O 3.38Å; I367-K369 HydrophobicContact CG2-CD 4.41Å; I367-K369 HydrophobicContact CG2-CG 4.03Å; I367-K393 CarbonylContact C-O 3.54Å; I367-K393 WeakPolarHBondContact CA-O 3.16Å; I367-K393 HydrophobicContact CG1-CB 4.41Å; I367-V395 HydrophobicContact CG2-CG2 4.4Å
368	I	96.9	Very high	93	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120.4	-177.2	-56.8	175.2	0	0	0	107.6	A352 V353 A377 M378 K393 I394 V395	A352-I368 HydrophobicContact CB-CG2 3.8Å; V353-I368 HydrophobicContact CG2-CD1 3.98Å; V353-I368 HydrophobicContact CG2-CG1 4.28Å; V353-I368 HydrophobicContact CG2-CG2 4.32Å; I368-A377 HydrophobicContact CG2-CB 4.08Å; I368-M378 HydrophobicContact CD1-SD 4.08Å; I368-K393 PolarHBondContact N-O 3.36Å; I368-I394 HydrophobicContact CB-CG1 4.34Å; I368-I394 HydrophobicContact CD1-CG1 4.24Å; I368-V395 PolarHBondContact O-N 2.87Å
369	K	94.8	Very high	93	Very high	59 Å²	59	21.6 Å²	21.6	26%	0.257	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147	-180	-54.7	-162.5	178.4	-153	0	110.6	V315 R316 A317 I367 V395 D396	V315-K369 PolarHBondContact O-N 2.78Å; R316-K369 WeakPolarHBondContact CA-O 3.41Å; A317-K369 PolarHBondContact N-O 2.88Å; I367-K369 HydrophobicContact CG2-CD 4.41Å; I367-K369 HydrophobicContact CG2-CG 4.03Å; K369-V395 WeakPolarHBondContact CG-O 3.2Å; K369-D396 IonicContact NZ-OD2 3.32Å; K369-D396 PolarHBondContact NZ-OD2 3.05Å
370	S	91.8	Very high	93.1	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	120.6	178.4	-176.4	0	0	0	0	111.3	N372 C397 D398	S370-N372 PolarHBondContact O-N 3.11Å; S370-N372 WeakPolarHBondContact OG-CB 3.4Å; S370-N372 VanDerWaalsContact OG-CG 3.23Å; S370-N372 PolarHBondContact OG-N 2.97Å; S370-C397 CarbonylContact O-C 3.52Å; S370-C397 WeakPolarHBondContact O-CA 3.24Å; S370-D398 PolarHBondContact O-N 2.88Å
371	S	90.3	Very high	93.1	Very high	36 Å²	36	23 Å²	23	25%	0.252	14%	0.137	S	C	.	.			trans	-89.4	21.2	169.4	82.2	0	0	0	0	112.2	A317 S318 F319 D398	A317-S371 PolarHBondContact O-N 3.43Å; S318-S371 WeakPolarHBondContact CA-OG 3.21Å; F319-S371 PolarHBondContact N-OG 2.79Å; S371-D398 WeakPolarHBondContact CA-OD2 3.29Å; S371-D398 WeakPolarHBondContact CB-OD2 3.28Å
372	N	82.6	Confident	93	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.011	15%	0.145	C	C	.	.			trans	-82.6	125.1	177	-56.3	2.2	0	0	0	107.9	F319 H350 S370 T374 D398 S399	F319-N372 VanDerWaalsContact CD2-CG 3.46Å; F319-N372 WeakPolarHBondContact CD2-OD1 3.26Å; F319-N372 WeakPolarHBondContact CE2-ND2 3.37Å; F319-N372 WeakPolarHBondContact CE2-OD1 3.47Å; H350-N372 PolarHBondContact O-ND2 3.4Å; S370-N372 PolarHBondContact O-N 3.11Å; S370-N372 WeakPolarHBondContact OG-CB 3.4Å; S370-N372 VanDerWaalsContact OG-CG 3.23Å; S370-N372 PolarHBondContact OG-N 2.97Å; N372-T374 VanDerWaalsContact CB-O 3.27Å; N372-T374 WeakPolarHBondContact CB-O 3.39Å; N372-T374 PolarHBondContact O-N 2.86Å; N372-D398 CarbonylContact O-C 3.32Å; N372-S399 WeakPolarHBondContact O-CB 3.2Å; N372-S399 PolarHBondContact O-N 2.77Å
373	V	82.6	Confident	92.8	Very high	52 Å²	52	28.4 Å²	28.4	32%	0.315	16%	0.163	S	C	.	.	S	Bend	trans	-75.5	-18.7	174.2	-155.2	0	0	0	0	111.4	T321 V326 S399	T321-V373 HydrophobicContact CG2-CG2 3.89Å; V326-V373 HydrophobicContact CG1-CB 4.47Å; V326-V373 HydrophobicContact CG1-CG1 3.85Å; V326-V373 HydrophobicContact CG1-CG2 4.38Å; V373-S399 PolarHBondContact O-OG 3.02Å
374	T	81.6	Confident	92.7	Very high	85 Å²	85	32.2 Å²	32.2	52%	0.521	18%	0.183	S	C	.	.	S	Bend	trans	-113.3	152.3	177.1	60.1	0	0	0	0	111	N372	N372-T374 VanDerWaalsContact CB-O 3.27Å; N372-T374 WeakPolarHBondContact CB-O 3.39Å; N372-T374 PolarHBondContact O-N 2.86Å
375	G	81.7	Confident	92.7	Very high	35 Å²	35	31.2 Å²	31.2	36%	0.361	18%	0.178	S	C	.	.	S	Bend	trans	85.8	-143.5	179	0	0	0	0	0	113.4	S399	G375-S399 PolarHBondContact O-OG 3.12Å
376	S	90.9	Very high	92.7	Very high	6 Å²	6	31.4 Å²	31.4	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	159.9	175.6	63.9	0	0	0	0	110.5	C351 M378 C379 V400 C403	C351-S376 WeakPolarHBondContact CA-O 3.5Å; C351-S376 WeakPolarHBondContact CB-O 3.45Å; S376-M378 WeakPolarHBondContact CB-O 3.43Å; S376-M378 VanDerWaalsContact OG-C 3.28Å; S376-M378 PolarHBondContact OG-O 3.1Å; S376-C379 WeakPolarHBondContact OG-CB 3.21Å; S376-V400 CarbonylContact C-O 3.53Å; S376-V400 WeakPolarHBondContact CA-O 3.45Å; S376-V400 WeakPolarHBondContact CB-O 3.23Å; S376-C403 WeakPolarHBondContact OG-CB 3.44Å
377	A	93.8	Very high	92.8	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.008	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	-42.8	176.3	0	0	0	0	0	111.3	A352 V353 I368 I394 C397 V400 G401	A352-A377 WeakPolarHBondContact CA-O 3.44Å; A352-A377 VanDerWaalsContact CB-O 3.24Å; A352-A377 WeakPolarHBondContact CB-O 3.42Å; A352-A377 PolarHBondContact N-O 3.21Å; V353-A377 PolarHBondContact N-O 2.94Å; I368-A377 HydrophobicContact CG2-CB 4.08Å; A377-I394 HydrophobicContact CB-CG2 4.08Å; A377-C397 HydrophobicContact CB-CB 4.13Å; A377-C397 WeakPolarHBondContact CB-SG 3.39Å; A377-V400 PolarHBondContact N-O 3.06Å; A377-G401 WeakPolarHBondContact CB-O 3.35Å; A377-G401 PolarHBondContact N-O 3.48Å
378	M	96.2	Very high	92.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.6	169	-174.4	172.1	-170.3	0	0	110.1	V353 I355 I368 S376 V380 V389 I394 G401 L402 C403	V353-M378 HydrophobicContact CB-CG 4.25Å; V353-M378 HydrophobicContact CG1-CE 4.29Å; V353-M378 HydrophobicContact CG1-CG 4.48Å; V353-M378 CarbonylContact O-C 3.59Å; V353-M378 VanDerWaalsContact O-CA 3.29Å; V353-M378 WeakPolarHBondContact O-CA 3.44Å; I355-M378 HydrophobicContact CD1-CE 3.33Å; I355-M378 HydrophobicContact CG1-CE 4.26Å; I368-M378 HydrophobicContact CD1-SD 4.08Å; S376-M378 WeakPolarHBondContact CB-O 3.43Å; S376-M378 VanDerWaalsContact OG-C 3.28Å; S376-M378 PolarHBondContact OG-O 3.1Å; M378-V380 HydrophobicContact CE-CG2 4.27Å; M378-V389 HydrophobicContact CE-CG2 3.57Å; M378-V389 HydrophobicContact SD-CG2 4.25Å; M378-I394 HydrophobicContact CB-CD1 4.35Å; M378-I394 HydrophobicContact SD-CD1 4.15Å; M378-G401 PolarHBondContact N-O 3.45Å; M378-L402 HydrophobicContact CB-CD1 3.78Å; M378-L402 HydrophobicContact CG-CD1 3.68Å; M378-L402 WeakPolarHBondContact O-CA 3.41Å; M378-L402 HydrophobicContact SD-CD1 3.89Å; M378-C403 PolarHBondContact O-N 2.88Å
379	C	96.3	Very high	92.8	Very high	19 Å²	19	36.4 Å²	36.4	13%	0.128	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	124.9	177.8	-171	0	0	0	0	110.1	C351 V353 G354 I355 S376 C403	C351-C379 HydrophobicContact CB-CB 4.09Å; V353-C379 PolarHBondContact O-N 3.19Å; G354-C379 CarbonylContact C-O 3.57Å; G354-C379 WeakPolarHBondContact CA-O 3.47Å; I355-C379 PolarHBondContact N-O 3.23Å; S376-C379 WeakPolarHBondContact OG-CB 3.21Å; C379-C403 CarbonylContact C-O 3.55Å; C379-C403 WeakPolarHBondContact CA-O 3.14Å
380	V	97.4	Very high	93	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	113.3	175.3	-170	0	0	0	0	107.8	I355 M378 A385 P387 L402 C403 I404 T405 A408 Y412	I355-V380 HydrophobicContact CB-CB 4.42Å; I355-V380 HydrophobicContact CB-CG1 4.14Å; I355-V380 HydrophobicContact CB-CG2 4.21Å; I355-V380 HydrophobicContact CD1-CG2 4.21Å; I355-V380 HydrophobicContact CG1-CG2 4.47Å; I355-V380 HydrophobicContact CG2-CG1 4.12Å; I355-V380 WeakPolarHBondContact O-CA 3.35Å; M378-V380 HydrophobicContact CE-CG2 4.27Å; V380-A385 HydrophobicContact CG1-CB 3.89Å; V380-P387 HydrophobicContact CG1-CG 3.86Å; V380-P387 HydrophobicContact CG2-CG 3.99Å; V380-L402 HydrophobicContact CG2-CD1 4.35Å; V380-C403 PolarHBondContact N-O 3.23Å; V380-I404 HydrophobicContact CB-CG2 4.37Å; V380-I404 WeakPolarHBondContact O-CA 3.04Å; V380-T405 PolarHBondContact O-N 2.8Å; V380-A408 HydrophobicContact CB-CB 4.45Å; V380-A408 HydrophobicContact CG1-CB 3.9Å; V380-A408 WeakPolarHBondContact O-CB 3.23Å; V380-Y412 WeakPolarHBondContact CG2-OH 3.39Å
381	Q	96.3	Very high	93.3	Very high	70 Å²	70	38.7 Å²	38.7	33%	0.327	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	140.2	-169.8	63.9	176.5	-2.2	0	0	112.9	I355 S356 A357 T405	I355-Q381 PolarHBondContact O-N 2.98Å; S356-Q381 CarbonylContact C-O 3.59Å; S356-Q381 WeakPolarHBondContact CA-O 3.49Å; A357-Q381 PolarHBondContact N-O 2.84Å; Q381-T405 WeakPolarHBondContact CA-O 3.48Å; Q381-T405 HydrophobicContact CB-CG2 3.54Å
382	G	94.9	Very high	93.6	Very high	16 Å²	16	37 Å²	37	17%	0.165	21%	0.205	C	C	.	.	S	Bend	trans	98.3	163.1	170	0	0	0	0	0	114	D384 A385 T405 D406	G382-D384 PolarHBondContact O-N 2.97Å; G382-A385 VanDerWaalsContact O-CB 3.26Å; G382-A385 WeakPolarHBondContact O-CB 3.22Å; G382-A385 PolarHBondContact O-N 2.93Å; G382-T405 PolarHBondContact N-O 2.86Å; G382-D406 CarbonylContact C-O 3.6Å; G382-D406 WeakPolarHBondContact CA-O 3.45Å; G382-D406 PolarHBondContact N-O 2.87Å
383	K	94.2	Very high	94.4	Very high	115 Å²	115	41.3 Å²	41.3	50%	0.5	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	136.7	-179.3	-169.7	-175.6	173.4	-176	0	110.8	A357 Y358 A385 D406	A357-K383 VanDerWaalsContact CA-O 3.26Å; A357-K383 WeakPolarHBondContact CA-O 3.18Å; A357-K383 WeakPolarHBondContact CB-O 3.49Å; Y358-K383 PolarHBondContact N-O 2.86Å; K383-A385 PolarHBondContact O-N 3.18Å; K383-D406 PolarHBondContact N-O 3.05Å
384	D	94.5	Very high	95.1	Very high	79 Å²	79	38.9 Å²	38.9	42%	0.422	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	11.8	179	-52.8	-40.2	0	0	0	114.9	Y358 G382 N386	Y358-D384 HydrophobicContact CD1-CB 3.9Å; Y358-D384 HydrophobicContact CE1-CB 4.35Å; Y358-D384 WeakPolarHBondContact CE1-OD2 3.35Å; G382-D384 PolarHBondContact O-N 2.97Å; D384-N386 PolarHBondContact O-N 3.27Å
385	A	97.5	Very high	95.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.			trans	-68.9	110.5	164.2	0	0	0	0	0	108.6	S356 S359 V380 G382 K383 A408 Q409	S356-A385 WeakPolarHBondContact O-CB 3.13Å; S359-A385 CarbonylContact O-C 3.57Å; S359-A385 WeakPolarHBondContact O-CA 3.18Å; V380-A385 HydrophobicContact CG1-CB 3.89Å; G382-A385 VanDerWaalsContact O-CB 3.26Å; G382-A385 WeakPolarHBondContact O-CB 3.22Å; G382-A385 PolarHBondContact O-N 2.93Å; K383-A385 PolarHBondContact O-N 3.18Å; A385-A408 HydrophobicContact CB-CB 4.14Å; A385-Q409 CarbonylContact O-C 3.51Å; A385-Q409 PolarHBondContact O-N 2.8Å
386	N	97.8	Very high	96.4	Very high	63 Å²	63	36.3 Å²	36.3	34%	0.337	18%	0.184	S	C	.	.			trans	-143.7	71.3	-170.5	-172.1	13.3	0	0	0	112.3	S359 S360 D384 Q409 G410	S359-N386 PolarHBondContact O-N 2.86Å; S360-N386 VanDerWaalsContact CA-O 3.31Å; S360-N386 WeakPolarHBondContact CA-O 3.38Å; S360-N386 WeakPolarHBondContact CB-O 3.29Å; D384-N386 PolarHBondContact O-N 3.27Å; N386-Q409 HydrophobicContact CB-CB 4.27Å; N386-G410 VanDerWaalsContact OD1-CA 3.31Å; N386-G410 WeakPolarHBondContact OD1-CA 3.38Å; N386-G410 PolarHBondContact OD1-N 2.77Å
387	P	98	Very high	96.5	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.			trans	-76.5	159.1	-177.6	32.8	-37.1	0	0	0	113.3	I355 P361 V380 V389 G410 L411	I355-P387 HydrophobicContact CD1-CB 3.5Å; I355-P387 VanDerWaalsContact CD1-CB 3.5Å; I355-P387 HydrophobicContact CD1-CG 3.8Å; I355-P387 HydrophobicContact CG2-CB 4.44Å; I355-P387 HydrophobicContact CG2-CG 4.45Å; P361-P387 HydrophobicContact CG-CB 4.19Å; P361-P387 CarbonylContact O-C 3.58Å; P361-P387 VanDerWaalsContact O-CA 3.27Å; P361-P387 WeakPolarHBondContact O-CA 3.18Å; V380-P387 HydrophobicContact CG1-CG 3.86Å; V380-P387 HydrophobicContact CG2-CG 3.99Å; P387-V389 HydrophobicContact CB-CG2 4.22Å; P387-V389 HydrophobicContact CG-CG2 4.39Å; P387-G410 CarbonylContact O-C 3.57Å; P387-G410 VanDerWaalsContact O-CA 3.25Å; P387-G410 WeakPolarHBondContact O-CA 3.41Å; P387-L411 PolarHBondContact O-N 2.8Å
388	K	98.1	Very high	96.4	Very high	123 Å²	123	39.2 Å²	39.2	54%	0.535	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	110.3	165.9	-65.7	177.7	-177	174.5	0	108.9	P361 S362 V363 L411	P361-K388 PolarHBondContact O-N 2.61Å; S362-K388 CarbonylContact C-O 3.58Å; S362-K388 VanDerWaalsContact CA-O 3.3Å; S362-K388 WeakPolarHBondContact CA-O 3.35Å; V363-K388 PolarHBondContact N-O 3.01Å; K388-L411 CarbonylContact C-O 3.6Å; K388-L411 WeakPolarHBondContact CA-O 3.26Å
389	V	98.3	Very high	96.1	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	121	-178	-172	0	0	0	0	109.3	V363 M378 P387 C392 L411 Y412 V413 N415	V363-V389 CarbonylContact O-C 3.6Å; V363-V389 VanDerWaalsContact O-CA 3.29Å; V363-V389 WeakPolarHBondContact O-CA 3.45Å; M378-V389 HydrophobicContact CE-CG2 3.57Å; M378-V389 HydrophobicContact SD-CG2 4.25Å; P387-V389 HydrophobicContact CB-CG2 4.22Å; P387-V389 HydrophobicContact CG-CG2 4.39Å; V389-C392 HydrophobicContact CG1-CB 3.93Å; V389-L411 PolarHBondContact N-O 3.47Å; V389-Y412 HydrophobicContact CB-CD1 3.65Å; V389-Y412 HydrophobicContact CB-CE1 3.99Å; V389-Y412 HydrophobicContact CG1-CD1 4.29Å; V389-Y412 HydrophobicContact CG2-CD1 3.83Å; V389-Y412 HydrophobicContact CG2-CE1 3.61Å; V389-Y412 CarbonylContact O-C 3.53Å; V389-Y412 VanDerWaalsContact O-CA 3.31Å; V389-Y412 WeakPolarHBondContact O-CA 3.36Å; V389-V413 PolarHBondContact O-N 3.47Å; V389-N415 PolarHBondContact O-ND2 2.83Å
390	K	98.1	Very high	96	Very high	83 Å²	83	38.5 Å²	38.5	36%	0.361	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	131.8	-171.2	-178.4	-174.4	168.6	-160.6	0	113.8	V363 E364 N365 C392 V413 N415	V363-K390 PolarHBondContact O-N 2.79Å; E364-K390 CarbonylContact C-O 3.59Å; E364-K390 WeakPolarHBondContact CA-O 3.31Å; E364-K390 HydrophobicContact CG-CB 4.13Å; N365-K390 PolarHBondContact N-O 3.49Å; K390-C392 PolarHBondContact O-N 2.83Å; K390-V413 VanDerWaalsContact CA-O 3.24Å; K390-V413 WeakPolarHBondContact CA-O 3.46Å; K390-V413 HydrophobicContact CG-CB 4.36Å; K390-N415 VanDerWaalsContact C-OD1 3.31Å; K390-N415 WeakPolarHBondContact CA-OD1 3.4Å; K390-N415 PolarHBondContact N-OD1 2.87Å
391	G	97.6	Very high	95.9	Very high	26 Å²	26	38.5 Å²	38.5	27%	0.268	20%	0.195	S	C	.	.	S	Bend	trans	64.7	17.6	177.2	0	0	0	0	0	113.7	N365 V413 N414 N415	N365-G391 WeakPolarHBondContact CA-O 3.38Å; G391-V413 PolarHBondContact N-O 3.33Å; G391-V413 VanDerWaalsContact N-O 3.09Å; G391-N414 VanDerWaalsContact CA-O 3.31Å; G391-N414 WeakPolarHBondContact CA-O 3.34Å; G391-N414 PolarHBondContact N-O 3.29Å; G391-N415 PolarHBondContact N-OD1 3.02Å; G391-N415 VanDerWaalsContact N-OD1 3.1Å
392	C	98.2	Very high	96	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.179	C	C	.	.			trans	-86.3	151.7	-179	-68.1	0	0	0	0	111.4	V363 C366 V389 K390 N415 E416	V363-C392 PolarHBondContact O-SG 3.38Å; V363-C392 VanDerWaalsContact O-SG 3.4Å; C366-C392 CarbonylContact O-C 3.56Å; C366-C392 VanDerWaalsContact O-CA 3.22Å; C366-C392 WeakPolarHBondContact O-CA 2.99Å; V389-C392 HydrophobicContact CG1-CB 3.93Å; K390-C392 PolarHBondContact O-N 2.83Å; C392-N415 WeakPolarHBondContact CB-OD1 3.48Å; C392-N415 PolarHBondContact N-OD1 3.44Å; C392-N415 WeakPolarHBondContact O-CA 3.22Å; C392-E416 PolarHBondContact O-N 3.4Å
393	K	98.2	Very high	96.1	Very high	93 Å²	93	34.8 Å²	34.8	40%	0.404	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	109.5	171.5	-59.9	-170.4	175.8	-172.4	0	109.4	C366 I367 I368 V395 E416	C366-K393 PolarHBondContact O-N 3.1Å; I367-K393 CarbonylContact C-O 3.54Å; I367-K393 WeakPolarHBondContact CA-O 3.16Å; I367-K393 HydrophobicContact CG1-CB 4.41Å; I368-K393 PolarHBondContact N-O 3.36Å; K393-V395 HydrophobicContact CB-CG1 4.13Å; K393-V395 HydrophobicContact CB-CG2 4.34Å; K393-E416 CarbonylContact C-O 3.53Å; K393-E416 WeakPolarHBondContact CA-O 3.28Å; K393-E416 VanDerWaalsContact CE-OE2 3.28Å; K393-E416 WeakPolarHBondContact CE-OE2 3.35Å; K393-E416 HydrophobicContact CG-CB 4.15Å; K393-E416 IonicContact NZ-OE2 2.85Å
394	I	97.4	Very high	96.2	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	91.5	174.7	-53.5	175.6	0	0	0	107.2	I368 A377 M378 G401 L402 E416 I417 A418	I368-I394 HydrophobicContact CB-CG1 4.34Å; I368-I394 HydrophobicContact CD1-CG1 4.24Å; A377-I394 HydrophobicContact CB-CG2 4.08Å; M378-I394 HydrophobicContact CB-CD1 4.35Å; M378-I394 HydrophobicContact SD-CD1 4.15Å; I394-G401 WeakPolarHBondContact CG2-O 3.27Å; I394-L402 HydrophobicContact CD1-CB 4.1Å; I394-L402 HydrophobicContact CD1-CD2 4.29Å; I394-E416 PolarHBondContact N-O 2.88Å; I394-I417 HydrophobicContact CB-CG1 4.37Å; I394-I417 HydrophobicContact CD1-CG1 4.46Å; I394-I417 WeakPolarHBondContact O-CA 3.47Å; I394-A418 PolarHBondContact O-N 3.09Å
395	V	96.8	Very high	96.4	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.03	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	157	-162.9	-60.3	0	0	0	0	113.4	I367 I368 K369 K393 C397 A418	I367-V395 HydrophobicContact CG2-CG2 4.4Å; I368-V395 PolarHBondContact O-N 2.87Å; K369-V395 WeakPolarHBondContact CG-O 3.2Å; K393-V395 HydrophobicContact CB-CG1 4.13Å; K393-V395 HydrophobicContact CB-CG2 4.34Å; V395-C397 PolarHBondContact O-SG 3.14Å; V395-C397 VanDerWaalsContact O-SG 3.33Å; V395-A418 WeakPolarHBondContact CA-O 3.37Å; V395-A418 HydrophobicContact CG1-CB 4Å
396	D	93.9	Very high	96.4	Very high	61 Å²	61	28.5 Å²	28.5	33%	0.326	15%	0.146	S	C	.	.	S	Bend	trans	58	50.4	174.1	-44.2	-45.7	0	0	0	111.9	K369 A418 R419	K369-D396 IonicContact NZ-OD2 3.32Å; K369-D396 PolarHBondContact NZ-OD2 3.05Å; D396-A418 PolarHBondContact N-O 3.27Å; D396-A418 VanDerWaalsContact N-O 3.15Å; D396-R419 WeakPolarHBondContact CA-O 3.31Å; D396-R419 IonicContact OD1-CZ 3.03Å; D396-R419 VanDerWaalsContact OD1-CZ 3.28Å; D396-R419 IonicContact OD1-NE 2.86Å; D396-R419 PolarHBondContact OD1-NE 2.89Å; D396-R419 IonicContact OD1-NH2 3.85Å; D396-R419 PolarHBondContact OD1-NH2 3.19Å; D396-R419 IonicContact OD2-NH2 2.77Å
397	C	92.8	Very high	96.4	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.007	15%	0.154	C	C	.	.			trans	-106.4	136.4	-177	-53.3	0	0	0	0	112.8	S370 A377 V395 S399 R419 N420 T421	S370-C397 CarbonylContact O-C 3.52Å; S370-C397 WeakPolarHBondContact O-CA 3.24Å; A377-C397 HydrophobicContact CB-CB 4.13Å; A377-C397 WeakPolarHBondContact CB-SG 3.39Å; V395-C397 PolarHBondContact O-SG 3.14Å; V395-C397 VanDerWaalsContact O-SG 3.33Å; C397-S399 PolarHBondContact O-N 3.12Å; C397-R419 PolarHBondContact N-O 3.26Å; C397-N420 HydrophobicContact CB-CB 4.46Å; C397-N420 WeakPolarHBondContact CB-OD1 3.39Å; C397-N420 PolarHBondContact N-OD1 3.38Å; C397-N420 CarbonylContact O-C 3.53Å; C397-N420 WeakPolarHBondContact O-CA 3.49Å; C397-N420 PolarHBondContact SG-OD1 3.01Å; C397-N420 VanDerWaalsContact SG-OD1 3.36Å; C397-T421 PolarHBondContact O-N 3.42Å; C397-T421 PolarHBondContact O-OG1 2.91Å
398	D	91.6	Very high	96.4	Very high	68 Å²	68	30.1 Å²	30.1	36%	0.364	15%	0.154	S	C	.	.	S	Bend	trans	-78.5	4.4	-179.8	-69.9	-22.3	0	0	0	113.7	S370 S371 N372	S370-D398 PolarHBondContact O-N 2.88Å; S371-D398 WeakPolarHBondContact CA-OD2 3.29Å; S371-D398 WeakPolarHBondContact CB-OD2 3.28Å; N372-D398 CarbonylContact O-C 3.32Å
399	S	90.5	Very high	96.4	Very high	4 Å²	4	28.4 Å²	28.4	3%	0.028	15%	0.148	C	C	.	.	S	Bend	trans	-144.8	-147.1	176	-160.4	0	0	0	0	110.3	N372 V373 G375 C397 L422	N372-S399 WeakPolarHBondContact O-CB 3.2Å; N372-S399 PolarHBondContact O-N 2.77Å; V373-S399 PolarHBondContact O-OG 3.02Å; G375-S399 PolarHBondContact O-OG 3.12Å; C397-S399 PolarHBondContact O-N 3.12Å; S399-L422 PolarHBondContact O-N 3.02Å
400	V	93.6	Very high	96.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	137.2	178.3	-177.9	0	0	0	0	110.4	S376 A377 C403 L422 A423 W426	S376-V400 CarbonylContact C-O 3.53Å; S376-V400 WeakPolarHBondContact CA-O 3.45Å; S376-V400 WeakPolarHBondContact CB-O 3.23Å; A377-V400 PolarHBondContact N-O 3.06Å; V400-C403 HydrophobicContact CG1-CB 4.46Å; V400-L422 HydrophobicContact CG2-CB 3.87Å; V400-L422 HydrophobicContact CG2-CD1 4.03Å; V400-A423 WeakPolarHBondContact CA-O 3.45Å; V400-A423 WeakPolarHBondContact CG1-O 3.47Å; V400-W426 HydrophobicContact CB-CD2 4.36Å; V400-W426 HydrophobicContact CG1-CB 4.16Å; V400-W426 HydrophobicContact CG1-CD2 3.91Å; V400-W426 HydrophobicContact CG1-CE3 4.34Å; V400-W426 HydrophobicContact CG1-CG 3.79Å; V400-W426 HydrophobicContact CG2-CD2 3.56Å; V400-W426 HydrophobicContact CG2-CE3 3.7Å; V400-W426 HydrophobicContact CG2-CG 4.28Å; V400-W426 HydrophobicContact CG2-CH2 3.52Å; V400-W426 HydrophobicContact CG2-CZ2 3.37Å; V400-W426 HydrophobicContact CG2-CZ3 3.68Å
401	G	95.7	Very high	96.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	-64.6	175.9	0	0	0	0	0	111.8	A377 M378 I394 A423 G424	A377-G401 WeakPolarHBondContact CB-O 3.35Å; A377-G401 PolarHBondContact N-O 3.48Å; M378-G401 PolarHBondContact N-O 3.45Å; I394-G401 WeakPolarHBondContact CG2-O 3.27Å; G401-A423 PolarHBondContact N-O 3.25Å; G401-A423 VanDerWaalsContact N-O 3.11Å; G401-G424 WeakPolarHBondContact CA-O 3.24Å; G401-G424 PolarHBondContact N-O 3.09Å
402	L	97.2	Very high	96.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	122.2	-177.1	172.9	60.1	0	0	0	110.8	M378 V380 I394 I404 Y412 I417 G424 V425 W426 F435	M378-L402 HydrophobicContact CB-CD1 3.78Å; M378-L402 HydrophobicContact CG-CD1 3.68Å; M378-L402 WeakPolarHBondContact O-CA 3.41Å; M378-L402 HydrophobicContact SD-CD1 3.89Å; V380-L402 HydrophobicContact CG2-CD1 4.35Å; I394-L402 HydrophobicContact CD1-CB 4.1Å; I394-L402 HydrophobicContact CD1-CD2 4.29Å; L402-I404 HydrophobicContact CD1-CG1 4.11Å; L402-I404 HydrophobicContact CD2-CD1 4.11Å; L402-I404 HydrophobicContact CG-CD1 4.15Å; L402-I404 HydrophobicContact CG-CG1 4.03Å; L402-Y412 HydrophobicContact CD1-CE1 4.05Å; L402-Y412 HydrophobicContact CD2-CD1 3.72Å; L402-Y412 HydrophobicContact CD2-CE1 3.47Å; L402-Y412 VanDerWaalsContact CD2-CE1 3.47Å; L402-Y412 HydrophobicContact CG-CE1 4.37Å; L402-I417 HydrophobicContact CD2-CD1 4.24Å; L402-G424 PolarHBondContact N-O 2.96Å; L402-V425 HydrophobicContact CB-CG2 4.42Å; L402-V425 CarbonylContact O-C 3.53Å; L402-V425 WeakPolarHBondContact O-CA 3.27Å; L402-W426 PolarHBondContact O-N 2.81Å; L402-F435 HydrophobicContact CD2-CE1 3.91Å; L402-F435 HydrophobicContact CD2-CZ 3.61Å
403	C	97.2	Very high	96.4	Very high	8 Å²	8	27.7 Å²	27.7	5%	0.054	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.1	175.1	-175.2	0	0	0	0	110.7	S376 M378 C379 V380 V400 W426	S376-C403 WeakPolarHBondContact OG-CB 3.44Å; M378-C403 PolarHBondContact O-N 2.88Å; C379-C403 CarbonylContact C-O 3.55Å; C379-C403 WeakPolarHBondContact CA-O 3.14Å; V380-C403 PolarHBondContact N-O 3.23Å; V400-C403 HydrophobicContact CG1-CB 4.46Å; C403-W426 HydrophobicContact CB-CB 4.4Å
404	I	98	Very high	96.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119.1	179.7	-48.4	171	0	0	0	107.3	V380 L402 A408 Y412 W426 V427 K428 A431 P433 F435	V380-I404 HydrophobicContact CB-CG2 4.37Å; V380-I404 WeakPolarHBondContact O-CA 3.04Å; L402-I404 HydrophobicContact CD1-CG1 4.11Å; L402-I404 HydrophobicContact CD2-CD1 4.11Å; L402-I404 HydrophobicContact CG-CD1 4.15Å; L402-I404 HydrophobicContact CG-CG1 4.03Å; I404-A408 HydrophobicContact CG2-CB 3.79Å; I404-Y412 HydrophobicContact CD1-CD2 4.44Å; I404-Y412 HydrophobicContact CD1-CE1 4.41Å; I404-Y412 HydrophobicContact CD1-CE2 3.55Å; I404-Y412 VanDerWaalsContact CD1-OH 3.31Å; I404-Y412 WeakPolarHBondContact CD1-OH 3.37Å; I404-W426 PolarHBondContact N-O 2.8Å; I404-V427 WeakPolarHBondContact O-CA 2.77Å; I404-K428 PolarHBondContact O-N 2.94Å; I404-A431 HydrophobicContact CB-CB 4.36Å; I404-A431 HydrophobicContact CG2-CB 3.83Å; I404-A431 WeakPolarHBondContact O-CB 3.36Å; I404-P433 HydrophobicContact CD1-CB 3.57Å; I404-P433 HydrophobicContact CD1-CG 3.71Å; I404-P433 HydrophobicContact CG2-CB 4.37Å; I404-P433 HydrophobicContact CG2-CG 4.46Å; I404-F435 HydrophobicContact CD1-CE2 3.84Å; I404-F435 HydrophobicContact CD1-CZ 3.85Å
405	T	97.8	Very high	96.5	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.031	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	163.6	-164.4	-172.5	0	0	0	0	112.9	V380 Q381 G382 A408 K428	V380-T405 PolarHBondContact O-N 2.8Å; Q381-T405 WeakPolarHBondContact CA-O 3.48Å; Q381-T405 HydrophobicContact CB-CG2 3.54Å; G382-T405 PolarHBondContact N-O 2.86Å; T405-A408 WeakPolarHBondContact O-CB 3.1Å; T405-A408 PolarHBondContact O-N 3.49Å; T405-K428 WeakPolarHBondContact CA-O 3.27Å; T405-K428 WeakPolarHBondContact OG1-CE 3.48Å; T405-K428 WeakPolarHBondContact OG1-CG 3.45Å
406	D	97	Very high	96.6	Very high	57 Å²	57	29.4 Å²	29.4	31%	0.305	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	58.8	169.1	-59.1	-82.1	0	0	0	112.3	G382 K383 A408 K429	G382-D406 CarbonylContact C-O 3.6Å; G382-D406 WeakPolarHBondContact CA-O 3.45Å; G382-D406 PolarHBondContact N-O 2.87Å; K383-D406 PolarHBondContact N-O 3.05Å; D406-A408 PolarHBondContact O-N 3.35Å; D406-K429 WeakPolarHBondContact CA-O 3.4Å; D406-K429 PolarHBondContact N-O 3.25Å; D406-K429 WeakPolarHBondContact OD1-CD 3.19Å; D406-K429 IonicContact OD1-NZ 2.63Å; D406-K429 PolarHBondContact OD1-NZ 3.46Å; D406-K429 IonicContact OD2-NZ 3.61Å; D406-K429 PolarHBondContact OD2-NZ 2.93Å
407	L	98	Very high	96.8	Very high	96 Å²	96	26.5 Å²	26.5	50%	0.503	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	6.1	-178.6	-59.3	156.7	0	0	0	115.8	K429 H430	L407-K429 PolarHBondContact N-O 2.92Å; L407-H430 HydrophobicContact CD2-CB 3.58Å; L407-H430 HydrophobicContact CG-CB 4.28Å
408	A	98	Very high	97	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.14	C	C	.	.			trans	-60.9	149.1	178.1	0	0	0	0	0	112.8	V380 A385 I404 T405 D406 A431 S432	V380-A408 HydrophobicContact CB-CB 4.45Å; V380-A408 HydrophobicContact CG1-CB 3.9Å; V380-A408 WeakPolarHBondContact O-CB 3.23Å; A385-A408 HydrophobicContact CB-CB 4.14Å; I404-A408 HydrophobicContact CG2-CB 3.79Å; T405-A408 WeakPolarHBondContact O-CB 3.1Å; T405-A408 PolarHBondContact O-N 3.49Å; D406-A408 PolarHBondContact O-N 3.35Å; A408-A431 CarbonylContact O-C 3.59Å; A408-A431 VanDerWaalsContact O-CA 3.24Å; A408-A431 WeakPolarHBondContact O-CA 3.22Å; A408-A431 WeakPolarHBondContact O-CB 3.45Å; A408-S432 PolarHBondContact O-N 2.92Å
409	Q	97.8	Very high	97.2	Very high	88 Å²	88	28 Å²	28	41%	0.411	14%	0.14	S	C	.	.			trans	-117.5	-160.1	175.5	-60.7	-179.4	9.4	0	0	109.1	A385 N386	A385-Q409 CarbonylContact O-C 3.51Å; A385-Q409 PolarHBondContact O-N 2.8Å; N386-Q409 HydrophobicContact CB-CB 4.27Å
410	G	97.8	Very high	97.3	Very high	3 Å²	3	28 Å²	28	3%	0.031	14%	0.139	C	C	.	.			trans	146.5	154.2	174	0	0	0	0	0	112	N386 P387 I434	N386-G410 VanDerWaalsContact OD1-CA 3.31Å; N386-G410 WeakPolarHBondContact OD1-CA 3.38Å; N386-G410 PolarHBondContact OD1-N 2.77Å; P387-G410 CarbonylContact O-C 3.57Å; P387-G410 VanDerWaalsContact O-CA 3.25Å; P387-G410 WeakPolarHBondContact O-CA 3.41Å; G410-I434 PolarHBondContact O-N 3.42Å
411	L	98.6	Very high	97.3	Very high	60 Å²	60	30.7 Å²	30.7	31%	0.314	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	117	174.2	175.9	62.1	0	0	0	109.7	P387 K388 V389 V413 I434	P387-L411 PolarHBondContact O-N 2.8Å; K388-L411 CarbonylContact C-O 3.6Å; K388-L411 WeakPolarHBondContact CA-O 3.26Å; V389-L411 PolarHBondContact N-O 3.47Å; L411-V413 HydrophobicContact CD1-CG2 3.71Å; L411-V413 HydrophobicContact CD2-CG2 4.26Å; L411-V413 HydrophobicContact CG-CG2 3.75Å; L411-I434 WeakPolarHBondContact CA-O 3.4Å; L411-I434 HydrophobicContact CD1-CB 4.15Å; L411-I434 HydrophobicContact CD1-CG2 3.85Å
412	Y	98.6	Very high	97.1	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	113	-176.7	-57.3	-93.1	0	0	0	109.2	V380 V389 L402 I404 N415 P433 I434 F435 K436 C438	V380-Y412 WeakPolarHBondContact CG2-OH 3.39Å; V389-Y412 HydrophobicContact CB-CD1 3.65Å; V389-Y412 HydrophobicContact CB-CE1 3.99Å; V389-Y412 HydrophobicContact CG1-CD1 4.29Å; V389-Y412 HydrophobicContact CG2-CD1 3.83Å; V389-Y412 HydrophobicContact CG2-CE1 3.61Å; V389-Y412 CarbonylContact O-C 3.53Å; V389-Y412 VanDerWaalsContact O-CA 3.31Å; V389-Y412 WeakPolarHBondContact O-CA 3.36Å; L402-Y412 HydrophobicContact CD1-CE1 4.05Å; L402-Y412 HydrophobicContact CD2-CD1 3.72Å; L402-Y412 HydrophobicContact CD2-CE1 3.47Å; L402-Y412 VanDerWaalsContact CD2-CE1 3.47Å; L402-Y412 HydrophobicContact CG-CE1 4.37Å; I404-Y412 HydrophobicContact CD1-CD2 4.44Å; I404-Y412 HydrophobicContact CD1-CE1 4.41Å; I404-Y412 HydrophobicContact CD1-CE2 3.55Å; I404-Y412 VanDerWaalsContact CD1-OH 3.31Å; I404-Y412 WeakPolarHBondContact CD1-OH 3.37Å; Y412-N415 WeakPolarHBondContact CA-ND2 3.48Å; Y412-P433 HydrophobicContact CD2-CB 4.18Å; Y412-P433 HydrophobicContact CE2-CB 3.74Å; Y412-I434 PolarHBondContact N-O 2.85Å; Y412-F435 HydrophobicContact CD1-CE1 4.19Å; Y412-F435 HydrophobicContact CD1-CZ 4.23Å; Y412-F435 HydrophobicContact CD2-CD1 4.43Å; Y412-F435 HydrophobicContact CD2-CD2 4.02Å; Y412-F435 HydrophobicContact CD2-CE1 4.11Å; Y412-F435 AromaticContact CD2-CE2 3.67Å; Y412-F435 HydrophobicContact CD2-CE2 3.67Å; Y412-F435 HydrophobicContact CD2-CG 4.39Å; Y412-F435 AromaticContact CD2-CZ 3.72Å; Y412-F435 HydrophobicContact CD2-CZ 3.72Å; Y412-F435 HydrophobicContact CE2-CE2 4.11Å; Y412-F435 HydrophobicContact CE2-CZ 4.16Å; Y412-F435 HydrophobicContact CG-CD1 4.08Å; Y412-F435 HydrophobicContact CG-CD2 4.47Å; Y412-F435 AromaticContact CG-CE1 3.72Å; Y412-F435 HydrophobicContact CG-CE1 3.72Å; Y412-F435 HydrophobicContact CG-CE2 4.16Å; Y412-F435 HydrophobicContact CG-CG 4.44Å; Y412-F435 AromaticContact CG-CZ 3.77Å; Y412-F435 HydrophobicContact CG-CZ 3.77Å; Y412-F435 CarbonylContact O-C 3.55Å; Y412-F435 WeakPolarHBondContact O-CA 3.43Å; Y412-K436 PolarHBondContact O-N 3.12Å; Y412-C438 PolarHBondContact O-SG 3.4Å; Y412-C438 VanDerWaalsContact O-SG 3.4Å
413	V	98.7	Very high	96.9	Very high	31 Å²	31	33.4 Å²	33.4	19%	0.188	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	128.2	-172.3	-175.8	0	0	0	0	111.7	V389 K390 G391 L411 N415 K436	V389-V413 PolarHBondContact O-N 3.47Å; K390-V413 VanDerWaalsContact CA-O 3.24Å; K390-V413 WeakPolarHBondContact CA-O 3.46Å; K390-V413 HydrophobicContact CG-CB 4.36Å; G391-V413 PolarHBondContact N-O 3.33Å; G391-V413 VanDerWaalsContact N-O 3.09Å; L411-V413 HydrophobicContact CD1-CG2 3.71Å; L411-V413 HydrophobicContact CD2-CG2 4.26Å; L411-V413 HydrophobicContact CG-CG2 3.75Å; V413-N415 PolarHBondContact N-ND2 2.89Å; V413-N415 PolarHBondContact O-N 3.1Å; V413-K436 WeakPolarHBondContact CA-O 3.41Å; V413-K436 HydrophobicContact CG2-CB 4.38Å
414	N	98.5	Very high	96.8	Very high	85 Å²	85	33.1 Å²	33.1	46%	0.455	17%	0.169	S	C	.	.	S	Bend	trans	55.1	36.4	176.9	-52.9	-24.6	0	0	0	113	G391 K436 N437	G391-N414 VanDerWaalsContact CA-O 3.31Å; G391-N414 WeakPolarHBondContact CA-O 3.34Å; G391-N414 PolarHBondContact N-O 3.29Å; N414-K436 PolarHBondContact N-O 2.95Å; N414-N437 WeakPolarHBondContact CA-O 3.46Å; N414-N437 WeakPolarHBondContact OD1-CB 3.49Å; N414-N437 PolarHBondContact OD1-ND2 2.79Å
415	N	98.5	Very high	96.8	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	17%	0.169	C	C	.	.			trans	-94.5	150.7	178.6	-59.8	-57.4	0	0	0	111.1	V389 K390 G391 C392 Y412 V413 C438 T439	V389-N415 PolarHBondContact O-ND2 2.83Å; K390-N415 VanDerWaalsContact C-OD1 3.31Å; K390-N415 WeakPolarHBondContact CA-OD1 3.4Å; K390-N415 PolarHBondContact N-OD1 2.87Å; G391-N415 PolarHBondContact N-OD1 3.02Å; G391-N415 VanDerWaalsContact N-OD1 3.1Å; C392-N415 WeakPolarHBondContact CB-OD1 3.48Å; C392-N415 PolarHBondContact N-OD1 3.44Å; C392-N415 WeakPolarHBondContact O-CA 3.22Å; Y412-N415 WeakPolarHBondContact CA-ND2 3.48Å; V413-N415 PolarHBondContact N-ND2 2.89Å; V413-N415 PolarHBondContact O-N 3.1Å; N415-C438 CarbonylContact O-C 3.57Å; N415-C438 WeakPolarHBondContact O-CA 3.49Å; N415-T439 PolarHBondContact O-N 2.89Å
416	E	98.4	Very high	96.8	Very high	45 Å²	45	34.9 Å²	34.9	21%	0.21	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.3	175.2	-166.8	-172.2	151.6	0	0	109	C392 K393 I394 Y441	C392-E416 PolarHBondContact O-N 3.4Å; K393-E416 CarbonylContact C-O 3.53Å; K393-E416 WeakPolarHBondContact CA-O 3.28Å; K393-E416 VanDerWaalsContact CE-OE2 3.28Å; K393-E416 WeakPolarHBondContact CE-OE2 3.35Å; K393-E416 HydrophobicContact CG-CB 4.15Å; K393-E416 IonicContact NZ-OE2 2.85Å; I394-E416 PolarHBondContact N-O 2.88Å; E416-Y441 HydrophobicContact CG-CD1 4.49Å; E416-Y441 HydrophobicContact CG-CE1 3.58Å; E416-Y441 WeakPolarHBondContact OE1-CE1 3.18Å; E416-Y441 PolarHBondContact OE1-OH 2.85Å
417	I	98	Very high	96.8	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	107.2	-178.4	-53.8	176.9	0	0	0	107.6	I394 L402 G424 V425 F435 T439 I440 Y441	I394-I417 HydrophobicContact CB-CG1 4.37Å; I394-I417 HydrophobicContact CD1-CG1 4.46Å; I394-I417 WeakPolarHBondContact O-CA 3.47Å; L402-I417 HydrophobicContact CD2-CD1 4.24Å; I417-G424 WeakPolarHBondContact CG2-O 3.2Å; I417-V425 HydrophobicContact CD1-CG2 3.45Å; I417-V425 VanDerWaalsContact CD1-CG2 3.45Å; I417-V425 HydrophobicContact CG2-CG2 4.42Å; I417-F435 HydrophobicContact CD1-CE1 4.09Å; I417-T439 PolarHBondContact N-O 2.83Å; I417-I440 HydrophobicContact CB-CG1 4.34Å; I417-I440 HydrophobicContact CB-CG2 4.44Å; I417-I440 HydrophobicContact CD1-CG1 4.38Å; I417-I440 CarbonylContact O-C 3.6Å; I417-I440 VanDerWaalsContact O-CA 3.27Å; I417-I440 WeakPolarHBondContact O-CA 3.32Å; I417-Y441 PolarHBondContact O-N 3.48Å
418	A	97.3	Very high	96.8	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.008	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	156.1	-165.7	0	0	0	0	0	116.4	I394 V395 D396 N420 Y441	I394-A418 PolarHBondContact O-N 3.09Å; V395-A418 WeakPolarHBondContact CA-O 3.37Å; V395-A418 HydrophobicContact CG1-CB 4Å; D396-A418 PolarHBondContact N-O 3.27Å; D396-A418 VanDerWaalsContact N-O 3.15Å; A418-N420 PolarHBondContact O-N 3.32Å; A418-N420 PolarHBondContact O-OD1 2.85Å; A418-Y441 WeakPolarHBondContact CA-O 3.35Å; A418-Y441 HydrophobicContact CB-CD1 3.6Å; A418-Y441 HydrophobicContact CB-CD2 4.29Å; A418-Y441 HydrophobicContact CB-CE1 3.28Å; A418-Y441 HydrophobicContact CB-CE2 3.99Å; A418-Y441 HydrophobicContact CB-CG 4.09Å; A418-Y441 VanDerWaalsContact CB-CZ 3.46Å; A418-Y441 WeakPolarHBondContact CB-O 3.21Å
419	R	95.2	Very high	96.8	Very high	99 Å²	99	31.4 Å²	31.4	37%	0.374	15%	0.153	S	C	.	.	S	Bend	trans	54.4	41.2	173.5	-57.7	-179.2	-58.4	-76.7	-6	112.9	D396 C397 Y441 D442	D396-R419 WeakPolarHBondContact CA-O 3.31Å; D396-R419 IonicContact OD1-CZ 3.03Å; D396-R419 VanDerWaalsContact OD1-CZ 3.28Å; D396-R419 IonicContact OD1-NE 2.86Å; D396-R419 PolarHBondContact OD1-NE 2.89Å; D396-R419 IonicContact OD1-NH2 3.85Å; D396-R419 PolarHBondContact OD1-NH2 3.19Å; D396-R419 IonicContact OD2-NH2 2.77Å; C397-R419 PolarHBondContact N-O 3.26Å; R419-Y441 PolarHBondContact N-O 3.42Å; R419-Y441 PolarHBondContact NH1-OH 2.91Å; R419-Y441 VanDerWaalsContact NH1-OH 3.11Å; R419-D442 VanDerWaalsContact CA-O 3.29Å; R419-D442 WeakPolarHBondContact CA-O 3.34Å; R419-D442 HydrophobicContact CG-CB 4Å; R419-D442 PolarHBondContact N-O 2.95Å
420	N	93.5	Very high	96.8	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.016	15%	0.154	C	C	.	.			trans	-95	145.7	175.9	-58.6	-45.2	0	0	0	109.9	C397 A418 L422 G443 N444	C397-N420 HydrophobicContact CB-CB 4.46Å; C397-N420 WeakPolarHBondContact CB-OD1 3.39Å; C397-N420 PolarHBondContact N-OD1 3.38Å; C397-N420 CarbonylContact O-C 3.53Å; C397-N420 WeakPolarHBondContact O-CA 3.49Å; C397-N420 PolarHBondContact SG-OD1 3.01Å; C397-N420 VanDerWaalsContact SG-OD1 3.36Å; A418-N420 PolarHBondContact O-N 3.32Å; A418-N420 PolarHBondContact O-OD1 2.85Å; N420-L422 CarbonylContact C-O 3.58Å; N420-G443 WeakPolarHBondContact O-CA 3.21Å; N420-N444 PolarHBondContact O-N 3.24Å
421	T	92.8	Very high	96.8	Very high	57 Å²	57	31.4 Å²	31.4	35%	0.35	15%	0.152	S	C	.	.	S	Bend	trans	-74	-37.7	-175.1	-65.8	0	0	0	0	112.3	C397	C397-T421 PolarHBondContact O-N 3.42Å; C397-T421 PolarHBondContact O-OG1 2.91Å
422	L	92.1	Very high	96.8	Very high	58 Å²	58	31.1 Å²	31.1	30%	0.304	16%	0.155	S	C	.	.	S	Bend	trans	-102.2	-161.3	168.4	-60.6	-179.1	0	0	0	109.3	S399 V400 N420	S399-L422 PolarHBondContact O-N 3.02Å; V400-L422 HydrophobicContact CG2-CB 3.87Å; V400-L422 HydrophobicContact CG2-CD1 4.03Å; N420-L422 CarbonylContact C-O 3.58Å
423	A	92.1	Very high	96.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.			trans	-60.4	150.5	-174.9	0	0	0	0	0	113.5	V400 G401 W426 D445 V446 F449	V400-A423 WeakPolarHBondContact CA-O 3.45Å; V400-A423 WeakPolarHBondContact CG1-O 3.47Å; G401-A423 PolarHBondContact N-O 3.25Å; G401-A423 VanDerWaalsContact N-O 3.11Å; A423-W426 VanDerWaalsContact CB-CD1 3.45Å; A423-D445 PolarHBondContact N-OD2 2.86Å; A423-V446 CarbonylContact C-O 3.55Å; A423-V446 WeakPolarHBondContact CA-O 3.41Å; A423-V446 HydrophobicContact CB-CB 4.37Å; A423-V446 VanDerWaalsContact CB-O 3.26Å; A423-V446 WeakPolarHBondContact CB-O 3.41Å; A423-F449 HydrophobicContact CB-CB 4.32Å
424	G	95.5	Very high	96.8	Very high	2 Å²	2	32.9 Å²	32.9	2%	0.021	16%	0.163	C	C	.	.	S	Bend	trans	-63	-51.9	174.1	0	0	0	0	0	111.6	G401 L402 I417 V446 G447	G401-G424 WeakPolarHBondContact CA-O 3.24Å; G401-G424 PolarHBondContact N-O 3.09Å; L402-G424 PolarHBondContact N-O 2.96Å; I417-G424 WeakPolarHBondContact CG2-O 3.2Å; G424-V446 PolarHBondContact N-O 3.43Å; G424-V446 VanDerWaalsContact N-O 3.07Å; G424-G447 CarbonylContact C-O 3.56Å; G424-G447 VanDerWaalsContact CA-O 3.26Å; G424-G447 WeakPolarHBondContact CA-O 3.49Å; G424-G447 PolarHBondContact N-O 2.95Å; G424-G447 VanDerWaalsContact N-O 3.14Å
425	V	97.8	Very high	96.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	129.7	-179.4	-176.7	0	0	0	0	110.8	L402 I417 V427 F435 I440 G447 L448 F449	L402-V425 HydrophobicContact CB-CG2 4.42Å; L402-V425 CarbonylContact O-C 3.53Å; L402-V425 WeakPolarHBondContact O-CA 3.27Å; I417-V425 HydrophobicContact CD1-CG2 3.45Å; I417-V425 VanDerWaalsContact CD1-CG2 3.45Å; I417-V425 HydrophobicContact CG2-CG2 4.42Å; V425-V427 HydrophobicContact CG1-CG2 4.02Å; V425-F435 HydrophobicContact CG1-CE1 4.49Å; V425-F435 HydrophobicContact CG1-CE2 4.27Å; V425-F435 HydrophobicContact CG1-CZ 3.76Å; V425-F435 HydrophobicContact CG2-CE1 4.16Å; V425-F435 HydrophobicContact CG2-CZ 4.21Å; V425-I440 HydrophobicContact CG2-CD1 3.91Å; V425-G447 PolarHBondContact N-O 2.87Å; V425-L448 HydrophobicContact CB-CD1 3.87Å; V425-L448 HydrophobicContact CG1-CD1 3.87Å; V425-F449 PolarHBondContact O-N 2.89Å
426	W	97.7	Very high	96.8	Very high	41 Å²	41	32.5 Å²	32.5	16%	0.155	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	129.8	165.1	-78.4	2	0	0	0	110.6	V400 L402 C403 I404 A423 F449 F451	V400-W426 HydrophobicContact CB-CD2 4.36Å; V400-W426 HydrophobicContact CG1-CB 4.16Å; V400-W426 HydrophobicContact CG1-CD2 3.91Å; V400-W426 HydrophobicContact CG1-CE3 4.34Å; V400-W426 HydrophobicContact CG1-CG 3.79Å; V400-W426 HydrophobicContact CG2-CD2 3.56Å; V400-W426 HydrophobicContact CG2-CE3 3.7Å; V400-W426 HydrophobicContact CG2-CG 4.28Å; V400-W426 HydrophobicContact CG2-CH2 3.52Å; V400-W426 HydrophobicContact CG2-CZ2 3.37Å; V400-W426 HydrophobicContact CG2-CZ3 3.68Å; L402-W426 PolarHBondContact O-N 2.81Å; C403-W426 HydrophobicContact CB-CB 4.4Å; I404-W426 PolarHBondContact N-O 2.8Å; A423-W426 VanDerWaalsContact CB-CD1 3.45Å; W426-F449 WeakPolarHBondContact CA-O 3.32Å; W426-F449 AromaticContact NE1-CD1 3.65Å; W426-F451 HydrophobicContact CB-CE1 4.16Å; W426-F451 HydrophobicContact CD2-CE1 4.11Å; W426-F451 HydrophobicContact CD2-CZ 4.19Å; W426-F451 HydrophobicContact CE3-CZ 4.34Å; W426-F451 AromaticContact CG-CE1 3.88Å; W426-F451 HydrophobicContact CG-CE1 3.88Å; W426-F451 HydrophobicContact CG-CZ 4.39Å
427	V	98.3	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	112.3	167.8	-171.2	0	0	0	0	108.8	I404 V425 A431 P433 L448 F449 V450 F451 H455 F458	I404-V427 WeakPolarHBondContact O-CA 2.77Å; V425-V427 HydrophobicContact CG1-CG2 4.02Å; V427-A431 HydrophobicContact CG1-CB 3.7Å; V427-A431 WeakPolarHBondContact CG1-O 3.11Å; V427-P433 HydrophobicContact CG1-CG 3.97Å; V427-P433 HydrophobicContact CG2-CG 3.74Å; V427-L448 HydrophobicContact CG2-CD1 4.32Å; V427-F449 PolarHBondContact N-O 3.07Å; V427-V450 HydrophobicContact CB-CG1 4.36Å; V427-V450 HydrophobicContact CB-CG2 4.28Å; V427-V450 HydrophobicContact CG2-CG2 4.49Å; V427-V450 WeakPolarHBondContact O-CA 3.37Å; V427-F451 PolarHBondContact O-N 2.89Å; V427-H455 VanDerWaalsContact CG1-O 3.28Å; V427-H455 WeakPolarHBondContact CG1-O 3.42Å; V427-F458 HydrophobicContact CG2-CZ 4.12Å
428	K	97.7	Very high	96.9	Very high	13 Å²	13	34 Å²	34	6%	0.057	17%	0.166	C	C	.	.			trans	-139.1	168.2	-173.9	71.7	-176.7	-176.6	-178.6	0	114	H347 I404 T405 H430 A431 F451	H347-K428 PolarHBondContact CD2-NZ 3.49Å; H347-K428 PolarHBondContact NE2-NZ 3.5Å; I404-K428 PolarHBondContact O-N 2.94Å; T405-K428 WeakPolarHBondContact CA-O 3.27Å; T405-K428 WeakPolarHBondContact OG1-CE 3.48Å; T405-K428 WeakPolarHBondContact OG1-CG 3.45Å; K428-H430 PolarHBondContact O-N 3.33Å; K428-A431 WeakPolarHBondContact O-CB 3.49Å; K428-A431 PolarHBondContact O-N 3.11Å; K428-A431 VanDerWaalsContact O-N 3.11Å; K428-F451 VanDerWaalsContact CA-O 3.26Å; K428-F451 WeakPolarHBondContact CA-O 3.23Å; K428-F451 HydrophobicContact CB-CD1 4.26Å; K428-F451 HydrophobicContact CB-CD2 3.98Å; K428-F451 HydrophobicContact CB-CE1 4.01Å; K428-F451 HydrophobicContact CB-CE2 3.72Å; K428-F451 HydrophobicContact CB-CG 4.26Å; K428-F451 HydrophobicContact CB-CZ 3.76Å; K428-F451 HydrophobicContact CD-CE1 4.36Å; K428-F451 HydrophobicContact CD-CE2 3.68Å; K428-F451 HydrophobicContact CD-CZ 3.49Å; K428-F451 VanDerWaalsContact CD-CZ 3.49Å; K428-F451 HydrophobicContact CG-CE2 4.35Å; K428-F451 HydrophobicContact CG-CZ 4.21Å
429	K	97.3	Very high	96.9	Very high	68 Å²	68	36 Å²	36	30%	0.296	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	59.6	174.4	-64.3	-177.5	-176.6	177.6	0	112.8	D406 L407 A431 D452	D406-K429 WeakPolarHBondContact CA-O 3.4Å; D406-K429 PolarHBondContact N-O 3.25Å; D406-K429 WeakPolarHBondContact OD1-CD 3.19Å; D406-K429 IonicContact OD1-NZ 2.63Å; D406-K429 PolarHBondContact OD1-NZ 3.46Å; D406-K429 IonicContact OD2-NZ 3.61Å; D406-K429 PolarHBondContact OD2-NZ 2.93Å; L407-K429 PolarHBondContact N-O 2.92Å; K429-A431 PolarHBondContact O-N 3.36Å; K429-A431 VanDerWaalsContact O-N 3.07Å; K429-D452 WeakPolarHBondContact CA-O 3.3Å; K429-D452 WeakPolarHBondContact CG-OD2 3.2Å; K429-D452 PolarHBondContact N-O 2.75Å
430	H	98.1	Very high	97	Very high	90 Å²	90	31.3 Å²	31.3	42%	0.417	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	12.2	178.9	-53.3	-84.5	0	0	0	116.2	L407 K428 D452 H453	L407-H430 HydrophobicContact CD2-CB 3.58Å; L407-H430 HydrophobicContact CG-CB 4.28Å; K428-H430 PolarHBondContact O-N 3.33Å; H430-D452 PolarHBondContact N-O 2.82Å; H430-H453 WeakPolarHBondContact CA-O 3.16Å; H430-H453 WeakPolarHBondContact CE1-CB 3.33Å; H430-H453 AromaticContact CE1-CD2 3.93Å; H430-H453 AromaticContact CE1-CG 3.54Å; H430-H453 WeakPolarHBondContact ND1-CB 3.21Å; H430-H453 AromaticContact NE2-CG 3.94Å
431	A	98.4	Very high	97.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.166	C	C	.	.			trans	-61.3	144.9	172.4	0	0	0	0	0	111.7	I404 A408 V427 K428 K429 H455	I404-A431 HydrophobicContact CB-CB 4.36Å; I404-A431 HydrophobicContact CG2-CB 3.83Å; I404-A431 WeakPolarHBondContact O-CB 3.36Å; A408-A431 CarbonylContact O-C 3.59Å; A408-A431 VanDerWaalsContact O-CA 3.24Å; A408-A431 WeakPolarHBondContact O-CA 3.22Å; A408-A431 WeakPolarHBondContact O-CB 3.45Å; V427-A431 HydrophobicContact CG1-CB 3.7Å; V427-A431 WeakPolarHBondContact CG1-O 3.11Å; K428-A431 WeakPolarHBondContact O-CB 3.49Å; K428-A431 PolarHBondContact O-N 3.11Å; K428-A431 VanDerWaalsContact O-N 3.11Å; K429-A431 PolarHBondContact O-N 3.36Å; K429-A431 VanDerWaalsContact O-N 3.07Å; A431-H455 WeakPolarHBondContact O-CA 3.25Å; A431-H455 PolarHBondContact O-N 3.05Å
432	S	98.2	Very high	97.2	Very high	54 Å²	54	33.5 Å²	33.5	38%	0.378	17%	0.169	S	C	.	.			trans	-140.9	70	-175.2	-173.9	0	0	0	0	112.8	A408	A408-S432 PolarHBondContact O-N 2.92Å
433	P	98.6	Very high	97.2	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.			trans	-80.4	163.7	-179.2	35.1	-37.8	0	0	0	113.5	I404 Y412 V427 F435 G456 Y457	I404-P433 HydrophobicContact CD1-CB 3.57Å; I404-P433 HydrophobicContact CD1-CG 3.71Å; I404-P433 HydrophobicContact CG2-CB 4.37Å; I404-P433 HydrophobicContact CG2-CG 4.46Å; Y412-P433 HydrophobicContact CD2-CB 4.18Å; Y412-P433 HydrophobicContact CE2-CB 3.74Å; V427-P433 HydrophobicContact CG1-CG 3.97Å; V427-P433 HydrophobicContact CG2-CG 3.74Å; P433-F435 HydrophobicContact CB-CD2 4.19Å; P433-F435 HydrophobicContact CB-CE2 3.74Å; P433-F435 HydrophobicContact CG-CD2 4.25Å; P433-F435 HydrophobicContact CG-CE2 3.74Å; P433-G456 CarbonylContact O-C 3.53Å; P433-G456 WeakPolarHBondContact O-CA 3.24Å; P433-Y457 PolarHBondContact O-N 2.88Å
434	I	98.8	Very high	97.2	Very high	70 Å²	70	34.6 Å²	34.6	36%	0.359	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	118.7	174.3	-59.5	174.2	0	0	0	109.2	G410 L411 Y412 K436 Y457	G410-I434 PolarHBondContact O-N 3.42Å; L411-I434 WeakPolarHBondContact CA-O 3.4Å; L411-I434 HydrophobicContact CD1-CB 4.15Å; L411-I434 HydrophobicContact CD1-CG2 3.85Å; Y412-I434 PolarHBondContact N-O 2.85Å; I434-K436 HydrophobicContact CG2-CG 4.25Å; I434-Y457 CarbonylContact C-O 3.59Å; I434-Y457 WeakPolarHBondContact CA-O 3.31Å; I434-Y457 HydrophobicContact CG2-CD1 4.24Å
435	F	98.8	Very high	97.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132.1	174.8	-74.3	-104.7	0	0	0	110.6	L402 I404 Y412 I417 V425 P433 C438 Y457 F458 E459	L402-F435 HydrophobicContact CD2-CE1 3.91Å; L402-F435 HydrophobicContact CD2-CZ 3.61Å; I404-F435 HydrophobicContact CD1-CE2 3.84Å; I404-F435 HydrophobicContact CD1-CZ 3.85Å; Y412-F435 HydrophobicContact CD1-CE1 4.19Å; Y412-F435 HydrophobicContact CD1-CZ 4.23Å; Y412-F435 HydrophobicContact CD2-CD1 4.43Å; Y412-F435 HydrophobicContact CD2-CD2 4.02Å; Y412-F435 HydrophobicContact CD2-CE1 4.11Å; Y412-F435 AromaticContact CD2-CE2 3.67Å; Y412-F435 HydrophobicContact CD2-CE2 3.67Å; Y412-F435 HydrophobicContact CD2-CG 4.39Å; Y412-F435 AromaticContact CD2-CZ 3.72Å; Y412-F435 HydrophobicContact CD2-CZ 3.72Å; Y412-F435 HydrophobicContact CE2-CE2 4.11Å; Y412-F435 HydrophobicContact CE2-CZ 4.16Å; Y412-F435 HydrophobicContact CG-CD1 4.08Å; Y412-F435 HydrophobicContact CG-CD2 4.47Å; Y412-F435 AromaticContact CG-CE1 3.72Å; Y412-F435 HydrophobicContact CG-CE1 3.72Å; Y412-F435 HydrophobicContact CG-CE2 4.16Å; Y412-F435 HydrophobicContact CG-CG 4.44Å; Y412-F435 AromaticContact CG-CZ 3.77Å; Y412-F435 HydrophobicContact CG-CZ 3.77Å; Y412-F435 CarbonylContact O-C 3.55Å; Y412-F435 WeakPolarHBondContact O-CA 3.43Å; I417-F435 HydrophobicContact CD1-CE1 4.09Å; V425-F435 HydrophobicContact CG1-CE1 4.49Å; V425-F435 HydrophobicContact CG1-CE2 4.27Å; V425-F435 HydrophobicContact CG1-CZ 3.76Å; V425-F435 HydrophobicContact CG2-CE1 4.16Å; V425-F435 HydrophobicContact CG2-CZ 4.21Å; P433-F435 HydrophobicContact CB-CD2 4.19Å; P433-F435 HydrophobicContact CB-CE2 3.74Å; P433-F435 HydrophobicContact CG-CD2 4.25Å; P433-F435 HydrophobicContact CG-CE2 3.74Å; F435-C438 HydrophobicContact CD1-CB 4.21Å; F435-Y457 PolarHBondContact N-O 3.25Å; F435-F458 HydrophobicContact CB-CD1 3.62Å; F435-F458 HydrophobicContact CB-CE1 4.1Å; F435-F458 HydrophobicContact CB-CG 4.4Å; F435-F458 HydrophobicContact CD1-CE1 4.47Å; F435-F458 AromaticContact CD2-CD1 3.72Å; F435-F458 HydrophobicContact CD2-CD1 3.72Å; F435-F458 AromaticContact CD2-CE1 3.25Å; F435-F458 HydrophobicContact CD2-CE1 3.25Å; F435-F458 AromaticContact CD2-CZ 3.97Å; F435-F458 HydrophobicContact CD2-CZ 3.97Å; F435-F458 AromaticContact CE2-CE1 3.7Å; F435-F458 HydrophobicContact CE2-CE1 3.7Å; F435-F458 HydrophobicContact CE2-CZ 4.23Å; F435-F458 AromaticContact CG-CD1 3.75Å; F435-F458 HydrophobicContact CG-CD1 3.75Å; F435-F458 AromaticContact CG-CE1 3.7Å; F435-F458 HydrophobicContact CG-CE1 3.7Å; F435-F458 HydrophobicContact CZ-CE1 4.47Å; F435-E459 PolarHBondContact O-N 3.04Å
436	K	98.7	Very high	97	Very high	81 Å²	81	36 Å²	36	35%	0.352	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	130.4	176.5	-62.8	-170.7	173.6	-172.2	0	110.9	Y412 V413 N414 I434 C438 E459	Y412-K436 PolarHBondContact O-N 3.12Å; V413-K436 WeakPolarHBondContact CA-O 3.41Å; V413-K436 HydrophobicContact CG2-CB 4.38Å; N414-K436 PolarHBondContact N-O 2.95Å; I434-K436 HydrophobicContact CG2-CG 4.25Å; K436-C438 PolarHBondContact O-N 3.06Å; K436-C438 VanDerWaalsContact O-N 3.12Å; K436-C438 PolarHBondContact O-SG 2.84Å; K436-C438 VanDerWaalsContact O-SG 3.38Å; K436-E459 WeakPolarHBondContact CA-O 3.32Å; K436-E459 HydrophobicContact CG-CB 4.44Å; K436-E459 IonicContact NZ-OE2 3.75Å
437	N	98.7	Very high	96.9	Very high	76 Å²	76	34 Å²	34	41%	0.406	18%	0.175	S	C	.	.	S	Bend	trans	51.9	35.1	175.7	-54.4	-29.8	0	0	0	113.3	N414 E459 K460	N414-N437 WeakPolarHBondContact CA-O 3.46Å; N414-N437 WeakPolarHBondContact OD1-CB 3.49Å; N414-N437 PolarHBondContact OD1-ND2 2.79Å; N437-E459 PolarHBondContact N-O 3.06Å; N437-K460 WeakPolarHBondContact CA-O 3.38Å; N437-K460 WeakPolarHBondContact OD1-CB 3.41Å; N437-K460 WeakPolarHBondContact OD1-CD 3.34Å
438	C	98.6	Very high	96.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.			trans	-92.7	150.5	178.8	-66.4	0	0	0	0	110.7	Y412 N415 F435 K436 C461 N462	Y412-C438 PolarHBondContact O-SG 3.4Å; Y412-C438 VanDerWaalsContact O-SG 3.4Å; N415-C438 CarbonylContact O-C 3.57Å; N415-C438 WeakPolarHBondContact O-CA 3.49Å; F435-C438 HydrophobicContact CD1-CB 4.21Å; K436-C438 PolarHBondContact O-N 3.06Å; K436-C438 VanDerWaalsContact O-N 3.12Å; K436-C438 PolarHBondContact O-SG 2.84Å; K436-C438 VanDerWaalsContact O-SG 3.38Å; C438-C461 CarbonylContact O-C 3.54Å; C438-C461 WeakPolarHBondContact O-CA 3.49Å; C438-C461 WeakPolarHBondContact O-CB 3.34Å; C438-N462 PolarHBondContact O-N 2.77Å
439	T	98.5	Very high	96.9	Very high	44 Å²	44	34.9 Å²	34.9	27%	0.27	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.2	177	-51.3	0	0	0	0	109.1	N415 I417 Y441 N462 Y464	N415-T439 PolarHBondContact O-N 2.89Å; I417-T439 PolarHBondContact N-O 2.83Å; T439-Y441 HydrophobicContact CG2-CD1 3.68Å; T439-Y441 HydrophobicContact CG2-CE1 4.26Å; T439-Y441 HydrophobicContact CG2-CG 4.42Å; T439-N462 CarbonylContact C-O 3.52Å; T439-N462 WeakPolarHBondContact CA-O 3.4Å; T439-N462 HydrophobicContact CG2-CB 4.37Å; T439-Y464 HydrophobicContact CG2-CD1 4.45Å; T439-Y464 HydrophobicContact CG2-CE1 3.54Å
440	I	97.8	Very high	97	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	107	-177.3	-52.1	173.9	0	0	0	109	I417 V425 G447 N462 I463 Y464 N466	I417-I440 HydrophobicContact CB-CG1 4.34Å; I417-I440 HydrophobicContact CB-CG2 4.44Å; I417-I440 HydrophobicContact CD1-CG1 4.38Å; I417-I440 CarbonylContact O-C 3.6Å; I417-I440 VanDerWaalsContact O-CA 3.27Å; I417-I440 WeakPolarHBondContact O-CA 3.32Å; V425-I440 HydrophobicContact CG2-CD1 3.91Å; I440-G447 WeakPolarHBondContact CG2-O 3.23Å; I440-N462 PolarHBondContact N-O 2.93Å; I440-I463 HydrophobicContact CB-CG1 4.29Å; I440-I463 HydrophobicContact CB-CG2 4.37Å; I440-I463 HydrophobicContact CD1-CD1 4.4Å; I440-I463 HydrophobicContact CD1-CG1 4.37Å; I440-I463 VanDerWaalsContact O-CA 3.27Å; I440-I463 WeakPolarHBondContact O-CA 3.26Å; I440-Y464 PolarHBondContact O-N 2.9Å; I440-Y464 VanDerWaalsContact O-N 3.07Å; I440-N466 PolarHBondContact O-ND2 2.93Å
441	Y	96.9	Very high	97	Very high	29 Å²	29	28.8 Å²	28.8	11%	0.114	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	163.4	-167.3	75.6	-77.3	0	0	0	117.1	E416 I417 A418 R419 T439 G443 Y464	E416-Y441 HydrophobicContact CG-CD1 4.49Å; E416-Y441 HydrophobicContact CG-CE1 3.58Å; E416-Y441 WeakPolarHBondContact OE1-CE1 3.18Å; E416-Y441 PolarHBondContact OE1-OH 2.85Å; I417-Y441 PolarHBondContact O-N 3.48Å; A418-Y441 WeakPolarHBondContact CA-O 3.35Å; A418-Y441 HydrophobicContact CB-CD1 3.6Å; A418-Y441 HydrophobicContact CB-CD2 4.29Å; A418-Y441 HydrophobicContact CB-CE1 3.28Å; A418-Y441 HydrophobicContact CB-CE2 3.99Å; A418-Y441 HydrophobicContact CB-CG 4.09Å; A418-Y441 VanDerWaalsContact CB-CZ 3.46Å; A418-Y441 WeakPolarHBondContact CB-O 3.21Å; R419-Y441 PolarHBondContact N-O 3.42Å; R419-Y441 PolarHBondContact NH1-OH 2.91Å; R419-Y441 VanDerWaalsContact NH1-OH 3.11Å; T439-Y441 HydrophobicContact CG2-CD1 3.68Å; T439-Y441 HydrophobicContact CG2-CE1 4.26Å; T439-Y441 HydrophobicContact CG2-CG 4.42Å; Y441-G443 PolarHBondContact O-N 3.09Å; Y441-Y464 WeakPolarHBondContact CA-O 3.16Å; Y441-Y464 VanDerWaalsContact CB-CE2 3.49Å; Y441-Y464 VanDerWaalsContact CB-CZ 3.43Å; Y441-Y464 VanDerWaalsContact CB-O 3.22Å; Y441-Y464 WeakPolarHBondContact CB-O 3.36Å; Y441-Y464 HydrophobicContact CD1-CE1 4.45Å; Y441-Y464 AromaticContact CD2-CE2 3.58Å; Y441-Y464 HydrophobicContact CD2-CE2 3.58Å; Y441-Y464 AromaticContact CD2-CZ 3.62Å; Y441-Y464 WeakPolarHBondContact CD2-OH 3.32Å; Y441-Y464 HydrophobicContact CG-CD2 4.48Å; Y441-Y464 HydrophobicContact CG-CE1 4.01Å; Y441-Y464 AromaticContact CG-CE2 3.73Å; Y441-Y464 HydrophobicContact CG-CE2 3.73Å; Y441-Y464 AromaticContact CG-CZ 3.45Å; Y441-Y464 VanDerWaalsContact CG-CZ 3.45Å
442	D	93.7	Very high	96.9	Very high	77 Å²	77	31.4 Å²	31.4	41%	0.412	17%	0.166	S	C	.	.			trans	51.1	28.8	176.5	-62.9	-15.1	0	0	0	114.2	R419 Y464	R419-D442 VanDerWaalsContact CA-O 3.29Å; R419-D442 WeakPolarHBondContact CA-O 3.34Å; R419-D442 HydrophobicContact CG-CB 4Å; R419-D442 PolarHBondContact N-O 2.95Å; D442-Y464 PolarHBondContact N-O 3.2Å
443	G	91.2	Very high	96.9	Very high	4 Å²	4	32 Å²	32	4%	0.041	16%	0.162	C	C	.	.			trans	-73.7	146.3	171.2	0	0	0	0	0	111.5	N420 Y441 D445 N466 R467	N420-G443 WeakPolarHBondContact O-CA 3.21Å; Y441-G443 PolarHBondContact O-N 3.09Å; G443-D445 PolarHBondContact O-N 3.08Å; G443-N466 WeakPolarHBondContact CA-OD1 3.12Å; G443-N466 PolarHBondContact N-OD1 3.07Å; G443-N466 WeakPolarHBondContact O-CA 3.1Å; G443-R467 PolarHBondContact O-N 2.74Å
444	N	93	Very high	96.9	Very high	77 Å²	77	32 Å²	32	41%	0.412	16%	0.162	S	C	.	.	S	Bend	trans	-81.9	9	176.2	-176.2	55.8	0	0	0	112.8	N420 R467	N420-N444 PolarHBondContact O-N 3.24Å; N444-R467 WeakPolarHBondContact O-CD 3.39Å; N444-R467 WeakPolarHBondContact OD1-CD 3.32Å; N444-R467 PolarHBondContact OD1-NH1 3.14Å
445	D	93.3	Very high	96.9	Very high	31 Å²	31	31.8 Å²	31.8	17%	0.166	16%	0.16	C	C	.	.	S	Bend	trans	-141.6	-149.9	179.9	-163.2	-7.7	0	0	0	109.6	A423 G443 N466 R467 I468	A423-D445 PolarHBondContact N-OD2 2.86Å; G443-D445 PolarHBondContact O-N 3.08Å; D445-N466 WeakPolarHBondContact O-CB 3.32Å; D445-R467 PolarHBondContact O-N 3.17Å; D445-I468 PolarHBondContact O-N 3.17Å; D445-I468 VanDerWaalsContact O-N 3.14Å; D445-I468 WeakPolarHBondContact OD1-CD1 3.48Å
446	V	94.8	Very high	96.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.			trans	-70.2	142.4	174.4	-178.7	0	0	0	0	111.9	A423 G424 L448 F449 I468 S469 E472	A423-V446 CarbonylContact C-O 3.55Å; A423-V446 WeakPolarHBondContact CA-O 3.41Å; A423-V446 HydrophobicContact CB-CB 4.37Å; A423-V446 VanDerWaalsContact CB-O 3.26Å; A423-V446 WeakPolarHBondContact CB-O 3.41Å; G424-V446 PolarHBondContact N-O 3.43Å; G424-V446 VanDerWaalsContact N-O 3.07Å; V446-L448 VanDerWaalsContact CG1-O 3.32Å; V446-L448 WeakPolarHBondContact CG1-O 3.33Å; V446-F449 HydrophobicContact CG1-CB 4.28Å; V446-I468 HydrophobicContact CG2-CB 3.94Å; V446-I468 HydrophobicContact CG2-CG2 4.04Å; V446-S469 VanDerWaalsContact CA-O 3.3Å; V446-S469 WeakPolarHBondContact CA-O 3.2Å; V446-S469 WeakPolarHBondContact CG1-O 3.38Å; V446-E472 HydrophobicContact CG1-CB 3.7Å; V446-E472 HydrophobicContact CG2-CB 4.09Å; V446-E472 VanDerWaalsContact CG2-OE2 3.32Å; V446-E472 WeakPolarHBondContact CG2-OE2 3.27Å
447	G	96.4	Very high	96.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-65.3	-62.8	173.3	0	0	0	0	0	112.4	G424 V425 I440 S469 G470	G424-G447 CarbonylContact C-O 3.56Å; G424-G447 VanDerWaalsContact CA-O 3.26Å; G424-G447 WeakPolarHBondContact CA-O 3.49Å; G424-G447 PolarHBondContact N-O 2.95Å; G424-G447 VanDerWaalsContact N-O 3.14Å; V425-G447 PolarHBondContact N-O 2.87Å; I440-G447 WeakPolarHBondContact CG2-O 3.23Å; G447-S469 PolarHBondContact N-O 3.35Å; G447-G470 CarbonylContact C-O 3.58Å; G447-G470 VanDerWaalsContact CA-O 3.32Å; G447-G470 WeakPolarHBondContact CA-O 3.29Å; G447-G470 PolarHBondContact N-O 3.08Å
448	L	97.7	Very high	96.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	120	178.5	168.1	62.6	0	0	0	110.7	V425 V427 V446 V450 F458 I463 G470 V471 E472	V425-L448 HydrophobicContact CB-CD1 3.87Å; V425-L448 HydrophobicContact CG1-CD1 3.87Å; V427-L448 HydrophobicContact CG2-CD1 4.32Å; V446-L448 VanDerWaalsContact CG1-O 3.32Å; V446-L448 WeakPolarHBondContact CG1-O 3.33Å; L448-V450 HydrophobicContact CD1-CG2 3.91Å; L448-V450 HydrophobicContact CD2-CG2 4.41Å; L448-V450 HydrophobicContact CG-CG2 4.01Å; L448-F458 HydrophobicContact CD1-CD1 4.42Å; L448-F458 HydrophobicContact CD1-CE1 3.49Å; L448-F458 VanDerWaalsContact CD1-CE1 3.49Å; L448-F458 HydrophobicContact CD1-CE2 4.33Å; L448-F458 HydrophobicContact CD1-CZ 3.44Å; L448-F458 VanDerWaalsContact CD1-CZ 3.44Å; L448-F458 HydrophobicContact CD2-CD1 3.59Å; L448-F458 HydrophobicContact CD2-CD2 3.91Å; L448-F458 HydrophobicContact CD2-CE1 3.46Å; L448-F458 VanDerWaalsContact CD2-CE1 3.46Å; L448-F458 HydrophobicContact CD2-CE2 3.8Å; L448-F458 HydrophobicContact CD2-CG 3.83Å; L448-F458 HydrophobicContact CD2-CZ 3.58Å; L448-F458 HydrophobicContact CG-CE1 4.11Å; L448-F458 HydrophobicContact CG-CZ 4.12Å; L448-I463 HydrophobicContact CB-CD1 4.38Å; L448-G470 PolarHBondContact N-O 3Å; L448-V471 HydrophobicContact CB-CG1 4.48Å; L448-V471 HydrophobicContact CB-CG2 4.31Å; L448-V471 HydrophobicContact CD2-CG1 4.17Å; L448-V471 HydrophobicContact CD2-CG2 4.32Å; L448-V471 HydrophobicContact CG-CG1 4.27Å; L448-V471 CarbonylContact O-C 3.55Å; L448-V471 VanDerWaalsContact O-CA 3.26Å; L448-V471 WeakPolarHBondContact O-CA 3.44Å; L448-E472 PolarHBondContact O-N 2.84Å
449	F	97.8	Very high	96.9	Very high	31 Å²	31	30 Å²	30	14%	0.136	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	115.4	178.6	-165.2	-176.5	0	0	0	111.3	A423 V425 W426 V427 V446 F451 E472 K474	A423-F449 HydrophobicContact CB-CB 4.32Å; V425-F449 PolarHBondContact O-N 2.89Å; W426-F449 WeakPolarHBondContact CA-O 3.32Å; W426-F449 AromaticContact NE1-CD1 3.65Å; V427-F449 PolarHBondContact N-O 3.07Å; V446-F449 HydrophobicContact CG1-CB 4.28Å; F449-F451 HydrophobicContact CB-CD1 4.45Å; F449-F451 AromaticContact CD1-CD1 3.97Å; F449-F451 HydrophobicContact CD1-CD1 3.97Å; F449-F451 AromaticContact CD1-CE1 3.96Å; F449-F451 HydrophobicContact CD1-CE1 3.96Å; F449-F451 HydrophobicContact CD2-CB 4.36Å; F449-F451 AromaticContact CD2-CD1 3.81Å; F449-F451 HydrophobicContact CD2-CD1 3.81Å; F449-F451 HydrophobicContact CD2-CG 4.47Å; F449-F451 HydrophobicContact CE1-CD1 4.22Å; F449-F451 HydrophobicContact CE1-CE1 4.33Å; F449-F451 HydrophobicContact CE2-CB 4.09Å; F449-F451 HydrophobicContact CE2-CD1 4.09Å; F449-F451 HydrophobicContact CE2-CG 4.36Å; F449-F451 AromaticContact CG-CD1 3.78Å; F449-F451 HydrophobicContact CG-CD1 3.78Å; F449-F451 HydrophobicContact CG-CE1 4.11Å; F449-F451 HydrophobicContact CZ-CD1 4.3Å; F449-E472 WeakPolarHBondContact CA-O 3.44Å; F449-E472 HydrophobicContact CD2-CB 3.69Å; F449-E472 HydrophobicContact CD2-CG 3.88Å; F449-E472 HydrophobicContact CE2-CB 3.94Å; F449-E472 VanDerWaalsContact CE2-CD 3.48Å; F449-E472 HydrophobicContact CE2-CG 3.57Å; F449-E472 VanDerWaalsContact CE2-OE1 3.24Å; F449-E472 WeakPolarHBondContact CE2-OE1 3.4Å; F449-E472 HydrophobicContact CG-CB 4.39Å; F449-E472 HydrophobicContact CZ-CG 4.34Å; F449-E472 VanDerWaalsContact CZ-OE1 3.24Å; F449-E472 WeakPolarHBondContact CZ-OE1 3.16Å; F449-K474 HydrophobicContact CE2-CD 3.56Å; F449-K474 HydrophobicContact CE2-CG 3.64Å; F449-K474 HydrophobicContact CZ-CD 3.43Å; F449-K474 VanDerWaalsContact CZ-CD 3.43Å; F449-K474 HydrophobicContact CZ-CG 4.04Å
450	V	98.5	Very high	96.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	114.4	179.9	-173.5	0	0	0	0	109.5	V427 L448 G454 F458 E472 I473 K474 P479	V427-V450 HydrophobicContact CB-CG1 4.36Å; V427-V450 HydrophobicContact CB-CG2 4.28Å; V427-V450 HydrophobicContact CG2-CG2 4.49Å; V427-V450 WeakPolarHBondContact O-CA 3.37Å; L448-V450 HydrophobicContact CD1-CG2 3.91Å; L448-V450 HydrophobicContact CD2-CG2 4.41Å; L448-V450 HydrophobicContact CG-CG2 4.01Å; V450-G454 VanDerWaalsContact CG1-C 3.47Å; V450-G454 WeakPolarHBondContact CG1-O 2.92Å; V450-F458 HydrophobicContact CG2-CE2 4.44Å; V450-E472 PolarHBondContact N-O 3.1Å; V450-I473 VanDerWaalsContact O-CA 3.31Å; V450-I473 WeakPolarHBondContact O-CA 3.32Å; V450-K474 PolarHBondContact O-N 3.08Å; V450-P479 HydrophobicContact CB-CG 4.23Å; V450-P479 HydrophobicContact CG1-CB 4.29Å; V450-P479 HydrophobicContact CG1-CG 4.25Å; V450-P479 HydrophobicContact CG2-CB 4.08Å; V450-P479 HydrophobicContact CG2-CG 4.09Å
451	F	98.1	Very high	96.9	Very high	29 Å²	29	33.3 Å²	33.3	13%	0.127	16%	0.16	C	C	.	.			trans	-146.7	173	-173.1	64.4	-81.8	0	0	0	113.3	W426 V427 K428 F449 H453 G454 K474	W426-F451 HydrophobicContact CB-CE1 4.16Å; W426-F451 HydrophobicContact CD2-CE1 4.11Å; W426-F451 HydrophobicContact CD2-CZ 4.19Å; W426-F451 HydrophobicContact CE3-CZ 4.34Å; W426-F451 AromaticContact CG-CE1 3.88Å; W426-F451 HydrophobicContact CG-CE1 3.88Å; W426-F451 HydrophobicContact CG-CZ 4.39Å; V427-F451 PolarHBondContact O-N 2.89Å; K428-F451 VanDerWaalsContact CA-O 3.26Å; K428-F451 WeakPolarHBondContact CA-O 3.23Å; K428-F451 HydrophobicContact CB-CD1 4.26Å; K428-F451 HydrophobicContact CB-CD2 3.98Å; K428-F451 HydrophobicContact CB-CE1 4.01Å; K428-F451 HydrophobicContact CB-CE2 3.72Å; K428-F451 HydrophobicContact CB-CG 4.26Å; K428-F451 HydrophobicContact CB-CZ 3.76Å; K428-F451 HydrophobicContact CD-CE1 4.36Å; K428-F451 HydrophobicContact CD-CE2 3.68Å; K428-F451 HydrophobicContact CD-CZ 3.49Å; K428-F451 VanDerWaalsContact CD-CZ 3.49Å; K428-F451 HydrophobicContact CG-CE2 4.35Å; K428-F451 HydrophobicContact CG-CZ 4.21Å; F449-F451 HydrophobicContact CB-CD1 4.45Å; F449-F451 AromaticContact CD1-CD1 3.97Å; F449-F451 HydrophobicContact CD1-CD1 3.97Å; F449-F451 AromaticContact CD1-CE1 3.96Å; F449-F451 HydrophobicContact CD1-CE1 3.96Å; F449-F451 HydrophobicContact CD2-CB 4.36Å; F449-F451 AromaticContact CD2-CD1 3.81Å; F449-F451 HydrophobicContact CD2-CD1 3.81Å; F449-F451 HydrophobicContact CD2-CG 4.47Å; F449-F451 HydrophobicContact CE1-CD1 4.22Å; F449-F451 HydrophobicContact CE1-CE1 4.33Å; F449-F451 HydrophobicContact CE2-CB 4.09Å; F449-F451 HydrophobicContact CE2-CD1 4.09Å; F449-F451 HydrophobicContact CE2-CG 4.36Å; F449-F451 AromaticContact CG-CD1 3.78Å; F449-F451 HydrophobicContact CG-CD1 3.78Å; F449-F451 HydrophobicContact CG-CE1 4.11Å; F449-F451 HydrophobicContact CZ-CD1 4.3Å; F451-H453 PolarHBondContact O-N 2.82Å; F451-G454 WeakPolarHBondContact O-CA 3.28Å; F451-G454 PolarHBondContact O-N 2.96Å; F451-K474 VanDerWaalsContact CA-O 3.27Å; F451-K474 WeakPolarHBondContact CA-O 3.27Å; F451-K474 HydrophobicContact CB-CD 4.27Å; F451-K474 HydrophobicContact CB-CG 3.49Å; F451-K474 VanDerWaalsContact CB-CG 3.49Å
452	D	97.7	Very high	97	Very high	56 Å²	56	34.2 Å²	34.2	30%	0.299	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	61.1	178.5	-170.7	17.5	0	0	0	112.7	K429 H430 G454 Q475	K429-D452 WeakPolarHBondContact CA-O 3.3Å; K429-D452 WeakPolarHBondContact CG-OD2 3.2Å; K429-D452 PolarHBondContact N-O 2.75Å; H430-D452 PolarHBondContact N-O 2.82Å; D452-G454 PolarHBondContact O-N 3.44Å; D452-Q475 WeakPolarHBondContact CA-O 3.11Å; D452-Q475 PolarHBondContact N-O 3.26Å
453	H	98.3	Very high	97.2	Very high	67 Å²	67	30.6 Å²	30.6	31%	0.31	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	16.6	-177.1	-49.6	80.2	0	0	0	114.8	H430 F451 H455 Q475 Y476	H430-H453 WeakPolarHBondContact CA-O 3.16Å; H430-H453 WeakPolarHBondContact CE1-CB 3.33Å; H430-H453 AromaticContact CE1-CD2 3.93Å; H430-H453 AromaticContact CE1-CG 3.54Å; H430-H453 WeakPolarHBondContact ND1-CB 3.21Å; H430-H453 AromaticContact NE2-CG 3.94Å; F451-H453 PolarHBondContact O-N 2.82Å; H453-H455 PolarHBondContact O-CD2 3.27Å; H453-H455 VanDerWaalsContact O-CD2 3.23Å; H453-H455 PolarHBondContact O-NE2 3.22Å; H453-Q475 PolarHBondContact N-O 3.34Å; H453-Y476 AromaticContact CE1-CD2 3.85Å; H453-Y476 AromaticContact NE2-CD2 3.59Å; H453-Y476 AromaticContact NE2-CG 3.84Å
454	G	98.3	Very high	97.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.156	C	C	.	.			trans	-59.6	142.6	173.1	0	0	0	0	0	112.2	V450 F451 D452 G477 N478	V450-G454 VanDerWaalsContact CG1-C 3.47Å; V450-G454 WeakPolarHBondContact CG1-O 2.92Å; F451-G454 WeakPolarHBondContact O-CA 3.28Å; F451-G454 PolarHBondContact O-N 2.96Å; D452-G454 PolarHBondContact O-N 3.44Å; G454-G477 CarbonylContact O-C 3.54Å; G454-G477 WeakPolarHBondContact O-CA 3.41Å; G454-N478 PolarHBondContact O-N 3.3Å
455	H	98	Very high	97.5	Very high	65 Å²	65	30.8 Å²	30.8	30%	0.301	15%	0.149	S	C	.	.			trans	-117.1	-154.1	176.8	-68.3	-72.3	0	0	0	109.7	V427 A431 H453 N478	V427-H455 VanDerWaalsContact CG1-O 3.28Å; V427-H455 WeakPolarHBondContact CG1-O 3.42Å; A431-H455 WeakPolarHBondContact O-CA 3.25Å; A431-H455 PolarHBondContact O-N 3.05Å; H453-H455 PolarHBondContact O-CD2 3.27Å; H453-H455 VanDerWaalsContact O-CD2 3.23Å; H453-H455 PolarHBondContact O-NE2 3.22Å; H455-N478 PolarHBondContact ND1-O 3.11Å
456	G	97.8	Very high	97.5	Very high	6 Å²	6	29.4 Å²	29.4	6%	0.062	14%	0.141	C	C	.	.			trans	131.6	156.4	172.5	0	0	0	0	0	112.5	P433 P479 T480	P433-G456 CarbonylContact O-C 3.53Å; P433-G456 WeakPolarHBondContact O-CA 3.24Å; G456-P479 CarbonylContact O-C 3.51Å; G456-P479 WeakPolarHBondContact O-CA 3.24Å; G456-T480 PolarHBondContact O-N 2.74Å
457	Y	98.8	Very high	97.3	Very high	83 Å²	83	34.5 Å²	34.5	33%	0.325	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	113.7	179.5	-174.6	-91	0	0	0	109.6	P433 I434 F435 E459 T480 V482	P433-Y457 PolarHBondContact O-N 2.88Å; I434-Y457 CarbonylContact C-O 3.59Å; I434-Y457 WeakPolarHBondContact CA-O 3.31Å; I434-Y457 HydrophobicContact CG2-CD1 4.24Å; F435-Y457 PolarHBondContact N-O 3.25Å; Y457-E459 HydrophobicContact CD1-CB 4.24Å; Y457-E459 HydrophobicContact CE1-CB 3.63Å; Y457-E459 HydrophobicContact CE1-CG 4.47Å; Y457-T480 WeakPolarHBondContact CA-O 3.45Å; Y457-T480 HydrophobicContact CD2-CG2 3.71Å; Y457-T480 HydrophobicContact CE2-CG2 3.8Å; Y457-V482 HydrophobicContact CE1-CG1 4.19Å; Y457-V482 HydrophobicContact CE2-CG1 3.98Å; Y457-V482 WeakPolarHBondContact OH-CG1 3.29Å
458	F	98.7	Very high	97.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	110	-175.9	-58.6	-94.1	0	0	0	108.9	V427 F435 L448 V450 P479 T480 I481 V482 C484	V427-F458 HydrophobicContact CG2-CZ 4.12Å; F435-F458 HydrophobicContact CB-CD1 3.62Å; F435-F458 HydrophobicContact CB-CE1 4.1Å; F435-F458 HydrophobicContact CB-CG 4.4Å; F435-F458 HydrophobicContact CD1-CE1 4.47Å; F435-F458 AromaticContact CD2-CD1 3.72Å; F435-F458 HydrophobicContact CD2-CD1 3.72Å; F435-F458 AromaticContact CD2-CE1 3.25Å; F435-F458 HydrophobicContact CD2-CE1 3.25Å; F435-F458 AromaticContact CD2-CZ 3.97Å; F435-F458 HydrophobicContact CD2-CZ 3.97Å; F435-F458 AromaticContact CE2-CE1 3.7Å; F435-F458 HydrophobicContact CE2-CE1 3.7Å; F435-F458 HydrophobicContact CE2-CZ 4.23Å; F435-F458 AromaticContact CG-CD1 3.75Å; F435-F458 HydrophobicContact CG-CD1 3.75Å; F435-F458 AromaticContact CG-CE1 3.7Å; F435-F458 HydrophobicContact CG-CE1 3.7Å; F435-F458 HydrophobicContact CZ-CE1 4.47Å; L448-F458 HydrophobicContact CD1-CD1 4.42Å; L448-F458 HydrophobicContact CD1-CE1 3.49Å; L448-F458 VanDerWaalsContact CD1-CE1 3.49Å; L448-F458 HydrophobicContact CD1-CE2 4.33Å; L448-F458 HydrophobicContact CD1-CZ 3.44Å; L448-F458 VanDerWaalsContact CD1-CZ 3.44Å; L448-F458 HydrophobicContact CD2-CD1 3.59Å; L448-F458 HydrophobicContact CD2-CD2 3.91Å; L448-F458 HydrophobicContact CD2-CE1 3.46Å; L448-F458 VanDerWaalsContact CD2-CE1 3.46Å; L448-F458 HydrophobicContact CD2-CE2 3.8Å; L448-F458 HydrophobicContact CD2-CG 3.83Å; L448-F458 HydrophobicContact CD2-CZ 3.58Å; L448-F458 HydrophobicContact CG-CE1 4.11Å; L448-F458 HydrophobicContact CG-CZ 4.12Å; V450-F458 HydrophobicContact CG2-CE2 4.44Å; F458-P479 HydrophobicContact CD2-CB 4.22Å; F458-P479 HydrophobicContact CE2-CB 3.98Å; F458-T480 PolarHBondContact N-O 3.35Å; F458-I481 HydrophobicContact CD2-CG1 4.31Å; F458-V482 PolarHBondContact O-N 2.9Å; F458-C484 PolarHBondContact O-SG 3.2Å
459	E	98.8	Very high	96.8	Very high	29 Å²	29	37.5 Å²	37.5	14%	0.136	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.4	-177.7	175.9	176.1	-151.9	0	0	111.4	F435 K436 N437 Y457 C461 V482 R483	F435-E459 PolarHBondContact O-N 3.04Å; K436-E459 WeakPolarHBondContact CA-O 3.32Å; K436-E459 HydrophobicContact CG-CB 4.44Å; K436-E459 IonicContact NZ-OE2 3.75Å; N437-E459 PolarHBondContact N-O 3.06Å; Y457-E459 HydrophobicContact CD1-CB 4.24Å; Y457-E459 HydrophobicContact CE1-CB 3.63Å; Y457-E459 HydrophobicContact CE1-CG 4.47Å; E459-C461 PolarHBondContact O-N 3.02Å; E459-C461 VanDerWaalsContact O-N 3.08Å; E459-C461 PolarHBondContact O-SG 3.18Å; E459-V482 VanDerWaalsContact CA-O 3.28Å; E459-V482 WeakPolarHBondContact CA-O 3.27Å; E459-V482 HydrophobicContact CB-CG1 3.99Å; E459-V482 HydrophobicContact CG-CG1 4.3Å; E459-R483 IonicContact OE1-NH1 3.5Å; E459-R483 PolarHBondContact OE1-NH1 2.87Å
460	K	98.7	Very high	96.7	Very high	114 Å²	114	36.1 Å²	36.1	50%	0.496	17%	0.171	S	C	.	.	S	Bend	trans	54.7	29.9	174.3	-65.2	173.6	-176.6	177.8	0	113.7	N437 V482 R483	N437-K460 WeakPolarHBondContact CA-O 3.38Å; N437-K460 WeakPolarHBondContact OD1-CB 3.41Å; N437-K460 WeakPolarHBondContact OD1-CD 3.34Å; K460-V482 PolarHBondContact N-O 2.85Å; K460-V482 VanDerWaalsContact N-O 3.07Å; K460-R483 VanDerWaalsContact CA-O 3.32Å; K460-R483 WeakPolarHBondContact CA-O 3.48Å; K460-R483 HydrophobicContact CG-CB 4.02Å
461	C	98.6	Very high	96.7	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.014	17%	0.171	C	C	.	.			trans	-81.6	147.8	176	-61.1	0	0	0	0	110.3	C438 E459 I463 C484 T485	C438-C461 CarbonylContact O-C 3.54Å; C438-C461 WeakPolarHBondContact O-CA 3.49Å; C438-C461 WeakPolarHBondContact O-CB 3.34Å; E459-C461 PolarHBondContact O-N 3.02Å; E459-C461 VanDerWaalsContact O-N 3.08Å; E459-C461 PolarHBondContact O-SG 3.18Å; C461-I463 HydrophobicContact CB-CG1 4.47Å; C461-C484 PolarHBondContact N-SG 2.7Å; C461-C484 CarbonylContact O-C 3.47Å; C461-C484 WeakPolarHBondContact O-CA 3.37Å; C461-C484 VanDerWaalsContact O-CB 3.27Å; C461-C484 WeakPolarHBondContact O-CB 3.29Å; C461-T485 PolarHBondContact O-N 2.7Å
462	N	98.4	Very high	96.7	Very high	47 Å²	47	35.8 Å²	35.8	25%	0.251	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	114.5	173.7	-169.9	24.9	0	0	0	109.5	C438 T439 I440 Y464 T485 H487	C438-N462 PolarHBondContact O-N 2.77Å; T439-N462 CarbonylContact C-O 3.52Å; T439-N462 WeakPolarHBondContact CA-O 3.4Å; T439-N462 HydrophobicContact CG2-CB 4.37Å; I440-N462 PolarHBondContact N-O 2.93Å; N462-Y464 WeakPolarHBondContact ND2-CD1 3.42Å; N462-Y464 WeakPolarHBondContact ND2-CE1 3.32Å; N462-T485 WeakPolarHBondContact CA-O 3.27Å; N462-T485 PolarHBondContact OD1-O 3.16Å; N462-H487 PolarHBondContact OD1-CD2 2.86Å; N462-H487 PolarHBondContact OD1-NE2 3.27Å; N462-H487 VanDerWaalsContact OD1-NE2 3.13Å
463	I	98	Very high	96.7	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	113.5	-173.2	-52	178.7	0	0	0	109.1	I440 L448 C461 G470 V471 T485 I486 H487	I440-I463 HydrophobicContact CB-CG1 4.29Å; I440-I463 HydrophobicContact CB-CG2 4.37Å; I440-I463 HydrophobicContact CD1-CD1 4.4Å; I440-I463 HydrophobicContact CD1-CG1 4.37Å; I440-I463 VanDerWaalsContact O-CA 3.27Å; I440-I463 WeakPolarHBondContact O-CA 3.26Å; L448-I463 HydrophobicContact CB-CD1 4.38Å; C461-I463 HydrophobicContact CB-CG1 4.47Å; I463-G470 WeakPolarHBondContact CG2-O 3.1Å; I463-V471 HydrophobicContact CD1-CG2 3.81Å; I463-T485 PolarHBondContact N-O 3.19Å; I463-I486 HydrophobicContact CB-CG1 4.37Å; I463-I486 HydrophobicContact CD1-CG1 4.49Å; I463-I486 VanDerWaalsContact O-CA 3.32Å; I463-I486 WeakPolarHBondContact O-CA 3.04Å; I463-H487 PolarHBondContact O-N 2.87Å
464	Y	96.8	Very high	96.7	Very high	61 Å²	61	31.1 Å²	31.1	24%	0.239	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	165.2	-173.2	66.8	-91.3	0	0	0	115.6	T439 I440 Y441 D442 N462 N466 H487	T439-Y464 HydrophobicContact CG2-CD1 4.45Å; T439-Y464 HydrophobicContact CG2-CE1 3.54Å; I440-Y464 PolarHBondContact O-N 2.9Å; I440-Y464 VanDerWaalsContact O-N 3.07Å; Y441-Y464 WeakPolarHBondContact CA-O 3.16Å; Y441-Y464 VanDerWaalsContact CB-CE2 3.49Å; Y441-Y464 VanDerWaalsContact CB-CZ 3.43Å; Y441-Y464 VanDerWaalsContact CB-O 3.22Å; Y441-Y464 WeakPolarHBondContact CB-O 3.36Å; Y441-Y464 HydrophobicContact CD1-CE1 4.45Å; Y441-Y464 AromaticContact CD2-CE2 3.58Å; Y441-Y464 HydrophobicContact CD2-CE2 3.58Å; Y441-Y464 AromaticContact CD2-CZ 3.62Å; Y441-Y464 WeakPolarHBondContact CD2-OH 3.32Å; Y441-Y464 HydrophobicContact CG-CD2 4.48Å; Y441-Y464 HydrophobicContact CG-CE1 4.01Å; Y441-Y464 AromaticContact CG-CE2 3.73Å; Y441-Y464 HydrophobicContact CG-CE2 3.73Å; Y441-Y464 AromaticContact CG-CZ 3.45Å; Y441-Y464 VanDerWaalsContact CG-CZ 3.45Å; D442-Y464 PolarHBondContact N-O 3.2Å; N462-Y464 WeakPolarHBondContact ND2-CD1 3.42Å; N462-Y464 WeakPolarHBondContact ND2-CE1 3.32Å; Y464-N466 PolarHBondContact O-N 3.21Å; Y464-N466 PolarHBondContact O-ND2 2.8Å; Y464-H487 WeakPolarHBondContact CA-O 3.36Å; Y464-H487 WeakPolarHBondContact CB-CE1 3.27Å; Y464-H487 WeakPolarHBondContact CB-NE2 3.33Å; Y464-H487 WeakPolarHBondContact CB-O 3.41Å; Y464-H487 AromaticContact CD1-NE2 3.7Å; Y464-H487 AromaticContact CG-CE1 3.63Å; Y464-H487 AromaticContact CG-NE2 3.71Å
465	G	93.6	Very high	96.6	Very high	25 Å²	25	33 Å²	33	26%	0.258	15%	0.154	S	C	.	.			trans	67.2	4.4	172.5	0	0	0	0	0	115.3	S488	G465-S488 WeakPolarHBondContact CA-O 3.41Å; G465-S488 PolarHBondContact N-O 2.94Å
466	N	93.1	Very high	96.7	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	16%	0.159	C	C	.	.			trans	-73.4	141.1	179.4	-61.6	-65.7	0	0	0	110.5	I440 G443 D445 Y464 I468 L490	I440-N466 PolarHBondContact O-ND2 2.93Å; G443-N466 WeakPolarHBondContact CA-OD1 3.12Å; G443-N466 PolarHBondContact N-OD1 3.07Å; G443-N466 WeakPolarHBondContact O-CA 3.1Å; D445-N466 WeakPolarHBondContact O-CB 3.32Å; Y464-N466 PolarHBondContact O-N 3.21Å; Y464-N466 PolarHBondContact O-ND2 2.8Å; N466-I468 PolarHBondContact O-N 3.34Å; N466-L490 PolarHBondContact O-N 3.06Å
467	R	92.3	Very high	96.7	Very high	107 Å²	107	34.5 Å²	34.5	40%	0.404	16%	0.156	S	C	.	.	S	Bend	trans	-70.7	-30.5	-173.9	175.2	174	174.8	-171.1	-6.3	113.7	G443 N444 D445 L490	G443-R467 PolarHBondContact O-N 2.74Å; N444-R467 WeakPolarHBondContact O-CD 3.39Å; N444-R467 WeakPolarHBondContact OD1-CD 3.32Å; N444-R467 PolarHBondContact OD1-NH1 3.14Å; D445-R467 PolarHBondContact O-N 3.17Å; R467-L490 HydrophobicContact CB-CD1 4.32Å; R467-L490 HydrophobicContact CG-CD1 4.14Å; R467-L490 WeakPolarHBondContact O-CB 3.26Å
468	I	91.6	Very high	96.7	Very high	63 Å²	63	32.3 Å²	32.3	32%	0.323	15%	0.15	S	C	.	.	S	Bend	trans	-100	-127.2	171.8	-50	-170.9	0	0	0	107.9	D445 V446 N466 T491	D445-I468 PolarHBondContact O-N 3.17Å; D445-I468 VanDerWaalsContact O-N 3.14Å; D445-I468 WeakPolarHBondContact OD1-CD1 3.48Å; V446-I468 HydrophobicContact CG2-CB 3.94Å; V446-I468 HydrophobicContact CG2-CG2 4.04Å; N466-I468 PolarHBondContact O-N 3.34Å; I468-T491 WeakPolarHBondContact CA-OG1 3.39Å; I468-T491 HydrophobicContact CG2-CG2 4.3Å; I468-T491 PolarHBondContact O-N 3.18Å; I468-T491 PolarHBondContact O-OG1 3.3Å
469	S	91.6	Very high	96.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.15	C	C	.	.			trans	-91.8	152.3	-175.4	-65.7	0	0	0	0	109.4	V446 G447 V471 T491 G492	V446-S469 VanDerWaalsContact CA-O 3.3Å; V446-S469 WeakPolarHBondContact CA-O 3.2Å; V446-S469 WeakPolarHBondContact CG1-O 3.38Å; G447-S469 PolarHBondContact N-O 3.35Å; S469-V471 VanDerWaalsContact C-N 3.29Å; S469-T491 WeakPolarHBondContact CA-OG1 3.45Å; S469-T491 PolarHBondContact N-OG1 2.82Å; S469-T491 VanDerWaalsContact N-OG1 3.12Å; S469-T491 PolarHBondContact OG-OG1 3.34Å; S469-T491 VanDerWaalsContact OG-OG1 3.05Å; S469-G492 WeakPolarHBondContact CA-O 3.26Å; S469-G492 WeakPolarHBondContact CB-O 3.39Å; S469-G492 PolarHBondContact OG-O 3.23Å
470	G	95.2	Very high	96.7	Very high	3 Å²	3	33 Å²	33	3%	0.031	16%	0.157	C	C	.	.	S	Bend	trans	-60.3	-46.6	171.2	0	0	0	0	0	110.3	G447 L448 I463 G492 G493	G447-G470 CarbonylContact C-O 3.58Å; G447-G470 VanDerWaalsContact CA-O 3.32Å; G447-G470 WeakPolarHBondContact CA-O 3.29Å; G447-G470 PolarHBondContact N-O 3.08Å; L448-G470 PolarHBondContact N-O 3Å; I463-G470 WeakPolarHBondContact CG2-O 3.1Å; G470-G492 PolarHBondContact N-O 3.5Å; G470-G493 WeakPolarHBondContact CA-O 3.19Å; G470-G493 PolarHBondContact N-O 3.09Å; G470-G493 VanDerWaalsContact N-O 3.07Å
471	V	97.8	Very high	96.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	136.5	177.1	-176	0	0	0	0	110.2	L448 I463 S469 I473 I481 I486 G493 I494 Y495	L448-V471 HydrophobicContact CB-CG1 4.48Å; L448-V471 HydrophobicContact CB-CG2 4.31Å; L448-V471 HydrophobicContact CD2-CG1 4.17Å; L448-V471 HydrophobicContact CD2-CG2 4.32Å; L448-V471 HydrophobicContact CG-CG1 4.27Å; L448-V471 CarbonylContact O-C 3.55Å; L448-V471 VanDerWaalsContact O-CA 3.26Å; L448-V471 WeakPolarHBondContact O-CA 3.44Å; I463-V471 HydrophobicContact CD1-CG2 3.81Å; S469-V471 VanDerWaalsContact C-N 3.29Å; V471-I473 HydrophobicContact CG1-CD1 4.38Å; V471-I473 HydrophobicContact CG1-CG1 4.02Å; V471-I481 HydrophobicContact CB-CD1 4.45Å; V471-I481 HydrophobicContact CG1-CD1 3.71Å; V471-I481 HydrophobicContact CG2-CD1 4.22Å; V471-I486 HydrophobicContact CG2-CD1 3.89Å; V471-G493 PolarHBondContact N-O 3.46Å; V471-I494 HydrophobicContact CB-CB 4.46Å; V471-I494 HydrophobicContact CB-CG1 4.16Å; V471-I494 HydrophobicContact CB-CG2 4.2Å; V471-I494 HydrophobicContact CG1-CG2 4.38Å; V471-I494 HydrophobicContact CG2-CG1 4.4Å; V471-I494 CarbonylContact O-C 3.57Å; V471-I494 VanDerWaalsContact O-CA 3.32Å; V471-I494 WeakPolarHBondContact O-CA 3.24Å; V471-Y495 PolarHBondContact O-N 2.92Å
472	E	97.8	Very high	96.7	Very high	22 Å²	22	27.9 Å²	27.9	10%	0.103	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.8	169.1	-170.1	175.4	146	0	0	110.3	V446 L448 F449 V450 Y495 H497	V446-E472 HydrophobicContact CG1-CB 3.7Å; V446-E472 HydrophobicContact CG2-CB 4.09Å; V446-E472 VanDerWaalsContact CG2-OE2 3.32Å; V446-E472 WeakPolarHBondContact CG2-OE2 3.27Å; L448-E472 PolarHBondContact O-N 2.84Å; F449-E472 WeakPolarHBondContact CA-O 3.44Å; F449-E472 HydrophobicContact CD2-CB 3.69Å; F449-E472 HydrophobicContact CD2-CG 3.88Å; F449-E472 HydrophobicContact CE2-CB 3.94Å; F449-E472 VanDerWaalsContact CE2-CD 3.48Å; F449-E472 HydrophobicContact CE2-CG 3.57Å; F449-E472 VanDerWaalsContact CE2-OE1 3.24Å; F449-E472 WeakPolarHBondContact CE2-OE1 3.4Å; F449-E472 HydrophobicContact CG-CB 4.39Å; F449-E472 HydrophobicContact CZ-CG 4.34Å; F449-E472 VanDerWaalsContact CZ-OE1 3.24Å; F449-E472 WeakPolarHBondContact CZ-OE1 3.16Å; V450-E472 PolarHBondContact N-O 3.1Å; E472-Y495 CarbonylContact C-O 3.54Å; E472-Y495 WeakPolarHBondContact CA-O 3.39Å; E472-Y495 HydrophobicContact CG-CD1 4.08Å; E472-H497 IonicContact OE1-CD2 3.28Å; E472-H497 IonicContact OE1-CE1 3.58Å; E472-H497 IonicContact OE1-NE2 2.74Å; E472-H497 PolarHBondContact OE1-NE2 2.93Å
473	I	98.4	Very high	96.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	116.6	-179	-52	172.4	0	0	0	108.6	V450 V471 G477 P479 I481 I494 Y495 V496 H497 R501	V450-I473 VanDerWaalsContact O-CA 3.31Å; V450-I473 WeakPolarHBondContact O-CA 3.32Å; V471-I473 HydrophobicContact CG1-CD1 4.38Å; V471-I473 HydrophobicContact CG1-CG1 4.02Å; I473-G477 WeakPolarHBondContact CG2-O 3.24Å; I473-P479 HydrophobicContact CD1-CG 3.49Å; I473-P479 VanDerWaalsContact CD1-CG 3.49Å; I473-P479 HydrophobicContact CG1-CG 3.87Å; I473-P479 HydrophobicContact CG2-CG 4.49Å; I473-I481 HydrophobicContact CD1-CD1 4.46Å; I473-I494 HydrophobicContact CD1-CG2 4.35Å; I473-Y495 PolarHBondContact N-O 2.92Å; I473-V496 HydrophobicContact CB-CG1 4.2Å; I473-V496 HydrophobicContact CB-CG2 4.46Å; I473-V496 HydrophobicContact CD1-CG2 4.19Å; I473-V496 HydrophobicContact CG2-CG1 4.44Å; I473-V496 WeakPolarHBondContact O-CA 3.36Å; I473-H497 PolarHBondContact O-N 3.35Å; I473-R501 WeakPolarHBondContact CG2-O 3.05Å
474	K	97.9	Very high	96.8	Very high	24 Å²	24	30.6 Å²	30.6	10%	0.104	14%	0.142	C	C	.	.			trans	-141.1	170.4	179.2	76.1	178.1	-70.2	172.4	0	113.9	F449 V450 F451 Y476 G477 H497 E498	F449-K474 HydrophobicContact CE2-CD 3.56Å; F449-K474 HydrophobicContact CE2-CG 3.64Å; F449-K474 HydrophobicContact CZ-CD 3.43Å; F449-K474 VanDerWaalsContact CZ-CD 3.43Å; F449-K474 HydrophobicContact CZ-CG 4.04Å; V450-K474 PolarHBondContact O-N 3.08Å; F451-K474 VanDerWaalsContact CA-O 3.27Å; F451-K474 WeakPolarHBondContact CA-O 3.27Å; F451-K474 HydrophobicContact CB-CD 4.27Å; F451-K474 HydrophobicContact CB-CG 3.49Å; F451-K474 VanDerWaalsContact CB-CG 3.49Å; K474-Y476 PolarHBondContact O-N 3.2Å; K474-G477 WeakPolarHBondContact O-CA 3.4Å; K474-G477 PolarHBondContact O-N 3.02Å; K474-H497 VanDerWaalsContact CA-O 3.25Å; K474-H497 WeakPolarHBondContact CA-O 3.07Å; K474-E498 HydrophobicContact CB-CB 4.27Å; K474-E498 VanDerWaalsContact CE-OE1 3.23Å; K474-E498 WeakPolarHBondContact CE-OE1 3.23Å; K474-E498 WeakPolarHBondContact CE-OE2 3.43Å; K474-E498 VanDerWaalsContact NZ-CD 3.29Å; K474-E498 IonicContact NZ-OE1 3.84Å; K474-E498 PolarHBondContact NZ-OE1 3.31Å; K474-E498 IonicContact NZ-OE2 3.34Å; K474-E498 PolarHBondContact NZ-OE2 3.13Å
475	Q	97.7	Very high	96.8	Very high	39 Å²	39	30 Å²	30	18%	0.182	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	57.8	171.4	-65.3	175.6	-13.5	0	0	112.8	L337 D452 H453 G477 E498	L337-Q475 VanDerWaalsContact CD1-NE2 3.28Å; D452-Q475 WeakPolarHBondContact CA-O 3.11Å; D452-Q475 PolarHBondContact N-O 3.26Å; H453-Q475 PolarHBondContact N-O 3.34Å; Q475-G477 PolarHBondContact O-N 3.49Å; Q475-G477 VanDerWaalsContact O-N 3.1Å; Q475-E498 VanDerWaalsContact CA-O 3.23Å; Q475-E498 WeakPolarHBondContact CA-O 3.17Å; Q475-E498 HydrophobicContact CG-CB 4.31Å; Q475-E498 WeakPolarHBondContact CG-OE2 3.38Å; Q475-E498 PolarHBondContact N-O 2.86Å; Q475-E498 PolarHBondContact NE2-OE2 3.37Å; Q475-E498 VanDerWaalsContact NE2-OE2 3.11Å
476	Y	98.4	Very high	97	Very high	103 Å²	103	28.9 Å²	28.9	40%	0.404	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	11.7	-177.8	-50.7	-82.5	0	0	0	115.5	H453 K474 N478 Y499	H453-Y476 AromaticContact CE1-CD2 3.85Å; H453-Y476 AromaticContact NE2-CD2 3.59Å; H453-Y476 AromaticContact NE2-CG 3.84Å; K474-Y476 PolarHBondContact O-N 3.2Å; Y476-N478 PolarHBondContact O-N 3.15Å; Y476-Y499 HydrophobicContact CE1-CD1 4.48Å; Y476-Y499 HydrophobicContact CE1-CG 4.01Å
477	G	98.6	Very high	97.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.141	C	C	.	.			trans	-51.9	134.8	168.6	0	0	0	0	0	110.9	G454 I473 K474 Q475 R501	G454-G477 CarbonylContact O-C 3.54Å; G454-G477 WeakPolarHBondContact O-CA 3.41Å; I473-G477 WeakPolarHBondContact CG2-O 3.24Å; K474-G477 WeakPolarHBondContact O-CA 3.4Å; K474-G477 PolarHBondContact O-N 3.02Å; Q475-G477 PolarHBondContact O-N 3.49Å; Q475-G477 VanDerWaalsContact O-N 3.1Å; G477-R501 PolarHBondContact O-N 2.98Å
478	N	98.6	Very high	97.2	Very high	38 Å²	38	28.3 Å²	28.3	20%	0.203	14%	0.14	C	C	.	.			trans	-146.1	68.8	-173	-174.1	25.5	0	0	0	111.5	G454 H455 Y476 R501 G502	G454-N478 PolarHBondContact O-N 3.3Å; H455-N478 PolarHBondContact ND1-O 3.11Å; Y476-N478 PolarHBondContact O-N 3.15Å; N478-R501 HydrophobicContact CB-CB 4.06Å; N478-G502 VanDerWaalsContact OD1-CA 3.32Å; N478-G502 WeakPolarHBondContact OD1-CA 3.3Å; N478-G502 PolarHBondContact OD1-N 2.76Å
479	P	98.6	Very high	97	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.126	C	C	.	.			trans	-78.9	161.2	176.2	33.8	-35	0	0	0	112.2	V450 G456 F458 I473 I481 G502 H503	V450-P479 HydrophobicContact CB-CG 4.23Å; V450-P479 HydrophobicContact CG1-CB 4.29Å; V450-P479 HydrophobicContact CG1-CG 4.25Å; V450-P479 HydrophobicContact CG2-CB 4.08Å; V450-P479 HydrophobicContact CG2-CG 4.09Å; G456-P479 CarbonylContact O-C 3.51Å; G456-P479 WeakPolarHBondContact O-CA 3.24Å; F458-P479 HydrophobicContact CD2-CB 4.22Å; F458-P479 HydrophobicContact CE2-CB 3.98Å; I473-P479 HydrophobicContact CD1-CG 3.49Å; I473-P479 VanDerWaalsContact CD1-CG 3.49Å; I473-P479 HydrophobicContact CG1-CG 3.87Å; I473-P479 HydrophobicContact CG2-CG 4.49Å; P479-I481 HydrophobicContact CB-CG1 4.28Å; P479-I481 HydrophobicContact CG-CD1 4.18Å; P479-I481 HydrophobicContact CG-CG1 4.35Å; P479-G502 CarbonylContact O-C 3.57Å; P479-G502 WeakPolarHBondContact O-CA 3.15Å; P479-H503 PolarHBondContact O-N 2.79Å
480	T	98.8	Very high	96.8	Very high	44 Å²	44	30.2 Å²	30.2	27%	0.27	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120	164.2	-58.5	0	0	0	0	108.8	G456 Y457 F458 H503	G456-T480 PolarHBondContact O-N 2.74Å; Y457-T480 WeakPolarHBondContact CA-O 3.45Å; Y457-T480 HydrophobicContact CD2-CG2 3.71Å; Y457-T480 HydrophobicContact CE2-CG2 3.8Å; F458-T480 PolarHBondContact N-O 3.35Å; T480-H503 CarbonylContact C-O 3.53Å; T480-H503 WeakPolarHBondContact CA-O 3.5Å; T480-H503 HydrophobicContact CG2-CB 4.32Å
481	I	98.8	Very high	96.6	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	112.2	-176.1	-55.1	174.3	0	0	0	107.8	F458 V471 I473 P479 C484 H503 S505 N507	F458-I481 HydrophobicContact CD2-CG1 4.31Å; V471-I481 HydrophobicContact CB-CD1 4.45Å; V471-I481 HydrophobicContact CG1-CD1 3.71Å; V471-I481 HydrophobicContact CG2-CD1 4.22Å; I473-I481 HydrophobicContact CD1-CD1 4.46Å; P479-I481 HydrophobicContact CB-CG1 4.28Å; P479-I481 HydrophobicContact CG-CD1 4.18Å; P479-I481 HydrophobicContact CG-CG1 4.35Å; I481-C484 HydrophobicContact CG2-CB 4.05Å; I481-H503 PolarHBondContact N-O 3.19Å; I481-S505 PolarHBondContact O-N 2.72Å; I481-N507 PolarHBondContact O-ND2 2.79Å
482	V	98.8	Very high	96	Very high	7 Å²	7	31.2 Å²	31.2	4%	0.042	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	131.4	-169	61.1	0	0	0	0	113.4	Y457 F458 E459 K460 C484 S505	Y457-V482 HydrophobicContact CE1-CG1 4.19Å; Y457-V482 HydrophobicContact CE2-CG1 3.98Å; Y457-V482 WeakPolarHBondContact OH-CG1 3.29Å; F458-V482 PolarHBondContact O-N 2.9Å; E459-V482 VanDerWaalsContact CA-O 3.28Å; E459-V482 WeakPolarHBondContact CA-O 3.27Å; E459-V482 HydrophobicContact CB-CG1 3.99Å; E459-V482 HydrophobicContact CG-CG1 4.3Å; K460-V482 PolarHBondContact N-O 2.85Å; K460-V482 VanDerWaalsContact N-O 3.07Å; V482-C484 PolarHBondContact O-N 2.94Å; V482-C484 VanDerWaalsContact O-N 3.1Å; V482-S505 VanDerWaalsContact CA-O 3.23Å; V482-S505 WeakPolarHBondContact CA-O 3.48Å
483	R	98.8	Very high	95.9	Very high	104 Å²	104	30.1 Å²	30.1	39%	0.392	15%	0.152	S	C	.	.	S	Bend	trans	56.5	24.3	178.5	-61.5	169.3	-166.5	119.2	13.5	114.1	E459 K460 S505 E506 N507	E459-R483 IonicContact OE1-NH1 3.5Å; E459-R483 PolarHBondContact OE1-NH1 2.87Å; K460-R483 VanDerWaalsContact CA-O 3.32Å; K460-R483 WeakPolarHBondContact CA-O 3.48Å; K460-R483 HydrophobicContact CG-CB 4.02Å; R483-S505 PolarHBondContact N-O 3.44Å; R483-E506 VanDerWaalsContact CA-O 3.3Å; R483-E506 WeakPolarHBondContact CA-O 3.34Å; R483-E506 HydrophobicContact CG-CB 3.92Å; R483-E506 IonicContact CZ-OE2 3.69Å; R483-E506 VanDerWaalsContact CZ-OE2 3.22Å; R483-E506 IonicContact NE-OE2 3.54Å; R483-E506 PolarHBondContact NE-OE2 2.92Å; R483-E506 IonicContact NH2-OE1 3.07Å; R483-E506 PolarHBondContact NH2-OE1 2.54Å; R483-E506 IonicContact NH2-OE2 2.7Å; R483-E506 PolarHBondContact NH2-OE2 3.11Å; R483-N507 PolarHBondContact N-OD1 3.07Å; R483-N507 VanDerWaalsContact N-OD1 3.17Å
484	C	98.7	Very high	95.8	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.007	15%	0.152	C	C	.	.			trans	-83.9	157	175.6	-62.8	0	0	0	0	111	F458 C461 I481 V482 N507 K508	F458-C484 PolarHBondContact O-SG 3.2Å; C461-C484 PolarHBondContact N-SG 2.7Å; C461-C484 CarbonylContact O-C 3.47Å; C461-C484 WeakPolarHBondContact O-CA 3.37Å; C461-C484 VanDerWaalsContact O-CB 3.27Å; C461-C484 WeakPolarHBondContact O-CB 3.29Å; I481-C484 HydrophobicContact CG2-CB 4.05Å; V482-C484 PolarHBondContact O-N 2.94Å; V482-C484 VanDerWaalsContact O-N 3.1Å; C484-N507 WeakPolarHBondContact CB-OD1 3.3Å; C484-N507 PolarHBondContact N-OD1 2.68Å; C484-N507 VanDerWaalsContact O-CA 3.29Å; C484-N507 WeakPolarHBondContact O-CA 3.01Å; C484-N507 WeakPolarHBondContact O-CB 3.47Å; C484-K508 PolarHBondContact O-N 3.36Å
485	T	98.5	Very high	95.8	Very high	48 Å²	48	31.3 Å²	31.3	29%	0.294	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123.2	168.3	-49.8	0	0	0	0	107.7	C461 N462 I463 K508	C461-T485 PolarHBondContact O-N 2.7Å; N462-T485 WeakPolarHBondContact CA-O 3.27Å; N462-T485 PolarHBondContact OD1-O 3.16Å; I463-T485 PolarHBondContact N-O 3.19Å; T485-K508 CarbonylContact C-O 3.54Å; T485-K508 WeakPolarHBondContact CA-O 3.38Å; T485-K508 HydrophobicContact CG2-CB 4.2Å
486	I	97.9	Very high	95.8	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	109.1	-178.5	-56.6	168.3	0	0	0	107.9	I463 V471 I494 K508 I509 C510	I463-I486 HydrophobicContact CB-CG1 4.37Å; I463-I486 HydrophobicContact CD1-CG1 4.49Å; I463-I486 VanDerWaalsContact O-CA 3.32Å; I463-I486 WeakPolarHBondContact O-CA 3.04Å; V471-I486 HydrophobicContact CG2-CD1 3.89Å; I486-I494 HydrophobicContact CD1-CD1 3.68Å; I486-I494 HydrophobicContact CD1-CG1 3.7Å; I486-K508 PolarHBondContact N-O 3.25Å; I486-I509 HydrophobicContact CB-CG1 4.45Å; I486-I509 HydrophobicContact CD1-CG1 4.48Å; I486-I509 VanDerWaalsContact O-CA 3.31Å; I486-I509 WeakPolarHBondContact O-CA 3.32Å; I486-C510 PolarHBondContact O-N 3.09Å
487	H	96.6	Very high	95.8	Very high	40 Å²	40	25 Å²	25	19%	0.185	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	164.2	-169.4	69	93	0	0	0	115	N462 I463 Y464 G489 C510	N462-H487 PolarHBondContact OD1-CD2 2.86Å; N462-H487 PolarHBondContact OD1-NE2 3.27Å; N462-H487 VanDerWaalsContact OD1-NE2 3.13Å; I463-H487 PolarHBondContact O-N 2.87Å; Y464-H487 WeakPolarHBondContact CA-O 3.36Å; Y464-H487 WeakPolarHBondContact CB-CE1 3.27Å; Y464-H487 WeakPolarHBondContact CB-NE2 3.33Å; Y464-H487 WeakPolarHBondContact CB-O 3.41Å; Y464-H487 AromaticContact CD1-NE2 3.7Å; Y464-H487 AromaticContact CG-CE1 3.63Å; Y464-H487 AromaticContact CG-NE2 3.71Å; H487-G489 PolarHBondContact O-N 2.96Å; H487-C510 WeakPolarHBondContact CA-O 3.18Å; H487-C510 VanDerWaalsContact CB-O 3.3Å; H487-C510 WeakPolarHBondContact CB-O 3.48Å
488	S	92.6	Very high	95.8	Very high	56 Å²	56	27.3 Å²	27.3	39%	0.392	14%	0.141	S	C	.	.			trans	55.9	29.9	171.1	-47.3	0	0	0	0	114.3	G465 C510 D511 N512	G465-S488 WeakPolarHBondContact CA-O 3.41Å; G465-S488 PolarHBondContact N-O 2.94Å; S488-C510 PolarHBondContact N-O 2.87Å; S488-D511 WeakPolarHBondContact CA-O 3.23Å; S488-D511 PolarHBondContact N-O 2.82Å; S488-N512 PolarHBondContact N-OD1 3.27Å
489	G	87	Confident	95.8	Very high	3 Å²	3	30.1 Å²	30.1	3%	0.031	15%	0.149	C	C	.	.			trans	-77.6	146.4	171.1	0	0	0	0	0	111.7	H487 T491 N512 N513	H487-G489 PolarHBondContact O-N 2.96Å; G489-T491 VanDerWaalsContact C-N 3.26Å; G489-T491 PolarHBondContact O-N 2.97Å; G489-N512 PolarHBondContact N-OD1 2.89Å; G489-N513 PolarHBondContact O-N 2.88Å
490	L	87	Confident	95.7	Very high	100 Å²	100	30.1 Å²	30.1	52%	0.524	15%	0.149	S	C	.	.	S	Bend	trans	-75.8	-14.3	177	-64.1	-178.2	0	0	0	113.2	N466 R467 N513 F514	N466-L490 PolarHBondContact O-N 3.06Å; R467-L490 HydrophobicContact CB-CD1 4.32Å; R467-L490 HydrophobicContact CG-CD1 4.14Å; R467-L490 WeakPolarHBondContact O-CB 3.26Å; L490-N513 WeakPolarHBondContact O-CB 3.3Å; L490-N513 PolarHBondContact O-ND2 2.86Å; L490-N513 VanDerWaalsContact O-ND2 3.09Å; L490-F514 WeakPolarHBondContact O-CD2 3.43Å; L490-F514 WeakPolarHBondContact O-CE2 3.44Å
491	T	90.7	Very high	95.7	Very high	24 Å²	24	34.2 Å²	34.2	15%	0.147	16%	0.16	C	C	.	.	S	Bend	trans	-116.6	-136.1	169.5	73.3	0	0	0	0	112	I468 S469 G489 N513 F514	I468-T491 WeakPolarHBondContact CA-OG1 3.39Å; I468-T491 HydrophobicContact CG2-CG2 4.3Å; I468-T491 PolarHBondContact O-N 3.18Å; I468-T491 PolarHBondContact O-OG1 3.3Å; S469-T491 WeakPolarHBondContact CA-OG1 3.45Å; S469-T491 PolarHBondContact N-OG1 2.82Å; S469-T491 VanDerWaalsContact N-OG1 3.12Å; S469-T491 PolarHBondContact OG-OG1 3.34Å; S469-T491 VanDerWaalsContact OG-OG1 3.05Å; G489-T491 VanDerWaalsContact C-N 3.26Å; G489-T491 PolarHBondContact O-N 2.97Å; T491-N513 PolarHBondContact O-N 3.06Å; T491-F514 PolarHBondContact O-N 2.9Å
492	G	86.6	Confident	95.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.16	C	C	.	.			trans	-81.4	159.9	177.3	0	0	0	0	0	112.8	S469 G470 A515	S469-G492 WeakPolarHBondContact CA-O 3.26Å; S469-G492 WeakPolarHBondContact CB-O 3.39Å; S469-G492 PolarHBondContact OG-O 3.23Å; G470-G492 PolarHBondContact N-O 3.5Å; G492-A515 CarbonylContact C-O 3.5Å; G492-A515 WeakPolarHBondContact CA-O 3.3Å
493	G	94.8	Very high	95.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-68.4	-56.4	177	0	0	0	0	0	111.8	G470 V471 A515 G516	G470-G493 WeakPolarHBondContact CA-O 3.19Å; G470-G493 PolarHBondContact N-O 3.09Å; G470-G493 VanDerWaalsContact N-O 3.07Å; V471-G493 PolarHBondContact N-O 3.46Å; G493-A515 PolarHBondContact N-O 2.81Å; G493-G516 CarbonylContact C-O 3.59Å; G493-G516 WeakPolarHBondContact CA-O 3.12Å; G493-G516 PolarHBondContact N-O 2.98Å
494	I	97.5	Very high	95.6	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127	177	-54.5	178.5	0	0	0	109.5	V471 I473 I486 V496 I504 I509 G516 I517 W518	V471-I494 HydrophobicContact CB-CB 4.46Å; V471-I494 HydrophobicContact CB-CG1 4.16Å; V471-I494 HydrophobicContact CB-CG2 4.2Å; V471-I494 HydrophobicContact CG1-CG2 4.38Å; V471-I494 HydrophobicContact CG2-CG1 4.4Å; V471-I494 CarbonylContact O-C 3.57Å; V471-I494 VanDerWaalsContact O-CA 3.32Å; V471-I494 WeakPolarHBondContact O-CA 3.24Å; I473-I494 HydrophobicContact CD1-CG2 4.35Å; I486-I494 HydrophobicContact CD1-CD1 3.68Å; I486-I494 HydrophobicContact CD1-CG1 3.7Å; I494-V496 HydrophobicContact CG2-CG2 3.95Å; I494-I504 HydrophobicContact CD1-CD1 4.02Å; I494-I504 HydrophobicContact CD1-CG1 4.23Å; I494-I504 HydrophobicContact CD1-CG2 3.63Å; I494-I504 HydrophobicContact CG2-CD1 4.02Å; I494-I509 HydrophobicContact CD1-CD1 3.7Å; I494-I509 HydrophobicContact CG1-CD1 4.29Å; I494-G516 PolarHBondContact N-O 3.36Å; I494-I517 HydrophobicContact CB-CG1 4.26Å; I494-I517 HydrophobicContact CB-CG2 4.3Å; I494-I517 HydrophobicContact CD1-CG1 4.45Å; I494-I517 CarbonylContact O-C 3.5Å; I494-I517 VanDerWaalsContact O-CA 3.3Å; I494-I517 WeakPolarHBondContact O-CA 3.47Å; I494-W518 PolarHBondContact O-N 3.09Å
495	Y	97.1	Very high	95.6	Very high	49 Å²	49	34.3 Å²	34.3	19%	0.192	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115.1	176.9	-176.7	-150.9	0	0	0	111.6	V471 E472 I473 H497 W518 T520	V471-Y495 PolarHBondContact O-N 2.92Å; E472-Y495 CarbonylContact C-O 3.54Å; E472-Y495 WeakPolarHBondContact CA-O 3.39Å; E472-Y495 HydrophobicContact CG-CD1 4.08Å; I473-Y495 PolarHBondContact N-O 2.92Å; Y495-H497 AromaticContact CD1-CD2 3.51Å; Y495-H497 AromaticContact CD1-NE2 3.91Å; Y495-H497 HydrophobicContact CD2-CB 4.48Å; Y495-H497 HydrophobicContact CE1-CB 4.44Å; Y495-H497 AromaticContact CE1-CD2 3.3Å; Y495-H497 WeakPolarHBondContact CE1-CD2 3.46Å; Y495-H497 AromaticContact CE1-CG 3.92Å; Y495-H497 AromaticContact CE1-NE2 3.63Å; Y495-H497 HydrophobicContact CE2-CB 3.88Å; Y495-H497 AromaticContact CG-CD2 3.95Å; Y495-H497 AromaticContact CZ-CD2 3.59Å; Y495-H497 AromaticContact CZ-CG 3.78Å; Y495-W518 HydrophobicContact CD2-CB 3.47Å; Y495-W518 VanDerWaalsContact CD2-CB 3.47Å; Y495-W518 HydrophobicContact CD2-CD2 4.42Å; Y495-W518 AromaticContact CD2-CE3 3.9Å; Y495-W518 HydrophobicContact CD2-CE3 3.9Å; Y495-W518 HydrophobicContact CD2-CG 4.33Å; Y495-W518 HydrophobicContact CE2-CB 4.07Å; Y495-W518 HydrophobicContact CE2-CE3 4.22Å; Y495-W518 HydrophobicContact CG-CB 4.39Å; Y495-W518 HydrophobicContact CG-CE3 4.11Å; Y495-T520 HydrophobicContact CE2-CG2 3.63Å
496	V	98.3	Very high	95.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	114.1	-179.6	-164.6	0	0	0	0	109.6	I473 I494 G500 W518 I519 T520 S523 P525	I473-V496 HydrophobicContact CB-CG1 4.2Å; I473-V496 HydrophobicContact CB-CG2 4.46Å; I473-V496 HydrophobicContact CD1-CG2 4.19Å; I473-V496 HydrophobicContact CG2-CG1 4.44Å; I473-V496 WeakPolarHBondContact O-CA 3.36Å; I494-V496 HydrophobicContact CG2-CG2 3.95Å; V496-G500 VanDerWaalsContact CG1-C 3.5Å; V496-W518 PolarHBondContact N-O 2.9Å; V496-I519 CarbonylContact O-C 3.5Å; V496-I519 WeakPolarHBondContact O-CA 3.5Å; V496-T520 PolarHBondContact O-N 3.07Å; V496-S523 PolarHBondContact O-OG 3.01Å; V496-P525 HydrophobicContact CB-CG 4.45Å; V496-P525 HydrophobicContact CG1-CB 4.31Å; V496-P525 HydrophobicContact CG1-CG 4.27Å; V496-P525 HydrophobicContact CG2-CB 4.39Å; V496-P525 HydrophobicContact CG2-CG 4.3Å
497	H	97.8	Very high	95.7	Very high	9 Å²	9	36.1 Å²	36.1	4%	0.042	17%	0.172	C	C	.	.			trans	-144.1	177.9	-177.1	70.3	101.2	0	0	0	112.7	E472 I473 K474 Y495 Y499 G500 T520 M521 S523	E472-H497 IonicContact OE1-CD2 3.28Å; E472-H497 IonicContact OE1-CE1 3.58Å; E472-H497 IonicContact OE1-NE2 2.74Å; E472-H497 PolarHBondContact OE1-NE2 2.93Å; I473-H497 PolarHBondContact O-N 3.35Å; K474-H497 VanDerWaalsContact CA-O 3.25Å; K474-H497 WeakPolarHBondContact CA-O 3.07Å; Y495-H497 AromaticContact CD1-CD2 3.51Å; Y495-H497 AromaticContact CD1-NE2 3.91Å; Y495-H497 HydrophobicContact CD2-CB 4.48Å; Y495-H497 HydrophobicContact CE1-CB 4.44Å; Y495-H497 AromaticContact CE1-CD2 3.3Å; Y495-H497 WeakPolarHBondContact CE1-CD2 3.46Å; Y495-H497 AromaticContact CE1-CG 3.92Å; Y495-H497 AromaticContact CE1-NE2 3.63Å; Y495-H497 HydrophobicContact CE2-CB 3.88Å; Y495-H497 AromaticContact CG-CD2 3.95Å; Y495-H497 AromaticContact CZ-CD2 3.59Å; Y495-H497 AromaticContact CZ-CG 3.78Å; H497-Y499 PolarHBondContact O-N 3.49Å; H497-G500 WeakPolarHBondContact O-CA 3.1Å; H497-G500 PolarHBondContact O-N 2.93Å; H497-T520 WeakPolarHBondContact CA-O 3.32Å; H497-T520 HydrophobicContact CB-CG2 3.46Å; H497-T520 VanDerWaalsContact CB-CG2 3.46Å; H497-M521 HydrophobicContact CB-SD 4.2Å; H497-S523 WeakPolarHBondContact CA-OG 3.43Å; H497-S523 PolarHBondContact N-OG 2.96Å; H497-S523 PolarHBondContact O-OG 2.81Å
498	E	97.7	Very high	95.8	Very high	48 Å²	48	39.7 Å²	39.7	22%	0.224	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	41.1	62.9	-177.6	-67	175	-146.3	0	0	114.5	K474 Q475 G500 M521	K474-E498 HydrophobicContact CB-CB 4.27Å; K474-E498 VanDerWaalsContact CE-OE1 3.23Å; K474-E498 WeakPolarHBondContact CE-OE1 3.23Å; K474-E498 WeakPolarHBondContact CE-OE2 3.43Å; K474-E498 VanDerWaalsContact NZ-CD 3.29Å; K474-E498 IonicContact NZ-OE1 3.84Å; K474-E498 PolarHBondContact NZ-OE1 3.31Å; K474-E498 IonicContact NZ-OE2 3.34Å; K474-E498 PolarHBondContact NZ-OE2 3.13Å; Q475-E498 VanDerWaalsContact CA-O 3.23Å; Q475-E498 WeakPolarHBondContact CA-O 3.17Å; Q475-E498 HydrophobicContact CG-CB 4.31Å; Q475-E498 WeakPolarHBondContact CG-OE2 3.38Å; Q475-E498 PolarHBondContact N-O 2.86Å; Q475-E498 PolarHBondContact NE2-OE2 3.37Å; Q475-E498 VanDerWaalsContact NE2-OE2 3.11Å; E498-G500 PolarHBondContact O-N 3.37Å; E498-M521 HydrophobicContact CG-CE 3.41Å; E498-M521 VanDerWaalsContact CG-CE 3.41Å; E498-M521 HydrophobicContact CG-SD 3.76Å
499	Y	98.4	Very high	96	Very high	98 Å²	98	37 Å²	37	38%	0.384	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	19.1	-177.3	-50.4	-84.6	0	0	0	115.1	Y476 H497 M521 R522	Y476-Y499 HydrophobicContact CE1-CD1 4.48Å; Y476-Y499 HydrophobicContact CE1-CG 4.01Å; H497-Y499 PolarHBondContact O-N 3.49Å; Y499-M521 PolarHBondContact N-O 3.48Å; Y499-R522 HydrophobicContact CD1-CB 3.91Å; Y499-R522 HydrophobicContact CE1-CB 3.72Å; Y499-R522 HydrophobicContact CE1-CG 4.35Å; Y499-R522 PolarHBondContact OH-NH1 3.29Å
500	G	98.4	Very high	96.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.171	C	C	.	.			trans	-57.2	146.1	173.3	0	0	0	0	0	112	V496 H497 E498 S523 N524	V496-G500 VanDerWaalsContact CG1-C 3.5Å; H497-G500 WeakPolarHBondContact O-CA 3.1Å; H497-G500 PolarHBondContact O-N 2.93Å; E498-G500 PolarHBondContact O-N 3.37Å; G500-S523 PolarHBondContact N-OG 2.7Å; G500-S523 CarbonylContact O-C 3.55Å; G500-S523 VanDerWaalsContact O-CA 3.29Å; G500-S523 WeakPolarHBondContact O-CA 3.04Å; G500-S523 VanDerWaalsContact O-CB 3.27Å; G500-S523 WeakPolarHBondContact O-CB 3.32Å; G500-N524 PolarHBondContact O-N 2.78Å
501	R	98	Very high	96.8	Very high	130 Å²	130	36.4 Å²	36.4	49%	0.491	17%	0.166	S	C	.	.			trans	-123.5	-146.3	176.5	-62.5	-175.1	178.8	-178.5	0.3	108.7	I473 G477 N478	I473-R501 WeakPolarHBondContact CG2-O 3.05Å; G477-R501 PolarHBondContact O-N 2.98Å; N478-R501 HydrophobicContact CB-CB 4.06Å
502	G	97.1	Very high	96.9	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.01	16%	0.16	C	C	.	.			trans	124.2	150.3	176.5	0	0	0	0	0	112.7	N478 P479 T526	N478-G502 VanDerWaalsContact OD1-CA 3.32Å; N478-G502 WeakPolarHBondContact OD1-CA 3.3Å; N478-G502 PolarHBondContact OD1-N 2.76Å; P479-G502 CarbonylContact O-C 3.57Å; P479-G502 WeakPolarHBondContact O-CA 3.15Å; G502-T526 PolarHBondContact O-N 3.1Å
503	H	98.6	Very high	97.2	Very high	84 Å²	84	38 Å²	38	39%	0.389	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	103.9	173.9	-62.5	77.6	0	0	0	108	P479 T480 I481	P479-H503 PolarHBondContact O-N 2.79Å; T480-H503 CarbonylContact C-O 3.53Å; T480-H503 WeakPolarHBondContact CA-O 3.5Å; T480-H503 HydrophobicContact CG2-CB 4.32Å; I481-H503 PolarHBondContact N-O 3.19Å
504	I	98.7	Very high	97	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	103.2	-174.5	-59.7	159	0	0	0	107.1	I494 N507 I517 P525 T526 I527 R528 N530	I494-I504 HydrophobicContact CD1-CD1 4.02Å; I494-I504 HydrophobicContact CD1-CG1 4.23Å; I494-I504 HydrophobicContact CD1-CG2 3.63Å; I494-I504 HydrophobicContact CG2-CD1 4.02Å; I504-N507 WeakPolarHBondContact CG2-ND2 3.42Å; I504-I517 HydrophobicContact CG2-CD1 4.49Å; I504-P525 HydrophobicContact CD1-CB 4.46Å; I504-T526 PolarHBondContact N-O 3.35Å; I504-I527 HydrophobicContact CB-CG1 4.46Å; I504-I527 HydrophobicContact CD1-CG1 4.15Å; I504-I527 CarbonylContact O-C 3.58Å; I504-I527 WeakPolarHBondContact O-CA 3.32Å; I504-R528 PolarHBondContact O-N 3.06Å; I504-N530 PolarHBondContact O-ND2 3.01Å
505	S	98.6	Very high	96.8	Very high	29 Å²	29	39.8 Å²	39.8	20%	0.203	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	144.4	-173.3	59.5	0	0	0	0	116.6	I481 V482 R483 N507 R528	I481-S505 PolarHBondContact O-N 2.72Å; V482-S505 VanDerWaalsContact CA-O 3.23Å; V482-S505 WeakPolarHBondContact CA-O 3.48Å; R483-S505 PolarHBondContact N-O 3.44Å; S505-N507 PolarHBondContact N-ND2 2.71Å; S505-N507 PolarHBondContact O-N 2.83Å; S505-N507 VanDerWaalsContact O-N 3.17Å; S505-N507 PolarHBondContact O-ND2 2.86Å; S505-N507 VanDerWaalsContact O-ND2 3.08Å; S505-R528 CarbonylContact C-O 3.57Å; S505-R528 WeakPolarHBondContact CA-O 3.36Å
506	E	98.8	Very high	96.7	Very high	85 Å²	85	37.6 Å²	37.6	40%	0.397	17%	0.174	S	C	.	.	S	Bend	trans	59.8	23.1	174.3	-57.5	174.7	-151.7	0	0	114.4	R483 R528 N529 N530	R483-E506 VanDerWaalsContact CA-O 3.3Å; R483-E506 WeakPolarHBondContact CA-O 3.34Å; R483-E506 HydrophobicContact CG-CB 3.92Å; R483-E506 IonicContact CZ-OE2 3.69Å; R483-E506 VanDerWaalsContact CZ-OE2 3.22Å; R483-E506 IonicContact NE-OE2 3.54Å; R483-E506 PolarHBondContact NE-OE2 2.92Å; R483-E506 IonicContact NH2-OE1 3.07Å; R483-E506 PolarHBondContact NH2-OE1 2.54Å; R483-E506 IonicContact NH2-OE2 2.7Å; R483-E506 PolarHBondContact NH2-OE2 3.11Å; E506-R528 PolarHBondContact N-O 3.31Å; E506-R528 VanDerWaalsContact N-O 3.09Å; E506-N529 VanDerWaalsContact CA-O 3.27Å; E506-N529 WeakPolarHBondContact CA-O 3.31Å; E506-N529 HydrophobicContact CG-CB 4.29Å; E506-N529 PolarHBondContact N-O 2.96Å; E506-N530 PolarHBondContact N-OD1 3.17Å
507	N	98.7	Very high	96.7	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	17%	0.174	C	C	.	.			trans	-92.1	158.7	-177.9	-53.8	-71.7	0	0	0	112.4	I481 R483 C484 I504 S505 I509 N530 K531	I481-N507 PolarHBondContact O-ND2 2.79Å; R483-N507 PolarHBondContact N-OD1 3.07Å; R483-N507 VanDerWaalsContact N-OD1 3.17Å; C484-N507 WeakPolarHBondContact CB-OD1 3.3Å; C484-N507 PolarHBondContact N-OD1 2.68Å; C484-N507 VanDerWaalsContact O-CA 3.29Å; C484-N507 WeakPolarHBondContact O-CA 3.01Å; C484-N507 WeakPolarHBondContact O-CB 3.47Å; I504-N507 WeakPolarHBondContact CG2-ND2 3.42Å; S505-N507 PolarHBondContact N-ND2 2.71Å; S505-N507 PolarHBondContact O-N 2.83Å; S505-N507 VanDerWaalsContact O-N 3.17Å; S505-N507 PolarHBondContact O-ND2 2.86Å; S505-N507 VanDerWaalsContact O-ND2 3.08Å; N507-I509 HydrophobicContact CB-CG1 4.33Å; N507-N530 VanDerWaalsContact CB-OD1 3.24Å; N507-N530 WeakPolarHBondContact CB-OD1 3.37Å; N507-N530 PolarHBondContact N-OD1 2.99Å; N507-N530 PolarHBondContact ND2-OD1 3.16Å; N507-N530 CarbonylContact O-C 3.45Å; N507-N530 WeakPolarHBondContact O-CA 3.47Å; N507-K531 PolarHBondContact O-N 3.06Å
508	K	98.6	Very high	96.6	Very high	115 Å²	115	39.1 Å²	39.1	50%	0.5	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	118.4	164.9	-66.5	179.4	-178	178.2	0	108.7	C484 T485 I486	C484-K508 PolarHBondContact O-N 3.36Å; T485-K508 CarbonylContact C-O 3.54Å; T485-K508 WeakPolarHBondContact CA-O 3.38Å; T485-K508 HydrophobicContact CG2-CB 4.2Å; I486-K508 PolarHBondContact N-O 3.25Å
509	I	98.1	Very high	96.7	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	107.2	-179.8	-54.7	172.3	0	0	0	107.7	I486 I494 N507 G516 I517 K531 I532 F533	I486-I509 HydrophobicContact CB-CG1 4.45Å; I486-I509 HydrophobicContact CD1-CG1 4.48Å; I486-I509 VanDerWaalsContact O-CA 3.31Å; I486-I509 WeakPolarHBondContact O-CA 3.32Å; I494-I509 HydrophobicContact CD1-CD1 3.7Å; I494-I509 HydrophobicContact CG1-CD1 4.29Å; N507-I509 HydrophobicContact CB-CG1 4.33Å; I509-G516 WeakPolarHBondContact CG2-O 3.34Å; I509-I517 HydrophobicContact CD1-CD1 3.69Å; I509-I517 HydrophobicContact CD1-CG1 3.77Å; I509-K531 PolarHBondContact N-O 2.87Å; I509-I532 HydrophobicContact CB-CG1 4.41Å; I509-I532 HydrophobicContact CB-CG2 4.47Å; I509-I532 HydrophobicContact CD1-CG1 4.38Å; I509-I532 VanDerWaalsContact O-CA 3.32Å; I509-I532 WeakPolarHBondContact O-CA 3.12Å; I509-F533 PolarHBondContact O-N 2.84Å
510	C	96.9	Very high	96.6	Very high	12 Å²	12	32.4 Å²	32.4	8%	0.081	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	162.1	-169.8	64.3	0	0	0	0	115.3	I486 H487 S488 N512 F533	I486-C510 PolarHBondContact O-N 3.09Å; H487-C510 WeakPolarHBondContact CA-O 3.18Å; H487-C510 VanDerWaalsContact CB-O 3.3Å; H487-C510 WeakPolarHBondContact CB-O 3.48Å; S488-C510 PolarHBondContact N-O 2.87Å; C510-N512 PolarHBondContact O-N 3.14Å; C510-N512 PolarHBondContact O-ND2 3.37Å; C510-F533 WeakPolarHBondContact CA-O 3.21Å; C510-F533 HydrophobicContact CB-CD1 3.99Å; C510-F533 HydrophobicContact CB-CD2 3.86Å; C510-F533 HydrophobicContact CB-CE1 3.66Å; C510-F533 HydrophobicContact CB-CE2 3.51Å; C510-F533 HydrophobicContact CB-CG 4.08Å; C510-F533 HydrophobicContact CB-CZ 3.4Å; C510-F533 VanDerWaalsContact CB-O 3.3Å; C510-F533 WeakPolarHBondContact CB-O 3.31Å
511	D	94.4	Very high	96.6	Very high	78 Å²	78	36.6 Å²	36.6	42%	0.417	17%	0.172	S	C	.	.	S	Bend	trans	55.4	27.6	170.2	-48.3	-57.9	0	0	0	114.2	S488 F533 N534	S488-D511 WeakPolarHBondContact CA-O 3.23Å; S488-D511 PolarHBondContact N-O 2.82Å; D511-F533 PolarHBondContact N-O 2.96Å; D511-N534 WeakPolarHBondContact CA-O 3.4Å; D511-N534 WeakPolarHBondContact OD1-CB 3.21Å
512	N	93	Very high	96.6	Very high	3 Å²	3	36 Å²	36	2%	0.016	17%	0.17	C	C	.	.			trans	-85.1	146.2	175.5	-62.9	-63.3	0	0	0	109.9	S488 G489 C510 F514 G535 R536	S488-N512 PolarHBondContact N-OD1 3.27Å; G489-N512 PolarHBondContact N-OD1 2.89Å; C510-N512 PolarHBondContact O-N 3.14Å; C510-N512 PolarHBondContact O-ND2 3.37Å; N512-F514 VanDerWaalsContact C-N 3.27Å; N512-F514 PolarHBondContact O-N 2.8Å; N512-G535 WeakPolarHBondContact O-CA 3.42Å; N512-R536 PolarHBondContact O-N 3.16Å
513	N	91.2	Very high	96.6	Very high	53 Å²	53	35.9 Å²	35.9	28%	0.283	17%	0.169	S	C	.	.	S	Bend	trans	-76.2	-14.6	-175	-173.8	60.9	0	0	0	113.3	G489 L490 T491 R536	G489-N513 PolarHBondContact O-N 2.88Å; L490-N513 WeakPolarHBondContact O-CB 3.3Å; L490-N513 PolarHBondContact O-ND2 2.86Å; L490-N513 VanDerWaalsContact O-ND2 3.09Å; T491-N513 PolarHBondContact O-N 3.06Å; N513-R536 WeakPolarHBondContact O-CB 3.5Å; N513-R536 WeakPolarHBondContact OD1-CD 3.41Å; N513-R536 PolarHBondContact OD1-NH1 3.01Å
514	F	91.9	Very high	96.6	Very high	39 Å²	39	35.8 Å²	35.8	17%	0.171	17%	0.171	C	C	.	.	S	Bend	trans	-122.2	-152.8	168.9	-69.2	-115.8	0	0	0	109.8	L490 T491 N512 W518 Q537	L490-F514 WeakPolarHBondContact O-CD2 3.43Å; L490-F514 WeakPolarHBondContact O-CE2 3.44Å; T491-F514 PolarHBondContact O-N 2.9Å; N512-F514 VanDerWaalsContact C-N 3.27Å; N512-F514 PolarHBondContact O-N 2.8Å; F514-W518 HydrophobicContact CB-CH2 3.85Å; F514-W518 HydrophobicContact CB-CZ2 3.57Å; F514-W518 AromaticContact CD1-CH2 3.51Å; F514-W518 HydrophobicContact CD1-CH2 3.51Å; F514-W518 AromaticContact CD1-CZ2 3.46Å; F514-W518 HydrophobicContact CD1-CZ2 3.46Å; F514-W518 VanDerWaalsContact CD1-CZ2 3.46Å; F514-W518 HydrophobicContact CE1-CH2 4.21Å; F514-W518 HydrophobicContact CE1-CZ2 4.44Å; F514-W518 AromaticContact CG-CH2 3.86Å; F514-W518 HydrophobicContact CG-CH2 3.86Å; F514-W518 AromaticContact CG-CZ2 3.89Å; F514-W518 HydrophobicContact CG-CZ2 3.89Å; F514-Q537 HydrophobicContact CB-CG 4.39Å; F514-Q537 VanDerWaalsContact CD1-CD 3.49Å
515	A	91.8	Very high	96.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.171	C	C	.	.			trans	-69.2	154.3	-175.3	0	0	0	0	0	111.8	G492 G493 W518 Q537 G538	G492-A515 CarbonylContact C-O 3.5Å; G492-A515 WeakPolarHBondContact CA-O 3.3Å; G493-A515 PolarHBondContact N-O 2.81Å; A515-W518 HydrophobicContact CB-CG 4.48Å; A515-Q537 HydrophobicContact CB-CB 4.35Å; A515-G538 WeakPolarHBondContact CA-O 3.42Å; A515-G538 WeakPolarHBondContact CB-O 3.49Å
516	G	96	Very high	96.6	Very high	2 Å²	2	35.7 Å²	35.7	2%	0.021	17%	0.17	C	C	.	.	S	Bend	trans	-59.4	-49.4	173.7	0	0	0	0	0	111.5	G493 I494 I509 G538 G539	G493-G516 CarbonylContact C-O 3.59Å; G493-G516 WeakPolarHBondContact CA-O 3.12Å; G493-G516 PolarHBondContact N-O 2.98Å; I494-G516 PolarHBondContact N-O 3.36Å; I509-G516 WeakPolarHBondContact CG2-O 3.34Å; G516-G538 PolarHBondContact N-O 2.96Å; G516-G538 VanDerWaalsContact N-O 3.17Å; G516-G539 CarbonylContact C-O 3.49Å; G516-G539 VanDerWaalsContact CA-O 3.26Å; G516-G539 WeakPolarHBondContact CA-O 3.11Å; G516-G539 PolarHBondContact N-O 2.84Å; G516-G539 VanDerWaalsContact N-O 3.09Å
517	I	97.7	Very high	96.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	132.1	177.2	-53.3	177	0	0	0	110.6	I494 I504 I509 I519 I527 I532 G539 V540 Y541	I494-I517 HydrophobicContact CB-CG1 4.26Å; I494-I517 HydrophobicContact CB-CG2 4.3Å; I494-I517 HydrophobicContact CD1-CG1 4.45Å; I494-I517 CarbonylContact O-C 3.5Å; I494-I517 VanDerWaalsContact O-CA 3.3Å; I494-I517 WeakPolarHBondContact O-CA 3.47Å; I504-I517 HydrophobicContact CG2-CD1 4.49Å; I509-I517 HydrophobicContact CD1-CD1 3.69Å; I509-I517 HydrophobicContact CD1-CG1 3.77Å; I517-I519 HydrophobicContact CG2-CG1 4.16Å; I517-I527 HydrophobicContact CB-CD1 4.49Å; I517-I527 HydrophobicContact CD1-CD1 3.79Å; I517-I527 HydrophobicContact CD1-CG1 4.1Å; I517-I527 HydrophobicContact CD1-CG2 3.67Å; I517-I527 HydrophobicContact CG2-CD1 3.86Å; I517-I532 HydrophobicContact CD1-CD1 3.77Å; I517-I532 HydrophobicContact CG1-CD1 4.26Å; I517-G539 PolarHBondContact N-O 3.05Å; I517-V540 HydrophobicContact CB-CG1 4.38Å; I517-V540 HydrophobicContact CB-CG2 4.4Å; I517-V540 CarbonylContact O-C 3.54Å; I517-V540 WeakPolarHBondContact O-CA 3.37Å; I517-Y541 PolarHBondContact O-N 3.14Å
518	W	96.7	Very high	96.6	Very high	41 Å²	41	35.6 Å²	35.6	16%	0.155	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	134.5	169.9	-79.1	-12.2	0	0	0	111.3	I494 Y495 V496 F514 A515 Y541 F543	I494-W518 PolarHBondContact O-N 3.09Å; Y495-W518 HydrophobicContact CD2-CB 3.47Å; Y495-W518 VanDerWaalsContact CD2-CB 3.47Å; Y495-W518 HydrophobicContact CD2-CD2 4.42Å; Y495-W518 AromaticContact CD2-CE3 3.9Å; Y495-W518 HydrophobicContact CD2-CE3 3.9Å; Y495-W518 HydrophobicContact CD2-CG 4.33Å; Y495-W518 HydrophobicContact CE2-CB 4.07Å; Y495-W518 HydrophobicContact CE2-CE3 4.22Å; Y495-W518 HydrophobicContact CG-CB 4.39Å; Y495-W518 HydrophobicContact CG-CE3 4.11Å; V496-W518 PolarHBondContact N-O 2.9Å; F514-W518 HydrophobicContact CB-CH2 3.85Å; F514-W518 HydrophobicContact CB-CZ2 3.57Å; F514-W518 AromaticContact CD1-CH2 3.51Å; F514-W518 HydrophobicContact CD1-CH2 3.51Å; F514-W518 AromaticContact CD1-CZ2 3.46Å; F514-W518 HydrophobicContact CD1-CZ2 3.46Å; F514-W518 VanDerWaalsContact CD1-CZ2 3.46Å; F514-W518 HydrophobicContact CE1-CH2 4.21Å; F514-W518 HydrophobicContact CE1-CZ2 4.44Å; F514-W518 AromaticContact CG-CH2 3.86Å; F514-W518 HydrophobicContact CG-CH2 3.86Å; F514-W518 AromaticContact CG-CZ2 3.89Å; F514-W518 HydrophobicContact CG-CZ2 3.89Å; A515-W518 HydrophobicContact CB-CG 4.48Å; W518-Y541 CarbonylContact C-O 3.55Å; W518-Y541 WeakPolarHBondContact CA-O 3.25Å; W518-Y541 AromaticContact NE1-CD1 3.69Å; W518-F543 HydrophobicContact CB-CE1 4.48Å; W518-F543 HydrophobicContact CG-CE1 4.41Å
519	I	98.1	Very high	96.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	118.8	175.5	-52	168.7	0	0	0	108.9	V496 I517 P525 I527 V540 Y541 I542 F543 R547	V496-I519 CarbonylContact O-C 3.5Å; V496-I519 WeakPolarHBondContact O-CA 3.5Å; I517-I519 HydrophobicContact CG2-CG1 4.16Å; I519-P525 HydrophobicContact CD1-CG 3.68Å; I519-P525 HydrophobicContact CG1-CG 3.83Å; I519-P525 HydrophobicContact CG2-CG 4.14Å; I519-I527 HydrophobicContact CD1-CD1 3.65Å; I519-I527 HydrophobicContact CG1-CD1 4.45Å; I519-V540 HydrophobicContact CD1-CG1 4.06Å; I519-Y541 PolarHBondContact N-O 3.06Å; I519-I542 HydrophobicContact CB-CG1 4.29Å; I519-I542 HydrophobicContact CB-CG2 4.19Å; I519-I542 HydrophobicContact CD1-CD1 4.23Å; I519-I542 HydrophobicContact CD1-CG1 3.93Å; I519-I542 HydrophobicContact CG1-CG1 4.46Å; I519-I542 HydrophobicContact CG2-CG2 4.45Å; I519-I542 CarbonylContact O-C 3.56Å; I519-I542 WeakPolarHBondContact O-CA 3.22Å; I519-F543 PolarHBondContact O-N 3.36Å; I519-R547 WeakPolarHBondContact CG2-O 3.07Å
520	T	97.9	Very high	96.7	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.031	17%	0.166	C	C	.	.			trans	-147.7	176.5	-179.6	-167.8	0	0	0	0	114	Y495 V496 H497 R522 S523 F543	Y495-T520 HydrophobicContact CE2-CG2 3.63Å; V496-T520 PolarHBondContact O-N 3.07Å; H497-T520 WeakPolarHBondContact CA-O 3.32Å; H497-T520 HydrophobicContact CB-CG2 3.46Å; H497-T520 VanDerWaalsContact CB-CG2 3.46Å; T520-R522 PolarHBondContact O-N 3.12Å; T520-S523 WeakPolarHBondContact O-CB 3.18Å; T520-S523 PolarHBondContact O-N 2.88Å; T520-S523 PolarHBondContact O-OG 2.94Å; T520-F543 VanDerWaalsContact CA-O 3.23Å; T520-F543 WeakPolarHBondContact CA-O 3.14Å; T520-F543 VanDerWaalsContact CB-CE2 3.5Å; T520-F543 HydrophobicContact CG2-CE1 4.29Å; T520-F543 HydrophobicContact CG2-CE2 3.91Å; T520-F543 HydrophobicContact CG2-CZ 3.73Å; T520-F543 WeakPolarHBondContact OG1-CD2 3.22Å; T520-F543 WeakPolarHBondContact OG1-CE2 3.37Å; T520-F543 PolarHBondContact OG1-O 3.41Å
521	M	97.3	Very high	96.8	Very high	89 Å²	89	38.7 Å²	38.7	44%	0.438	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	55.7	173.9	-62.6	173.9	81.3	0	0	112.2	H497 E498 Y499 S523 G544	H497-M521 HydrophobicContact CB-SD 4.2Å; E498-M521 HydrophobicContact CG-CE 3.41Å; E498-M521 VanDerWaalsContact CG-CE 3.41Å; E498-M521 HydrophobicContact CG-SD 3.76Å; Y499-M521 PolarHBondContact N-O 3.48Å; M521-S523 PolarHBondContact O-N 3.05Å; M521-G544 VanDerWaalsContact CA-O 3.3Å; M521-G544 WeakPolarHBondContact CA-O 3.37Å; M521-G544 PolarHBondContact N-O 3.45Å
522	R	97.7	Very high	96.9	Very high	116 Å²	116	35 Å²	35	44%	0.438	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	18	179.3	-57.3	-177.2	-176.7	108.6	9.9	115.6	Y499 T520 G544 E545	Y499-R522 HydrophobicContact CD1-CB 3.91Å; Y499-R522 HydrophobicContact CE1-CB 3.72Å; Y499-R522 HydrophobicContact CE1-CG 4.35Å; Y499-R522 PolarHBondContact OH-NH1 3.29Å; T520-R522 PolarHBondContact O-N 3.12Å; R522-G544 PolarHBondContact N-O 3.19Å; R522-E545 WeakPolarHBondContact CA-O 3.27Å; R522-E545 HydrophobicContact CG-CB 3.82Å; R522-E545 IonicContact CZ-OE1 3.53Å; R522-E545 IonicContact CZ-OE2 3.57Å; R522-E545 IonicContact NE-OE1 2.75Å; R522-E545 IonicContact NE-OE2 3.22Å; R522-E545 PolarHBondContact NE-OE2 3.31Å; R522-E545 VanDerWaalsContact NH2-CD 3.3Å; R522-E545 IonicContact NH2-OE1 2.74Å; R522-E545 PolarHBondContact NH2-OE1 3.02Å; R522-E545 IonicContact NH2-OE2 3.75Å; R522-E545 PolarHBondContact NH2-OE2 2.96Å; R522-E545 VanDerWaalsContact NH2-OE2 3.1Å
523	S	98.5	Very high	97.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.169	C	C	.	.			trans	-63.1	149	172.9	-63.8	0	0	0	0	111.9	V496 H497 G500 T520 M521 R547	V496-S523 PolarHBondContact O-OG 3.01Å; H497-S523 WeakPolarHBondContact CA-OG 3.43Å; H497-S523 PolarHBondContact N-OG 2.96Å; H497-S523 PolarHBondContact O-OG 2.81Å; G500-S523 PolarHBondContact N-OG 2.7Å; G500-S523 CarbonylContact O-C 3.55Å; G500-S523 VanDerWaalsContact O-CA 3.29Å; G500-S523 WeakPolarHBondContact O-CA 3.04Å; G500-S523 VanDerWaalsContact O-CB 3.27Å; G500-S523 WeakPolarHBondContact O-CB 3.32Å; T520-S523 WeakPolarHBondContact O-CB 3.18Å; T520-S523 PolarHBondContact O-N 2.88Å; T520-S523 PolarHBondContact O-OG 2.94Å; M521-S523 PolarHBondContact O-N 3.05Å; S523-R547 PolarHBondContact O-N 2.9Å
524	N	98.5	Very high	97.3	Very high	81 Å²	81	37.6 Å²	37.6	43%	0.433	18%	0.175	S	C	.	.			trans	-143.1	66.6	-174.1	-170.9	22.8	0	0	0	111.3	G500 R547 G548	G500-N524 PolarHBondContact O-N 2.78Å; N524-R547 HydrophobicContact CB-CB 4.26Å; N524-G548 WeakPolarHBondContact OD1-CA 3.46Å; N524-G548 PolarHBondContact OD1-N 2.81Å
525	P	98.6	Very high	97.2	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.169	C	C	.	.			trans	-78.8	166.6	177.8	34.6	-36.1	0	0	0	111.9	V496 I504 I519 I527 G548 L549	V496-P525 HydrophobicContact CB-CG 4.45Å; V496-P525 HydrophobicContact CG1-CB 4.31Å; V496-P525 HydrophobicContact CG1-CG 4.27Å; V496-P525 HydrophobicContact CG2-CB 4.39Å; V496-P525 HydrophobicContact CG2-CG 4.3Å; I504-P525 HydrophobicContact CD1-CB 4.46Å; I519-P525 HydrophobicContact CD1-CG 3.68Å; I519-P525 HydrophobicContact CG1-CG 3.83Å; I519-P525 HydrophobicContact CG2-CG 4.14Å; P525-I527 HydrophobicContact CG-CD1 4.3Å; P525-I527 HydrophobicContact CG-CG1 4.5Å; P525-G548 WeakPolarHBondContact O-CA 3.39Å; P525-L549 PolarHBondContact O-N 2.84Å; P525-L549 VanDerWaalsContact O-N 3.08Å
526	T	98.8	Very high	97.2	Very high	28 Å²	28	44.5 Å²	44.5	17%	0.172	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	118.2	168.9	-57	0	0	0	0	110.5	G502 I504 R528 L549	G502-T526 PolarHBondContact O-N 3.1Å; I504-T526 PolarHBondContact N-O 3.35Å; T526-R528 HydrophobicContact CG2-CG 3.94Å; T526-L549 HydrophobicContact CG2-CB 4.26Å; T526-L549 HydrophobicContact CG2-CD2 4.2Å; T526-L549 HydrophobicContact CG2-CG 4.48Å
527	I	98.8	Very high	97	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	107.9	-172.8	-59.3	166.5	0	0	0	108.3	I504 I517 I519 P525 N530 V540 L549 I550 E551 N553	I504-I527 HydrophobicContact CB-CG1 4.46Å; I504-I527 HydrophobicContact CD1-CG1 4.15Å; I504-I527 CarbonylContact O-C 3.58Å; I504-I527 WeakPolarHBondContact O-CA 3.32Å; I517-I527 HydrophobicContact CB-CD1 4.49Å; I517-I527 HydrophobicContact CD1-CD1 3.79Å; I517-I527 HydrophobicContact CD1-CG1 4.1Å; I517-I527 HydrophobicContact CD1-CG2 3.67Å; I517-I527 HydrophobicContact CG2-CD1 3.86Å; I519-I527 HydrophobicContact CD1-CD1 3.65Å; I519-I527 HydrophobicContact CG1-CD1 4.45Å; P525-I527 HydrophobicContact CG-CD1 4.3Å; P525-I527 HydrophobicContact CG-CG1 4.5Å; I527-N530 WeakPolarHBondContact CG2-ND2 3.37Å; I527-V540 HydrophobicContact CD1-CG1 4.3Å; I527-L549 PolarHBondContact N-O 3.5Å; I527-I550 HydrophobicContact CD1-CG1 4.22Å; I527-I550 WeakPolarHBondContact O-CA 3.18Å; I527-E551 PolarHBondContact O-N 3.06Å; I527-N553 PolarHBondContact O-ND2 3Å
528	R	98.7	Very high	96.6	Very high	84 Å²	84	46.6 Å²	46.6	32%	0.317	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	137.4	-173.2	-68	-170.2	177.9	114.6	-6.5	116.1	I504 S505 E506 T526 N530 E551	I504-R528 PolarHBondContact O-N 3.06Å; S505-R528 CarbonylContact C-O 3.57Å; S505-R528 WeakPolarHBondContact CA-O 3.36Å; E506-R528 PolarHBondContact N-O 3.31Å; E506-R528 VanDerWaalsContact N-O 3.09Å; T526-R528 HydrophobicContact CG2-CG 3.94Å; R528-N530 PolarHBondContact N-ND2 3.34Å; R528-N530 VanDerWaalsContact N-ND2 3.18Å; R528-N530 PolarHBondContact O-N 3.11Å; R528-N530 PolarHBondContact O-ND2 3.35Å; R528-E551 CarbonylContact C-O 3.57Å; R528-E551 WeakPolarHBondContact CA-O 3.36Å; R528-E551 HydrophobicContact CG-CB 4.12Å; R528-E551 IonicContact CZ-OE2 2.88Å; R528-E551 IonicContact NE-OE2 3.28Å; R528-E551 PolarHBondContact NE-OE2 3.18Å; R528-E551 IonicContact NH2-OE2 2.77Å
529	N	98.7	Very high	96.6	Very high	94 Å²	94	44.7 Å²	44.7	50%	0.503	20%	0.204	S	C	.	.	S	Bend	trans	54.8	28.8	169.7	-54.7	-29.7	0	0	0	114.3	E506 E551 G552 N553	E506-N529 VanDerWaalsContact CA-O 3.27Å; E506-N529 WeakPolarHBondContact CA-O 3.31Å; E506-N529 HydrophobicContact CG-CB 4.29Å; E506-N529 PolarHBondContact N-O 2.96Å; N529-E551 PolarHBondContact N-O 2.91Å; N529-E551 VanDerWaalsContact N-O 3.09Å; N529-G552 WeakPolarHBondContact CA-O 3.36Å; N529-G552 PolarHBondContact OD1-O 3.08Å; N529-N553 PolarHBondContact N-OD1 2.68Å
530	N	98.8	Very high	96.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	20%	0.204	C	C	.	.			trans	-91.4	155.7	177.4	-55	-80.5	0	0	0	110.7	I504 E506 N507 I527 R528 I532 N553 D554	I504-N530 PolarHBondContact O-ND2 3.01Å; E506-N530 PolarHBondContact N-OD1 3.17Å; N507-N530 VanDerWaalsContact CB-OD1 3.24Å; N507-N530 WeakPolarHBondContact CB-OD1 3.37Å; N507-N530 PolarHBondContact N-OD1 2.99Å; N507-N530 PolarHBondContact ND2-OD1 3.16Å; N507-N530 CarbonylContact O-C 3.45Å; N507-N530 WeakPolarHBondContact O-CA 3.47Å; I527-N530 WeakPolarHBondContact CG2-ND2 3.37Å; R528-N530 PolarHBondContact N-ND2 3.34Å; R528-N530 VanDerWaalsContact N-ND2 3.18Å; R528-N530 PolarHBondContact O-N 3.11Å; R528-N530 PolarHBondContact O-ND2 3.35Å; N530-I532 HydrophobicContact CB-CG1 4.2Å; N530-N553 WeakPolarHBondContact CB-OD1 3.48Å; N530-N553 PolarHBondContact N-OD1 3.15Å; N530-N553 PolarHBondContact ND2-OD1 3.04Å; N530-N553 WeakPolarHBondContact O-CA 3.26Å; N530-D554 PolarHBondContact O-N 3.42Å
531	K	98.7	Very high	96.6	Very high	100 Å²	100	46.5 Å²	46.5	44%	0.435	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	118.6	165.4	-63.9	-172.1	174	-167.5	0	108.8	N507 I509 F533 D554	N507-K531 PolarHBondContact O-N 3.06Å; I509-K531 PolarHBondContact N-O 2.87Å; K531-F533 HydrophobicContact CB-CD1 4.1Å; K531-F533 HydrophobicContact CB-CE1 4.2Å; K531-D554 CarbonylContact C-O 3.57Å; K531-D554 WeakPolarHBondContact CA-O 3.3Å; K531-D554 HydrophobicContact CG-CB 4.38Å
532	I	98.3	Very high	96.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	104.8	-176.4	-50.2	176.5	0	0	0	109.4	I509 I517 N530 V540 D554 I555 Y556 N558	I509-I532 HydrophobicContact CB-CG1 4.41Å; I509-I532 HydrophobicContact CB-CG2 4.47Å; I509-I532 HydrophobicContact CD1-CG1 4.38Å; I509-I532 VanDerWaalsContact O-CA 3.32Å; I509-I532 WeakPolarHBondContact O-CA 3.12Å; I517-I532 HydrophobicContact CD1-CD1 3.77Å; I517-I532 HydrophobicContact CG1-CD1 4.26Å; N530-I532 HydrophobicContact CB-CG1 4.2Å; I532-V540 HydrophobicContact CD1-CG2 3.62Å; I532-D554 PolarHBondContact N-O 3.25Å; I532-I555 HydrophobicContact CB-CG1 4.29Å; I532-I555 HydrophobicContact CB-CG2 4.5Å; I532-I555 HydrophobicContact CD1-CG1 4.4Å; I532-I555 WeakPolarHBondContact O-CA 3.34Å; I532-Y556 PolarHBondContact O-N 2.92Å; I532-Y556 VanDerWaalsContact O-N 3.08Å; I532-N558 PolarHBondContact O-ND2 2.85Å; I532-N558 VanDerWaalsContact O-ND2 3.17Å
533	F	97.5	Very high	96.6	Very high	33 Å²	33	38.9 Å²	38.9	15%	0.145	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	159.7	-167.4	65.4	-83.9	0	0	0	116	I509 C510 D511 K531 G535 Y556	I509-F533 PolarHBondContact O-N 2.84Å; C510-F533 WeakPolarHBondContact CA-O 3.21Å; C510-F533 HydrophobicContact CB-CD1 3.99Å; C510-F533 HydrophobicContact CB-CD2 3.86Å; C510-F533 HydrophobicContact CB-CE1 3.66Å; C510-F533 HydrophobicContact CB-CE2 3.51Å; C510-F533 HydrophobicContact CB-CG 4.08Å; C510-F533 HydrophobicContact CB-CZ 3.4Å; C510-F533 VanDerWaalsContact CB-O 3.3Å; C510-F533 WeakPolarHBondContact CB-O 3.31Å; D511-F533 PolarHBondContact N-O 2.96Å; K531-F533 HydrophobicContact CB-CD1 4.1Å; K531-F533 HydrophobicContact CB-CE1 4.2Å; F533-G535 PolarHBondContact O-N 2.87Å; F533-Y556 WeakPolarHBondContact CA-O 3.27Å; F533-Y556 HydrophobicContact CB-CD1 4.02Å; F533-Y556 HydrophobicContact CB-CD2 3.62Å; F533-Y556 HydrophobicContact CB-CE1 3.82Å; F533-Y556 HydrophobicContact CB-CE2 3.38Å; F533-Y556 HydrophobicContact CB-CG 3.92Å; F533-Y556 VanDerWaalsContact CB-CZ 3.48Å; F533-Y556 WeakPolarHBondContact CB-O 3.23Å; F533-Y556 HydrophobicContact CD1-CE1 4.16Å; F533-Y556 HydrophobicContact CD1-CE2 4.42Å; F533-Y556 AromaticContact CD1-CZ 3.78Å; F533-Y556 WeakPolarHBondContact CD1-OH 3.42Å; F533-Y556 AromaticContact CD2-CE2 3.89Å; F533-Y556 HydrophobicContact CD2-CE2 3.89Å; F533-Y556 AromaticContact CD2-CZ 3.99Å; F533-Y556 HydrophobicContact CG-CD2 4.39Å; F533-Y556 HydrophobicContact CG-CE1 4.1Å; F533-Y556 AromaticContact CG-CE2 3.65Å; F533-Y556 HydrophobicContact CG-CE2 3.65Å; F533-Y556 AromaticContact CG-CZ 3.47Å; F533-Y556 VanDerWaalsContact CG-CZ 3.47Å; F533-Y556 WeakPolarHBondContact CG-OH 3.17Å
534	N	94.2	Very high	96.5	Very high	78 Å²	78	39.8 Å²	39.8	42%	0.417	19%	0.187	S	C	.	.	S	Bend	trans	52.9	27.3	177	-61.8	-9.3	0	0	0	114.5	D511 Y556 N558	D511-N534 WeakPolarHBondContact CA-O 3.4Å; D511-N534 WeakPolarHBondContact OD1-CB 3.21Å; N534-Y556 PolarHBondContact N-O 3.28Å; N534-N558 PolarHBondContact N-OD1 2.78Å
535	G	90.8	Very high	96.4	Very high	5 Å²	5	39.5 Å²	39.5	5%	0.052	18%	0.183	C	C	.	.			trans	-75	150.5	169.5	0	0	0	0	0	111.4	N512 F533 Q537 N558 A559	N512-G535 WeakPolarHBondContact O-CA 3.42Å; F533-G535 PolarHBondContact O-N 2.87Å; G535-Q537 VanDerWaalsContact C-N 3.27Å; G535-Q537 PolarHBondContact O-N 3.41Å; G535-N558 PolarHBondContact N-OD1 2.87Å; G535-N558 WeakPolarHBondContact O-CA 3.16Å; G535-A559 PolarHBondContact O-N 2.93Å
536	R	91.4	Very high	96.4	Very high	178 Å²	178	39.5 Å²	39.5	67%	0.672	18%	0.183	S	C	*	.	S	Bend	trans	-82	-1.1	178.1	-64	-176.2	-178	-178.5	-6	114.3	N512 N513 A559	N512-R536 PolarHBondContact O-N 3.16Å; N513-R536 WeakPolarHBondContact O-CB 3.5Å; N513-R536 WeakPolarHBondContact OD1-CD 3.41Å; N513-R536 PolarHBondContact OD1-NH1 3.01Å; R536-A559 WeakPolarHBondContact O-CB 3.22Å
537	Q	90.9	Very high	96.4	Very high	46 Å²	46	44.7 Å²	44.7	22%	0.215	20%	0.199	C	C	.	.	S	Bend	trans	-124.5	-143.2	165.8	-70	-172.5	-19.2	0	0	110.5	F514 A515 G535 N558 A559 L560	F514-Q537 HydrophobicContact CB-CG 4.39Å; F514-Q537 VanDerWaalsContact CD1-CD 3.49Å; A515-Q537 HydrophobicContact CB-CB 4.35Å; G535-Q537 VanDerWaalsContact C-N 3.27Å; G535-Q537 PolarHBondContact O-N 3.41Å; Q537-N558 WeakPolarHBondContact O-CB 3.37Å; Q537-A559 PolarHBondContact O-N 2.86Å; Q537-L560 HydrophobicContact CB-CD1 3.91Å; Q537-L560 HydrophobicContact CB-CG 4.44Å; Q537-L560 HydrophobicContact CG-CD1 4Å; Q537-L560 PolarHBondContact O-N 2.87Å
538	G	89.9	Confident	96.3	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.01	20%	0.202	C	C	.	.			trans	-79.6	163.9	179.1	0	0	0	0	0	112.6	A515 G516 A561	A515-G538 WeakPolarHBondContact CA-O 3.42Å; A515-G538 WeakPolarHBondContact CB-O 3.49Å; G516-G538 PolarHBondContact N-O 2.96Å; G516-G538 VanDerWaalsContact N-O 3.17Å; G538-A561 CarbonylContact C-O 3.53Å; G538-A561 WeakPolarHBondContact CA-O 3.34Å
539	G	96.5	Very high	96.3	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-67.7	-59.5	175.6	0	0	0	0	0	111.3	G516 I517 A561 G562	G516-G539 CarbonylContact C-O 3.49Å; G516-G539 VanDerWaalsContact CA-O 3.26Å; G516-G539 WeakPolarHBondContact CA-O 3.11Å; G516-G539 PolarHBondContact N-O 2.84Å; G516-G539 VanDerWaalsContact N-O 3.09Å; I517-G539 PolarHBondContact N-O 3.05Å; G539-A561 PolarHBondContact N-O 2.95Å; G539-G562 CarbonylContact C-O 3.54Å; G539-G562 WeakPolarHBondContact CA-O 3.11Å; G539-G562 PolarHBondContact N-O 3.09Å
540	V	97.9	Very high	96.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	122	175	-175.1	0	0	0	0	109.3	I517 I519 I527 I532 I542 I550 I555 G562 I563 Q564	I517-V540 HydrophobicContact CB-CG1 4.38Å; I517-V540 HydrophobicContact CB-CG2 4.4Å; I517-V540 CarbonylContact O-C 3.54Å; I517-V540 WeakPolarHBondContact O-CA 3.37Å; I519-V540 HydrophobicContact CD1-CG1 4.06Å; I527-V540 HydrophobicContact CD1-CG1 4.3Å; I532-V540 HydrophobicContact CD1-CG2 3.62Å; V540-I542 HydrophobicContact CG1-CD1 4.14Å; V540-I542 HydrophobicContact CG1-CG1 3.95Å; V540-I550 HydrophobicContact CG1-CG1 4.37Å; V540-I555 HydrophobicContact CG2-CD1 4.12Å; V540-G562 PolarHBondContact N-O 2.87Å; V540-I563 HydrophobicContact CB-CG1 4.33Å; V540-I563 CarbonylContact O-C 3.53Å; V540-I563 VanDerWaalsContact O-CA 3.3Å; V540-I563 WeakPolarHBondContact O-CA 3.15Å; V540-Q564 PolarHBondContact O-N 2.89Å
541	Y	97.1	Very high	96.3	Very high	44 Å²	44	39.2 Å²	39.2	17%	0.173	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.8	-179	-173.9	-167.3	0	0	0	110.9	I517 W518 I519 F543 Q564 R566	I517-Y541 PolarHBondContact O-N 3.14Å; W518-Y541 CarbonylContact C-O 3.55Å; W518-Y541 WeakPolarHBondContact CA-O 3.25Å; W518-Y541 AromaticContact NE1-CD1 3.69Å; I519-Y541 PolarHBondContact N-O 3.06Å; Y541-F543 HydrophobicContact CD2-CD1 4.38Å; Y541-F543 HydrophobicContact CG-CD1 4.44Å; Y541-Q564 HydrophobicContact CD2-CB 3.6Å; Y541-Q564 HydrophobicContact CD2-CG 3.73Å; Y541-Q564 VanDerWaalsContact CD2-OE1 3.25Å; Y541-Q564 HydrophobicContact CE2-CB 4.03Å; Y541-Q564 HydrophobicContact CE2-CG 3.59Å; Y541-Q564 HydrophobicContact CG-CB 4.33Å; Y541-R566 HydrophobicContact CE2-CG 3.78Å; Y541-R566 WeakPolarHBondContact OH-CD 3.2Å
542	I	98.2	Very high	96.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	119.1	-170.1	-47.7	172.1	0	0	0	108.4	I519 V540 I550 I563 Q564 I565 R566 P571	I519-I542 HydrophobicContact CB-CG1 4.29Å; I519-I542 HydrophobicContact CB-CG2 4.19Å; I519-I542 HydrophobicContact CD1-CD1 4.23Å; I519-I542 HydrophobicContact CD1-CG1 3.93Å; I519-I542 HydrophobicContact CG1-CG1 4.46Å; I519-I542 HydrophobicContact CG2-CG2 4.45Å; I519-I542 CarbonylContact O-C 3.56Å; I519-I542 WeakPolarHBondContact O-CA 3.22Å; V540-I542 HydrophobicContact CG1-CD1 4.14Å; V540-I542 HydrophobicContact CG1-CG1 3.95Å; I542-I550 HydrophobicContact CD1-CD1 3.74Å; I542-I563 HydrophobicContact CD1-CG2 4.36Å; I542-Q564 PolarHBondContact N-O 3.35Å; I542-I565 HydrophobicContact CD1-CG1 4.4Å; I542-I565 WeakPolarHBondContact O-CA 3.49Å; I542-R566 PolarHBondContact O-N 3.23Å; I542-P571 HydrophobicContact CD1-CB 3.79Å; I542-P571 HydrophobicContact CD1-CG 3.72Å
543	F	97.3	Very high	96.3	Very high	45 Å²	45	35.7 Å²	35.7	20%	0.197	17%	0.168	C	C	.	.			trans	-145.5	177.7	-176.4	63.6	-80.5	0	0	0	111.7	W518 I519 T520 Y541 E545 G546 R566 S569	W518-F543 HydrophobicContact CB-CE1 4.48Å; W518-F543 HydrophobicContact CG-CE1 4.41Å; I519-F543 PolarHBondContact O-N 3.36Å; T520-F543 VanDerWaalsContact CA-O 3.23Å; T520-F543 WeakPolarHBondContact CA-O 3.14Å; T520-F543 VanDerWaalsContact CB-CE2 3.5Å; T520-F543 HydrophobicContact CG2-CE1 4.29Å; T520-F543 HydrophobicContact CG2-CE2 3.91Å; T520-F543 HydrophobicContact CG2-CZ 3.73Å; T520-F543 WeakPolarHBondContact OG1-CD2 3.22Å; T520-F543 WeakPolarHBondContact OG1-CE2 3.37Å; T520-F543 PolarHBondContact OG1-O 3.41Å; Y541-F543 HydrophobicContact CD2-CD1 4.38Å; Y541-F543 HydrophobicContact CG-CD1 4.44Å; F543-E545 PolarHBondContact O-N 3.14Å; F543-G546 WeakPolarHBondContact O-CA 3.32Å; F543-G546 PolarHBondContact O-N 3.37Å; F543-R566 HydrophobicContact CB-CG 3.31Å; F543-S569 VanDerWaalsContact C-OG 3.26Å; F543-S569 VanDerWaalsContact CA-OG 3.25Å; F543-S569 WeakPolarHBondContact CA-OG 3.43Å; F543-S569 PolarHBondContact N-OG 3.02Å; F543-S569 PolarHBondContact O-OG 3.08Å
544	G	96.1	Very high	96.4	Very high	18 Å²	18	36 Å²	36	19%	0.186	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	51.4	174.3	0	0	0	0	0	114.8	M521 R522 G546	M521-G544 VanDerWaalsContact CA-O 3.3Å; M521-G544 WeakPolarHBondContact CA-O 3.37Å; M521-G544 PolarHBondContact N-O 3.45Å; R522-G544 PolarHBondContact N-O 3.19Å; G544-G546 PolarHBondContact O-N 2.84Å
545	E	98	Very high	96.6	Very high	75 Å²	75	32.3 Å²	32.3	35%	0.35	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	25.3	-174.6	-58	173.4	-125.8	0	0	114.2	R522 F543 T567 N568	R522-E545 WeakPolarHBondContact CA-O 3.27Å; R522-E545 HydrophobicContact CG-CB 3.82Å; R522-E545 IonicContact CZ-OE1 3.53Å; R522-E545 IonicContact CZ-OE2 3.57Å; R522-E545 IonicContact NE-OE1 2.75Å; R522-E545 IonicContact NE-OE2 3.22Å; R522-E545 PolarHBondContact NE-OE2 3.31Å; R522-E545 VanDerWaalsContact NH2-CD 3.3Å; R522-E545 IonicContact NH2-OE1 2.74Å; R522-E545 PolarHBondContact NH2-OE1 3.02Å; R522-E545 IonicContact NH2-OE2 3.75Å; R522-E545 PolarHBondContact NH2-OE2 2.96Å; R522-E545 VanDerWaalsContact NH2-OE2 3.1Å; F543-E545 PolarHBondContact O-N 3.14Å; E545-T567 PolarHBondContact N-O 3.44Å; E545-N568 HydrophobicContact CG-CB 4.29Å
546	G	98	Very high	96.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.16	C	C	.	.			trans	-59.8	145.5	175.1	0	0	0	0	0	112.4	F543 G544 S569 D570	F543-G546 WeakPolarHBondContact O-CA 3.32Å; F543-G546 PolarHBondContact O-N 3.37Å; G544-G546 PolarHBondContact O-N 2.84Å; G546-S569 PolarHBondContact N-OG 3.37Å; G546-S569 VanDerWaalsContact N-OG 3.17Å; G546-S569 CarbonylContact O-C 3.54Å; G546-S569 VanDerWaalsContact O-CA 3.24Å; G546-S569 WeakPolarHBondContact O-CA 3.49Å; G546-S569 WeakPolarHBondContact O-CB 3.04Å; G546-D570 PolarHBondContact O-N 2.63Å
547	R	98.1	Very high	97.1	Very high	137 Å²	137	27.4 Å²	27.4	52%	0.517	14%	0.138	S	C	.	.			trans	-128.7	-161.2	176.8	-60.9	-173.9	-179	-176.4	-0.8	108.9	I519 S523 N524	I519-R547 WeakPolarHBondContact CG2-O 3.07Å; S523-R547 PolarHBondContact O-N 2.9Å; N524-R547 HydrophobicContact CB-CB 4.26Å
548	G	96.9	Very high	97.4	Very high	5 Å²	5	25.3 Å²	25.3	5%	0.052	13%	0.129	C	C	.	.			trans	128.7	166.4	175.7	0	0	0	0	0	112.1	N524 P525 P571 I572	N524-G548 WeakPolarHBondContact OD1-CA 3.46Å; N524-G548 PolarHBondContact OD1-N 2.81Å; P525-G548 WeakPolarHBondContact O-CA 3.39Å; G548-P571 WeakPolarHBondContact O-CA 3.3Å; G548-I572 PolarHBondContact O-N 3.37Å
549	L	98.7	Very high	97.6	Very high	24 Å²	24	26.7 Å²	26.7	13%	0.126	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.5	171.7	174.7	63.9	0	0	0	109.1	P525 T526 I527 E551 I572 R574	P525-L549 PolarHBondContact O-N 2.84Å; P525-L549 VanDerWaalsContact O-N 3.08Å; T526-L549 HydrophobicContact CG2-CB 4.26Å; T526-L549 HydrophobicContact CG2-CD2 4.2Å; T526-L549 HydrophobicContact CG2-CG 4.48Å; I527-L549 PolarHBondContact N-O 3.5Å; L549-E551 HydrophobicContact CD1-CB 4.09Å; L549-E551 HydrophobicContact CG-CB 4.07Å; L549-I572 CarbonylContact C-O 3.53Å; L549-I572 WeakPolarHBondContact CA-O 3.41Å; L549-I572 HydrophobicContact CD1-CB 3.81Å; L549-I572 HydrophobicContact CD1-CG2 3.6Å; L549-R574 HydrophobicContact CD1-CG 4.18Å
550	I	98.8	Very high	97.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	101.4	176.9	-58.4	84.8	0	0	0	106.4	I527 V540 I542 N553 I563 P571 I572 V573 R574 N576	I527-I550 HydrophobicContact CD1-CG1 4.22Å; I527-I550 WeakPolarHBondContact O-CA 3.18Å; V540-I550 HydrophobicContact CG1-CG1 4.37Å; I542-I550 HydrophobicContact CD1-CD1 3.74Å; I550-N553 WeakPolarHBondContact CG2-ND2 3.13Å; I550-I563 HydrophobicContact CG2-CD1 3.99Å; I550-P571 HydrophobicContact CD1-CB 3.81Å; I550-I572 PolarHBondContact N-O 3.15Å; I550-V573 HydrophobicContact CB-CG2 4.43Å; I550-V573 HydrophobicContact CD1-CG2 4.29Å; I550-V573 CarbonylContact O-C 3.59Å; I550-V573 WeakPolarHBondContact O-CA 3.04Å; I550-R574 PolarHBondContact O-N 2.96Å; I550-N576 PolarHBondContact O-ND2 2.86Å
551	E	98.8	Very high	97.4	Very high	34 Å²	34	29.3 Å²	29.3	16%	0.159	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.4	-170	167.9	177	-128.4	0	0	114.7	I527 R528 N529 L549 N553 R574	I527-E551 PolarHBondContact O-N 3.06Å; R528-E551 CarbonylContact C-O 3.57Å; R528-E551 WeakPolarHBondContact CA-O 3.36Å; R528-E551 HydrophobicContact CG-CB 4.12Å; R528-E551 IonicContact CZ-OE2 2.88Å; R528-E551 IonicContact NE-OE2 3.28Å; R528-E551 PolarHBondContact NE-OE2 3.18Å; R528-E551 IonicContact NH2-OE2 2.77Å; N529-E551 PolarHBondContact N-O 2.91Å; N529-E551 VanDerWaalsContact N-O 3.09Å; L549-E551 HydrophobicContact CD1-CB 4.09Å; L549-E551 HydrophobicContact CG-CB 4.07Å; E551-N553 PolarHBondContact N-ND2 2.97Å; E551-N553 VanDerWaalsContact N-ND2 3.16Å; E551-N553 PolarHBondContact O-N 2.81Å; E551-N553 PolarHBondContact O-ND2 2.88Å; E551-N553 VanDerWaalsContact O-ND2 3.16Å; E551-R574 WeakPolarHBondContact CA-O 3.3Å; E551-R574 HydrophobicContact CB-CG 4Å; E551-R574 VanDerWaalsContact CD-NE 3.27Å; E551-R574 VanDerWaalsContact CD-NH2 3.29Å; E551-R574 HydrophobicContact CG-CG 4.08Å; E551-R574 IonicContact OE1-CZ 3.22Å; E551-R574 IonicContact OE1-NE 2.77Å; E551-R574 PolarHBondContact OE1-NE 3.11Å; E551-R574 IonicContact OE1-NH2 3.49Å; E551-R574 PolarHBondContact OE1-NH2 2.85Å; E551-R574 IonicContact OE2-CZ 2.73Å; E551-R574 IonicContact OE2-NE 3.35Å; E551-R574 IonicContact OE2-NH2 2.88Å; E551-R574 PolarHBondContact OE2-NH2 2.91Å
552	G	98.6	Very high	97.5	Very high	25 Å²	25	27.4 Å²	27.4	26%	0.258	15%	0.148	S	C	.	.	S	Bend	trans	69.2	14.4	170.8	0	0	0	0	0	115.1	N529 R574 N575 N576	N529-G552 WeakPolarHBondContact CA-O 3.36Å; N529-G552 PolarHBondContact OD1-O 3.08Å; G552-R574 PolarHBondContact N-O 3.37Å; G552-R574 VanDerWaalsContact N-O 3.16Å; G552-N575 WeakPolarHBondContact CA-O 3.17Å; G552-N575 PolarHBondContact N-O 2.82Å; G552-N576 PolarHBondContact N-OD1 2.95Å
553	N	98.8	Very high	97.5	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.011	15%	0.148	C	C	.	.			trans	-85	154	-177.8	-54.3	-80.9	0	0	0	111.6	I527 N529 N530 I550 E551 I555 N576 R577	I527-N553 PolarHBondContact O-ND2 3Å; N529-N553 PolarHBondContact N-OD1 2.68Å; N530-N553 WeakPolarHBondContact CB-OD1 3.48Å; N530-N553 PolarHBondContact N-OD1 3.15Å; N530-N553 PolarHBondContact ND2-OD1 3.04Å; N530-N553 WeakPolarHBondContact O-CA 3.26Å; I550-N553 WeakPolarHBondContact CG2-ND2 3.13Å; E551-N553 PolarHBondContact N-ND2 2.97Å; E551-N553 VanDerWaalsContact N-ND2 3.16Å; E551-N553 PolarHBondContact O-N 2.81Å; E551-N553 PolarHBondContact O-ND2 2.88Å; E551-N553 VanDerWaalsContact O-ND2 3.16Å; N553-I555 HydrophobicContact CB-CD1 4.37Å; N553-I555 HydrophobicContact CB-CG1 4.14Å; N553-N576 VanDerWaalsContact CB-OD1 3.32Å; N553-N576 WeakPolarHBondContact CB-OD1 3.4Å; N553-N576 PolarHBondContact N-OD1 3.06Å; N553-N576 PolarHBondContact ND2-OD1 3.35Å; N553-N576 CarbonylContact O-C 3.54Å; N553-N576 VanDerWaalsContact O-CA 3.31Å; N553-N576 WeakPolarHBondContact O-CA 3.35Å; N553-N576 WeakPolarHBondContact O-CB 3.4Å; N553-R577 PolarHBondContact O-N 2.71Å
554	D	98.7	Very high	97.5	Very high	39 Å²	39	26.3 Å²	26.3	21%	0.209	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	107	174.6	-173.6	13.4	0	0	0	108.9	N530 K531 I532 H579	N530-D554 PolarHBondContact O-N 3.42Å; K531-D554 CarbonylContact C-O 3.57Å; K531-D554 WeakPolarHBondContact CA-O 3.3Å; K531-D554 HydrophobicContact CG-CB 4.38Å; I532-D554 PolarHBondContact N-O 3.25Å; D554-H579 IonicContact OD1-CD2 3.39Å; D554-H579 IonicContact OD1-NE2 3.06Å; D554-H579 PolarHBondContact OD1-NE2 3.3Å
555	I	98.6	Very high	97.6	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	115	-169.1	-53.8	176.9	0	0	0	109.6	I532 V540 N553 N558 I563 R577 I578 H579	I532-I555 HydrophobicContact CB-CG1 4.29Å; I532-I555 HydrophobicContact CB-CG2 4.5Å; I532-I555 HydrophobicContact CD1-CG1 4.4Å; I532-I555 WeakPolarHBondContact O-CA 3.34Å; V540-I555 HydrophobicContact CG2-CD1 4.12Å; N553-I555 HydrophobicContact CB-CD1 4.37Å; N553-I555 HydrophobicContact CB-CG1 4.14Å; I555-N558 WeakPolarHBondContact CG2-ND2 3.47Å; I555-I563 HydrophobicContact CD1-CD1 3.86Å; I555-I563 HydrophobicContact CD1-CG1 3.7Å; I555-R577 PolarHBondContact N-O 3.03Å; I555-I578 HydrophobicContact CB-CG1 4.48Å; I555-I578 WeakPolarHBondContact O-CA 3.38Å; I555-H579 PolarHBondContact O-N 3.08Å
556	Y	98.1	Very high	97.6	Very high	59 Å²	59	24.2 Å²	24.2	23%	0.231	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	161.3	-172.4	64.3	-92.8	0	0	0	116.2	I532 F533 N534 N558 H579	I532-Y556 PolarHBondContact O-N 2.92Å; I532-Y556 VanDerWaalsContact O-N 3.08Å; F533-Y556 WeakPolarHBondContact CA-O 3.27Å; F533-Y556 HydrophobicContact CB-CD1 4.02Å; F533-Y556 HydrophobicContact CB-CD2 3.62Å; F533-Y556 HydrophobicContact CB-CE1 3.82Å; F533-Y556 HydrophobicContact CB-CE2 3.38Å; F533-Y556 HydrophobicContact CB-CG 3.92Å; F533-Y556 VanDerWaalsContact CB-CZ 3.48Å; F533-Y556 WeakPolarHBondContact CB-O 3.23Å; F533-Y556 HydrophobicContact CD1-CE1 4.16Å; F533-Y556 HydrophobicContact CD1-CE2 4.42Å; F533-Y556 AromaticContact CD1-CZ 3.78Å; F533-Y556 WeakPolarHBondContact CD1-OH 3.42Å; F533-Y556 AromaticContact CD2-CE2 3.89Å; F533-Y556 HydrophobicContact CD2-CE2 3.89Å; F533-Y556 AromaticContact CD2-CZ 3.99Å; F533-Y556 HydrophobicContact CG-CD2 4.39Å; F533-Y556 HydrophobicContact CG-CE1 4.1Å; F533-Y556 AromaticContact CG-CE2 3.65Å; F533-Y556 HydrophobicContact CG-CE2 3.65Å; F533-Y556 AromaticContact CG-CZ 3.47Å; F533-Y556 VanDerWaalsContact CG-CZ 3.47Å; F533-Y556 WeakPolarHBondContact CG-OH 3.17Å; N534-Y556 PolarHBondContact N-O 3.28Å; Y556-N558 PolarHBondContact O-N 3.2Å; Y556-N558 PolarHBondContact O-ND2 2.77Å; Y556-H579 WeakPolarHBondContact CA-O 3.14Å; Y556-H579 WeakPolarHBondContact CB-CE1 3.26Å; Y556-H579 WeakPolarHBondContact CB-ND1 3.3Å; Y556-H579 WeakPolarHBondContact CB-O 3.49Å; Y556-H579 AromaticContact CD1-CE1 3.84Å; Y556-H579 AromaticContact CG-CE1 3.57Å
557	G	95.8	Very high	97.5	Very high	20 Å²	20	25.6 Å²	25.6	21%	0.206	14%	0.135	C	C	.	.	S	Bend	trans	66.9	7.1	172.9	0	0	0	0	0	115.4	H580	G557-H580 WeakPolarHBondContact CA-O 3.39Å; G557-H580 PolarHBondContact N-O 3.45Å
558	N	96	Very high	97.5	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.011	13%	0.128	C	C	.	.			trans	-76	148.4	179.6	-61.8	-60.8	0	0	0	110.9	I532 N534 G535 Q537 I555 Y556 Q582	I532-N558 PolarHBondContact O-ND2 2.85Å; I532-N558 VanDerWaalsContact O-ND2 3.17Å; N534-N558 PolarHBondContact N-OD1 2.78Å; G535-N558 PolarHBondContact N-OD1 2.87Å; G535-N558 WeakPolarHBondContact O-CA 3.16Å; Q537-N558 WeakPolarHBondContact O-CB 3.37Å; I555-N558 WeakPolarHBondContact CG2-ND2 3.47Å; Y556-N558 PolarHBondContact O-N 3.2Å; Y556-N558 PolarHBondContact O-ND2 2.77Å; N558-Q582 PolarHBondContact O-N 2.9Å
559	A	94.7	Very high	97.6	Very high	30 Å²	30	22.1 Å²	22.1	25%	0.248	13%	0.126	C	C	.	.	S	Bend	trans	-74.3	-31.9	-175.7	0	0	0	0	0	113.4	G535 R536 Q537	G535-A559 PolarHBondContact O-N 2.93Å; R536-A559 WeakPolarHBondContact O-CB 3.22Å; Q537-A559 PolarHBondContact O-N 2.86Å
560	L	95	Very high	97.6	Very high	54 Å²	54	24.6 Å²	24.6	28%	0.283	14%	0.139	S	C	.	.	S	Bend	trans	-106.8	-163.9	171.9	-56.5	177.9	0	0	0	110.9	Q537	Q537-L560 HydrophobicContact CB-CD1 3.91Å; Q537-L560 HydrophobicContact CB-CG 4.44Å; Q537-L560 HydrophobicContact CG-CD1 4Å; Q537-L560 PolarHBondContact O-N 2.87Å
561	A	96	Very high	97.6	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.008	14%	0.139	C	C	.	.			trans	-60.9	143.3	-174.3	0	0	0	0	0	111.9	G538 G539 I563 G584	G538-A561 CarbonylContact C-O 3.53Å; G538-A561 WeakPolarHBondContact CA-O 3.34Å; G539-A561 PolarHBondContact N-O 2.95Å; A561-I563 VanDerWaalsContact C-N 3.31Å; A561-I563 PolarHBondContact O-N 3.19Å; A561-G584 WeakPolarHBondContact CA-O 3.05Å; A561-G584 WeakPolarHBondContact CB-O 3.42Å
562	G	97.6	Very high	97.6	Very high	5 Å²	5	26.6 Å²	26.6	5%	0.052	15%	0.15	C	C	.	.	S	Bend	trans	-55.8	-48.5	176.5	0	0	0	0	0	111.5	G539 V540 G584 G585	G539-G562 CarbonylContact C-O 3.54Å; G539-G562 WeakPolarHBondContact CA-O 3.11Å; G539-G562 PolarHBondContact N-O 3.09Å; V540-G562 PolarHBondContact N-O 2.87Å; G562-G584 PolarHBondContact N-O 2.95Å; G562-G585 VanDerWaalsContact CA-O 3.31Å; G562-G585 WeakPolarHBondContact CA-O 3.25Å; G562-G585 PolarHBondContact N-O 3.19Å
563	I	98.3	Very high	97.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	133.7	170	-58.7	177.6	0	0	0	109.4	V540 I542 I550 I555 A561 I565 V573 I578 G585 I586 Y587	V540-I563 HydrophobicContact CB-CG1 4.33Å; V540-I563 CarbonylContact O-C 3.53Å; V540-I563 VanDerWaalsContact O-CA 3.3Å; V540-I563 WeakPolarHBondContact O-CA 3.15Å; I542-I563 HydrophobicContact CD1-CG2 4.36Å; I550-I563 HydrophobicContact CG2-CD1 3.99Å; I555-I563 HydrophobicContact CD1-CD1 3.86Å; I555-I563 HydrophobicContact CD1-CG1 3.7Å; A561-I563 VanDerWaalsContact C-N 3.31Å; A561-I563 PolarHBondContact O-N 3.19Å; I563-I565 HydrophobicContact CG2-CG1 4.14Å; I563-V573 HydrophobicContact CD1-CG1 3.48Å; I563-V573 VanDerWaalsContact CD1-CG1 3.48Å; I563-V573 HydrophobicContact CD1-CG2 4.35Å; I563-V573 HydrophobicContact CG2-CG2 4.43Å; I563-I578 HydrophobicContact CD1-CD1 3.64Å; I563-I578 HydrophobicContact CG1-CD1 4.02Å; I563-G585 PolarHBondContact N-O 3.17Å; I563-I586 HydrophobicContact CB-CG1 4.42Å; I563-I586 HydrophobicContact CB-CG2 4.44Å; I563-I586 CarbonylContact O-C 3.55Å; I563-I586 WeakPolarHBondContact O-CA 3.05Å; I563-Y587 PolarHBondContact O-N 2.88Å
564	Q	97.9	Very high	97.6	Very high	22 Å²	22	29.2 Å²	29.2	10%	0.103	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130.6	175.5	-169.6	174	30.9	0	0	110.5	V540 Y541 I542 Y587 H589	V540-Q564 PolarHBondContact O-N 2.89Å; Y541-Q564 HydrophobicContact CD2-CB 3.6Å; Y541-Q564 HydrophobicContact CD2-CG 3.73Å; Y541-Q564 VanDerWaalsContact CD2-OE1 3.25Å; Y541-Q564 HydrophobicContact CE2-CB 4.03Å; Y541-Q564 HydrophobicContact CE2-CG 3.59Å; Y541-Q564 HydrophobicContact CG-CB 4.33Å; I542-Q564 PolarHBondContact N-O 3.35Å; Q564-Y587 CarbonylContact C-O 3.54Å; Q564-Y587 VanDerWaalsContact CA-O 3.31Å; Q564-Y587 WeakPolarHBondContact CA-O 3.23Å; Q564-Y587 HydrophobicContact CG-CD1 4.06Å; Q564-H589 WeakPolarHBondContact CG-NE2 3.24Å; Q564-H589 PolarHBondContact NE2-NE2 3.04Å
565	I	98.4	Very high	97.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	115	-177.2	-52.4	173.5	0	0	0	108.2	I542 I563 P571 V573 I586 Y587 V588 H589	I542-I565 HydrophobicContact CD1-CG1 4.4Å; I542-I565 WeakPolarHBondContact O-CA 3.49Å; I563-I565 HydrophobicContact CG2-CG1 4.14Å; I565-P571 HydrophobicContact CD1-CG 3.58Å; I565-P571 HydrophobicContact CG1-CG 3.94Å; I565-P571 HydrophobicContact CG2-CG 4.12Å; I565-V573 HydrophobicContact CD1-CG2 4.32Å; I565-I586 HydrophobicContact CD1-CG2 4.48Å; I565-Y587 PolarHBondContact N-O 3.44Å; I565-V588 HydrophobicContact CB-CG1 4.2Å; I565-V588 HydrophobicContact CB-CG2 4.45Å; I565-V588 HydrophobicContact CD1-CG2 4.19Å; I565-V588 HydrophobicContact CG2-CG1 4.4Å; I565-V588 CarbonylContact O-C 3.53Å; I565-V588 WeakPolarHBondContact O-CA 3.31Å; I565-H589 PolarHBondContact O-N 3.07Å
566	R	97.1	Very high	97.6	Very high	48 Å²	48	31.6 Å²	31.6	18%	0.181	17%	0.165	C	C	.	.			trans	-138.5	170.4	-178.3	67.9	173.7	-90.1	128.2	-8.6	114.7	Y541 I542 F543 N568 S569 H589 E590	Y541-R566 HydrophobicContact CE2-CG 3.78Å; Y541-R566 WeakPolarHBondContact OH-CD 3.2Å; I542-R566 PolarHBondContact O-N 3.23Å; F543-R566 HydrophobicContact CB-CG 3.31Å; R566-N568 PolarHBondContact O-N 2.98Å; R566-S569 WeakPolarHBondContact O-CB 3.47Å; R566-S569 PolarHBondContact O-N 2.59Å; R566-S569 VanDerWaalsContact O-N 3.14Å; R566-S569 PolarHBondContact O-OG 3.41Å; R566-H589 VanDerWaalsContact CA-O 3.25Å; R566-H589 WeakPolarHBondContact CA-O 3.44Å; R566-H589 PolarHBondContact NH1-CE1 2.96Å; R566-E590 HydrophobicContact CB-CB 4.36Å; R566-E590 IonicContact CZ-OE1 3.56Å; R566-E590 VanDerWaalsContact CZ-OE1 3.26Å; R566-E590 IonicContact CZ-OE2 2.79Å; R566-E590 IonicContact NE-OE2 3.54Å; R566-E590 PolarHBondContact NE-OE2 3.1Å; R566-E590 IonicContact NH1-OE1 3.55Å; R566-E590 PolarHBondContact NH1-OE1 3.23Å; R566-E590 IonicContact NH1-OE2 2.68Å; R566-E590 PolarHBondContact NH1-OE2 3.33Å; R566-E590 IonicContact NH2-OE1 3.98Å; R566-E590 PolarHBondContact NH2-OE1 2.95Å; R566-E590 IonicContact NH2-OE2 2.76Å; R566-E590 PolarHBondContact NH2-OE2 3.41Å
567	T	97.3	Very high	97.7	Very high	29 Å²	29	35.4 Å²	35.4	18%	0.178	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	57.9	167.4	-38.2	0	0	0	0	112.2	E545 S569 E590	E545-T567 PolarHBondContact N-O 3.44Å; T567-S569 PolarHBondContact O-N 3.01Å; T567-S569 VanDerWaalsContact O-N 3.14Å; T567-E590 VanDerWaalsContact CA-O 3.26Å; T567-E590 WeakPolarHBondContact CA-O 3.46Å; T567-E590 PolarHBondContact N-O 2.96Å; T567-E590 PolarHBondContact OG1-OE2 3.18Å
568	N	98.1	Very high	97.8	Very high	69 Å²	69	34.5 Å²	34.5	37%	0.369	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	18.1	-179.3	-45.6	-80	0	0	0	115.5	E545 R566 E590 R591	E545-N568 HydrophobicContact CG-CB 4.29Å; R566-N568 PolarHBondContact O-N 2.98Å; N568-E590 PolarHBondContact N-O 3.03Å; N568-R591 WeakPolarHBondContact CA-O 3.36Å; N568-R591 WeakPolarHBondContact OD1-CB 3.45Å; N568-R591 WeakPolarHBondContact OD1-CD 3.38Å
569	S	98.6	Very high	97.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.173	C	C	.	.			trans	-67.4	146.3	174.7	-62.2	0	0	0	0	111.9	F543 G546 R566 T567 R593	F543-S569 VanDerWaalsContact C-OG 3.26Å; F543-S569 VanDerWaalsContact CA-OG 3.25Å; F543-S569 WeakPolarHBondContact CA-OG 3.43Å; F543-S569 PolarHBondContact N-OG 3.02Å; F543-S569 PolarHBondContact O-OG 3.08Å; G546-S569 PolarHBondContact N-OG 3.37Å; G546-S569 VanDerWaalsContact N-OG 3.17Å; G546-S569 CarbonylContact O-C 3.54Å; G546-S569 VanDerWaalsContact O-CA 3.24Å; G546-S569 WeakPolarHBondContact O-CA 3.49Å; G546-S569 WeakPolarHBondContact O-CB 3.04Å; R566-S569 WeakPolarHBondContact O-CB 3.47Å; R566-S569 PolarHBondContact O-N 2.59Å; R566-S569 VanDerWaalsContact O-N 3.14Å; R566-S569 PolarHBondContact O-OG 3.41Å; T567-S569 PolarHBondContact O-N 3.01Å; T567-S569 VanDerWaalsContact O-N 3.14Å; S569-R593 PolarHBondContact O-N 2.89Å
570	D	98.6	Very high	98	Very high	77 Å²	77	38.9 Å²	38.9	41%	0.412	18%	0.184	S	C	.	.			trans	-142.5	70.2	-171.5	-168.1	26.1	0	0	0	111.7	G546 R593 G594	G546-D570 PolarHBondContact O-N 2.63Å; D570-R593 HydrophobicContact CB-CB 4.28Å; D570-G594 WeakPolarHBondContact OD1-CA 3.32Å; D570-G594 PolarHBondContact OD1-N 2.91Å
571	P	98.7	Very high	97.9	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	17%	0.174	C	C	.	.			trans	-87.6	167.3	179.8	36.7	-37	0	0	0	112.9	I542 G548 I550 I565 V573 G594 L595	I542-P571 HydrophobicContact CD1-CB 3.79Å; I542-P571 HydrophobicContact CD1-CG 3.72Å; G548-P571 WeakPolarHBondContact O-CA 3.3Å; I550-P571 HydrophobicContact CD1-CB 3.81Å; I565-P571 HydrophobicContact CD1-CG 3.58Å; I565-P571 HydrophobicContact CG1-CG 3.94Å; I565-P571 HydrophobicContact CG2-CG 4.12Å; P571-V573 HydrophobicContact CB-CG2 4.49Å; P571-V573 HydrophobicContact CG-CG2 4.22Å; P571-G594 CarbonylContact O-C 3.55Å; P571-G594 WeakPolarHBondContact O-CA 3.13Å; P571-L595 PolarHBondContact O-N 3.25Å
572	I	98.8	Very high	97.8	Very high	75 Å²	75	43.1 Å²	43.1	39%	0.385	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	118.2	163.9	-58.5	172.8	0	0	0	107.9	G548 L549 I550 L595	G548-I572 PolarHBondContact O-N 3.37Å; L549-I572 CarbonylContact C-O 3.53Å; L549-I572 WeakPolarHBondContact CA-O 3.41Å; L549-I572 HydrophobicContact CD1-CB 3.81Å; L549-I572 HydrophobicContact CD1-CG2 3.6Å; I550-I572 PolarHBondContact N-O 3.15Å; I572-L595 CarbonylContact C-O 3.57Å; I572-L595 HydrophobicContact CG1-CB 4.49Å; I572-L595 HydrophobicContact CG2-CD2 4.37Å
573	V	98.9	Very high	97.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	107.5	179.1	-179.8	0	0	0	0	108.1	I550 I563 I565 P571 N576 I586 L595 I596 E597 N599	I550-V573 HydrophobicContact CB-CG2 4.43Å; I550-V573 HydrophobicContact CD1-CG2 4.29Å; I550-V573 CarbonylContact O-C 3.59Å; I550-V573 WeakPolarHBondContact O-CA 3.04Å; I563-V573 HydrophobicContact CD1-CG1 3.48Å; I563-V573 VanDerWaalsContact CD1-CG1 3.48Å; I563-V573 HydrophobicContact CD1-CG2 4.35Å; I563-V573 HydrophobicContact CG2-CG2 4.43Å; I565-V573 HydrophobicContact CD1-CG2 4.32Å; P571-V573 HydrophobicContact CB-CG2 4.49Å; P571-V573 HydrophobicContact CG-CG2 4.22Å; V573-N576 WeakPolarHBondContact CG1-ND2 3.32Å; V573-I586 HydrophobicContact CG1-CD1 4.32Å; V573-L595 PolarHBondContact N-O 2.83Å; V573-I596 HydrophobicContact CB-CG1 4.37Å; V573-I596 CarbonylContact O-C 3.47Å; V573-I596 WeakPolarHBondContact O-CA 3.48Å; V573-E597 PolarHBondContact O-N 3.19Å; V573-N599 PolarHBondContact O-ND2 2.91Å
574	R	98.7	Very high	97.4	Very high	82 Å²	82	44.8 Å²	44.8	31%	0.309	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	149.6	-177.3	72.1	-176.8	-170.3	-175.8	1.3	116.7	L549 I550 E551 G552 N576 E597 N599	L549-R574 HydrophobicContact CD1-CG 4.18Å; I550-R574 PolarHBondContact O-N 2.96Å; E551-R574 WeakPolarHBondContact CA-O 3.3Å; E551-R574 HydrophobicContact CB-CG 4Å; E551-R574 VanDerWaalsContact CD-NE 3.27Å; E551-R574 VanDerWaalsContact CD-NH2 3.29Å; E551-R574 HydrophobicContact CG-CG 4.08Å; E551-R574 IonicContact OE1-CZ 3.22Å; E551-R574 IonicContact OE1-NE 2.77Å; E551-R574 PolarHBondContact OE1-NE 3.11Å; E551-R574 IonicContact OE1-NH2 3.49Å; E551-R574 PolarHBondContact OE1-NH2 2.85Å; E551-R574 IonicContact OE2-CZ 2.73Å; E551-R574 IonicContact OE2-NE 3.35Å; E551-R574 IonicContact OE2-NH2 2.88Å; E551-R574 PolarHBondContact OE2-NH2 2.91Å; G552-R574 PolarHBondContact N-O 3.37Å; G552-R574 VanDerWaalsContact N-O 3.16Å; R574-N576 PolarHBondContact N-ND2 2.86Å; R574-N576 PolarHBondContact O-N 2.92Å; R574-N576 PolarHBondContact O-ND2 2.97Å; R574-E597 CarbonylContact C-O 3.6Å; R574-E597 WeakPolarHBondContact CA-O 3.32Å; R574-E597 HydrophobicContact CB-CB 4.35Å; R574-E597 VanDerWaalsContact CB-O 3.27Å; R574-E597 WeakPolarHBondContact CB-O 2.96Å; R574-N599 VanDerWaalsContact C-OD1 3.26Å; R574-N599 WeakPolarHBondContact CA-OD1 3.47Å
575	N	98.7	Very high	97.4	Very high	89 Å²	89	43.7 Å²	43.7	48%	0.476	21%	0.206	S	C	.	.	S	Bend	trans	57.5	23.3	173.1	-57.3	44.4	0	0	0	114.1	G552 E597 S598 N599	G552-N575 WeakPolarHBondContact CA-O 3.17Å; G552-N575 PolarHBondContact N-O 2.82Å; N575-E597 PolarHBondContact N-O 3.09Å; N575-E597 VanDerWaalsContact N-O 3.15Å; N575-S598 VanDerWaalsContact CA-O 3.23Å; N575-S598 WeakPolarHBondContact CA-O 3.45Å; N575-S598 PolarHBondContact N-O 3.02Å; N575-N599 PolarHBondContact N-OD1 2.99Å
576	N	98.8	Very high	97.4	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	21%	0.206	C	C	.	.			trans	-91.7	153.2	178.7	-54.2	-80	0	0	0	111	I550 G552 N553 V573 R574 I578 N599 E600	I550-N576 PolarHBondContact O-ND2 2.86Å; G552-N576 PolarHBondContact N-OD1 2.95Å; N553-N576 VanDerWaalsContact CB-OD1 3.32Å; N553-N576 WeakPolarHBondContact CB-OD1 3.4Å; N553-N576 PolarHBondContact N-OD1 3.06Å; N553-N576 PolarHBondContact ND2-OD1 3.35Å; N553-N576 CarbonylContact O-C 3.54Å; N553-N576 VanDerWaalsContact O-CA 3.31Å; N553-N576 WeakPolarHBondContact O-CA 3.35Å; N553-N576 WeakPolarHBondContact O-CB 3.4Å; V573-N576 WeakPolarHBondContact CG1-ND2 3.32Å; R574-N576 PolarHBondContact N-ND2 2.86Å; R574-N576 PolarHBondContact O-N 2.92Å; R574-N576 PolarHBondContact O-ND2 2.97Å; N576-I578 HydrophobicContact CB-CD1 4.47Å; N576-I578 HydrophobicContact CB-CG1 4.2Å; N576-N599 WeakPolarHBondContact CB-OD1 3.17Å; N576-N599 PolarHBondContact N-OD1 2.84Å; N576-N599 PolarHBondContact ND2-OD1 3.25Å; N576-N599 WeakPolarHBondContact O-CA 3.48Å; N576-E600 PolarHBondContact O-N 3Å
577	R	98.8	Very high	97.4	Very high	139 Å²	139	43.3 Å²	43.3	53%	0.525	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.4	165.3	-63.6	-176.8	-178.2	-148.4	-4.2	108.4	N553 I555 E600	N553-R577 PolarHBondContact O-N 2.71Å; I555-R577 PolarHBondContact N-O 3.03Å; R577-E600 WeakPolarHBondContact CA-O 3.3Å
578	I	98.6	Very high	97.5	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	105.7	-176.1	-52.8	171.9	0	0	0	109	I555 I563 N576 G585 I586 E600 V601 Y602 N604	I555-I578 HydrophobicContact CB-CG1 4.48Å; I555-I578 WeakPolarHBondContact O-CA 3.38Å; I563-I578 HydrophobicContact CD1-CD1 3.64Å; I563-I578 HydrophobicContact CG1-CD1 4.02Å; N576-I578 HydrophobicContact CB-CD1 4.47Å; N576-I578 HydrophobicContact CB-CG1 4.2Å; I578-G585 WeakPolarHBondContact CG2-O 3.25Å; I578-I586 HydrophobicContact CD1-CD1 3.72Å; I578-I586 HydrophobicContact CD1-CG1 3.5Å; I578-I586 VanDerWaalsContact CD1-CG1 3.5Å; I578-E600 PolarHBondContact N-O 3.38Å; I578-V601 HydrophobicContact CB-CG2 4.37Å; I578-V601 HydrophobicContact CD1-CG2 4.41Å; I578-V601 WeakPolarHBondContact O-CA 3.38Å; I578-Y602 PolarHBondContact O-N 3.31Å; I578-N604 PolarHBondContact O-ND2 3.17Å
579	H	98.2	Very high	97.5	Very high	21 Å²	21	39.2 Å²	39.2	10%	0.097	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	161.2	-166.5	66.5	66.2	0	0	0	116.4	D554 I555 Y556 G581 Y602	D554-H579 IonicContact OD1-CD2 3.39Å; D554-H579 IonicContact OD1-NE2 3.06Å; D554-H579 PolarHBondContact OD1-NE2 3.3Å; I555-H579 PolarHBondContact O-N 3.08Å; Y556-H579 WeakPolarHBondContact CA-O 3.14Å; Y556-H579 WeakPolarHBondContact CB-CE1 3.26Å; Y556-H579 WeakPolarHBondContact CB-ND1 3.3Å; Y556-H579 WeakPolarHBondContact CB-O 3.49Å; Y556-H579 AromaticContact CD1-CE1 3.84Å; Y556-H579 AromaticContact CG-CE1 3.57Å; H579-G581 PolarHBondContact O-N 2.9Å; H579-Y602 WeakPolarHBondContact CA-O 3.45Å; H579-Y602 HydrophobicContact CB-CD1 3.76Å; H579-Y602 HydrophobicContact CB-CD2 3.9Å; H579-Y602 HydrophobicContact CB-CE1 3.55Å; H579-Y602 HydrophobicContact CB-CE2 3.67Å; H579-Y602 HydrophobicContact CB-CG 3.94Å; H579-Y602 VanDerWaalsContact CB-CZ 3.49Å; H579-Y602 WeakPolarHBondContact CB-O 3.43Å; H579-Y602 AromaticContact CD2-CE1 3.64Å; H579-Y602 AromaticContact CD2-CZ 3.38Å; H579-Y602 PolarHBondContact CD2-OH 3Å; H579-Y602 AromaticContact CG-CE1 3.9Å; H579-Y602 AromaticContact CG-CE2 3.99Å; H579-Y602 AromaticContact CG-CZ 3.55Å; H579-Y602 PolarHBondContact NE2-OH 3.4Å
580	H	96.8	Very high	97.4	Very high	103 Å²	103	42.4 Å²	42.4	48%	0.477	20%	0.196	S	C	.	.	S	Bend	trans	53.8	27.2	173.3	-59.4	84.9	0	0	0	113.7	G557 Y602 M603 N604	G557-H580 WeakPolarHBondContact CA-O 3.39Å; G557-H580 PolarHBondContact N-O 3.45Å; H580-Y602 AromaticContact CE1-CE2 3.72Å; H580-Y602 PolarHBondContact N-O 3.44Å; H580-M603 WeakPolarHBondContact CA-O 3.49Å; H580-N604 PolarHBondContact N-OD1 3.03Å
581	G	94.1	Very high	97.4	Very high	7 Å²	7	46.3 Å²	46.3	7%	0.072	21%	0.205	C	C	.	.			trans	-80.4	156	172.1	0	0	0	0	0	111.9	H579 H583 N604 A605	H579-G581 PolarHBondContact O-N 2.9Å; G581-H583 VanDerWaalsContact C-N 3.25Å; G581-H583 PolarHBondContact O-N 2.88Å; G581-N604 PolarHBondContact N-OD1 2.98Å; G581-A605 PolarHBondContact O-N 3.43Å; G581-A605 VanDerWaalsContact O-N 3.07Å
582	Q	93.8	Very high	97.4	Very high	136 Å²	136	46.3 Å²	46.3	64%	0.636	21%	0.205	S	C	*	.	S	Bend	trans	-82.3	-4.4	178.3	-56	-178.9	20.4	0	0	113.1	N558 A605	N558-Q582 PolarHBondContact O-N 2.9Å; Q582-A605 WeakPolarHBondContact O-CB 3.38Å
583	H	94	Very high	97.4	Very high	39 Å²	39	49.2 Å²	49.2	18%	0.181	21%	0.211	C	C	.	.	S	Bend	trans	-123.6	-162	174.7	-160.8	-89.1	0	0	0	109.8	G581 N604 A605 L606	G581-H583 VanDerWaalsContact C-N 3.25Å; G581-H583 PolarHBondContact O-N 2.88Å; H583-N604 WeakPolarHBondContact O-CB 3.26Å; H583-A605 PolarHBondContact O-N 2.86Å; H583-L606 HydrophobicContact CB-CD1 4.43Å; H583-L606 VanDerWaalsContact CD2-CD1 3.44Å; H583-L606 WeakPolarHBondContact CD2-CD1 3.25Å; H583-L606 PolarHBondContact O-N 2.87Å
584	G	92.4	Very high	97.3	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.01	21%	0.214	C	C	.	.			trans	-68.7	160.7	172.8	0	0	0	0	0	113.7	A561 G562 A607	A561-G584 WeakPolarHBondContact CA-O 3.05Å; A561-G584 WeakPolarHBondContact CB-O 3.42Å; G562-G584 PolarHBondContact N-O 2.95Å; G584-A607 CarbonylContact C-O 3.56Å; G584-A607 WeakPolarHBondContact CA-O 3.49Å
585	G	97.6	Very high	97.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-69.1	-61.4	-179.3	0	0	0	0	0	112.2	G562 I563 I578 A607 G608	G562-G585 VanDerWaalsContact CA-O 3.31Å; G562-G585 WeakPolarHBondContact CA-O 3.25Å; G562-G585 PolarHBondContact N-O 3.19Å; I563-G585 PolarHBondContact N-O 3.17Å; I578-G585 WeakPolarHBondContact CG2-O 3.25Å; G585-A607 PolarHBondContact N-O 3.18Å; G585-A607 VanDerWaalsContact N-O 3.09Å; G585-G608 CarbonylContact C-O 3.6Å; G585-G608 WeakPolarHBondContact CA-O 3.29Å; G585-G608 PolarHBondContact N-O 2.97Å; G585-G608 VanDerWaalsContact N-O 3.07Å
586	I	98.4	Very high	97.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125	175.5	-54.7	174.5	0	0	0	109	I563 I565 V573 I578 V588 I596 V601 G608 I609 W610	I563-I586 HydrophobicContact CB-CG1 4.42Å; I563-I586 HydrophobicContact CB-CG2 4.44Å; I563-I586 CarbonylContact O-C 3.55Å; I563-I586 WeakPolarHBondContact O-CA 3.05Å; I565-I586 HydrophobicContact CD1-CG2 4.48Å; V573-I586 HydrophobicContact CG1-CD1 4.32Å; I578-I586 HydrophobicContact CD1-CD1 3.72Å; I578-I586 HydrophobicContact CD1-CG1 3.5Å; I578-I586 VanDerWaalsContact CD1-CG1 3.5Å; I586-V588 HydrophobicContact CG2-CG2 4.11Å; I586-I596 HydrophobicContact CD1-CG2 3.57Å; I586-I596 HydrophobicContact CG2-CD1 3.92Å; I586-V601 HydrophobicContact CD1-CG2 4.34Å; I586-G608 PolarHBondContact N-O 3.49Å; I586-I609 HydrophobicContact CB-CG1 4.25Å; I586-I609 HydrophobicContact CB-CG2 4.37Å; I586-I609 HydrophobicContact CD1-CD1 4.39Å; I586-I609 HydrophobicContact CD1-CG1 4.42Å; I586-I609 CarbonylContact O-C 3.57Å; I586-I609 VanDerWaalsContact O-CA 3.31Å; I586-I609 WeakPolarHBondContact O-CA 3.44Å; I586-W610 PolarHBondContact O-N 3.03Å
587	Y	98.2	Very high	97.3	Very high	39 Å²	39	44.8 Å²	44.8	15%	0.153	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	113.5	-179.9	-177.3	-147.3	0	0	0	111.6	I563 Q564 I565 H589 W610 T612	I563-Y587 PolarHBondContact O-N 2.88Å; Q564-Y587 CarbonylContact C-O 3.54Å; Q564-Y587 VanDerWaalsContact CA-O 3.31Å; Q564-Y587 WeakPolarHBondContact CA-O 3.23Å; Q564-Y587 HydrophobicContact CG-CD1 4.06Å; I565-Y587 PolarHBondContact N-O 3.44Å; Y587-H589 AromaticContact CD1-CD2 3.59Å; Y587-H589 AromaticContact CD1-NE2 3.97Å; Y587-H589 HydrophobicContact CE1-CB 4.32Å; Y587-H589 AromaticContact CE1-CD2 3.43Å; Y587-H589 VanDerWaalsContact CE1-CD2 3.43Å; Y587-H589 WeakPolarHBondContact CE1-CD2 3.47Å; Y587-H589 AromaticContact CE1-CG 3.9Å; Y587-H589 AromaticContact CE1-NE2 3.75Å; Y587-H589 HydrophobicContact CE2-CB 3.94Å; Y587-H589 AromaticContact CZ-CD2 3.8Å; Y587-H589 AromaticContact CZ-CG 3.85Å; Y587-W610 HydrophobicContact CD2-CB 3.8Å; Y587-W610 AromaticContact CD2-CD2 3.97Å; Y587-W610 HydrophobicContact CD2-CD2 3.97Å; Y587-W610 HydrophobicContact CD2-CE3 4.21Å; Y587-W610 AromaticContact CD2-CG 3.81Å; Y587-W610 HydrophobicContact CD2-CG 3.81Å; Y587-W610 WeakPolarHBondContact CD2-O 3.35Å; Y587-W610 HydrophobicContact CE2-CB 4.36Å; Y587-W610 AromaticContact CE2-CD2 3.73Å; Y587-W610 HydrophobicContact CE2-CD2 3.73Å; Y587-W610 HydrophobicContact CE2-CE3 4.09Å; Y587-W610 AromaticContact CE2-CG 3.86Å; Y587-W610 HydrophobicContact CE2-CG 3.86Å; Y587-T612 HydrophobicContact CE2-CG2 3.5Å; Y587-T612 WeakPolarHBondContact OH-CG2 3.48Å
588	V	98.5	Very high	97.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114	-178.4	-165.4	0	0	0	0	109	I565 I586 I596 W610 V611 T612 S615 P617	I565-V588 HydrophobicContact CB-CG1 4.2Å; I565-V588 HydrophobicContact CB-CG2 4.45Å; I565-V588 HydrophobicContact CD1-CG2 4.19Å; I565-V588 HydrophobicContact CG2-CG1 4.4Å; I565-V588 CarbonylContact O-C 3.53Å; I565-V588 WeakPolarHBondContact O-CA 3.31Å; I586-V588 HydrophobicContact CG2-CG2 4.11Å; V588-I596 HydrophobicContact CG2-CD1 4.06Å; V588-W610 PolarHBondContact N-O 3.25Å; V588-V611 CarbonylContact O-C 3.53Å; V588-V611 WeakPolarHBondContact O-CA 3.18Å; V588-T612 PolarHBondContact O-N 2.81Å; V588-S615 PolarHBondContact O-OG 3.02Å; V588-P617 HydrophobicContact CB-CG 4.45Å; V588-P617 HydrophobicContact CG1-CG 4.29Å; V588-P617 HydrophobicContact CG2-CG 4.24Å
589	H	97.8	Very high	97.3	Very high	13 Å²	13	40.6 Å²	40.6	6%	0.06	19%	0.186	C	C	.	.			trans	-140.5	172.9	-175.7	67	110.5	0	0	0	112.6	Q564 I565 R566 Y587 R591 G592 T612 S615	Q564-H589 WeakPolarHBondContact CG-NE2 3.24Å; Q564-H589 PolarHBondContact NE2-NE2 3.04Å; I565-H589 PolarHBondContact O-N 3.07Å; R566-H589 VanDerWaalsContact CA-O 3.25Å; R566-H589 WeakPolarHBondContact CA-O 3.44Å; R566-H589 PolarHBondContact NH1-CE1 2.96Å; Y587-H589 AromaticContact CD1-CD2 3.59Å; Y587-H589 AromaticContact CD1-NE2 3.97Å; Y587-H589 HydrophobicContact CE1-CB 4.32Å; Y587-H589 AromaticContact CE1-CD2 3.43Å; Y587-H589 VanDerWaalsContact CE1-CD2 3.43Å; Y587-H589 WeakPolarHBondContact CE1-CD2 3.47Å; Y587-H589 AromaticContact CE1-CG 3.9Å; Y587-H589 AromaticContact CE1-NE2 3.75Å; Y587-H589 HydrophobicContact CE2-CB 3.94Å; Y587-H589 AromaticContact CZ-CD2 3.8Å; Y587-H589 AromaticContact CZ-CG 3.85Å; H589-R591 PolarHBondContact O-N 2.99Å; H589-G592 PolarHBondContact O-N 3.06Å; H589-T612 WeakPolarHBondContact CA-O 3.32Å; H589-T612 HydrophobicContact CB-CG2 3.37Å; H589-S615 WeakPolarHBondContact CA-OG 3.46Å; H589-S615 PolarHBondContact N-OG 3.31Å; H589-S615 PolarHBondContact O-OG 3.46Å
590	E	97.8	Very high	97.4	Very high	66 Å²	66	41.8 Å²	41.8	31%	0.308	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	59.3	179	-64.5	-179.7	-174.8	0	0	114.5	R566 T567 N568 G592 T613	R566-E590 HydrophobicContact CB-CB 4.36Å; R566-E590 IonicContact CZ-OE1 3.56Å; R566-E590 VanDerWaalsContact CZ-OE1 3.26Å; R566-E590 IonicContact CZ-OE2 2.79Å; R566-E590 IonicContact NE-OE2 3.54Å; R566-E590 PolarHBondContact NE-OE2 3.1Å; R566-E590 IonicContact NH1-OE1 3.55Å; R566-E590 PolarHBondContact NH1-OE1 3.23Å; R566-E590 IonicContact NH1-OE2 2.68Å; R566-E590 PolarHBondContact NH1-OE2 3.33Å; R566-E590 IonicContact NH2-OE1 3.98Å; R566-E590 PolarHBondContact NH2-OE1 2.95Å; R566-E590 IonicContact NH2-OE2 2.76Å; R566-E590 PolarHBondContact NH2-OE2 3.41Å; T567-E590 VanDerWaalsContact CA-O 3.26Å; T567-E590 WeakPolarHBondContact CA-O 3.46Å; T567-E590 PolarHBondContact N-O 2.96Å; T567-E590 PolarHBondContact OG1-OE2 3.18Å; N568-E590 PolarHBondContact N-O 3.03Å; E590-G592 PolarHBondContact O-N 2.95Å; E590-T613 HydrophobicContact CG-CG2 4.46Å
591	R	98.3	Very high	97.4	Very high	160 Å²	160	37 Å²	37	60%	0.604	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	23.9	-178.8	-47.8	175.7	-167.7	151.7	5.2	114.1	N568 H589 T613 S615	N568-R591 WeakPolarHBondContact CA-O 3.36Å; N568-R591 WeakPolarHBondContact OD1-CB 3.45Å; N568-R591 WeakPolarHBondContact OD1-CD 3.38Å; H589-R591 PolarHBondContact O-N 2.99Å; R591-T613 PolarHBondContact N-O 2.98Å; R591-S615 PolarHBondContact N-OG 3.27Å
592	G	98.4	Very high	97.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	17%	0.174	C	C	.	.			trans	-59.6	146.3	171.7	0	0	0	0	0	111.8	H589 E590 S615 A616	H589-G592 PolarHBondContact O-N 3.06Å; E590-G592 PolarHBondContact O-N 2.95Å; G592-S615 PolarHBondContact N-OG 2.78Å; G592-S615 VanDerWaalsContact N-OG 3.1Å; G592-S615 CarbonylContact O-C 3.58Å; G592-S615 VanDerWaalsContact O-CA 3.29Å; G592-S615 WeakPolarHBondContact O-CA 3.44Å; G592-S615 VanDerWaalsContact O-CB 3.25Å; G592-S615 WeakPolarHBondContact O-CB 3.39Å; G592-A616 PolarHBondContact O-N 2.91Å
593	R	98.4	Very high	97.8	Very high	137 Å²	137	36.5 Å²	36.5	52%	0.517	16%	0.164	S	C	.	.			trans	-130.5	-151.4	179.3	-61.3	-176.8	-177.3	-179	-0.8	109	S569 D570	S569-R593 PolarHBondContact O-N 2.89Å; D570-R593 HydrophobicContact CB-CB 4.28Å
594	G	97.4	Very high	98	Very high	6 Å²	6	34.7 Å²	34.7	6%	0.062	16%	0.156	C	C	.	.			trans	112.5	161.9	178.8	0	0	0	0	0	113.7	D570 P571 P617 V618	D570-G594 WeakPolarHBondContact OD1-CA 3.32Å; D570-G594 PolarHBondContact OD1-N 2.91Å; P571-G594 CarbonylContact O-C 3.55Å; P571-G594 WeakPolarHBondContact O-CA 3.13Å; G594-P617 WeakPolarHBondContact O-CA 3.19Å; G594-V618 PolarHBondContact O-N 3.39Å
595	L	98.8	Very high	98.1	Very high	40 Å²	40	36.1 Å²	36.1	21%	0.209	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	117.2	171.6	175.4	63	0	0	0	108.8	P571 I572 V573 E597 V618 R620	P571-L595 PolarHBondContact O-N 3.25Å; I572-L595 CarbonylContact C-O 3.57Å; I572-L595 HydrophobicContact CG1-CB 4.49Å; I572-L595 HydrophobicContact CG2-CD2 4.37Å; V573-L595 PolarHBondContact N-O 2.83Å; L595-E597 HydrophobicContact CD1-CB 4.27Å; L595-E597 HydrophobicContact CG-CB 4.18Å; L595-V618 CarbonylContact C-O 3.55Å; L595-V618 WeakPolarHBondContact CA-O 3.37Å; L595-V618 HydrophobicContact CD1-CB 4.13Å; L595-V618 HydrophobicContact CD1-CG1 3.88Å; L595-R620 HydrophobicContact CD1-CG 4.35Å
596	I	98.8	Very high	98.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	101.3	176.7	-59.4	166.9	0	0	0	107.4	V573 I586 V588 N599 I609 P617 V618 M619 R620 N622	V573-I596 HydrophobicContact CB-CG1 4.37Å; V573-I596 CarbonylContact O-C 3.47Å; V573-I596 WeakPolarHBondContact O-CA 3.48Å; I586-I596 HydrophobicContact CD1-CG2 3.57Å; I586-I596 HydrophobicContact CG2-CD1 3.92Å; V588-I596 HydrophobicContact CG2-CD1 4.06Å; I596-N599 WeakPolarHBondContact CG2-ND2 3.47Å; I596-I609 HydrophobicContact CG2-CD1 4.16Å; I596-P617 HydrophobicContact CD1-CB 4.06Å; I596-V618 PolarHBondContact N-O 3.01Å; I596-M619 HydrophobicContact CB-CG 4.01Å; I596-M619 HydrophobicContact CD1-CG 3.95Å; I596-M619 HydrophobicContact CG1-CG 4.49Å; I596-M619 CarbonylContact O-C 3.54Å; I596-M619 VanDerWaalsContact O-CA 3.26Å; I596-M619 WeakPolarHBondContact O-CA 3.36Å; I596-R620 PolarHBondContact O-N 2.93Å; I596-N622 PolarHBondContact O-ND2 3.3Å
597	E	98.6	Very high	98	Very high	32 Å²	32	38.1 Å²	38.1	15%	0.15	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	135.9	-169.6	175.5	168.2	-132.8	0	0	114	V573 R574 N575 L595 N599 R620 Y621	V573-E597 PolarHBondContact O-N 3.19Å; R574-E597 CarbonylContact C-O 3.6Å; R574-E597 WeakPolarHBondContact CA-O 3.32Å; R574-E597 HydrophobicContact CB-CB 4.35Å; R574-E597 VanDerWaalsContact CB-O 3.27Å; R574-E597 WeakPolarHBondContact CB-O 2.96Å; N575-E597 PolarHBondContact N-O 3.09Å; N575-E597 VanDerWaalsContact N-O 3.15Å; L595-E597 HydrophobicContact CD1-CB 4.27Å; L595-E597 HydrophobicContact CG-CB 4.18Å; E597-N599 PolarHBondContact N-ND2 3.39Å; E597-N599 PolarHBondContact O-N 2.63Å; E597-N599 VanDerWaalsContact O-N 3.08Å; E597-N599 PolarHBondContact O-ND2 2.85Å; E597-N599 VanDerWaalsContact O-ND2 3.11Å; E597-R620 CarbonylContact C-O 3.58Å; E597-R620 WeakPolarHBondContact CA-O 3.07Å; E597-R620 HydrophobicContact CB-CG 4.16Å; E597-R620 VanDerWaalsContact CD-NH2 3.3Å; E597-R620 HydrophobicContact CG-CG 4.04Å; E597-R620 IonicContact OE1-CZ 2.98Å; E597-R620 IonicContact OE1-NE 3.2Å; E597-R620 PolarHBondContact OE1-NE 3.07Å; E597-R620 IonicContact OE1-NH2 3.93Å; E597-R620 PolarHBondContact OE1-NH2 2.98Å; E597-R620 IonicContact OE2-CZ 2.72Å; E597-R620 IonicContact OE2-NE 2.7Å; E597-R620 IonicContact OE2-NH2 3.05Å; E597-R620 PolarHBondContact OE2-NH2 3.01Å; E597-Y621 HydrophobicContact CG-CD2 4.23Å; E597-Y621 WeakPolarHBondContact OE1-CD2 3.38Å
598	S	98.7	Very high	98	Very high	50 Å²	50	36.4 Å²	36.4	35%	0.35	17%	0.173	S	C	.	.	S	Bend	trans	57.4	28.2	170.6	-57.7	0	0	0	0	115.2	N575 R620 Y621 N622	N575-S598 VanDerWaalsContact CA-O 3.23Å; N575-S598 WeakPolarHBondContact CA-O 3.45Å; N575-S598 PolarHBondContact N-O 3.02Å; S598-R620 PolarHBondContact N-O 2.89Å; S598-Y621 VanDerWaalsContact CA-O 3.27Å; S598-Y621 WeakPolarHBondContact CA-O 3.09Å; S598-N622 PolarHBondContact N-OD1 3.06Å
599	N	98.8	Very high	97.9	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.011	17%	0.173	C	C	.	.			trans	-90	151.1	175.8	-55.1	-81.5	0	0	0	111.4	V573 R574 N575 N576 I596 E597 V601 N622 R623	V573-N599 PolarHBondContact O-ND2 2.91Å; R574-N599 VanDerWaalsContact C-OD1 3.26Å; R574-N599 WeakPolarHBondContact CA-OD1 3.47Å; N575-N599 PolarHBondContact N-OD1 2.99Å; N576-N599 WeakPolarHBondContact CB-OD1 3.17Å; N576-N599 PolarHBondContact N-OD1 2.84Å; N576-N599 PolarHBondContact ND2-OD1 3.25Å; N576-N599 WeakPolarHBondContact O-CA 3.48Å; I596-N599 WeakPolarHBondContact CG2-ND2 3.47Å; E597-N599 PolarHBondContact N-ND2 3.39Å; E597-N599 PolarHBondContact O-N 2.63Å; E597-N599 VanDerWaalsContact O-N 3.08Å; E597-N599 PolarHBondContact O-ND2 2.85Å; E597-N599 VanDerWaalsContact O-ND2 3.11Å; N599-V601 HydrophobicContact CB-CG2 4.33Å; N599-N622 WeakPolarHBondContact CB-OD1 3.25Å; N599-N622 PolarHBondContact N-OD1 3.39Å; N599-N622 PolarHBondContact ND2-OD1 2.9Å; N599-N622 CarbonylContact O-C 3.39Å; N599-N622 WeakPolarHBondContact O-CA 3.07Å; N599-R623 PolarHBondContact O-N 2.85Å
600	E	98.8	Very high	98	Very high	47 Å²	47	37.8 Å²	37.8	22%	0.22	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	113.5	170.8	-170.4	169.8	-145.6	0	0	109.3	N576 R577 I578 Y602 R623 H625	N576-E600 PolarHBondContact O-N 3Å; R577-E600 WeakPolarHBondContact CA-O 3.3Å; I578-E600 PolarHBondContact N-O 3.38Å; E600-Y602 HydrophobicContact CG-CD1 3.9Å; E600-Y602 HydrophobicContact CG-CE1 4.16Å; E600-R623 WeakPolarHBondContact CA-O 3.49Å; E600-R623 IonicContact OE1-NH1 3.26Å; E600-R623 PolarHBondContact OE1-NH1 3.06Å; E600-H625 IonicContact OE1-NE2 2.9Å; E600-H625 PolarHBondContact OE1-NE2 3.17Å
601	V	98.8	Very high	98	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	115.4	-173.3	-175.9	0	0	0	0	109.8	I578 I586 N599 G608 R623 I624 H625	I578-V601 HydrophobicContact CB-CG2 4.37Å; I578-V601 HydrophobicContact CD1-CG2 4.41Å; I578-V601 WeakPolarHBondContact O-CA 3.38Å; I586-V601 HydrophobicContact CD1-CG2 4.34Å; N599-V601 HydrophobicContact CB-CG2 4.33Å; V601-G608 WeakPolarHBondContact CG1-O 3.22Å; V601-R623 PolarHBondContact N-O 2.67Å; V601-I624 HydrophobicContact CB-CG1 4.48Å; V601-I624 HydrophobicContact CB-CG2 4.39Å; V601-I624 CarbonylContact O-C 3.58Å; V601-I624 WeakPolarHBondContact O-CA 3.22Å; V601-H625 PolarHBondContact O-N 3.03Å
602	Y	98.4	Very high	98	Very high	43 Å²	43	27.1 Å²	27.1	17%	0.169	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	158.4	-172.1	66.1	-80.9	0	0	0	116.4	I578 H579 H580 E600 N604 H625	I578-Y602 PolarHBondContact O-N 3.31Å; H579-Y602 WeakPolarHBondContact CA-O 3.45Å; H579-Y602 HydrophobicContact CB-CD1 3.76Å; H579-Y602 HydrophobicContact CB-CD2 3.9Å; H579-Y602 HydrophobicContact CB-CE1 3.55Å; H579-Y602 HydrophobicContact CB-CE2 3.67Å; H579-Y602 HydrophobicContact CB-CG 3.94Å; H579-Y602 VanDerWaalsContact CB-CZ 3.49Å; H579-Y602 WeakPolarHBondContact CB-O 3.43Å; H579-Y602 AromaticContact CD2-CE1 3.64Å; H579-Y602 AromaticContact CD2-CZ 3.38Å; H579-Y602 PolarHBondContact CD2-OH 3Å; H579-Y602 AromaticContact CG-CE1 3.9Å; H579-Y602 AromaticContact CG-CE2 3.99Å; H579-Y602 AromaticContact CG-CZ 3.55Å; H579-Y602 PolarHBondContact NE2-OH 3.4Å; H580-Y602 AromaticContact CE1-CE2 3.72Å; H580-Y602 PolarHBondContact N-O 3.44Å; E600-Y602 HydrophobicContact CG-CD1 3.9Å; E600-Y602 HydrophobicContact CG-CE1 4.16Å; Y602-N604 PolarHBondContact O-N 2.82Å; Y602-N604 PolarHBondContact O-ND2 2.77Å; Y602-H625 WeakPolarHBondContact CA-O 3.17Å; Y602-H625 VanDerWaalsContact CB-CE1 3.44Å; Y602-H625 WeakPolarHBondContact CB-CE1 3.37Å; Y602-H625 WeakPolarHBondContact CB-O 3.28Å; Y602-H625 AromaticContact CG-CE1 3.79Å; Y602-H625 AromaticContact CG-NE2 3.99Å
603	M	97.1	Very high	97.9	Very high	90 Å²	90	29.8 Å²	29.8	44%	0.443	15%	0.151	S	C	.	.	S	Bend	trans	56.3	20.3	174.7	-62.7	-72	-172.6	0	0	115.1	H580 S626	H580-M603 WeakPolarHBondContact CA-O 3.49Å; M603-S626 VanDerWaalsContact CA-O 3.27Å; M603-S626 WeakPolarHBondContact CA-O 3.14Å; M603-S626 PolarHBondContact N-O 3.05Å; M603-S626 VanDerWaalsContact SD-O 3.4Å
604	N	97.1	Very high	97.9	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.011	14%	0.143	C	C	.	.			trans	-79.1	150.3	173.9	-65.6	-58.4	0	0	0	110.4	I578 H580 G581 H583 Y602 R628	I578-N604 PolarHBondContact O-ND2 3.17Å; H580-N604 PolarHBondContact N-OD1 3.03Å; G581-N604 PolarHBondContact N-OD1 2.98Å; H583-N604 WeakPolarHBondContact O-CB 3.26Å; Y602-N604 PolarHBondContact O-N 2.82Å; Y602-N604 PolarHBondContact O-ND2 2.77Å; N604-R628 PolarHBondContact O-N 3.3Å
605	A	96.2	Very high	98	Very high	31 Å²	31	24.6 Å²	24.6	26%	0.256	14%	0.14	S	C	.	.	S	Bend	trans	-75	-29	-172.1	0	0	0	0	0	113.9	G581 Q582 H583	G581-A605 PolarHBondContact O-N 3.43Å; G581-A605 VanDerWaalsContact O-N 3.07Å; Q582-A605 WeakPolarHBondContact O-CB 3.38Å; H583-A605 PolarHBondContact O-N 2.86Å
606	L	95.9	Very high	98	Very high	41 Å²	41	24.7 Å²	24.7	22%	0.215	15%	0.147	C	C	.	.	S	Bend	trans	-109.1	-153.9	173.9	-52.3	179.2	0	0	0	111	H583 W610	H583-L606 HydrophobicContact CB-CD1 4.43Å; H583-L606 VanDerWaalsContact CD2-CD1 3.44Å; H583-L606 WeakPolarHBondContact CD2-CD1 3.25Å; H583-L606 PolarHBondContact O-N 2.87Å; L606-W610 HydrophobicContact CD1-CZ3 4.42Å
607	A	96.7	Very high	97.9	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.008	15%	0.147	C	C	.	.			trans	-61.1	142.9	-180	0	0	0	0	0	112.6	G584 G585 W610 V630	G584-A607 CarbonylContact C-O 3.56Å; G584-A607 WeakPolarHBondContact CA-O 3.49Å; G585-A607 PolarHBondContact N-O 3.18Å; G585-A607 VanDerWaalsContact N-O 3.09Å; A607-W610 HydrophobicContact CB-CB 4.18Å; A607-V630 CarbonylContact C-O 3.53Å; A607-V630 WeakPolarHBondContact CA-O 3.14Å; A607-V630 HydrophobicContact CB-CB 4.4Å
608	G	97.8	Very high	98	Very high	3 Å²	3	25.7 Å²	25.7	3%	0.031	16%	0.155	C	C	.	.	S	Bend	trans	-58.9	-56.8	176.2	0	0	0	0	0	111.4	G585 I586 V601 V630 G631	G585-G608 CarbonylContact C-O 3.6Å; G585-G608 WeakPolarHBondContact CA-O 3.29Å; G585-G608 PolarHBondContact N-O 2.97Å; G585-G608 VanDerWaalsContact N-O 3.07Å; I586-G608 PolarHBondContact N-O 3.49Å; V601-G608 WeakPolarHBondContact CG1-O 3.22Å; G608-V630 PolarHBondContact N-O 2.79Å; G608-G631 CarbonylContact C-O 3.53Å; G608-G631 WeakPolarHBondContact CA-O 3.44Å; G608-G631 PolarHBondContact N-O 3.33Å
609	I	98.4	Very high	98	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.8	168	-55.4	-179	0	0	0	108.8	I586 I596 V611 M619 I624 G631 V632 Y633	I586-I609 HydrophobicContact CB-CG1 4.25Å; I586-I609 HydrophobicContact CB-CG2 4.37Å; I586-I609 HydrophobicContact CD1-CD1 4.39Å; I586-I609 HydrophobicContact CD1-CG1 4.42Å; I586-I609 CarbonylContact O-C 3.57Å; I586-I609 VanDerWaalsContact O-CA 3.31Å; I586-I609 WeakPolarHBondContact O-CA 3.44Å; I596-I609 HydrophobicContact CG2-CD1 4.16Å; I609-V611 HydrophobicContact CG2-CG2 4.16Å; I609-M619 HydrophobicContact CD1-CG 4.38Å; I609-M619 HydrophobicContact CD1-SD 4.27Å; I609-M619 HydrophobicContact CG2-SD 3.78Å; I609-I624 HydrophobicContact CD1-CD1 3.49Å; I609-I624 VanDerWaalsContact CD1-CD1 3.49Å; I609-I624 HydrophobicContact CD1-CG1 4.35Å; I609-I624 HydrophobicContact CG1-CD1 3.89Å; I609-G631 PolarHBondContact N-O 3.42Å; I609-V632 HydrophobicContact CB-CG1 4.43Å; I609-V632 HydrophobicContact CB-CG2 4.37Å; I609-V632 CarbonylContact O-C 3.52Å; I609-V632 VanDerWaalsContact O-CA 3.3Å; I609-V632 WeakPolarHBondContact O-CA 3.48Å; I609-Y633 PolarHBondContact O-N 3.38Å
610	W	98	Very high	98	Very high	41 Å²	41	26.8 Å²	26.8	16%	0.155	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	120.9	177.3	-174.7	0.1	0	0	0	109.9	I586 Y587 V588 L606 A607 Y633 Y635	I586-W610 PolarHBondContact O-N 3.03Å; Y587-W610 HydrophobicContact CD2-CB 3.8Å; Y587-W610 AromaticContact CD2-CD2 3.97Å; Y587-W610 HydrophobicContact CD2-CD2 3.97Å; Y587-W610 HydrophobicContact CD2-CE3 4.21Å; Y587-W610 AromaticContact CD2-CG 3.81Å; Y587-W610 HydrophobicContact CD2-CG 3.81Å; Y587-W610 WeakPolarHBondContact CD2-O 3.35Å; Y587-W610 HydrophobicContact CE2-CB 4.36Å; Y587-W610 AromaticContact CE2-CD2 3.73Å; Y587-W610 HydrophobicContact CE2-CD2 3.73Å; Y587-W610 HydrophobicContact CE2-CE3 4.09Å; Y587-W610 AromaticContact CE2-CG 3.86Å; Y587-W610 HydrophobicContact CE2-CG 3.86Å; V588-W610 PolarHBondContact N-O 3.25Å; L606-W610 HydrophobicContact CD1-CZ3 4.42Å; A607-W610 HydrophobicContact CB-CB 4.18Å; W610-Y633 WeakPolarHBondContact CA-O 3.31Å; W610-Y633 AromaticContact CD1-CD1 3.73Å; W610-Y633 HydrophobicContact CD2-CD1 4.19Å; W610-Y633 AromaticContact CE2-CD1 3.87Å; W610-Y633 HydrophobicContact CG-CD1 4.14Å; W610-Y633 HydrophobicContact CZ2-CD1 4.47Å; W610-Y633 HydrophobicContact CZ2-CE1 4.4Å; W610-Y633 AromaticContact NE1-CD1 3.58Å; W610-Y635 HydrophobicContact CZ2-CD1 4.33Å
611	V	98.6	Very high	98	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.3	178.9	-172.9	0	0	0	0	109.9	V588 I609 P617 M619 Y633 F634 Y635 N639	V588-V611 CarbonylContact O-C 3.53Å; V588-V611 WeakPolarHBondContact O-CA 3.18Å; I609-V611 HydrophobicContact CG2-CG2 4.16Å; V611-P617 HydrophobicContact CG1-CG 4.12Å; V611-P617 HydrophobicContact CG2-CG 3.78Å; V611-M619 HydrophobicContact CG2-CE 4.33Å; V611-M619 HydrophobicContact CG2-SD 4.13Å; V611-Y633 PolarHBondContact N-O 3.11Å; V611-F634 HydrophobicContact CB-CD1 3.79Å; V611-F634 HydrophobicContact CB-CE1 4.07Å; V611-F634 HydrophobicContact CG1-CD1 4.18Å; V611-F634 HydrophobicContact CG1-CE1 4.39Å; V611-F634 HydrophobicContact CG2-CD1 4.19Å; V611-F634 HydrophobicContact CG2-CE1 3.97Å; V611-F634 WeakPolarHBondContact O-CA 3.49Å; V611-Y635 PolarHBondContact O-N 3.11Å; V611-N639 WeakPolarHBondContact CG1-O 3.35Å
612	T	98.3	Very high	98	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.012	16%	0.163	C	C	.	.			trans	-147.4	167.9	-176	-167.8	0	0	0	0	114.8	Y587 V588 H589 G614 S615 Y635	Y587-T612 HydrophobicContact CE2-CG2 3.5Å; Y587-T612 WeakPolarHBondContact OH-CG2 3.48Å; V588-T612 PolarHBondContact O-N 2.81Å; H589-T612 WeakPolarHBondContact CA-O 3.32Å; H589-T612 HydrophobicContact CB-CG2 3.37Å; T612-G614 PolarHBondContact O-N 2.95Å; T612-S615 WeakPolarHBondContact O-CB 3.42Å; T612-S615 PolarHBondContact O-N 2.86Å; T612-S615 VanDerWaalsContact O-N 3.15Å; T612-S615 PolarHBondContact O-OG 3.29Å; T612-Y635 WeakPolarHBondContact CA-O 3.34Å; T612-Y635 WeakPolarHBondContact OG1-CD1 3.47Å; T612-Y635 PolarHBondContact OG1-O 3.41Å
613	T	97.5	Very high	98	Very high	56 Å²	56	33 Å²	33	34%	0.344	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	53.5	165.4	-43.5	0	0	0	0	112	E590 R591 S615 D636	E590-T613 HydrophobicContact CG-CG2 4.46Å; R591-T613 PolarHBondContact N-O 2.98Å; T613-S615 VanDerWaalsContact C-N 3.25Å; T613-S615 PolarHBondContact O-N 3.15Å; T613-D636 VanDerWaalsContact CA-O 3.23Å; T613-D636 WeakPolarHBondContact CA-O 3.39Å; T613-D636 PolarHBondContact N-O 3.39Å; T613-D636 PolarHBondContact OG1-OD2 2.84Å
614	G	97.5	Very high	98	Very high	35 Å²	35	28.7 Å²	28.7	36%	0.361	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	10.3	178.5	0	0	0	0	0	115.3	T612 D636 N637	T612-G614 PolarHBondContact O-N 2.95Å; G614-D636 PolarHBondContact N-O 2.87Å; G614-N637 WeakPolarHBondContact CA-O 3.14Å; G614-N637 PolarHBondContact N-O 2.75Å
615	S	98.7	Very high	98.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.156	C	C	.	.			trans	-70.7	150.3	178.5	-61.2	0	0	0	0	112.3	V588 H589 R591 G592 T612 T613 N639	V588-S615 PolarHBondContact O-OG 3.02Å; H589-S615 WeakPolarHBondContact CA-OG 3.46Å; H589-S615 PolarHBondContact N-OG 3.31Å; H589-S615 PolarHBondContact O-OG 3.46Å; R591-S615 PolarHBondContact N-OG 3.27Å; G592-S615 PolarHBondContact N-OG 2.78Å; G592-S615 VanDerWaalsContact N-OG 3.1Å; G592-S615 CarbonylContact O-C 3.58Å; G592-S615 VanDerWaalsContact O-CA 3.29Å; G592-S615 WeakPolarHBondContact O-CA 3.44Å; G592-S615 VanDerWaalsContact O-CB 3.25Å; G592-S615 WeakPolarHBondContact O-CB 3.39Å; T612-S615 WeakPolarHBondContact O-CB 3.42Å; T612-S615 PolarHBondContact O-N 2.86Å; T612-S615 VanDerWaalsContact O-N 3.15Å; T612-S615 PolarHBondContact O-OG 3.29Å; T613-S615 VanDerWaalsContact C-N 3.25Å; T613-S615 PolarHBondContact O-N 3.15Å; S615-N639 CarbonylContact O-C 3.6Å; S615-N639 PolarHBondContact O-N 2.92Å
616	A	98.5	Very high	98.1	Very high	41 Å²	41	29.4 Å²	29.4	34%	0.339	15%	0.153	S	C	.	.			trans	-149.2	69.9	-176.3	0	0	0	0	0	112.3	G592 N639	G592-A616 PolarHBondContact O-N 2.91Å; A616-N639 HydrophobicContact CB-CB 4.25Å
617	P	98.7	Very high	97.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.145	C	C	.	.			trans	-75.8	162.6	174.6	33.1	-34.8	0	0	0	112.3	V588 G594 I596 V611 M619 G640 L641	V588-P617 HydrophobicContact CB-CG 4.45Å; V588-P617 HydrophobicContact CG1-CG 4.29Å; V588-P617 HydrophobicContact CG2-CG 4.24Å; G594-P617 WeakPolarHBondContact O-CA 3.19Å; I596-P617 HydrophobicContact CD1-CB 4.06Å; V611-P617 HydrophobicContact CG1-CG 4.12Å; V611-P617 HydrophobicContact CG2-CG 3.78Å; P617-M619 HydrophobicContact CB-CG 4.46Å; P617-M619 HydrophobicContact CG-CE 3.97Å; P617-M619 HydrophobicContact CG-CG 4.35Å; P617-M619 HydrophobicContact CG-SD 4.09Å; P617-G640 VanDerWaalsContact O-CA 3.23Å; P617-G640 WeakPolarHBondContact O-CA 3.43Å; P617-L641 PolarHBondContact O-N 2.82Å
618	V	98.8	Very high	97.8	Very high	53 Å²	53	35.2 Å²	35.2	32%	0.321	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	119.7	165	177.1	0	0	0	0	108.1	G594 L595 I596 L641	G594-V618 PolarHBondContact O-N 3.39Å; L595-V618 CarbonylContact C-O 3.55Å; L595-V618 WeakPolarHBondContact CA-O 3.37Å; L595-V618 HydrophobicContact CD1-CB 4.13Å; L595-V618 HydrophobicContact CD1-CG1 3.88Å; I596-V618 PolarHBondContact N-O 3.01Å; V618-L641 HydrophobicContact CG1-CB 4.45Å; V618-L641 HydrophobicContact CG1-CD2 4.21Å; V618-L641 HydrophobicContact CG2-CB 4.43Å
619	M	98.8	Very high	97.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	114.5	-176	-65.4	158.8	-68.8	0	0	109.8	I596 I609 V611 P617 V632 F634 L641 L642 E643 N645	I596-M619 HydrophobicContact CB-CG 4.01Å; I596-M619 HydrophobicContact CD1-CG 3.95Å; I596-M619 HydrophobicContact CG1-CG 4.49Å; I596-M619 CarbonylContact O-C 3.54Å; I596-M619 VanDerWaalsContact O-CA 3.26Å; I596-M619 WeakPolarHBondContact O-CA 3.36Å; I609-M619 HydrophobicContact CD1-CG 4.38Å; I609-M619 HydrophobicContact CD1-SD 4.27Å; I609-M619 HydrophobicContact CG2-SD 3.78Å; V611-M619 HydrophobicContact CG2-CE 4.33Å; V611-M619 HydrophobicContact CG2-SD 4.13Å; P617-M619 HydrophobicContact CB-CG 4.46Å; P617-M619 HydrophobicContact CG-CE 3.97Å; P617-M619 HydrophobicContact CG-CG 4.35Å; P617-M619 HydrophobicContact CG-SD 4.09Å; M619-V632 HydrophobicContact SD-CG1 4.47Å; M619-F634 HydrophobicContact CE-CE1 3.8Å; M619-F634 HydrophobicContact CE-CZ 3.61Å; M619-L641 PolarHBondContact N-O 3.03Å; M619-L642 HydrophobicContact CB-CD1 3.79Å; M619-L642 HydrophobicContact CE-CB 4.2Å; M619-L642 HydrophobicContact CE-CD1 4.26Å; M619-L642 WeakPolarHBondContact O-CA 3.37Å; M619-L642 HydrophobicContact SD-CD1 4.26Å; M619-E643 PolarHBondContact O-N 3.25Å; M619-N645 PolarHBondContact O-ND2 2.9Å
620	R	98.7	Very high	97.5	Very high	76 Å²	76	37.7 Å²	37.7	29%	0.287	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	150.6	-179	65.7	-177.1	-170.4	-169.3	-0.5	116.3	L595 I596 E597 S598 N622 E643 N645	L595-R620 HydrophobicContact CD1-CG 4.35Å; I596-R620 PolarHBondContact O-N 2.93Å; E597-R620 CarbonylContact C-O 3.58Å; E597-R620 WeakPolarHBondContact CA-O 3.07Å; E597-R620 HydrophobicContact CB-CG 4.16Å; E597-R620 VanDerWaalsContact CD-NH2 3.3Å; E597-R620 HydrophobicContact CG-CG 4.04Å; E597-R620 IonicContact OE1-CZ 2.98Å; E597-R620 IonicContact OE1-NE 3.2Å; E597-R620 PolarHBondContact OE1-NE 3.07Å; E597-R620 IonicContact OE1-NH2 3.93Å; E597-R620 PolarHBondContact OE1-NH2 2.98Å; E597-R620 IonicContact OE2-CZ 2.72Å; E597-R620 IonicContact OE2-NE 2.7Å; E597-R620 IonicContact OE2-NH2 3.05Å; E597-R620 PolarHBondContact OE2-NH2 3.01Å; S598-R620 PolarHBondContact N-O 2.89Å; R620-N622 PolarHBondContact N-ND2 2.83Å; R620-N622 VanDerWaalsContact N-ND2 3.19Å; R620-N622 PolarHBondContact O-N 2.91Å; R620-N622 PolarHBondContact O-ND2 3.02Å; R620-N622 VanDerWaalsContact O-ND2 3.11Å; R620-E643 WeakPolarHBondContact CA-O 3.39Å; R620-E643 HydrophobicContact CB-CB 4.35Å; R620-E643 WeakPolarHBondContact CB-O 3.49Å; R620-N645 VanDerWaalsContact C-OD1 3.29Å; R620-N645 WeakPolarHBondContact CA-OD1 3.22Å
621	Y	98.7	Very high	97.5	Very high	120 Å²	120	35.7 Å²	35.7	47%	0.471	18%	0.177	S	C	.	.	S	Bend	trans	55.8	19.2	178.3	-49.4	-59.8	0	0	0	114.8	E597 S598 E643 E644 N645	E597-Y621 HydrophobicContact CG-CD2 4.23Å; E597-Y621 WeakPolarHBondContact OE1-CD2 3.38Å; S598-Y621 VanDerWaalsContact CA-O 3.27Å; S598-Y621 WeakPolarHBondContact CA-O 3.09Å; Y621-E643 PolarHBondContact N-O 2.76Å; Y621-E644 WeakPolarHBondContact CA-O 3.31Å; Y621-E644 HydrophobicContact CD1-CB 3.59Å; Y621-E644 HydrophobicContact CD1-CG 4.5Å; Y621-E644 HydrophobicContact CE1-CB 3.39Å; Y621-E644 HydrophobicContact CE1-CG 3.81Å; Y621-E644 PolarHBondContact N-O 3.03Å; Y621-E644 VanDerWaalsContact N-O 3.15Å; Y621-N645 PolarHBondContact N-OD1 3.28Å
622	N	98.8	Very high	97.5	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.011	18%	0.177	C	C	.	.			trans	-83.9	150	178	-55.4	-80	0	0	0	110.5	I596 S598 N599 R620 I624 N645 E646	I596-N622 PolarHBondContact O-ND2 3.3Å; S598-N622 PolarHBondContact N-OD1 3.06Å; N599-N622 WeakPolarHBondContact CB-OD1 3.25Å; N599-N622 PolarHBondContact N-OD1 3.39Å; N599-N622 PolarHBondContact ND2-OD1 2.9Å; N599-N622 CarbonylContact O-C 3.39Å; N599-N622 WeakPolarHBondContact O-CA 3.07Å; R620-N622 PolarHBondContact N-ND2 2.83Å; R620-N622 VanDerWaalsContact N-ND2 3.19Å; R620-N622 PolarHBondContact O-N 2.91Å; R620-N622 PolarHBondContact O-ND2 3.02Å; R620-N622 VanDerWaalsContact O-ND2 3.11Å; N622-I624 HydrophobicContact CB-CD1 4.31Å; N622-I624 HydrophobicContact CB-CG1 4.08Å; N622-N645 WeakPolarHBondContact CA-OD1 3.21Å; N622-N645 VanDerWaalsContact CB-OD1 3.24Å; N622-N645 WeakPolarHBondContact CB-OD1 3.07Å; N622-N645 PolarHBondContact N-OD1 2.98Å; N622-N645 PolarHBondContact ND2-OD1 3.14Å; N622-N645 WeakPolarHBondContact O-CA 3.46Å; N622-N645 WeakPolarHBondContact O-CB 3.16Å; N622-E646 PolarHBondContact O-N 2.96Å
623	R	98.8	Very high	97.5	Very high	99 Å²	99	36.1 Å²	36.1	37%	0.374	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	106.5	173.3	-161.4	179.7	179.2	-114.1	1	108.6	N599 E600 V601 H625 E646 F648	N599-R623 PolarHBondContact O-N 2.85Å; E600-R623 WeakPolarHBondContact CA-O 3.49Å; E600-R623 IonicContact OE1-NH1 3.26Å; E600-R623 PolarHBondContact OE1-NH1 3.06Å; V601-R623 PolarHBondContact N-O 2.67Å; R623-H625 PolarHBondContact NH1-NE2 2.9Å; R623-E646 WeakPolarHBondContact CA-O 3.26Å; R623-E646 HydrophobicContact CG-CB 4.28Å; R623-E646 IonicContact NE-OE2 3.13Å; R623-F648 HydrophobicContact CG-CE1 3.76Å; R623-F648 HydrophobicContact CG-CZ 4.29Å; R623-F648 VanDerWaalsContact NH2-CZ 3.32Å
624	I	98.6	Very high	97.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	108	-171	-51.9	170	0	0	0	108.2	V601 I609 N622 V632 E646 I647 F648 H650	V601-I624 HydrophobicContact CB-CG1 4.48Å; V601-I624 HydrophobicContact CB-CG2 4.39Å; V601-I624 CarbonylContact O-C 3.58Å; V601-I624 WeakPolarHBondContact O-CA 3.22Å; I609-I624 HydrophobicContact CD1-CD1 3.49Å; I609-I624 VanDerWaalsContact CD1-CD1 3.49Å; I609-I624 HydrophobicContact CD1-CG1 4.35Å; I609-I624 HydrophobicContact CG1-CD1 3.89Å; N622-I624 HydrophobicContact CB-CD1 4.31Å; N622-I624 HydrophobicContact CB-CG1 4.08Å; I624-V632 HydrophobicContact CD1-CG2 3.46Å; I624-V632 VanDerWaalsContact CD1-CG2 3.46Å; I624-E646 PolarHBondContact N-O 2.94Å; I624-I647 HydrophobicContact CB-CG1 4.42Å; I624-I647 HydrophobicContact CD1-CG1 4.32Å; I624-I647 VanDerWaalsContact O-CA 3.3Å; I624-I647 WeakPolarHBondContact O-CA 3.19Å; I624-F648 PolarHBondContact O-N 3.29Å; I624-H650 PolarHBondContact O-NE2 2.87Å
625	H	98.2	Very high	97.6	Very high	19 Å²	19	34.5 Å²	34.5	9%	0.088	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	163.9	-169.4	68.8	87.9	0	0	0	116.2	E600 V601 Y602 R623 G627 F648 H650	E600-H625 IonicContact OE1-NE2 2.9Å; E600-H625 PolarHBondContact OE1-NE2 3.17Å; V601-H625 PolarHBondContact O-N 3.03Å; Y602-H625 WeakPolarHBondContact CA-O 3.17Å; Y602-H625 VanDerWaalsContact CB-CE1 3.44Å; Y602-H625 WeakPolarHBondContact CB-CE1 3.37Å; Y602-H625 WeakPolarHBondContact CB-O 3.28Å; Y602-H625 AromaticContact CG-CE1 3.79Å; Y602-H625 AromaticContact CG-NE2 3.99Å; R623-H625 PolarHBondContact NH1-NE2 2.9Å; H625-G627 PolarHBondContact O-N 3.31Å; H625-F648 CarbonylContact C-O 3.53Å; H625-F648 WeakPolarHBondContact CA-O 3.4Å; H625-F648 HydrophobicContact CB-CD1 3.85Å; H625-F648 HydrophobicContact CB-CD2 3.72Å; H625-F648 HydrophobicContact CB-CE1 3.54Å; H625-F648 HydrophobicContact CB-CE2 3.37Å; H625-F648 HydrophobicContact CB-CG 3.92Å; H625-F648 HydrophobicContact CB-CZ 3.24Å; H625-F648 VanDerWaalsContact CB-O 3.29Å; H625-F648 WeakPolarHBondContact CB-O 3.28Å; H625-F648 AromaticContact CD2-CZ 3.7Å; H625-F648 AromaticContact CG-CE2 3.76Å; H625-F648 AromaticContact CG-CZ 3.4Å; H625-F648 VanDerWaalsContact CG-CZ 3.4Å; H625-H650 WeakPolarHBondContact CA-NE2 3.45Å
626	S	95.9	Very high	97.5	Very high	29 Å²	29	37 Å²	37	20%	0.203	17%	0.169	C	C	.	.	S	Bend	trans	56.3	28.4	170.7	-51.1	0	0	0	0	113.8	M603 F648 N649	M603-S626 VanDerWaalsContact CA-O 3.27Å; M603-S626 WeakPolarHBondContact CA-O 3.14Å; M603-S626 PolarHBondContact N-O 3.05Å; M603-S626 VanDerWaalsContact SD-O 3.4Å; S626-F648 PolarHBondContact N-O 3.07Å; S626-F648 VanDerWaalsContact N-O 3.12Å; S626-N649 VanDerWaalsContact CA-O 3.26Å; S626-N649 WeakPolarHBondContact CA-O 3.44Å; S626-N649 PolarHBondContact N-O 3.43Å
627	G	92.7	Very high	97.5	Very high	5 Å²	5	38.8 Å²	38.8	5%	0.052	17%	0.173	C	C	.	.			trans	-78.7	154.7	176.1	0	0	0	0	0	111.7	H625 Q629 H650 Q651	H625-G627 PolarHBondContact O-N 3.31Å; G627-Q629 VanDerWaalsContact C-N 3.27Å; G627-Q629 PolarHBondContact O-N 3.15Å; G627-H650 WeakPolarHBondContact CA-ND1 2.96Å; G627-H650 PolarHBondContact N-ND1 3.47Å; G627-H650 VanDerWaalsContact N-ND1 3.17Å; G627-Q651 PolarHBondContact O-N 2.82Å; G627-Q651 VanDerWaalsContact O-N 3.13Å
628	R	93.1	Very high	97.4	Very high	159 Å²	159	38.8 Å²	38.8	60%	0.6	17%	0.173	S	C	*	.	S	Bend	trans	-79.7	-6.5	177.6	-61.2	-169.6	-178	-143.1	1.2	113.9	N604 Q651	N604-R628 PolarHBondContact O-N 3.3Å; R628-Q651 WeakPolarHBondContact O-CB 3.42Å
629	Q	94.7	Very high	97.4	Very high	49 Å²	49	38.6 Å²	38.6	23%	0.229	17%	0.17	C	C	.	.	S	Bend	trans	-132.1	-127	174.5	-67.6	-171	-16.9	0	0	111.3	G627 H650 Q651 Y652	G627-Q629 VanDerWaalsContact C-N 3.27Å; G627-Q629 PolarHBondContact O-N 3.15Å; Q629-H650 WeakPolarHBondContact O-CB 3.34Å; Q629-Q651 PolarHBondContact O-N 3.37Å; Q629-Y652 HydrophobicContact CB-CD2 3.87Å; Q629-Y652 HydrophobicContact CB-CE2 4.12Å; Q629-Y652 HydrophobicContact CG-CD2 4.16Å; Q629-Y652 HydrophobicContact CG-CE2 3.87Å; Q629-Y652 PolarHBondContact O-N 3.43Å
630	V	96.8	Very high	97.3	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.03	18%	0.179	C	C	.	.			trans	-85.7	148.8	-176.8	-175	0	0	0	0	110.3	A607 G608 V632 Y652 S653 Q656	A607-V630 CarbonylContact C-O 3.53Å; A607-V630 WeakPolarHBondContact CA-O 3.14Å; A607-V630 HydrophobicContact CB-CB 4.4Å; G608-V630 PolarHBondContact N-O 2.79Å; V630-V632 WeakPolarHBondContact CG1-O 3.4Å; V630-Y652 HydrophobicContact CG2-CD2 4.18Å; V630-S653 WeakPolarHBondContact CA-O 3.22Å; V630-S653 WeakPolarHBondContact CG1-O 3.16Å; V630-Q656 HydrophobicContact CG1-CB 3.95Å; V630-Q656 HydrophobicContact CG1-CG 3.72Å; V630-Q656 VanDerWaalsContact CG2-CD 3.4Å; V630-Q656 HydrophobicContact CG2-CG 3.95Å
631	G	97.8	Very high	97.3	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-66.9	-64.9	171.8	0	0	0	0	0	112.7	G608 I609 H650 S653 G654	G608-G631 CarbonylContact C-O 3.53Å; G608-G631 WeakPolarHBondContact CA-O 3.44Å; G608-G631 PolarHBondContact N-O 3.33Å; I609-G631 PolarHBondContact N-O 3.42Å; G631-H650 VanDerWaalsContact CA-CD2 3.47Å; G631-H650 WeakPolarHBondContact CA-CD2 3.22Å; G631-H650 VanDerWaalsContact CA-CE1 3.46Å; G631-H650 WeakPolarHBondContact CA-CE1 3.23Å; G631-H650 VanDerWaalsContact CA-NE2 3.31Å; G631-H650 WeakPolarHBondContact CA-NE2 3.35Å; G631-S653 PolarHBondContact N-O 2.66Å; G631-S653 VanDerWaalsContact N-O 3.15Å; G631-G654 CarbonylContact C-O 3.59Å; G631-G654 WeakPolarHBondContact CA-O 3.32Å; G631-G654 PolarHBondContact N-O 3.07Å; G631-G654 VanDerWaalsContact N-O 3.12Å
632	V	98.5	Very high	97.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	126.5	175.7	-176	0	0	0	0	110.2	I609 M619 I624 V630 F634 L642 I647 G654 V655 Q656	I609-V632 HydrophobicContact CB-CG1 4.43Å; I609-V632 HydrophobicContact CB-CG2 4.37Å; I609-V632 CarbonylContact O-C 3.52Å; I609-V632 VanDerWaalsContact O-CA 3.3Å; I609-V632 WeakPolarHBondContact O-CA 3.48Å; M619-V632 HydrophobicContact SD-CG1 4.47Å; I624-V632 HydrophobicContact CD1-CG2 3.46Å; I624-V632 VanDerWaalsContact CD1-CG2 3.46Å; V630-V632 WeakPolarHBondContact CG1-O 3.4Å; V632-F634 HydrophobicContact CG1-CD2 4.16Å; V632-F634 HydrophobicContact CG1-CE2 3.53Å; V632-F634 HydrophobicContact CG1-CZ 3.85Å; V632-L642 HydrophobicContact CB-CD2 4.25Å; V632-L642 HydrophobicContact CG1-CD1 4.49Å; V632-L642 HydrophobicContact CG1-CD2 4.19Å; V632-L642 HydrophobicContact CG2-CD1 4.15Å; V632-L642 HydrophobicContact CG2-CD2 4.23Å; V632-I647 HydrophobicContact CG2-CD1 3.74Å; V632-I647 HydrophobicContact CG2-CG1 4.45Å; V632-G654 PolarHBondContact N-O 2.87Å; V632-V655 HydrophobicContact CB-CG2 4.43Å; V632-V655 CarbonylContact O-C 3.57Å; V632-V655 WeakPolarHBondContact O-CA 3.49Å; V632-Q656 PolarHBondContact O-N 3.09Å
633	Y	98.2	Very high	97.3	Very high	11 Å²	11	34 Å²	34	4%	0.043	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	116.8	-176.4	-171.4	-157.4	0	0	0	112.6	I609 W610 V611 Q656 R658 Y681	I609-Y633 PolarHBondContact O-N 3.38Å; W610-Y633 WeakPolarHBondContact CA-O 3.31Å; W610-Y633 AromaticContact CD1-CD1 3.73Å; W610-Y633 HydrophobicContact CD2-CD1 4.19Å; W610-Y633 AromaticContact CE2-CD1 3.87Å; W610-Y633 HydrophobicContact CG-CD1 4.14Å; W610-Y633 HydrophobicContact CZ2-CD1 4.47Å; W610-Y633 HydrophobicContact CZ2-CE1 4.4Å; W610-Y633 AromaticContact NE1-CD1 3.58Å; V611-Y633 PolarHBondContact N-O 3.11Å; Y633-Q656 HydrophobicContact CD2-CB 3.55Å; Y633-Q656 HydrophobicContact CE2-CB 3.79Å; Y633-R658 HydrophobicContact CE2-CG 4.15Å; Y633-R658 VanDerWaalsContact OH-CD 3.28Å; Y633-R658 WeakPolarHBondContact OH-CD 3.47Å; Y633-R658 PolarHBondContact OH-NE 2.98Å; Y633-R658 PolarHBondContact OH-NH1 2.85Å; Y633-R658 PolarHBondContact OH-NH2 2.86Å; Y633-Y681 PolarHBondContact OH-OH 3.44Å
634	F	98.6	Very high	97.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	117.6	170.6	-60.5	-87.2	0	0	0	110.1	V611 M619 V632 N639 L642 V655 Q656 I657 R658 S661 P663	V611-F634 HydrophobicContact CB-CD1 3.79Å; V611-F634 HydrophobicContact CB-CE1 4.07Å; V611-F634 HydrophobicContact CG1-CD1 4.18Å; V611-F634 HydrophobicContact CG1-CE1 4.39Å; V611-F634 HydrophobicContact CG2-CD1 4.19Å; V611-F634 HydrophobicContact CG2-CE1 3.97Å; V611-F634 WeakPolarHBondContact O-CA 3.49Å; M619-F634 HydrophobicContact CE-CE1 3.8Å; M619-F634 HydrophobicContact CE-CZ 3.61Å; V632-F634 HydrophobicContact CG1-CD2 4.16Å; V632-F634 HydrophobicContact CG1-CE2 3.53Å; V632-F634 HydrophobicContact CG1-CZ 3.85Å; F634-N639 WeakPolarHBondContact CE1-O 3.48Å; F634-L642 HydrophobicContact CE2-CD2 4.27Å; F634-L642 HydrophobicContact CZ-CB 4.31Å; F634-V655 HydrophobicContact CD2-CG1 4.4Å; F634-V655 HydrophobicContact CE2-CG1 4.35Å; F634-Q656 PolarHBondContact N-O 3.38Å; F634-I657 HydrophobicContact CD2-CG1 4.13Å; F634-R658 PolarHBondContact O-N 3.38Å; F634-S661 PolarHBondContact O-OG 3.17Å; F634-P663 HydrophobicContact CB-CG 4.29Å; F634-P663 HydrophobicContact CD1-CB 3.75Å; F634-P663 HydrophobicContact CD1-CG 4Å; F634-P663 HydrophobicContact CD2-CB 4.06Å; F634-P663 HydrophobicContact CD2-CG 3.67Å; F634-P663 HydrophobicContact CE1-CB 3.54Å; F634-P663 HydrophobicContact CE1-CG 4.2Å; F634-P663 HydrophobicContact CE2-CB 3.84Å; F634-P663 HydrophobicContact CE2-CG 3.86Å; F634-P663 HydrophobicContact CG-CB 3.99Å; F634-P663 HydrophobicContact CG-CG 3.73Å; F634-P663 HydrophobicContact CZ-CB 3.57Å; F634-P663 HydrophobicContact CZ-CG 4.12Å
635	Y	97.5	Very high	97.3	Very high	56 Å²	56	33 Å²	33	22%	0.22	16%	0.162	C	C	.	.			trans	-132.4	152.4	-176.8	176.1	-129.6	0	0	0	111.2	W610 V611 T612 N637 G638 R658 T659 S661 T911	W610-Y635 HydrophobicContact CZ2-CD1 4.33Å; V611-Y635 PolarHBondContact O-N 3.11Å; T612-Y635 WeakPolarHBondContact CA-O 3.34Å; T612-Y635 WeakPolarHBondContact OG1-CD1 3.47Å; T612-Y635 PolarHBondContact OG1-O 3.41Å; Y635-N637 PolarHBondContact O-N 2.89Å; Y635-G638 WeakPolarHBondContact O-CA 3.43Å; Y635-G638 PolarHBondContact O-N 2.68Å; Y635-R658 HydrophobicContact CD2-CG 3.63Å; Y635-R658 VanDerWaalsContact CD2-CZ 3.49Å; Y635-R658 HydrophobicContact CE2-CG 4.36Å; Y635-R658 VanDerWaalsContact CZ-NH2 3.34Å; Y635-T659 HydrophobicContact CE2-CG2 4.34Å; Y635-S661 VanDerWaalsContact C-OG 3.27Å; Y635-S661 WeakPolarHBondContact CA-OG 3.07Å; Y635-S661 PolarHBondContact N-OG 3.03Å; Y635-T911 HydrophobicContact CE1-CG2 4.21Å
636	D	97.1	Very high	97.3	Very high	52 Å²	52	35.9 Å²	35.9	28%	0.278	18%	0.175	S	C	.	.	S	Bend	trans	46.2	65.4	169.3	-178.7	38	0	0	0	113.4	T613 G614 G638	T613-D636 VanDerWaalsContact CA-O 3.23Å; T613-D636 WeakPolarHBondContact CA-O 3.39Å; T613-D636 PolarHBondContact N-O 3.39Å; T613-D636 PolarHBondContact OG1-OD2 2.84Å; G614-D636 PolarHBondContact N-O 2.87Å; D636-G638 PolarHBondContact O-N 2.96Å
637	N	97.8	Very high	97.5	Very high	80 Å²	80	34.5 Å²	34.5	43%	0.428	17%	0.166	S	C	.	.	S	Bend	trans	59.2	30.7	-175.6	-50.5	-77.5	0	0	0	113.6	G614 Y635 N639 T659	G614-N637 WeakPolarHBondContact CA-O 3.14Å; G614-N637 PolarHBondContact N-O 2.75Å; Y635-N637 PolarHBondContact O-N 2.89Å; N637-N639 PolarHBondContact O-N 2.79Å; N637-N639 PolarHBondContact O-ND2 2.81Å; N637-T659 PolarHBondContact N-O 2.89Å
638	G	98.1	Very high	97.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.166	C	C	.	.			trans	-70.8	120.9	170.3	0	0	0	0	0	110.2	Y635 D636 S661	Y635-G638 WeakPolarHBondContact O-CA 3.43Å; Y635-G638 PolarHBondContact O-N 2.68Å; D636-G638 PolarHBondContact O-N 2.96Å; G638-S661 PolarHBondContact N-OG 2.94Å; G638-S661 VanDerWaalsContact N-OG 3.16Å; G638-S661 WeakPolarHBondContact O-CA 3.4Å; G638-S661 WeakPolarHBondContact O-CB 3.46Å; G638-S661 PolarHBondContact O-OG 2.81Å
639	N	97.3	Very high	97.9	Very high	48 Å²	48	31.2 Å²	31.2	26%	0.257	16%	0.159	S	C	.	.			trans	-124.7	-165	-175.5	-61	-48.5	0	0	0	110.1	V611 S615 A616 F634 N637 N662	V611-N639 WeakPolarHBondContact CG1-O 3.35Å; S615-N639 CarbonylContact O-C 3.6Å; S615-N639 PolarHBondContact O-N 2.92Å; A616-N639 HydrophobicContact CB-CB 4.25Å; F634-N639 WeakPolarHBondContact CE1-O 3.48Å; N637-N639 PolarHBondContact O-N 2.79Å; N637-N639 PolarHBondContact O-ND2 2.81Å; N639-N662 WeakPolarHBondContact OD1-CA 3.19Å; N639-N662 PolarHBondContact OD1-N 2.98Å; N639-N662 PolarHBondContact OD1-O 2.79Å
640	G	97.6	Very high	97.9	Very high	19 Å²	19	29 Å²	29	20%	0.196	15%	0.148	C	C	.	.			trans	119.4	-175	176.1	0	0	0	0	0	112.5	P617 P663 H664	P617-G640 VanDerWaalsContact O-CA 3.23Å; P617-G640 WeakPolarHBondContact O-CA 3.43Å; G640-P663 WeakPolarHBondContact O-CA 3.49Å; G640-H664 PolarHBondContact O-N 2.86Å
641	L	98.8	Very high	97.8	Very high	45 Å²	45	33.1 Å²	33.1	24%	0.236	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	123.8	-179.7	177.9	62.6	0	0	0	108.8	P617 V618 M619 E643 H664 I666	P617-L641 PolarHBondContact O-N 2.82Å; V618-L641 HydrophobicContact CG1-CB 4.45Å; V618-L641 HydrophobicContact CG1-CD2 4.21Å; V618-L641 HydrophobicContact CG2-CB 4.43Å; M619-L641 PolarHBondContact N-O 3.03Å; L641-E643 HydrophobicContact CD1-CB 4.22Å; L641-E643 HydrophobicContact CD2-CB 4.37Å; L641-E643 HydrophobicContact CG-CB 4.02Å; L641-H664 WeakPolarHBondContact CA-O 3.4Å; L641-H664 HydrophobicContact CD1-CB 4.08Å; L641-I666 HydrophobicContact CD1-CG2 3.7Å
642	L	98.8	Very high	97.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	102.1	171.3	-177.1	68.1	0	0	0	107.4	M619 V632 F634 N645 I647 V655 H664 V665 I666 N668	M619-L642 HydrophobicContact CB-CD1 3.79Å; M619-L642 HydrophobicContact CE-CB 4.2Å; M619-L642 HydrophobicContact CE-CD1 4.26Å; M619-L642 WeakPolarHBondContact O-CA 3.37Å; M619-L642 HydrophobicContact SD-CD1 4.26Å; V632-L642 HydrophobicContact CB-CD2 4.25Å; V632-L642 HydrophobicContact CG1-CD1 4.49Å; V632-L642 HydrophobicContact CG1-CD2 4.19Å; V632-L642 HydrophobicContact CG2-CD1 4.15Å; V632-L642 HydrophobicContact CG2-CD2 4.23Å; F634-L642 HydrophobicContact CE2-CD2 4.27Å; F634-L642 HydrophobicContact CZ-CB 4.31Å; L642-N645 HydrophobicContact CD1-CB 4.37Å; L642-N645 WeakPolarHBondContact CD1-ND2 3.46Å; L642-I647 HydrophobicContact CD1-CD1 4.48Å; L642-I647 HydrophobicContact CD2-CD1 3.88Å; L642-V655 HydrophobicContact CD2-CG2 4.04Å; L642-H664 PolarHBondContact N-O 3.32Å; L642-V665 HydrophobicContact CB-CG2 4.27Å; L642-V665 HydrophobicContact CD2-CG1 4.03Å; L642-V665 HydrophobicContact CD2-CG2 4.21Å; L642-V665 CarbonylContact O-C 3.55Å; L642-V665 WeakPolarHBondContact O-CA 3.37Å; L642-I666 PolarHBondContact O-N 2.98Å; L642-N668 PolarHBondContact O-ND2 3.43Å
643	E	98.7	Very high	97.5	Very high	37 Å²	37	36.5 Å²	36.5	17%	0.173	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.7	-169.1	173.9	177.4	-145.1	0	0	112.6	M619 R620 Y621 L641 N645 I666 R667	M619-E643 PolarHBondContact O-N 3.25Å; R620-E643 WeakPolarHBondContact CA-O 3.39Å; R620-E643 HydrophobicContact CB-CB 4.35Å; R620-E643 WeakPolarHBondContact CB-O 3.49Å; Y621-E643 PolarHBondContact N-O 2.76Å; L641-E643 HydrophobicContact CD1-CB 4.22Å; L641-E643 HydrophobicContact CD2-CB 4.37Å; L641-E643 HydrophobicContact CG-CB 4.02Å; E643-N645 VanDerWaalsContact C-N 3.32Å; E643-N645 VanDerWaalsContact C-ND2 3.3Å; E643-N645 PolarHBondContact N-ND2 3.18Å; E643-N645 VanDerWaalsContact N-ND2 3.15Å; E643-N645 PolarHBondContact O-N 3.35Å; E643-N645 PolarHBondContact O-ND2 3.03Å; E643-I666 WeakPolarHBondContact CA-O 3Å; E643-I666 HydrophobicContact CB-CG2 3.77Å; E643-I666 HydrophobicContact CG-CG2 3.92Å; E643-R667 IonicContact OE1-CZ 3.76Å; E643-R667 IonicContact OE1-NH2 2.7Å; E643-R667 PolarHBondContact OE1-NH2 3.21Å
644	E	98.8	Very high	97.5	Very high	77 Å²	77	36.1 Å²	36.1	36%	0.36	18%	0.179	S	C	.	.	S	Bend	trans	58.6	36.6	170.3	-60	-82	-175.9	0	0	114.3	Y621 I666 R667 N668	Y621-E644 WeakPolarHBondContact CA-O 3.31Å; Y621-E644 HydrophobicContact CD1-CB 3.59Å; Y621-E644 HydrophobicContact CD1-CG 4.5Å; Y621-E644 HydrophobicContact CE1-CB 3.39Å; Y621-E644 HydrophobicContact CE1-CG 3.81Å; Y621-E644 PolarHBondContact N-O 3.03Å; Y621-E644 VanDerWaalsContact N-O 3.15Å; E644-I666 PolarHBondContact N-O 3.28Å; E644-I666 VanDerWaalsContact N-O 3.11Å; E644-R667 VanDerWaalsContact CA-O 3.3Å; E644-R667 WeakPolarHBondContact CA-O 3.3Å; E644-R667 HydrophobicContact CG-CB 4.1Å; E644-R667 WeakPolarHBondContact OE1-CD 3.29Å; E644-R667 IonicContact OE1-NE 3.37Å; E644-R667 PolarHBondContact OE1-NE 3.12Å; E644-R667 VanDerWaalsContact OE1-NE 3.08Å; E644-N668 PolarHBondContact N-OD1 3.04Å
645	N	98.8	Very high	97.5	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.011	18%	0.179	C	C	.	.			trans	-102	153.9	177.6	-54.9	-90.4	0	0	0	112	M619 R620 Y621 N622 L642 E643 I647 N668 K669	M619-N645 PolarHBondContact O-ND2 2.9Å; R620-N645 VanDerWaalsContact C-OD1 3.29Å; R620-N645 WeakPolarHBondContact CA-OD1 3.22Å; Y621-N645 PolarHBondContact N-OD1 3.28Å; N622-N645 WeakPolarHBondContact CA-OD1 3.21Å; N622-N645 VanDerWaalsContact CB-OD1 3.24Å; N622-N645 WeakPolarHBondContact CB-OD1 3.07Å; N622-N645 PolarHBondContact N-OD1 2.98Å; N622-N645 PolarHBondContact ND2-OD1 3.14Å; N622-N645 WeakPolarHBondContact O-CA 3.46Å; N622-N645 WeakPolarHBondContact O-CB 3.16Å; L642-N645 HydrophobicContact CD1-CB 4.37Å; L642-N645 WeakPolarHBondContact CD1-ND2 3.46Å; E643-N645 VanDerWaalsContact C-N 3.32Å; E643-N645 VanDerWaalsContact C-ND2 3.3Å; E643-N645 PolarHBondContact N-ND2 3.18Å; E643-N645 VanDerWaalsContact N-ND2 3.15Å; E643-N645 PolarHBondContact O-N 3.35Å; E643-N645 PolarHBondContact O-ND2 3.03Å; N645-I647 HydrophobicContact CB-CD1 4.48Å; N645-I647 HydrophobicContact CB-CG1 4.28Å; N645-N668 VanDerWaalsContact CB-OD1 3.28Å; N645-N668 WeakPolarHBondContact CB-OD1 3.26Å; N645-N668 PolarHBondContact N-OD1 3.26Å; N645-N668 PolarHBondContact ND2-OD1 3.35Å; N645-N668 WeakPolarHBondContact O-CA 3.08Å; N645-N668 WeakPolarHBondContact O-CB 3.24Å; N645-K669 PolarHBondContact O-N 3.3Å
646	E	98.8	Very high	97.5	Very high	79 Å²	79	33.9 Å²	33.9	37%	0.369	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	114.7	170.1	-69.8	-175.6	-177.7	0	0	109.7	N622 R623 I624 F648 W671	N622-E646 PolarHBondContact O-N 2.96Å; R623-E646 WeakPolarHBondContact CA-O 3.26Å; R623-E646 HydrophobicContact CG-CB 4.28Å; R623-E646 IonicContact NE-OE2 3.13Å; I624-E646 PolarHBondContact N-O 2.94Å; E646-F648 HydrophobicContact CB-CD1 4.36Å; E646-F648 HydrophobicContact CB-CE1 4.38Å; E646-W671 HydrophobicContact CB-CH2 3.93Å; E646-W671 HydrophobicContact CB-CZ3 3.98Å; E646-W671 HydrophobicContact CG-CH2 4.2Å; E646-W671 HydrophobicContact CG-CZ3 4.27Å
647	I	98.7	Very high	97.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	111.9	-174.3	-53.7	169.9	0	0	0	109.7	I624 V632 L642 N645 G654 V655 K669 I670 W671	I624-I647 HydrophobicContact CB-CG1 4.42Å; I624-I647 HydrophobicContact CD1-CG1 4.32Å; I624-I647 VanDerWaalsContact O-CA 3.3Å; I624-I647 WeakPolarHBondContact O-CA 3.19Å; V632-I647 HydrophobicContact CG2-CD1 3.74Å; V632-I647 HydrophobicContact CG2-CG1 4.45Å; L642-I647 HydrophobicContact CD1-CD1 4.48Å; L642-I647 HydrophobicContact CD2-CD1 3.88Å; N645-I647 HydrophobicContact CB-CD1 4.48Å; N645-I647 HydrophobicContact CB-CG1 4.28Å; I647-G654 WeakPolarHBondContact CG2-O 3.31Å; I647-V655 HydrophobicContact CD1-CG2 3.74Å; I647-K669 PolarHBondContact N-O 2.67Å; I647-I670 HydrophobicContact CB-CG1 4.43Å; I647-I670 HydrophobicContact CD1-CG1 4.44Å; I647-I670 VanDerWaalsContact O-CA 3.32Å; I647-I670 WeakPolarHBondContact O-CA 3.44Å; I647-W671 PolarHBondContact O-N 2.99Å
648	F	98.2	Very high	97.5	Very high	11 Å²	11	28.4 Å²	28.4	5%	0.048	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	161.2	-170.7	64.4	-84.7	0	0	0	118.2	R623 I624 H625 S626 E646 H650 W671	R623-F648 HydrophobicContact CG-CE1 3.76Å; R623-F648 HydrophobicContact CG-CZ 4.29Å; R623-F648 VanDerWaalsContact NH2-CZ 3.32Å; I624-F648 PolarHBondContact O-N 3.29Å; H625-F648 CarbonylContact C-O 3.53Å; H625-F648 WeakPolarHBondContact CA-O 3.4Å; H625-F648 HydrophobicContact CB-CD1 3.85Å; H625-F648 HydrophobicContact CB-CD2 3.72Å; H625-F648 HydrophobicContact CB-CE1 3.54Å; H625-F648 HydrophobicContact CB-CE2 3.37Å; H625-F648 HydrophobicContact CB-CG 3.92Å; H625-F648 HydrophobicContact CB-CZ 3.24Å; H625-F648 VanDerWaalsContact CB-O 3.29Å; H625-F648 WeakPolarHBondContact CB-O 3.28Å; H625-F648 AromaticContact CD2-CZ 3.7Å; H625-F648 AromaticContact CG-CE2 3.76Å; H625-F648 AromaticContact CG-CZ 3.4Å; H625-F648 VanDerWaalsContact CG-CZ 3.4Å; S626-F648 PolarHBondContact N-O 3.07Å; S626-F648 VanDerWaalsContact N-O 3.12Å; E646-F648 HydrophobicContact CB-CD1 4.36Å; E646-F648 HydrophobicContact CB-CE1 4.38Å; F648-H650 VanDerWaalsContact C-N 3.29Å; F648-H650 PolarHBondContact O-CD2 2.83Å; F648-H650 PolarHBondContact O-N 3.07Å; F648-W671 CarbonylContact C-O 3.52Å; F648-W671 WeakPolarHBondContact CA-O 3.24Å; F648-W671 HydrophobicContact CB-CD2 3.39Å; F648-W671 HydrophobicContact CB-CE3 3.79Å; F648-W671 HydrophobicContact CB-CG 3.86Å; F648-W671 HydrophobicContact CB-CH2 3.96Å; F648-W671 HydrophobicContact CB-CZ2 3.57Å; F648-W671 HydrophobicContact CB-CZ3 4.04Å; F648-W671 VanDerWaalsContact CB-O 3.24Å; F648-W671 WeakPolarHBondContact CB-O 3.31Å; F648-W671 AromaticContact CD1-CE2 3.96Å; F648-W671 HydrophobicContact CD1-CE3 4.45Å; F648-W671 AromaticContact CD1-CH2 3.21Å; F648-W671 HydrophobicContact CD1-CH2 3.21Å; F648-W671 AromaticContact CD1-CZ2 3.29Å; F648-W671 HydrophobicContact CD1-CZ2 3.29Å; F648-W671 AromaticContact CD1-CZ3 3.82Å; F648-W671 HydrophobicContact CD1-CZ3 3.82Å; F648-W671 AromaticContact CD2-CZ2 3.79Å; F648-W671 HydrophobicContact CD2-CZ2 3.79Å; F648-W671 AromaticContact CE1-CH2 3.82Å; F648-W671 HydrophobicContact CE1-CH2 3.82Å; F648-W671 AromaticContact CE1-CZ2 3.9Å; F648-W671 HydrophobicContact CE1-CZ2 3.9Å; F648-W671 HydrophobicContact CE2-CZ2 4.36Å; F648-W671 HydrophobicContact CG-CD2 4.1Å; F648-W671 AromaticContact CG-CE2 3.47Å; F648-W671 VanDerWaalsContact CG-CE2 3.47Å; F648-W671 HydrophobicContact CG-CE3 4.42Å; F648-W671 AromaticContact CG-CH2 3.66Å; F648-W671 HydrophobicContact CG-CH2 3.66Å; F648-W671 AromaticContact CG-CZ2 3.25Å; F648-W671 HydrophobicContact CG-CZ2 3.25Å; F648-W671 HydrophobicContact CG-CZ3 4.21Å; F648-W671 AromaticContact CG-NE1 3.92Å; F648-W671 HydrophobicContact CZ-CZ2 4.42Å
649	N	96.3	Very high	97.4	Very high	85 Å²	85	30.9 Å²	30.9	46%	0.455	16%	0.156	S	C	.	.			trans	55.6	38.8	174.7	-64.4	-12.1	0	0	0	114.1	S626 W671 G672	S626-N649 VanDerWaalsContact CA-O 3.26Å; S626-N649 WeakPolarHBondContact CA-O 3.44Å; S626-N649 PolarHBondContact N-O 3.43Å; N649-W671 PolarHBondContact N-O 3.31Å; N649-W671 VanDerWaalsContact N-O 3.11Å; N649-G672 WeakPolarHBondContact CA-O 3.44Å
650	H	95.5	Very high	97.4	Very high	2 Å²	2	30 Å²	30	1%	0.009	16%	0.158	C	C	.	.			trans	-87.4	146.3	175.5	-73.3	-69.7	0	0	0	111	I624 H625 G627 Q629 G631 F648 Y652 K674	I624-H650 PolarHBondContact O-NE2 2.87Å; H625-H650 WeakPolarHBondContact CA-NE2 3.45Å; G627-H650 WeakPolarHBondContact CA-ND1 2.96Å; G627-H650 PolarHBondContact N-ND1 3.47Å; G627-H650 VanDerWaalsContact N-ND1 3.17Å; Q629-H650 WeakPolarHBondContact O-CB 3.34Å; G631-H650 VanDerWaalsContact CA-CD2 3.47Å; G631-H650 WeakPolarHBondContact CA-CD2 3.22Å; G631-H650 VanDerWaalsContact CA-CE1 3.46Å; G631-H650 WeakPolarHBondContact CA-CE1 3.23Å; G631-H650 VanDerWaalsContact CA-NE2 3.31Å; G631-H650 WeakPolarHBondContact CA-NE2 3.35Å; F648-H650 VanDerWaalsContact C-N 3.29Å; F648-H650 PolarHBondContact O-CD2 2.83Å; F648-H650 PolarHBondContact O-N 3.07Å; H650-Y652 PolarHBondContact O-N 2.87Å; H650-K674 PolarHBondContact O-N 2.83Å
651	Q	93.9	Very high	97.5	Very high	91 Å²	91	29.1 Å²	29.1	43%	0.425	15%	0.149	S	C	.	.	S	Bend	trans	-67.9	-20.6	178.8	-67.6	-168.5	29.4	0	0	113.4	G627 R628 Q629 K674	G627-Q651 PolarHBondContact O-N 2.82Å; G627-Q651 VanDerWaalsContact O-N 3.13Å; R628-Q651 WeakPolarHBondContact O-CB 3.42Å; Q629-Q651 PolarHBondContact O-N 3.37Å; Q651-K674 WeakPolarHBondContact O-CB 3.35Å
652	Y	94.7	Very high	97.4	Very high	72 Å²	72	30.6 Å²	30.6	28%	0.282	16%	0.157	S	C	.	.	S	Bend	trans	-110.4	-134.6	169.7	-63	-23.7	0	0	0	110.8	Q629 V630 H650 G673 K674 N675	Q629-Y652 HydrophobicContact CB-CD2 3.87Å; Q629-Y652 HydrophobicContact CB-CE2 4.12Å; Q629-Y652 HydrophobicContact CG-CD2 4.16Å; Q629-Y652 HydrophobicContact CG-CE2 3.87Å; Q629-Y652 PolarHBondContact O-N 3.43Å; V630-Y652 HydrophobicContact CG2-CD2 4.18Å; H650-Y652 PolarHBondContact O-N 2.87Å; Y652-G673 CarbonylContact O-C 3.55Å; Y652-G673 WeakPolarHBondContact O-CA 3.45Å; Y652-K674 PolarHBondContact O-N 2.84Å; Y652-N675 WeakPolarHBondContact CD1-ND2 3.4Å; Y652-N675 PolarHBondContact O-N 3.31Å
653	S	95.7	Very high	97.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.157	C	C	.	.			trans	-86.3	156.2	178.9	-39.7	0	0	0	0	110.7	V630 G631 Q656 N675 G676	V630-S653 WeakPolarHBondContact CA-O 3.22Å; V630-S653 WeakPolarHBondContact CG1-O 3.16Å; G631-S653 PolarHBondContact N-O 2.66Å; G631-S653 VanDerWaalsContact N-O 3.15Å; S653-Q656 PolarHBondContact OG-NE2 3.3Å; S653-N675 PolarHBondContact OG-O 2.86Å; S653-G676 VanDerWaalsContact CA-O 3.22Å; S653-G676 WeakPolarHBondContact CA-O 3.25Å
654	G	97.5	Very high	97.4	Very high	2 Å²	2	32.1 Å²	32.1	2%	0.021	16%	0.164	C	C	.	.	S	Bend	trans	-63.6	-51.4	171.4	0	0	0	0	0	111.8	G631 V632 I647 G676 G677	G631-G654 CarbonylContact C-O 3.59Å; G631-G654 WeakPolarHBondContact CA-O 3.32Å; G631-G654 PolarHBondContact N-O 3.07Å; G631-G654 VanDerWaalsContact N-O 3.12Å; V632-G654 PolarHBondContact N-O 2.87Å; I647-G654 WeakPolarHBondContact CG2-O 3.31Å; G654-G676 PolarHBondContact N-O 2.93Å; G654-G677 CarbonylContact C-O 3.58Å; G654-G677 VanDerWaalsContact CA-O 3.27Å; G654-G677 WeakPolarHBondContact CA-O 3.41Å; G654-G677 PolarHBondContact N-O 2.87Å
655	V	98.5	Very high	97.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	138.2	178.2	179.1	0	0	0	0	110.6	V632 F634 L642 I647 I657 I670 G677 A678 L679	V632-V655 HydrophobicContact CB-CG2 4.43Å; V632-V655 CarbonylContact O-C 3.57Å; V632-V655 WeakPolarHBondContact O-CA 3.49Å; F634-V655 HydrophobicContact CD2-CG1 4.4Å; F634-V655 HydrophobicContact CE2-CG1 4.35Å; L642-V655 HydrophobicContact CD2-CG2 4.04Å; I647-V655 HydrophobicContact CD1-CG2 3.74Å; V655-I657 HydrophobicContact CG1-CG1 4.19Å; V655-I670 HydrophobicContact CB-CD1 4.48Å; V655-I670 HydrophobicContact CG2-CD1 3.69Å; V655-I670 HydrophobicContact CG2-CG1 4.44Å; V655-G677 PolarHBondContact N-O 3.07Å; V655-A678 HydrophobicContact CB-CB 4.43Å; V655-A678 CarbonylContact O-C 3.51Å; V655-A678 VanDerWaalsContact O-CA 3.31Å; V655-A678 WeakPolarHBondContact O-CA 3.24Å; V655-L679 PolarHBondContact O-N 2.99Å
656	Q	98.2	Very high	97.4	Very high	9 Å²	9	29 Å²	29	4%	0.042	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.5	170.3	-71.2	-169.4	4.1	0	0	112.1	V630 V632 Y633 F634 S653 L679 Y681	V630-Q656 HydrophobicContact CG1-CB 3.95Å; V630-Q656 HydrophobicContact CG1-CG 3.72Å; V630-Q656 VanDerWaalsContact CG2-CD 3.4Å; V630-Q656 HydrophobicContact CG2-CG 3.95Å; V632-Q656 PolarHBondContact O-N 3.09Å; Y633-Q656 HydrophobicContact CD2-CB 3.55Å; Y633-Q656 HydrophobicContact CE2-CB 3.79Å; F634-Q656 PolarHBondContact N-O 3.38Å; S653-Q656 PolarHBondContact OG-NE2 3.3Å; Q656-L679 VanDerWaalsContact CA-O 3.26Å; Q656-L679 WeakPolarHBondContact CA-O 3.42Å; Q656-L679 HydrophobicContact CG-CB 4.11Å; Q656-L679 HydrophobicContact CG-CD2 4.39Å; Q656-Y681 HydrophobicContact CB-CE1 4.41Å; Q656-Y681 PolarHBondContact OE1-OH 2.89Å
657	I	98.4	Very high	97.4	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	118.2	-179.7	-54.3	173.5	0	0	0	108.9	F634 V655 S661 P663 V665 L679 I680 Y681 L688	F634-I657 HydrophobicContact CD2-CG1 4.13Å; V655-I657 HydrophobicContact CG1-CG1 4.19Å; I657-S661 VanDerWaalsContact CG2-O 3.25Å; I657-S661 WeakPolarHBondContact CG2-O 3.44Å; I657-P663 HydrophobicContact CD1-CG 3.6Å; I657-P663 HydrophobicContact CG1-CG 3.86Å; I657-P663 HydrophobicContact CG2-CG 4.19Å; I657-V665 HydrophobicContact CD1-CG2 4.43Å; I657-L679 PolarHBondContact N-O 3.47Å; I657-I680 HydrophobicContact CB-CG1 4.24Å; I657-I680 HydrophobicContact CB-CG2 4.26Å; I657-I680 HydrophobicContact CD1-CG1 4.12Å; I657-I680 HydrophobicContact CG1-CG1 4.49Å; I657-I680 HydrophobicContact CG2-CG2 4.49Å; I657-I680 WeakPolarHBondContact O-CA 3.36Å; I657-Y681 PolarHBondContact O-N 3.12Å; I657-L688 HydrophobicContact CD1-CD1 3.85Å
658	R	96.8	Very high	97.4	Very high	17 Å²	17	29.3 Å²	29.3	6%	0.064	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	165.7	-179.9	79.7	-179.5	-170.8	165.7	-4	115.1	Y633 F634 Y635 S661 Y681 T911	Y633-R658 HydrophobicContact CE2-CG 4.15Å; Y633-R658 VanDerWaalsContact OH-CD 3.28Å; Y633-R658 WeakPolarHBondContact OH-CD 3.47Å; Y633-R658 PolarHBondContact OH-NE 2.98Å; Y633-R658 PolarHBondContact OH-NH1 2.85Å; Y633-R658 PolarHBondContact OH-NH2 2.86Å; F634-R658 PolarHBondContact O-N 3.38Å; Y635-R658 HydrophobicContact CD2-CG 3.63Å; Y635-R658 VanDerWaalsContact CD2-CZ 3.49Å; Y635-R658 HydrophobicContact CE2-CG 4.36Å; Y635-R658 VanDerWaalsContact CZ-NH2 3.34Å; R658-S661 WeakPolarHBondContact O-CB 3.46Å; R658-S661 PolarHBondContact O-N 3.36Å; R658-S661 PolarHBondContact O-OG 3.38Å; R658-Y681 WeakPolarHBondContact CA-O 3.41Å; R658-Y681 HydrophobicContact CB-CD1 3.89Å; R658-Y681 HydrophobicContact CB-CD2 4.49Å; R658-Y681 HydrophobicContact CB-CE1 3.77Å; R658-Y681 HydrophobicContact CB-CE2 4.4Å; R658-Y681 HydrophobicContact CB-CG 4.27Å; R658-Y681 WeakPolarHBondContact CB-O 3.3Å; R658-Y681 WeakPolarHBondContact CD-OH 3.3Å; R658-Y681 HydrophobicContact CG-CE1 4.28Å; R658-Y681 PolarHBondContact NH1-OH 2.87Å; R658-T911 VanDerWaalsContact NH2-CG2 3.27Å
659	T	96.5	Very high	97.5	Very high	52 Å²	52	33.1 Å²	33.1	32%	0.319	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	61.4	169.5	-49.2	0	0	0	0	112.2	Y635 N637 S661 N682	Y635-T659 HydrophobicContact CE2-CG2 4.34Å; N637-T659 PolarHBondContact N-O 2.89Å; T659-S661 PolarHBondContact O-N 2.87Å; T659-N682 WeakPolarHBondContact CA-O 3.35Å; T659-N682 PolarHBondContact N-O 3.06Å
660	G	96.6	Very high	97.6	Very high	30 Å²	30	29 Å²	29	31%	0.309	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	73	-3.7	177.9	0	0	0	0	0	115.4	N662 G683	G660-N662 PolarHBondContact O-N 2.84Å; G660-G683 PolarHBondContact N-O 3.06Å
661	S	98.6	Very high	97.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.152	C	C	.	.			trans	-59	132.1	176.6	-62.8	0	0	0	0	111.8	F634 Y635 G638 I657 R658 T659 I685	F634-S661 PolarHBondContact O-OG 3.17Å; Y635-S661 VanDerWaalsContact C-OG 3.27Å; Y635-S661 WeakPolarHBondContact CA-OG 3.07Å; Y635-S661 PolarHBondContact N-OG 3.03Å; G638-S661 PolarHBondContact N-OG 2.94Å; G638-S661 VanDerWaalsContact N-OG 3.16Å; G638-S661 WeakPolarHBondContact O-CA 3.4Å; G638-S661 WeakPolarHBondContact O-CB 3.46Å; G638-S661 PolarHBondContact O-OG 2.81Å; I657-S661 VanDerWaalsContact CG2-O 3.25Å; I657-S661 WeakPolarHBondContact CG2-O 3.44Å; R658-S661 WeakPolarHBondContact O-CB 3.46Å; R658-S661 PolarHBondContact O-N 3.36Å; R658-S661 PolarHBondContact O-OG 3.38Å; T659-S661 PolarHBondContact O-N 2.87Å; S661-I685 PolarHBondContact O-N 2.99Å
662	N	98.3	Very high	97.7	Very high	75 Å²	75	28.3 Å²	28.3	40%	0.401	14%	0.142	S	C	.	.			trans	-135.2	63.5	-176	-169.3	16.5	0	0	0	112.3	N639 G660 I685 G686	N639-N662 WeakPolarHBondContact OD1-CA 3.19Å; N639-N662 PolarHBondContact OD1-N 2.98Å; N639-N662 PolarHBondContact OD1-O 2.79Å; G660-N662 PolarHBondContact O-N 2.84Å; N662-I685 HydrophobicContact CB-CD1 3.84Å; N662-I685 HydrophobicContact CB-CG1 3.65Å; N662-I685 PolarHBondContact OD1-O 3.03Å; N662-G686 WeakPolarHBondContact OD1-CA 3.14Å
663	P	98.6	Very high	97.6	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	13%	0.129	C	C	.	.			trans	-75.8	157.4	174.7	34.5	-37.9	0	0	0	111.9	F634 G640 I657 V665 G686 T687	F634-P663 HydrophobicContact CB-CG 4.29Å; F634-P663 HydrophobicContact CD1-CB 3.75Å; F634-P663 HydrophobicContact CD1-CG 4Å; F634-P663 HydrophobicContact CD2-CB 4.06Å; F634-P663 HydrophobicContact CD2-CG 3.67Å; F634-P663 HydrophobicContact CE1-CB 3.54Å; F634-P663 HydrophobicContact CE1-CG 4.2Å; F634-P663 HydrophobicContact CE2-CB 3.84Å; F634-P663 HydrophobicContact CE2-CG 3.86Å; F634-P663 HydrophobicContact CG-CB 3.99Å; F634-P663 HydrophobicContact CG-CG 3.73Å; F634-P663 HydrophobicContact CZ-CB 3.57Å; F634-P663 HydrophobicContact CZ-CG 4.12Å; G640-P663 WeakPolarHBondContact O-CA 3.49Å; I657-P663 HydrophobicContact CD1-CG 3.6Å; I657-P663 HydrophobicContact CG1-CG 3.86Å; I657-P663 HydrophobicContact CG2-CG 4.19Å; P663-V665 HydrophobicContact CB-CG2 4.33Å; P663-V665 HydrophobicContact CG-CG2 4.2Å; P663-G686 WeakPolarHBondContact O-CA 3.35Å; P663-T687 PolarHBondContact O-N 3.49Å
664	H	98.7	Very high	97.4	Very high	68 Å²	68	30.9 Å²	30.9	32%	0.315	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	113.3	163.6	-171.5	-164.4	0	0	0	108.8	G640 L641 L642 E689	G640-H664 PolarHBondContact O-N 2.86Å; L641-H664 WeakPolarHBondContact CA-O 3.4Å; L641-H664 HydrophobicContact CD1-CB 4.08Å; L642-H664 PolarHBondContact N-O 3.32Å; H664-E689 IonicContact CE1-OE2 3.52Å; H664-E689 IonicContact NE2-OE2 2.75Å; H664-E689 PolarHBondContact NE2-OE2 2.91Å
665	V	98.8	Very high	97	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	105.2	-178.1	178.9	0	0	0	0	107.4	L642 I657 P663 N668 T687 L688 E689 N691	L642-V665 HydrophobicContact CB-CG2 4.27Å; L642-V665 HydrophobicContact CD2-CG1 4.03Å; L642-V665 HydrophobicContact CD2-CG2 4.21Å; L642-V665 CarbonylContact O-C 3.55Å; L642-V665 WeakPolarHBondContact O-CA 3.37Å; I657-V665 HydrophobicContact CD1-CG2 4.43Å; P663-V665 HydrophobicContact CB-CG2 4.33Å; P663-V665 HydrophobicContact CG-CG2 4.2Å; V665-N668 WeakPolarHBondContact CG1-ND2 3.04Å; V665-T687 PolarHBondContact N-O 3.48Å; V665-L688 HydrophobicContact CB-CD1 4.5Å; V665-L688 HydrophobicContact CB-CG 4.03Å; V665-L688 HydrophobicContact CG1-CG 4.3Å; V665-L688 CarbonylContact O-C 3.59Å; V665-L688 VanDerWaalsContact O-CA 3.28Å; V665-L688 WeakPolarHBondContact O-CA 3.38Å; V665-E689 PolarHBondContact O-N 3.16Å; V665-N691 PolarHBondContact O-ND2 2.85Å
666	I	98.9	Very high	96.6	Very high	13 Å²	13	32.9 Å²	32.9	7%	0.067	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136.2	-169.9	-171.1	164	0	0	0	113.9	L641 L642 E643 E644 N668 E689 E690	L641-I666 HydrophobicContact CD1-CG2 3.7Å; L642-I666 PolarHBondContact O-N 2.98Å; E643-I666 WeakPolarHBondContact CA-O 3Å; E643-I666 HydrophobicContact CB-CG2 3.77Å; E643-I666 HydrophobicContact CG-CG2 3.92Å; E644-I666 PolarHBondContact N-O 3.28Å; E644-I666 VanDerWaalsContact N-O 3.11Å; I666-N668 PolarHBondContact N-ND2 3.38Å; I666-N668 VanDerWaalsContact N-ND2 3.18Å; I666-N668 PolarHBondContact O-N 3.07Å; I666-N668 VanDerWaalsContact O-N 3.11Å; I666-N668 PolarHBondContact O-ND2 3.03Å; I666-E689 CarbonylContact C-O 3.59Å; I666-E689 WeakPolarHBondContact CA-O 3.47Å; I666-E689 HydrophobicContact CB-CB 4.49Å; I666-E689 HydrophobicContact CD1-CB 4.28Å; I666-E689 HydrophobicContact CD1-CG 4.18Å; I666-E689 HydrophobicContact CG1-CB 4.18Å; I666-E689 HydrophobicContact CG1-CG 4.44Å; I666-E690 HydrophobicContact CG1-CB 4.5Å
667	R	98.8	Very high	96.5	Very high	85 Å²	85	32.5 Å²	32.5	32%	0.321	16%	0.163	S	C	.	.	S	Bend	trans	54.6	30.5	175	-68.6	-176.1	-65.6	-82.3	-0.2	115.4	E643 E644 E689 E690 N691	E643-R667 IonicContact OE1-CZ 3.76Å; E643-R667 IonicContact OE1-NH2 2.7Å; E643-R667 PolarHBondContact OE1-NH2 3.21Å; E644-R667 VanDerWaalsContact CA-O 3.3Å; E644-R667 WeakPolarHBondContact CA-O 3.3Å; E644-R667 HydrophobicContact CG-CB 4.1Å; E644-R667 WeakPolarHBondContact OE1-CD 3.29Å; E644-R667 IonicContact OE1-NE 3.37Å; E644-R667 PolarHBondContact OE1-NE 3.12Å; E644-R667 VanDerWaalsContact OE1-NE 3.08Å; R667-E689 PolarHBondContact N-O 2.86Å; R667-E690 VanDerWaalsContact CA-O 3.32Å; R667-E690 WeakPolarHBondContact CA-O 3.39Å; R667-E690 HydrophobicContact CG-CB 3.75Å; R667-E690 WeakPolarHBondContact CG-OE2 3.37Å; R667-E690 IonicContact NH1-OE2 3.57Å; R667-E690 PolarHBondContact NH1-OE2 3.4Å; R667-N691 PolarHBondContact N-OD1 3.28Å
668	N	98.9	Very high	96.5	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	16%	0.163	C	C	.	.			trans	-92	155.1	176.4	-55	-85.6	0	0	0	111.5	L642 E644 N645 V665 I666 I670 N691 E692	L642-N668 PolarHBondContact O-ND2 3.43Å; E644-N668 PolarHBondContact N-OD1 3.04Å; N645-N668 VanDerWaalsContact CB-OD1 3.28Å; N645-N668 WeakPolarHBondContact CB-OD1 3.26Å; N645-N668 PolarHBondContact N-OD1 3.26Å; N645-N668 PolarHBondContact ND2-OD1 3.35Å; N645-N668 WeakPolarHBondContact O-CA 3.08Å; N645-N668 WeakPolarHBondContact O-CB 3.24Å; V665-N668 WeakPolarHBondContact CG1-ND2 3.04Å; I666-N668 PolarHBondContact N-ND2 3.38Å; I666-N668 VanDerWaalsContact N-ND2 3.18Å; I666-N668 PolarHBondContact O-N 3.07Å; I666-N668 VanDerWaalsContact O-N 3.11Å; I666-N668 PolarHBondContact O-ND2 3.03Å; N668-I670 HydrophobicContact CB-CD1 4.47Å; N668-I670 HydrophobicContact CB-CG1 4.25Å; N668-N691 WeakPolarHBondContact CB-OD1 3.27Å; N668-N691 PolarHBondContact N-OD1 2.98Å; N668-N691 PolarHBondContact ND2-OD1 3.26Å; N668-N691 CarbonylContact O-C 3.55Å; N668-N691 WeakPolarHBondContact O-CA 3.35Å; N668-N691 WeakPolarHBondContact O-CB 3.4Å; N668-E692 PolarHBondContact O-N 3.12Å
669	K	98.8	Very high	96.5	Very high	91 Å²	91	31.9 Å²	31.9	40%	0.396	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	121	167.3	-67.6	-179.6	178.7	173	0	109.5	N645 I647 W671 E692 F694	N645-K669 PolarHBondContact O-N 3.3Å; I647-K669 PolarHBondContact N-O 2.67Å; K669-W671 HydrophobicContact CB-CE3 3.96Å; K669-W671 HydrophobicContact CB-CZ3 3.64Å; K669-E692 CarbonylContact C-O 3.56Å; K669-E692 WeakPolarHBondContact CA-O 3.27Å; K669-E692 HydrophobicContact CG-CB 4.29Å; K669-F694 HydrophobicContact CB-CE1 4.5Å
670	I	98.6	Very high	96.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	113.5	-174.6	-52.4	170.2	0	0	0	110	I647 V655 N668 G677 E692 I693 F694	I647-I670 HydrophobicContact CB-CG1 4.43Å; I647-I670 HydrophobicContact CD1-CG1 4.44Å; I647-I670 VanDerWaalsContact O-CA 3.32Å; I647-I670 WeakPolarHBondContact O-CA 3.44Å; V655-I670 HydrophobicContact CB-CD1 4.48Å; V655-I670 HydrophobicContact CG2-CD1 3.69Å; V655-I670 HydrophobicContact CG2-CG1 4.44Å; N668-I670 HydrophobicContact CB-CD1 4.47Å; N668-I670 HydrophobicContact CB-CG1 4.25Å; I670-G677 WeakPolarHBondContact CG2-O 3.15Å; I670-E692 PolarHBondContact N-O 3.16Å; I670-I693 HydrophobicContact CB-CG1 4.33Å; I670-I693 HydrophobicContact CD1-CD1 4.46Å; I670-I693 HydrophobicContact CD1-CG1 4.27Å; I670-I693 WeakPolarHBondContact O-CA 3.18Å; I670-F694 PolarHBondContact O-N 2.83Å
671	W	97.9	Very high	96.6	Very high	57 Å²	57	28.7 Å²	28.7	22%	0.216	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	162.8	-175.8	75	97.2	0	0	0	115.9	E646 I647 F648 N649 K669 G673 F694 N696	E646-W671 HydrophobicContact CB-CH2 3.93Å; E646-W671 HydrophobicContact CB-CZ3 3.98Å; E646-W671 HydrophobicContact CG-CH2 4.2Å; E646-W671 HydrophobicContact CG-CZ3 4.27Å; I647-W671 PolarHBondContact O-N 2.99Å; F648-W671 CarbonylContact C-O 3.52Å; F648-W671 WeakPolarHBondContact CA-O 3.24Å; F648-W671 HydrophobicContact CB-CD2 3.39Å; F648-W671 HydrophobicContact CB-CE3 3.79Å; F648-W671 HydrophobicContact CB-CG 3.86Å; F648-W671 HydrophobicContact CB-CH2 3.96Å; F648-W671 HydrophobicContact CB-CZ2 3.57Å; F648-W671 HydrophobicContact CB-CZ3 4.04Å; F648-W671 VanDerWaalsContact CB-O 3.24Å; F648-W671 WeakPolarHBondContact CB-O 3.31Å; F648-W671 AromaticContact CD1-CE2 3.96Å; F648-W671 HydrophobicContact CD1-CE3 4.45Å; F648-W671 AromaticContact CD1-CH2 3.21Å; F648-W671 HydrophobicContact CD1-CH2 3.21Å; F648-W671 AromaticContact CD1-CZ2 3.29Å; F648-W671 HydrophobicContact CD1-CZ2 3.29Å; F648-W671 AromaticContact CD1-CZ3 3.82Å; F648-W671 HydrophobicContact CD1-CZ3 3.82Å; F648-W671 AromaticContact CD2-CZ2 3.79Å; F648-W671 HydrophobicContact CD2-CZ2 3.79Å; F648-W671 AromaticContact CE1-CH2 3.82Å; F648-W671 HydrophobicContact CE1-CH2 3.82Å; F648-W671 AromaticContact CE1-CZ2 3.9Å; F648-W671 HydrophobicContact CE1-CZ2 3.9Å; F648-W671 HydrophobicContact CE2-CZ2 4.36Å; F648-W671 HydrophobicContact CG-CD2 4.1Å; F648-W671 AromaticContact CG-CE2 3.47Å; F648-W671 VanDerWaalsContact CG-CE2 3.47Å; F648-W671 HydrophobicContact CG-CE3 4.42Å; F648-W671 AromaticContact CG-CH2 3.66Å; F648-W671 HydrophobicContact CG-CH2 3.66Å; F648-W671 AromaticContact CG-CZ2 3.25Å; F648-W671 HydrophobicContact CG-CZ2 3.25Å; F648-W671 HydrophobicContact CG-CZ3 4.21Å; F648-W671 AromaticContact CG-NE1 3.92Å; F648-W671 HydrophobicContact CZ-CZ2 4.42Å; N649-W671 PolarHBondContact N-O 3.31Å; N649-W671 VanDerWaalsContact N-O 3.11Å; K669-W671 HydrophobicContact CB-CE3 3.96Å; K669-W671 HydrophobicContact CB-CZ3 3.64Å; W671-G673 PolarHBondContact O-N 3.39Å; W671-G673 VanDerWaalsContact O-N 3.16Å; W671-F694 WeakPolarHBondContact CA-O 3.43Å; W671-F694 HydrophobicContact CB-CD1 4.22Å; W671-F694 HydrophobicContact CB-CD2 3.81Å; W671-F694 HydrophobicContact CB-CE1 4.04Å; W671-F694 HydrophobicContact CB-CE2 3.6Å; W671-F694 HydrophobicContact CB-CG 4.11Å; W671-F694 HydrophobicContact CB-CZ 3.72Å; W671-F694 WeakPolarHBondContact CB-O 3.36Å; W671-F694 HydrophobicContact CD2-CE1 4.36Å; W671-F694 HydrophobicContact CD2-CE2 4.21Å; W671-F694 AromaticContact CD2-CZ 3.73Å; W671-F694 HydrophobicContact CD2-CZ 3.73Å; W671-F694 HydrophobicContact CE3-CE1 4.14Å; W671-F694 AromaticContact CE3-CZ 3.9Å; W671-F694 HydrophobicContact CE3-CZ 3.9Å; W671-F694 HydrophobicContact CG-CD2 4.4Å; W671-F694 HydrophobicContact CG-CE1 4.37Å; W671-F694 AromaticContact CG-CE2 3.71Å; W671-F694 HydrophobicContact CG-CE2 3.71Å; W671-F694 AromaticContact CG-CZ 3.69Å; W671-F694 HydrophobicContact CG-CZ 3.69Å; W671-N696 WeakPolarHBondContact CA-OD1 3.45Å
672	G	93.3	Very high	96.6	Very high	20 Å²	20	32.1 Å²	32.1	21%	0.206	15%	0.152	C	C	.	.			trans	66.5	15.6	174.4	0	0	0	0	0	114.9	N649 G695 N696	N649-G672 WeakPolarHBondContact CA-O 3.44Å; G672-G695 PolarHBondContact N-O 3.2Å; G672-N696 PolarHBondContact N-OD1 3.06Å
673	G	92.9	Very high	96.5	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.01	15%	0.147	C	C	.	.			trans	-70.3	132.5	171	0	0	0	0	0	110.7	Y652 W671 N696 A697	Y652-G673 CarbonylContact O-C 3.55Å; Y652-G673 WeakPolarHBondContact O-CA 3.45Å; W671-G673 PolarHBondContact O-N 3.39Å; W671-G673 VanDerWaalsContact O-N 3.16Å; G673-N696 PolarHBondContact N-OD1 3.46Å; G673-A697 PolarHBondContact O-N 3.46Å
674	K	91.2	Very high	96.5	Very high	125 Å²	125	29.8 Å²	29.8	54%	0.543	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-32.6	179.3	-56.5	-173.2	177.2	-175.9	0	112.6	H650 Q651 Y652 M698	H650-K674 PolarHBondContact O-N 2.83Å; Q651-K674 WeakPolarHBondContact O-CB 3.35Å; Y652-K674 PolarHBondContact O-N 2.84Å; K674-M698 WeakPolarHBondContact O-CG 3.4Å
675	N	89.3	Confident	96.4	Very high	45 Å²	45	30 Å²	30	24%	0.241	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	33.2	176.2	-65.8	1.7	0	0	0	112.3	Y652 S653 M698	Y652-N675 WeakPolarHBondContact CD1-ND2 3.4Å; Y652-N675 PolarHBondContact O-N 3.31Å; S653-N675 PolarHBondContact OG-O 2.86Å; N675-M698 HydrophobicContact CB-SD 4.48Å
676	G	91	Very high	96.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.			trans	93.9	174.1	179.3	0	0	0	0	0	114.7	S653 G654 A699	S653-G676 VanDerWaalsContact CA-O 3.22Å; S653-G676 WeakPolarHBondContact CA-O 3.25Å; G654-G676 PolarHBondContact N-O 2.93Å; G676-A699 WeakPolarHBondContact CA-O 3.31Å
677	G	96.1	Very high	96.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-77.2	-62.5	-179.5	0	0	0	0	0	111.9	G654 V655 I670 N696 A699 G700	G654-G677 CarbonylContact C-O 3.58Å; G654-G677 VanDerWaalsContact CA-O 3.27Å; G654-G677 WeakPolarHBondContact CA-O 3.41Å; G654-G677 PolarHBondContact N-O 2.87Å; V655-G677 PolarHBondContact N-O 3.07Å; I670-G677 WeakPolarHBondContact CG2-O 3.15Å; G677-N696 WeakPolarHBondContact CA-ND2 3.15Å; G677-A699 PolarHBondContact N-O 3.13Å; G677-G700 CarbonylContact C-O 3.44Å; G677-G700 WeakPolarHBondContact CA-O 3.39Å; G677-G700 PolarHBondContact N-O 2.84Å
678	A	98	Very high	96.3	Very high	1 Å²	1	27 Å²	27	1%	0.008	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	135	175.1	0	0	0	0	0	111.3	V655 I680 L688 I693 G700 V701 W702	V655-A678 HydrophobicContact CB-CB 4.43Å; V655-A678 CarbonylContact O-C 3.51Å; V655-A678 VanDerWaalsContact O-CA 3.31Å; V655-A678 WeakPolarHBondContact O-CA 3.24Å; A678-I680 HydrophobicContact CB-CD1 4.22Å; A678-L688 HydrophobicContact CB-CD2 3.82Å; A678-I693 HydrophobicContact CB-CD1 4.41Å; A678-G700 PolarHBondContact N-O 3.32Å; A678-V701 HydrophobicContact CB-CG1 4.4Å; A678-V701 HydrophobicContact CB-CG2 4.34Å; A678-V701 CarbonylContact O-C 3.58Å; A678-V701 VanDerWaalsContact O-CA 3.3Å; A678-V701 WeakPolarHBondContact O-CA 3.44Å; A678-W702 PolarHBondContact O-N 3.08Å
679	L	97.6	Very high	96.3	Very high	5 Å²	5	28 Å²	28	3%	0.026	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	113.3	175.9	166.2	66.3	0	0	0	110.4	V655 Q656 I657 Y681 W702 K704 P906	V655-L679 PolarHBondContact O-N 2.99Å; Q656-L679 VanDerWaalsContact CA-O 3.26Å; Q656-L679 WeakPolarHBondContact CA-O 3.42Å; Q656-L679 HydrophobicContact CG-CB 4.11Å; Q656-L679 HydrophobicContact CG-CD2 4.39Å; I657-L679 PolarHBondContact N-O 3.47Å; L679-Y681 HydrophobicContact CD1-CD1 4.33Å; L679-Y681 HydrophobicContact CD2-CD1 4.09Å; L679-Y681 HydrophobicContact CD2-CE1 4.19Å; L679-Y681 HydrophobicContact CG-CD1 3.76Å; L679-Y681 HydrophobicContact CG-CE1 4.25Å; L679-Y681 HydrophobicContact CG-CG 4.4Å; L679-W702 HydrophobicContact CB-CB 4.33Å; L679-W702 HydrophobicContact CD1-CB 3.42Å; L679-W702 VanDerWaalsContact CD1-CB 3.42Å; L679-W702 HydrophobicContact CD1-CG 4.29Å; L679-W702 HydrophobicContact CG-CB 4.49Å; L679-K704 HydrophobicContact CD1-CD 4.38Å; L679-K704 HydrophobicContact CD1-CG 4.36Å; L679-P906 HydrophobicContact CD2-CB 4.46Å
680	I	98.2	Very high	96.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	116.8	177.1	-53.6	84.8	0	0	0	107.7	I657 A678 G684 L688 V701 W702 I703 K704 P709	I657-I680 HydrophobicContact CB-CG1 4.24Å; I657-I680 HydrophobicContact CB-CG2 4.26Å; I657-I680 HydrophobicContact CD1-CG1 4.12Å; I657-I680 HydrophobicContact CG1-CG1 4.49Å; I657-I680 HydrophobicContact CG2-CG2 4.49Å; I657-I680 WeakPolarHBondContact O-CA 3.36Å; A678-I680 HydrophobicContact CB-CD1 4.22Å; I680-G684 WeakPolarHBondContact CG2-O 3.31Å; I680-L688 HydrophobicContact CD1-CD2 4.47Å; I680-V701 HydrophobicContact CD1-CG1 3.61Å; I680-W702 PolarHBondContact N-O 3.01Å; I680-I703 CarbonylContact O-C 3.54Å; I680-I703 WeakPolarHBondContact O-CA 3.15Å; I680-K704 PolarHBondContact O-N 2.8Å; I680-P709 HydrophobicContact CB-CG 4.36Å; I680-P709 HydrophobicContact CG1-CB 4.32Å; I680-P709 HydrophobicContact CG1-CG 4.34Å; I680-P709 HydrophobicContact CG2-CB 4.26Å; I680-P709 HydrophobicContact CG2-CG 4.21Å
681	Y	97.3	Very high	96.3	Very high	14 Å²	14	26.8 Å²	26.8	6%	0.055	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	165.5	-173.3	71.9	-68.2	0	0	0	113.2	Y633 Q656 I657 R658 L679 G683 G684 K704 S707	Y633-Y681 PolarHBondContact OH-OH 3.44Å; Q656-Y681 HydrophobicContact CB-CE1 4.41Å; Q656-Y681 PolarHBondContact OE1-OH 2.89Å; I657-Y681 PolarHBondContact O-N 3.12Å; R658-Y681 WeakPolarHBondContact CA-O 3.41Å; R658-Y681 HydrophobicContact CB-CD1 3.89Å; R658-Y681 HydrophobicContact CB-CD2 4.49Å; R658-Y681 HydrophobicContact CB-CE1 3.77Å; R658-Y681 HydrophobicContact CB-CE2 4.4Å; R658-Y681 HydrophobicContact CB-CG 4.27Å; R658-Y681 WeakPolarHBondContact CB-O 3.3Å; R658-Y681 WeakPolarHBondContact CD-OH 3.3Å; R658-Y681 HydrophobicContact CG-CE1 4.28Å; R658-Y681 PolarHBondContact NH1-OH 2.87Å; L679-Y681 HydrophobicContact CD1-CD1 4.33Å; L679-Y681 HydrophobicContact CD2-CD1 4.09Å; L679-Y681 HydrophobicContact CD2-CE1 4.19Å; L679-Y681 HydrophobicContact CG-CD1 3.76Å; L679-Y681 HydrophobicContact CG-CE1 4.25Å; L679-Y681 HydrophobicContact CG-CG 4.4Å; Y681-G683 PolarHBondContact O-N 2.98Å; Y681-G684 PolarHBondContact O-N 3.08Å; Y681-K704 WeakPolarHBondContact CA-O 3.5Å; Y681-S707 WeakPolarHBondContact CA-OG 3.49Å; Y681-S707 PolarHBondContact N-OG 3.16Å; Y681-S707 PolarHBondContact O-OG 2.84Å
682	N	97	Very high	96.4	Very high	72 Å²	72	27.2 Å²	27.2	39%	0.385	15%	0.146	S	C	.	.	S	Bend	trans	49.4	55.2	176.7	-62.1	1.9	0	0	0	112.6	T659 T705 S707	T659-N682 WeakPolarHBondContact CA-O 3.35Å; T659-N682 PolarHBondContact N-O 3.06Å; N682-T705 WeakPolarHBondContact CA-O 3.39Å; N682-T705 PolarHBondContact N-O 3.2Å; N682-T705 VanDerWaalsContact OD1-CB 3.24Å; N682-T705 WeakPolarHBondContact OD1-CB 3.11Å; N682-T705 VanDerWaalsContact OD1-CG2 3.24Å; N682-T705 WeakPolarHBondContact OD1-CG2 3.38Å; N682-T705 PolarHBondContact OD1-OG1 3.31Å; N682-S707 PolarHBondContact N-OG 3.11Å
683	G	96.8	Very high	96.6	Very high	28 Å²	28	26.2 Å²	26.2	29%	0.289	14%	0.136	S	C	.	.	S	Bend	trans	73.2	26.9	178.5	0	0	0	0	0	115.1	G660 Y681 T705 S707	G660-G683 PolarHBondContact N-O 3.06Å; Y681-G683 PolarHBondContact O-N 2.98Å; G683-T705 PolarHBondContact N-O 3.1Å; G683-T705 VanDerWaalsContact N-O 3.15Å; G683-S707 PolarHBondContact N-OG 3.24Å
684	G	98	Very high	96.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.146	C	C	.	.			trans	-70.5	143.1	168.9	0	0	0	0	0	111.6	I680 Y681 S707 R708	I680-G684 WeakPolarHBondContact CG2-O 3.31Å; Y681-G684 PolarHBondContact O-N 3.08Å; G684-S707 PolarHBondContact N-OG 2.9Å; G684-S707 WeakPolarHBondContact O-CA 3.34Å; G684-S707 VanDerWaalsContact O-CB 3.28Å; G684-S707 WeakPolarHBondContact O-CB 3.44Å; G684-R708 PolarHBondContact O-N 3.07Å
685	I	97.4	Very high	97	Very high	72 Å²	72	24.6 Å²	24.6	37%	0.369	14%	0.14	S	C	.	.			trans	-134.7	8.1	-172.4	58.2	169	0	0	0	114.4	S661 N662 R708	S661-I685 PolarHBondContact O-N 2.99Å; N662-I685 HydrophobicContact CB-CD1 3.84Å; N662-I685 HydrophobicContact CB-CG1 3.65Å; N662-I685 PolarHBondContact OD1-O 3.03Å; I685-R708 HydrophobicContact CG2-CB 4.5Å
686	G	97.4	Very high	97.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.129	C	C	.	.			trans	-53.7	158.3	-175.1	0	0	0	0	0	115.5	N662 P663 P709 V710	N662-G686 WeakPolarHBondContact OD1-CA 3.14Å; P663-G686 WeakPolarHBondContact O-CA 3.35Å; G686-P709 VanDerWaalsContact O-CA 3.24Å; G686-P709 WeakPolarHBondContact O-CA 3.41Å; G686-P709 WeakPolarHBondContact O-CB 3.16Å; G686-V710 PolarHBondContact O-N 2.97Å; G686-V710 VanDerWaalsContact O-N 3.12Å
687	T	98.7	Very high	97.4	Very high	34 Å²	34	24.6 Å²	24.6	21%	0.209	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120.3	175.4	-61.4	0	0	0	0	109.7	P663 V665 V710	P663-T687 PolarHBondContact O-N 3.49Å; V665-T687 PolarHBondContact N-O 3.48Å; T687-V710 CarbonylContact C-O 3.59Å; T687-V710 WeakPolarHBondContact CA-O 3.35Å; T687-V710 HydrophobicContact CG2-CB 4.23Å; T687-V710 HydrophobicContact CG2-CG1 4.4Å
688	L	98.7	Very high	97.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	117.5	172.6	-71.6	64.8	0	0	0	108.3	I657 V665 A678 I680 I693 V710 L711 R712 N714	I657-L688 HydrophobicContact CD1-CD1 3.85Å; V665-L688 HydrophobicContact CB-CD1 4.5Å; V665-L688 HydrophobicContact CB-CG 4.03Å; V665-L688 HydrophobicContact CG1-CG 4.3Å; V665-L688 CarbonylContact O-C 3.59Å; V665-L688 VanDerWaalsContact O-CA 3.28Å; V665-L688 WeakPolarHBondContact O-CA 3.38Å; A678-L688 HydrophobicContact CB-CD2 3.82Å; I680-L688 HydrophobicContact CD1-CD2 4.47Å; L688-I693 HydrophobicContact CD2-CD1 4.26Å; L688-V710 PolarHBondContact N-O 2.89Å; L688-L711 HydrophobicContact CB-CD2 3.62Å; L688-L711 HydrophobicContact CD1-CD2 4.13Å; L688-L711 HydrophobicContact CD2-CD2 3.8Å; L688-L711 HydrophobicContact CG-CD2 4.04Å; L688-L711 CarbonylContact O-C 3.58Å; L688-L711 WeakPolarHBondContact O-CA 3.39Å; L688-R712 PolarHBondContact O-N 2.94Å; L688-N714 PolarHBondContact O-ND2 3.06Å
689	E	98.7	Very high	97.1	Very high	22 Å²	22	27.7 Å²	27.7	10%	0.103	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	134.2	-173.2	-171.7	164.9	-154.3	0	0	112.3	H664 V665 I666 R667 N691 R712 R713	H664-E689 IonicContact CE1-OE2 3.52Å; H664-E689 IonicContact NE2-OE2 2.75Å; H664-E689 PolarHBondContact NE2-OE2 2.91Å; V665-E689 PolarHBondContact O-N 3.16Å; I666-E689 CarbonylContact C-O 3.59Å; I666-E689 WeakPolarHBondContact CA-O 3.47Å; I666-E689 HydrophobicContact CB-CB 4.49Å; I666-E689 HydrophobicContact CD1-CB 4.28Å; I666-E689 HydrophobicContact CD1-CG 4.18Å; I666-E689 HydrophobicContact CG1-CB 4.18Å; I666-E689 HydrophobicContact CG1-CG 4.44Å; R667-E689 PolarHBondContact N-O 2.86Å; E689-N691 PolarHBondContact N-ND2 2.88Å; E689-N691 PolarHBondContact O-N 3.01Å; E689-N691 PolarHBondContact O-ND2 2.81Å; E689-R712 CarbonylContact C-O 3.5Å; E689-R712 WeakPolarHBondContact CA-O 3.19Å; E689-R712 HydrophobicContact CG-CB 4.31Å; E689-R712 HydrophobicContact CG-CG 4.3Å; E689-R712 WeakPolarHBondContact OE1-CD 3.35Å; E689-R713 IonicContact OE1-CZ 2.67Å; E689-R713 IonicContact OE1-NH1 2.89Å; E689-R713 IonicContact OE1-NH2 3.29Å; E689-R713 PolarHBondContact OE1-NH2 3.07Å
690	E	98.8	Very high	97	Very high	66 Å²	66	27.4 Å²	27.4	31%	0.308	16%	0.16	S	C	.	.	S	Bend	trans	56.7	22.7	173.2	-65.1	169	-165.7	0	0	115.3	I666 R667 R712 R713	I666-E690 HydrophobicContact CG1-CB 4.5Å; R667-E690 VanDerWaalsContact CA-O 3.32Å; R667-E690 WeakPolarHBondContact CA-O 3.39Å; R667-E690 HydrophobicContact CG-CB 3.75Å; R667-E690 WeakPolarHBondContact CG-OE2 3.37Å; R667-E690 IonicContact NH1-OE2 3.57Å; R667-E690 PolarHBondContact NH1-OE2 3.4Å; E690-R712 PolarHBondContact N-O 3.24Å; E690-R713 VanDerWaalsContact CA-O 3.3Å; E690-R713 WeakPolarHBondContact CA-O 3.49Å; E690-R713 HydrophobicContact CG-CB 3.98Å; E690-R713 IonicContact OE1-CZ 2.76Å; E690-R713 IonicContact OE1-NE 3.72Å; E690-R713 PolarHBondContact OE1-NE 3.24Å; E690-R713 IonicContact OE1-NH2 3.1Å; E690-R713 PolarHBondContact OE1-NH2 3.23Å
691	N	98.8	Very high	97	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	16%	0.16	C	C	.	.			trans	-86.7	150.7	179.2	-54.4	-81.7	0	0	0	111.7	V665 R667 N668 E689 I693 N714 K715	V665-N691 PolarHBondContact O-ND2 2.85Å; R667-N691 PolarHBondContact N-OD1 3.28Å; N668-N691 WeakPolarHBondContact CB-OD1 3.27Å; N668-N691 PolarHBondContact N-OD1 2.98Å; N668-N691 PolarHBondContact ND2-OD1 3.26Å; N668-N691 CarbonylContact O-C 3.55Å; N668-N691 WeakPolarHBondContact O-CA 3.35Å; N668-N691 WeakPolarHBondContact O-CB 3.4Å; E689-N691 PolarHBondContact N-ND2 2.88Å; E689-N691 PolarHBondContact O-N 3.01Å; E689-N691 PolarHBondContact O-ND2 2.81Å; N691-I693 HydrophobicContact CB-CG1 4.19Å; N691-N714 VanDerWaalsContact CB-OD1 3.31Å; N691-N714 WeakPolarHBondContact CB-OD1 3.42Å; N691-N714 PolarHBondContact N-OD1 3.5Å; N691-N714 PolarHBondContact ND2-OD1 2.81Å; N691-N714 CarbonylContact O-C 3.58Å; N691-N714 WeakPolarHBondContact O-CA 3.28Å; N691-K715 PolarHBondContact O-N 2.92Å
692	E	98.7	Very high	97	Very high	65 Å²	65	29 Å²	29	30%	0.304	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	109.8	167	-64.7	-178.6	-176.8	0	0	109	N668 K669 I670 F694 K715	N668-E692 PolarHBondContact O-N 3.12Å; K669-E692 CarbonylContact C-O 3.56Å; K669-E692 WeakPolarHBondContact CA-O 3.27Å; K669-E692 HydrophobicContact CG-CB 4.29Å; I670-E692 PolarHBondContact N-O 3.16Å; E692-F694 HydrophobicContact CB-CD1 4.24Å; E692-F694 HydrophobicContact CB-CE1 4.42Å; E692-K715 WeakPolarHBondContact CA-O 3.44Å; E692-K715 HydrophobicContact CG-CB 4.39Å
693	I	98.6	Very high	97	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	110.7	-178.5	-53.6	178.3	0	0	0	108.6	I670 A678 L688 N691 G700 V701 K715 I716 F717	I670-I693 HydrophobicContact CB-CG1 4.33Å; I670-I693 HydrophobicContact CD1-CD1 4.46Å; I670-I693 HydrophobicContact CD1-CG1 4.27Å; I670-I693 WeakPolarHBondContact O-CA 3.18Å; A678-I693 HydrophobicContact CB-CD1 4.41Å; L688-I693 HydrophobicContact CD2-CD1 4.26Å; N691-I693 HydrophobicContact CB-CG1 4.19Å; I693-G700 WeakPolarHBondContact CG2-O 3.38Å; I693-V701 HydrophobicContact CD1-CG2 3.58Å; I693-K715 PolarHBondContact N-O 3.15Å; I693-I716 HydrophobicContact CB-CG1 4.42Å; I693-I716 VanDerWaalsContact O-CA 3.31Å; I693-I716 WeakPolarHBondContact O-CA 3.14Å; I693-F717 PolarHBondContact O-N 2.84Å
694	F	98	Very high	97	Very high	51 Å²	51	26 Å²	26	22%	0.224	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	163.5	-169.3	65.1	-86.2	0	0	0	115.5	K669 I670 W671 E692 N696 F717	K669-F694 HydrophobicContact CB-CE1 4.5Å; I670-F694 PolarHBondContact O-N 2.83Å; W671-F694 WeakPolarHBondContact CA-O 3.43Å; W671-F694 HydrophobicContact CB-CD1 4.22Å; W671-F694 HydrophobicContact CB-CD2 3.81Å; W671-F694 HydrophobicContact CB-CE1 4.04Å; W671-F694 HydrophobicContact CB-CE2 3.6Å; W671-F694 HydrophobicContact CB-CG 4.11Å; W671-F694 HydrophobicContact CB-CZ 3.72Å; W671-F694 WeakPolarHBondContact CB-O 3.36Å; W671-F694 HydrophobicContact CD2-CE1 4.36Å; W671-F694 HydrophobicContact CD2-CE2 4.21Å; W671-F694 AromaticContact CD2-CZ 3.73Å; W671-F694 HydrophobicContact CD2-CZ 3.73Å; W671-F694 HydrophobicContact CE3-CE1 4.14Å; W671-F694 AromaticContact CE3-CZ 3.9Å; W671-F694 HydrophobicContact CE3-CZ 3.9Å; W671-F694 HydrophobicContact CG-CD2 4.4Å; W671-F694 HydrophobicContact CG-CE1 4.37Å; W671-F694 AromaticContact CG-CE2 3.71Å; W671-F694 HydrophobicContact CG-CE2 3.71Å; W671-F694 AromaticContact CG-CZ 3.69Å; W671-F694 HydrophobicContact CG-CZ 3.69Å; E692-F694 HydrophobicContact CB-CD1 4.24Å; E692-F694 HydrophobicContact CB-CE1 4.42Å; F694-N696 PolarHBondContact O-N 2.86Å; F694-N696 VanDerWaalsContact O-N 3.1Å; F694-N696 PolarHBondContact O-ND2 2.93Å; F694-F717 WeakPolarHBondContact CA-O 3.37Å; F694-F717 HydrophobicContact CB-CD1 3.95Å; F694-F717 HydrophobicContact CB-CD2 3.85Å; F694-F717 HydrophobicContact CB-CE1 3.69Å; F694-F717 HydrophobicContact CB-CE2 3.59Å; F694-F717 HydrophobicContact CB-CG 4.02Å; F694-F717 HydrophobicContact CB-CZ 3.5Å; F694-F717 VanDerWaalsContact CB-CZ 3.5Å; F694-F717 WeakPolarHBondContact CB-O 3.26Å; F694-F717 HydrophobicContact CD1-CE1 4.19Å; F694-F717 AromaticContact CD1-CZ 3.94Å; F694-F717 HydrophobicContact CD1-CZ 3.94Å; F694-F717 HydrophobicContact CD2-CE2 4.36Å; F694-F717 HydrophobicContact CD2-CZ 4.32Å; F694-F717 HydrophobicContact CG-CE1 4.14Å; F694-F717 AromaticContact CG-CE2 4Å; F694-F717 HydrophobicContact CG-CE2 4Å; F694-F717 AromaticContact CG-CZ 3.67Å; F694-F717 HydrophobicContact CG-CZ 3.67Å
695	G	94.4	Very high	96.9	Very high	41 Å²	41	28.9 Å²	28.9	42%	0.423	16%	0.159	S	C	.	.			trans	58.8	30.5	168.9	0	0	0	0	0	114.9	G672 F717 G718	G672-G695 PolarHBondContact N-O 3.2Å; G695-F717 PolarHBondContact N-O 3.05Å; G695-G718 WeakPolarHBondContact CA-O 3.44Å
696	N	95.6	Very high	96.8	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	16%	0.159	C	C	.	.			trans	-89.4	151.8	-179.5	-61.5	-69.5	0	0	0	111.2	W671 G672 G673 G677 F694 M698 S719 R720	W671-N696 WeakPolarHBondContact CA-OD1 3.45Å; G672-N696 PolarHBondContact N-OD1 3.06Å; G673-N696 PolarHBondContact N-OD1 3.46Å; G677-N696 WeakPolarHBondContact CA-ND2 3.15Å; F694-N696 PolarHBondContact O-N 2.86Å; F694-N696 VanDerWaalsContact O-N 3.1Å; F694-N696 PolarHBondContact O-ND2 2.93Å; N696-M698 VanDerWaalsContact C-N 3.31Å; N696-M698 PolarHBondContact O-N 2.92Å; N696-S719 WeakPolarHBondContact O-CA 3.22Å; N696-R720 PolarHBondContact O-N 3.4Å
697	A	92.7	Very high	96.9	Very high	43 Å²	43	27.1 Å²	27.1	36%	0.355	16%	0.159	S	C	.	.	S	Bend	trans	-77.1	-18.6	-175.8	0	0	0	0	0	113.7	G673 R720	G673-A697 PolarHBondContact O-N 3.46Å; A697-R720 WeakPolarHBondContact O-CB 3.04Å
698	M	92.8	Very high	96.8	Very high	66 Å²	66	33.7 Å²	33.7	33%	0.325	18%	0.18	S	C	.	.	S	Bend	trans	-122.6	-159.9	168.5	-62.4	-177.9	81.1	0	0	108.8	K674 N675 N696 W702 S719	K674-M698 WeakPolarHBondContact O-CG 3.4Å; N675-M698 HydrophobicContact CB-SD 4.48Å; N696-M698 VanDerWaalsContact C-N 3.31Å; N696-M698 PolarHBondContact O-N 2.92Å; M698-W702 HydrophobicContact CE-CZ2 4.03Å; M698-S719 WeakPolarHBondContact O-CB 3.37Å
699	A	94	Very high	96.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.18	C	C	.	.			trans	-57.9	151	-176.9	0	0	0	0	0	113.6	G676 G677 W702 D721 A722 C725	G676-A699 WeakPolarHBondContact CA-O 3.31Å; G677-A699 PolarHBondContact N-O 3.13Å; A699-W702 HydrophobicContact CB-CD2 4.41Å; A699-W702 HydrophobicContact CB-CG 4.33Å; A699-W702 HydrophobicContact CB-CZ2 4.22Å; A699-D721 HydrophobicContact CB-CB 4.49Å; A699-A722 WeakPolarHBondContact CA-O 3.08Å; A699-A722 VanDerWaalsContact CB-O 3.29Å; A699-A722 WeakPolarHBondContact CB-O 3.36Å; A699-C725 HydrophobicContact CB-CB 3.88Å; A699-C725 VanDerWaalsContact CB-SG 3.58Å
700	G	96.7	Very high	96.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-59.8	-52	174.9	0	0	0	0	0	111	G677 A678 I693 S719 A722 G723	G677-G700 CarbonylContact C-O 3.44Å; G677-G700 WeakPolarHBondContact CA-O 3.39Å; G677-G700 PolarHBondContact N-O 2.84Å; A678-G700 PolarHBondContact N-O 3.32Å; I693-G700 WeakPolarHBondContact CG2-O 3.38Å; G700-S719 WeakPolarHBondContact CA-OG 3.14Å; G700-S719 PolarHBondContact N-OG 3.05Å; G700-A722 PolarHBondContact N-O 2.84Å; G700-G723 CarbonylContact C-O 3.57Å; G700-G723 VanDerWaalsContact CA-O 3.24Å; G700-G723 WeakPolarHBondContact CA-O 3.36Å; G700-G723 PolarHBondContact N-O 3.07Å
701	V	98.2	Very high	96.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	131.1	175.2	-175.4	0	0	0	0	110.8	A678 I680 I693 I703 L711 I716 G723 V724 C725	A678-V701 HydrophobicContact CB-CG1 4.4Å; A678-V701 HydrophobicContact CB-CG2 4.34Å; A678-V701 CarbonylContact O-C 3.58Å; A678-V701 VanDerWaalsContact O-CA 3.3Å; A678-V701 WeakPolarHBondContact O-CA 3.44Å; I680-V701 HydrophobicContact CD1-CG1 3.61Å; I693-V701 HydrophobicContact CD1-CG2 3.58Å; V701-I703 HydrophobicContact CG1-CG1 4.21Å; V701-L711 HydrophobicContact CB-CD1 4.34Å; V701-L711 HydrophobicContact CG1-CD1 3.96Å; V701-L711 HydrophobicContact CG1-CD2 4.39Å; V701-L711 HydrophobicContact CG2-CD1 4.44Å; V701-I716 HydrophobicContact CG2-CD1 3.82Å; V701-G723 PolarHBondContact N-O 2.89Å; V701-V724 HydrophobicContact CB-CG1 4.25Å; V701-V724 HydrophobicContact CB-CG2 4.26Å; V701-V724 CarbonylContact O-C 3.57Å; V701-V724 WeakPolarHBondContact O-CA 3.3Å; V701-C725 PolarHBondContact O-N 3.03Å
702	W	97	Very high	96.8	Very high	46 Å²	46	35.1 Å²	35.1	17%	0.174	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.2	170.8	-78.9	86.7	0	0	0	110.4	A678 L679 I680 M698 A699 C725 F727	A678-W702 PolarHBondContact O-N 3.08Å; L679-W702 HydrophobicContact CB-CB 4.33Å; L679-W702 HydrophobicContact CD1-CB 3.42Å; L679-W702 VanDerWaalsContact CD1-CB 3.42Å; L679-W702 HydrophobicContact CD1-CG 4.29Å; L679-W702 HydrophobicContact CG-CB 4.49Å; I680-W702 PolarHBondContact N-O 3.01Å; M698-W702 HydrophobicContact CE-CZ2 4.03Å; A699-W702 HydrophobicContact CB-CD2 4.41Å; A699-W702 HydrophobicContact CB-CG 4.33Å; A699-W702 HydrophobicContact CB-CZ2 4.22Å; W702-C725 CarbonylContact C-O 3.59Å; W702-C725 WeakPolarHBondContact CA-O 3.36Å; W702-C725 HydrophobicContact CD2-CB 3.66Å; W702-C725 HydrophobicContact CE3-CB 3.66Å; W702-C725 HydrophobicContact CG-CB 4.22Å; W702-C725 HydrophobicContact CH2-CB 4.12Å; W702-C725 HydrophobicContact CZ2-CB 4.11Å; W702-C725 HydrophobicContact CZ3-CB 3.93Å; W702-F727 AromaticContact CE3-CD2 3.71Å; W702-F727 HydrophobicContact CE3-CD2 3.71Å; W702-F727 AromaticContact CE3-CE2 3.99Å; W702-F727 HydrophobicContact CE3-CE2 3.99Å; W702-F727 HydrophobicContact CH2-CD2 4.12Å; W702-F727 AromaticContact CH2-CE2 3.62Å; W702-F727 HydrophobicContact CH2-CE2 3.62Å; W702-F727 HydrophobicContact CH2-CZ 4.46Å; W702-F727 AromaticContact CZ3-CD2 3.23Å; W702-F727 HydrophobicContact CZ3-CD2 3.23Å; W702-F727 AromaticContact CZ3-CE2 3.21Å; W702-F727 HydrophobicContact CZ3-CE2 3.21Å; W702-F727 HydrophobicContact CZ3-CG 4.31Å; W702-F727 HydrophobicContact CZ3-CZ 4.3Å
703	I	97.9	Very high	96.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	116.9	173.8	-55.2	175.9	0	0	0	107.4	I680 V701 P709 L711 V724 C725 I726 F727 L734	I680-I703 CarbonylContact O-C 3.54Å; I680-I703 WeakPolarHBondContact O-CA 3.15Å; V701-I703 HydrophobicContact CG1-CG1 4.21Å; I703-P709 HydrophobicContact CD1-CG 3.54Å; I703-P709 HydrophobicContact CG1-CG 3.8Å; I703-P709 HydrophobicContact CG2-CG 4.08Å; I703-L711 HydrophobicContact CD1-CD1 4.18Å; I703-V724 HydrophobicContact CD1-CG1 4.33Å; I703-C725 PolarHBondContact N-O 2.95Å; I703-I726 HydrophobicContact CB-CG1 4.29Å; I703-I726 HydrophobicContact CB-CG2 4.23Å; I703-I726 HydrophobicContact CD1-CD1 4.23Å; I703-I726 HydrophobicContact CD1-CG1 4.16Å; I703-I726 HydrophobicContact CG2-CG2 4.34Å; I703-I726 CarbonylContact O-C 3.51Å; I703-I726 WeakPolarHBondContact O-CA 3.02Å; I703-F727 PolarHBondContact O-N 3.04Å; I703-L734 HydrophobicContact CD1-CD1 4.16Å
704	K	95.9	Very high	96.8	Very high	37 Å²	37	37 Å²	37	16%	0.161	19%	0.19	C	C	.	.			trans	-147.4	170.9	-179.8	69	175	-169.9	166.7	0	115.8	L679 I680 Y681 G706 S707 F727 P906	L679-K704 HydrophobicContact CD1-CD 4.38Å; L679-K704 HydrophobicContact CD1-CG 4.36Å; I680-K704 PolarHBondContact O-N 2.8Å; Y681-K704 WeakPolarHBondContact CA-O 3.5Å; K704-G706 PolarHBondContact O-N 3.07Å; K704-S707 WeakPolarHBondContact O-CB 3.28Å; K704-S707 PolarHBondContact O-N 3.19Å; K704-S707 PolarHBondContact O-OG 3.28Å; K704-F727 VanDerWaalsContact CA-O 3.22Å; K704-F727 WeakPolarHBondContact CA-O 3.11Å; K704-F727 HydrophobicContact CB-CB 4.32Å; K704-P906 VanDerWaalsContact NZ-CG 3.29Å
705	T	96.1	Very high	96.9	Very high	61 Å²	61	38.6 Å²	38.6	37%	0.374	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	59.1	172.1	-36.3	0	0	0	0	112.3	N682 G683 S707 S728	N682-T705 WeakPolarHBondContact CA-O 3.39Å; N682-T705 PolarHBondContact N-O 3.2Å; N682-T705 VanDerWaalsContact OD1-CB 3.24Å; N682-T705 WeakPolarHBondContact OD1-CB 3.11Å; N682-T705 VanDerWaalsContact OD1-CG2 3.24Å; N682-T705 WeakPolarHBondContact OD1-CG2 3.38Å; N682-T705 PolarHBondContact OD1-OG1 3.31Å; G683-T705 PolarHBondContact N-O 3.1Å; G683-T705 VanDerWaalsContact N-O 3.15Å; T705-S707 PolarHBondContact O-N 3Å; T705-S728 WeakPolarHBondContact CA-O 3.44Å; T705-S728 PolarHBondContact N-O 3.19Å; T705-S728 VanDerWaalsContact N-O 3.07Å
706	G	95.8	Very high	97.1	Very high	35 Å²	35	36.7 Å²	36.7	36%	0.361	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	8.8	177	0	0	0	0	0	115.5	K704 S728 N729	K704-G706 PolarHBondContact O-N 3.07Å; G706-S728 PolarHBondContact N-O 2.97Å; G706-S728 VanDerWaalsContact N-O 3.1Å; G706-N729 WeakPolarHBondContact CA-O 3.36Å
707	S	98.2	Very high	97.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.188	C	C	.	.			trans	-72.3	145.5	-179.8	-60.5	0	0	0	0	112.5	Y681 N682 G683 G684 K704 T705 G731	Y681-S707 WeakPolarHBondContact CA-OG 3.49Å; Y681-S707 PolarHBondContact N-OG 3.16Å; Y681-S707 PolarHBondContact O-OG 2.84Å; N682-S707 PolarHBondContact N-OG 3.11Å; G683-S707 PolarHBondContact N-OG 3.24Å; G684-S707 PolarHBondContact N-OG 2.9Å; G684-S707 WeakPolarHBondContact O-CA 3.34Å; G684-S707 VanDerWaalsContact O-CB 3.28Å; G684-S707 WeakPolarHBondContact O-CB 3.44Å; K704-S707 WeakPolarHBondContact O-CB 3.28Å; K704-S707 PolarHBondContact O-N 3.19Å; K704-S707 PolarHBondContact O-OG 3.28Å; T705-S707 PolarHBondContact O-N 3Å; S707-G731 PolarHBondContact O-N 3.32Å
708	R	98	Very high	97.3	Very high	173 Å²	173	38.9 Å²	38.9	65%	0.653	19%	0.188	S	C	*	.			trans	-139.4	65.4	-174.6	-61.2	-178.3	179.4	-172.3	-1.2	111.7	G684 I685	G684-R708 PolarHBondContact O-N 3.07Å; I685-R708 HydrophobicContact CG2-CB 4.5Å
709	P	98.5	Very high	97.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.174	C	C	.	.			trans	-74.5	168.9	178.2	33.4	-35.9	0	0	0	112.2	I680 G686 I703 G732 V733	I680-P709 HydrophobicContact CB-CG 4.36Å; I680-P709 HydrophobicContact CG1-CB 4.32Å; I680-P709 HydrophobicContact CG1-CG 4.34Å; I680-P709 HydrophobicContact CG2-CB 4.26Å; I680-P709 HydrophobicContact CG2-CG 4.21Å; G686-P709 VanDerWaalsContact O-CA 3.24Å; G686-P709 WeakPolarHBondContact O-CA 3.41Å; G686-P709 WeakPolarHBondContact O-CB 3.16Å; I703-P709 HydrophobicContact CD1-CG 3.54Å; I703-P709 HydrophobicContact CG1-CG 3.8Å; I703-P709 HydrophobicContact CG2-CG 4.08Å; P709-G732 CarbonylContact O-C 3.57Å; P709-G732 WeakPolarHBondContact O-CA 3.34Å; P709-V733 PolarHBondContact O-N 2.91Å
710	V	98.7	Very high	97.2	Very high	40 Å²	40	44.5 Å²	44.5	24%	0.242	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	117.9	165.3	178.7	0	0	0	0	108.5	G686 T687 L688 R712 V733	G686-V710 PolarHBondContact O-N 2.97Å; G686-V710 VanDerWaalsContact O-N 3.12Å; T687-V710 CarbonylContact C-O 3.59Å; T687-V710 WeakPolarHBondContact CA-O 3.35Å; T687-V710 HydrophobicContact CG2-CB 4.23Å; T687-V710 HydrophobicContact CG2-CG1 4.4Å; L688-V710 PolarHBondContact N-O 2.89Å; V710-R712 HydrophobicContact CG1-CB 4.49Å; V710-V733 CarbonylContact C-O 3.53Å; V710-V733 WeakPolarHBondContact CA-O 3.05Å
711	L	98.7	Very high	96.9	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	115.2	172	-55.2	-174.3	0	0	0	108.3	L688 V701 I703 V724 V733 L734 E735 N737	L688-L711 HydrophobicContact CB-CD2 3.62Å; L688-L711 HydrophobicContact CD1-CD2 4.13Å; L688-L711 HydrophobicContact CD2-CD2 3.8Å; L688-L711 HydrophobicContact CG-CD2 4.04Å; L688-L711 CarbonylContact O-C 3.58Å; L688-L711 WeakPolarHBondContact O-CA 3.39Å; V701-L711 HydrophobicContact CB-CD1 4.34Å; V701-L711 HydrophobicContact CG1-CD1 3.96Å; V701-L711 HydrophobicContact CG1-CD2 4.39Å; V701-L711 HydrophobicContact CG2-CD1 4.44Å; I703-L711 HydrophobicContact CD1-CD1 4.18Å; L711-V724 HydrophobicContact CD1-CG1 4.32Å; L711-V724 HydrophobicContact CD1-CG2 4.39Å; L711-V733 PolarHBondContact N-O 3.15Å; L711-L734 HydrophobicContact CB-CD1 4.34Å; L711-L734 HydrophobicContact CB-CG 4.09Å; L711-L734 HydrophobicContact CD1-CD1 3.92Å; L711-L734 HydrophobicContact CD1-CD2 4.44Å; L711-L734 HydrophobicContact CD1-CG 3.89Å; L711-L734 HydrophobicContact CG-CD1 4.15Å; L711-L734 HydrophobicContact CG-CG 4.29Å; L711-L734 CarbonylContact O-C 3.58Å; L711-L734 WeakPolarHBondContact O-CA 3.38Å; L711-E735 PolarHBondContact O-N 2.83Å; L711-N737 PolarHBondContact O-ND2 2.81Å
712	R	98.6	Very high	96.7	Very high	78 Å²	78	45.7 Å²	45.7	29%	0.294	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.3	-175.4	177.8	179.2	-78.2	163.1	-2.9	112.3	L688 E689 E690 V710 N714 E735 N737	L688-R712 PolarHBondContact O-N 2.94Å; E689-R712 CarbonylContact C-O 3.5Å; E689-R712 WeakPolarHBondContact CA-O 3.19Å; E689-R712 HydrophobicContact CG-CB 4.31Å; E689-R712 HydrophobicContact CG-CG 4.3Å; E689-R712 WeakPolarHBondContact OE1-CD 3.35Å; E690-R712 PolarHBondContact N-O 3.24Å; V710-R712 HydrophobicContact CG1-CB 4.49Å; R712-N714 PolarHBondContact N-ND2 3.23Å; R712-N714 PolarHBondContact O-N 2.96Å; R712-N714 PolarHBondContact O-ND2 3.37Å; R712-E735 CarbonylContact C-O 3.56Å; R712-E735 VanDerWaalsContact CA-O 3.24Å; R712-E735 WeakPolarHBondContact CA-O 3.14Å; R712-E735 HydrophobicContact CB-CG 4.31Å; R712-E735 HydrophobicContact CG-CG 4.04Å; R712-E735 IonicContact CZ-OE1 3.56Å; R712-E735 IonicContact NE-OE1 3.98Å; R712-E735 PolarHBondContact NE-OE1 2.81Å; R712-E735 IonicContact NH2-OE1 3.14Å; R712-E735 PolarHBondContact NH2-OE1 3.38Å; R712-N737 PolarHBondContact N-OD1 2.99Å
713	R	98.8	Very high	96.7	Very high	104 Å²	104	43.5 Å²	43.5	39%	0.392	21%	0.205	S	C	.	.	S	Bend	trans	54	26.7	173.8	-62	-169.4	-61	-81.8	1.5	115.3	E689 E690 E735 D736 N737	E689-R713 IonicContact OE1-CZ 2.67Å; E689-R713 IonicContact OE1-NH1 2.89Å; E689-R713 IonicContact OE1-NH2 3.29Å; E689-R713 PolarHBondContact OE1-NH2 3.07Å; E690-R713 VanDerWaalsContact CA-O 3.3Å; E690-R713 WeakPolarHBondContact CA-O 3.49Å; E690-R713 HydrophobicContact CG-CB 3.98Å; E690-R713 IonicContact OE1-CZ 2.76Å; E690-R713 IonicContact OE1-NE 3.72Å; E690-R713 PolarHBondContact OE1-NE 3.24Å; E690-R713 IonicContact OE1-NH2 3.1Å; E690-R713 PolarHBondContact OE1-NH2 3.23Å; R713-E735 PolarHBondContact N-O 3.49Å; R713-D736 VanDerWaalsContact CA-O 3.26Å; R713-D736 WeakPolarHBondContact CA-O 3.2Å; R713-D736 HydrophobicContact CG-CB 3.84Å; R713-N737 PolarHBondContact N-OD1 2.8Å
714	N	98.8	Very high	96.7	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	21%	0.205	C	C	.	.			trans	-85.2	151.9	177.4	-56.7	-82.3	0	0	0	111.1	L688 N691 R712 I716 N737 E738	L688-N714 PolarHBondContact O-ND2 3.06Å; N691-N714 VanDerWaalsContact CB-OD1 3.31Å; N691-N714 WeakPolarHBondContact CB-OD1 3.42Å; N691-N714 PolarHBondContact N-OD1 3.5Å; N691-N714 PolarHBondContact ND2-OD1 2.81Å; N691-N714 CarbonylContact O-C 3.58Å; N691-N714 WeakPolarHBondContact O-CA 3.28Å; R712-N714 PolarHBondContact N-ND2 3.23Å; R712-N714 PolarHBondContact O-N 2.96Å; R712-N714 PolarHBondContact O-ND2 3.37Å; N714-I716 HydrophobicContact CB-CD1 4.39Å; N714-I716 HydrophobicContact CB-CG1 4.16Å; N714-N737 WeakPolarHBondContact CB-OD1 3.39Å; N714-N737 PolarHBondContact N-OD1 3.04Å; N714-N737 PolarHBondContact ND2-OD1 2.82Å; N714-N737 CarbonylContact O-C 3.56Å; N714-N737 WeakPolarHBondContact O-CA 3.37Å; N714-N737 WeakPolarHBondContact O-CB 3.35Å; N714-E738 PolarHBondContact O-N 3.07Å
715	K	98.8	Very high	96.7	Very high	83 Å²	83	41.8 Å²	41.8	36%	0.361	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	113.8	168	-65.9	-179.6	179.3	174.6	0	109.2	N691 E692 I693 F717 E738	N691-K715 PolarHBondContact O-N 2.92Å; E692-K715 WeakPolarHBondContact CA-O 3.44Å; E692-K715 HydrophobicContact CG-CB 4.39Å; I693-K715 PolarHBondContact N-O 3.15Å; K715-F717 HydrophobicContact CB-CD1 4.28Å; K715-F717 HydrophobicContact CB-CE1 4.36Å; K715-E738 CarbonylContact C-O 3.57Å; K715-E738 WeakPolarHBondContact CA-O 3.43Å; K715-E738 WeakPolarHBondContact CE-OE1 3.28Å; K715-E738 HydrophobicContact CG-CB 4.3Å
716	I	98.6	Very high	96.8	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	107.6	-175.1	-53.2	172.6	0	0	0	109.8	I693 V701 N714 G723 V724 E738 I739 F740 N742	I693-I716 HydrophobicContact CB-CG1 4.42Å; I693-I716 VanDerWaalsContact O-CA 3.31Å; I693-I716 WeakPolarHBondContact O-CA 3.14Å; V701-I716 HydrophobicContact CG2-CD1 3.82Å; N714-I716 HydrophobicContact CB-CD1 4.39Å; N714-I716 HydrophobicContact CB-CG1 4.16Å; I716-G723 WeakPolarHBondContact CG2-O 3.38Å; I716-V724 HydrophobicContact CD1-CG2 3.58Å; I716-E738 PolarHBondContact N-O 3.24Å; I716-I739 HydrophobicContact CB-CG1 4.36Å; I716-I739 HydrophobicContact CB-CG2 4.49Å; I716-I739 HydrophobicContact CD1-CG1 4.43Å; I716-I739 WeakPolarHBondContact O-CA 3.19Å; I716-F740 PolarHBondContact O-N 3.12Å; I716-N742 PolarHBondContact O-ND2 2.8Å; I716-N742 VanDerWaalsContact O-ND2 3.08Å
717	F	97.9	Very high	96.8	Very high	55 Å²	55	39 Å²	39	24%	0.241	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	155.5	-168.7	66.6	-85	0	0	0	116.5	I693 F694 G695 K715 S719 F740 N742	I693-F717 PolarHBondContact O-N 2.84Å; F694-F717 WeakPolarHBondContact CA-O 3.37Å; F694-F717 HydrophobicContact CB-CD1 3.95Å; F694-F717 HydrophobicContact CB-CD2 3.85Å; F694-F717 HydrophobicContact CB-CE1 3.69Å; F694-F717 HydrophobicContact CB-CE2 3.59Å; F694-F717 HydrophobicContact CB-CG 4.02Å; F694-F717 HydrophobicContact CB-CZ 3.5Å; F694-F717 VanDerWaalsContact CB-CZ 3.5Å; F694-F717 WeakPolarHBondContact CB-O 3.26Å; F694-F717 HydrophobicContact CD1-CE1 4.19Å; F694-F717 AromaticContact CD1-CZ 3.94Å; F694-F717 HydrophobicContact CD1-CZ 3.94Å; F694-F717 HydrophobicContact CD2-CE2 4.36Å; F694-F717 HydrophobicContact CD2-CZ 4.32Å; F694-F717 HydrophobicContact CG-CE1 4.14Å; F694-F717 AromaticContact CG-CE2 4Å; F694-F717 HydrophobicContact CG-CE2 4Å; F694-F717 AromaticContact CG-CZ 3.67Å; F694-F717 HydrophobicContact CG-CZ 3.67Å; G695-F717 PolarHBondContact N-O 3.05Å; K715-F717 HydrophobicContact CB-CD1 4.28Å; K715-F717 HydrophobicContact CB-CE1 4.36Å; F717-S719 PolarHBondContact O-N 2.97Å; F717-F740 WeakPolarHBondContact CA-O 3.39Å; F717-F740 HydrophobicContact CB-CD1 3.99Å; F717-F740 HydrophobicContact CB-CD2 3.7Å; F717-F740 HydrophobicContact CB-CE1 3.78Å; F717-F740 HydrophobicContact CB-CE2 3.47Å; F717-F740 VanDerWaalsContact CB-CE2 3.47Å; F717-F740 HydrophobicContact CB-CG 3.95Å; F717-F740 HydrophobicContact CB-CZ 3.51Å; F717-F740 WeakPolarHBondContact CB-O 3.26Å; F717-F740 AromaticContact CD1-CE1 3.88Å; F717-F740 HydrophobicContact CD1-CE1 3.88Å; F717-F740 HydrophobicContact CD1-CE2 4.22Å; F717-F740 AromaticContact CD1-CZ 3.51Å; F717-F740 HydrophobicContact CD1-CZ 3.51Å; F717-F740 AromaticContact CD2-CE2 3.96Å; F717-F740 HydrophobicContact CD2-CE2 3.96Å; F717-F740 HydrophobicContact CD2-CZ 4.05Å; F717-F740 HydrophobicContact CE1-CZ 4.22Å; F717-F740 HydrophobicContact CG-CD2 4.37Å; F717-F740 HydrophobicContact CG-CE1 4Å; F717-F740 AromaticContact CG-CE2 3.63Å; F717-F740 HydrophobicContact CG-CE2 3.63Å; F717-F740 AromaticContact CG-CZ 3.41Å; F717-F740 HydrophobicContact CG-CZ 3.41Å; F717-F740 VanDerWaalsContact CG-CZ 3.41Å; F717-N742 VanDerWaalsContact C-OD1 3.27Å; F717-N742 WeakPolarHBondContact CA-OD1 3.39Å
718	G	94.6	Very high	96.7	Very high	35 Å²	35	41.6 Å²	41.6	36%	0.361	19%	0.188	S	C	.	.			trans	67.3	16	172.1	0	0	0	0	0	115.2	G695 R741 N742	G695-G718 WeakPolarHBondContact CA-O 3.44Å; G718-R741 WeakPolarHBondContact CA-O 3.41Å; G718-R741 PolarHBondContact N-O 3.22Å; G718-N742 PolarHBondContact N-OD1 3Å
719	S	93.8	Very high	96.6	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.021	18%	0.184	C	C	.	.			trans	-70.5	149	169.7	-68.3	0	0	0	0	110.8	N696 M698 G700 F717 D721 N742 A743	N696-S719 WeakPolarHBondContact O-CA 3.22Å; M698-S719 WeakPolarHBondContact O-CB 3.37Å; G700-S719 WeakPolarHBondContact CA-OG 3.14Å; G700-S719 PolarHBondContact N-OG 3.05Å; F717-S719 PolarHBondContact O-N 2.97Å; S719-D721 PolarHBondContact O-N 2.99Å; S719-N742 WeakPolarHBondContact CB-OD1 3.38Å; S719-N742 PolarHBondContact N-OD1 3.32Å; S719-A743 PolarHBondContact O-N 2.89Å
720	R	92.4	Very high	96.5	Very high	181 Å²	181	38.3 Å²	38.3	68%	0.683	18%	0.184	S	C	*	.	S	Bend	trans	-76.9	-0.3	179.5	-63.6	-173.7	-178.3	-178.1	-2.4	114.5	N696 A697 A743	N696-R720 PolarHBondContact O-N 3.4Å; A697-R720 WeakPolarHBondContact O-CB 3.04Å; R720-A743 WeakPolarHBondContact O-CB 3.45Å
721	D	90.5	Very high	96.4	Very high	26 Å²	26	36.7 Å²	36.7	14%	0.139	18%	0.175	C	C	.	.	S	Bend	trans	-130.7	-153.7	177.6	-170.9	-0.7	0	0	0	107.9	A699 S719 A743 H744	A699-D721 HydrophobicContact CB-CB 4.49Å; S719-D721 PolarHBondContact O-N 2.99Å; D721-A743 PolarHBondContact O-N 2.79Å; D721-H744 PolarHBondContact O-N 3.44Å; D721-H744 IonicContact OD1-CE1 3.54Å; D721-H744 IonicContact OD1-CG 3.52Å; D721-H744 IonicContact OD1-ND1 3.6Å; D721-H744 PolarHBondContact OD1-ND1 3.02Å; D721-H744 VanDerWaalsContact OD1-ND1 3.14Å
722	A	93.5	Very high	96.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.182	C	C	.	.			trans	-64.6	158.3	174.8	0	0	0	0	0	112.7	A699 G700 A745 L748	A699-A722 WeakPolarHBondContact CA-O 3.08Å; A699-A722 VanDerWaalsContact CB-O 3.29Å; A699-A722 WeakPolarHBondContact CB-O 3.36Å; G700-A722 PolarHBondContact N-O 2.84Å; A722-A745 CarbonylContact C-O 3.59Å; A722-A745 WeakPolarHBondContact CA-O 3.45Å; A722-A745 HydrophobicContact CB-CB 4.47Å; A722-A745 VanDerWaalsContact CB-O 3.27Å; A722-A745 WeakPolarHBondContact CB-O 3.29Å; A722-L748 HydrophobicContact CB-CB 4.1Å
723	G	96.4	Very high	96.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-64.2	-56.3	171	0	0	0	0	0	111	G700 V701 I716 N742 A745 G746	G700-G723 CarbonylContact C-O 3.57Å; G700-G723 VanDerWaalsContact CA-O 3.24Å; G700-G723 WeakPolarHBondContact CA-O 3.36Å; G700-G723 PolarHBondContact N-O 3.07Å; V701-G723 PolarHBondContact N-O 2.89Å; I716-G723 WeakPolarHBondContact CG2-O 3.38Å; G723-N742 VanDerWaalsContact CA-CG 3.44Å; G723-N742 VanDerWaalsContact CA-ND2 3.29Å; G723-N742 WeakPolarHBondContact CA-ND2 3.29Å; G723-A745 PolarHBondContact N-O 3.23Å; G723-G746 CarbonylContact C-O 3.46Å; G723-G746 VanDerWaalsContact CA-O 3.22Å; G723-G746 WeakPolarHBondContact CA-O 3.12Å; G723-G746 PolarHBondContact N-O 3.17Å; G723-G746 VanDerWaalsContact N-O 3.12Å
724	V	98.1	Very high	96.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.3	175	-174.2	0	0	0	0	110.5	V701 I703 L711 I716 I726 L734 I739 G746 V747 L748	V701-V724 HydrophobicContact CB-CG1 4.25Å; V701-V724 HydrophobicContact CB-CG2 4.26Å; V701-V724 CarbonylContact O-C 3.57Å; V701-V724 WeakPolarHBondContact O-CA 3.3Å; I703-V724 HydrophobicContact CD1-CG1 4.33Å; L711-V724 HydrophobicContact CD1-CG1 4.32Å; L711-V724 HydrophobicContact CD1-CG2 4.39Å; I716-V724 HydrophobicContact CD1-CG2 3.58Å; V724-I726 HydrophobicContact CG1-CD1 4.19Å; V724-I726 HydrophobicContact CG1-CG1 3.91Å; V724-L734 HydrophobicContact CB-CD2 4.4Å; V724-L734 HydrophobicContact CG1-CD2 4.14Å; V724-L734 HydrophobicContact CG2-CD2 4.35Å; V724-I739 HydrophobicContact CG2-CD1 3.91Å; V724-G746 PolarHBondContact N-O 3.05Å; V724-V747 HydrophobicContact CB-CG1 4.32Å; V724-V747 HydrophobicContact CB-CG2 4.32Å; V724-V747 CarbonylContact O-C 3.55Å; V724-V747 WeakPolarHBondContact O-CA 3.24Å; V724-L748 PolarHBondContact O-N 3.03Å
725	C	96.9	Very high	96.3	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.007	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.8	177.3	-88	0	0	0	0	109.9	A699 V701 W702 I703 F727	A699-C725 HydrophobicContact CB-CB 3.88Å; A699-C725 VanDerWaalsContact CB-SG 3.58Å; V701-C725 PolarHBondContact O-N 3.03Å; W702-C725 CarbonylContact C-O 3.59Å; W702-C725 WeakPolarHBondContact CA-O 3.36Å; W702-C725 HydrophobicContact CD2-CB 3.66Å; W702-C725 HydrophobicContact CE3-CB 3.66Å; W702-C725 HydrophobicContact CG-CB 4.22Å; W702-C725 HydrophobicContact CH2-CB 4.12Å; W702-C725 HydrophobicContact CZ2-CB 4.11Å; W702-C725 HydrophobicContact CZ3-CB 3.93Å; I703-C725 PolarHBondContact N-O 2.95Å; C725-F727 HydrophobicContact CB-CD2 3.93Å; C725-F727 HydrophobicContact CB-CE2 3.53Å
726	I	97.7	Very high	96.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	112.7	-177.7	-48.2	-179	0	0	0	109	I703 V724 L734 V747 L748 I749 S750 S753 P755	I703-I726 HydrophobicContact CB-CG1 4.29Å; I703-I726 HydrophobicContact CB-CG2 4.23Å; I703-I726 HydrophobicContact CD1-CD1 4.23Å; I703-I726 HydrophobicContact CD1-CG1 4.16Å; I703-I726 HydrophobicContact CG2-CG2 4.34Å; I703-I726 CarbonylContact O-C 3.51Å; I703-I726 WeakPolarHBondContact O-CA 3.02Å; V724-I726 HydrophobicContact CG1-CD1 4.19Å; V724-I726 HydrophobicContact CG1-CG1 3.91Å; I726-L734 HydrophobicContact CD1-CD1 4.32Å; I726-L734 HydrophobicContact CD1-CD2 4.34Å; I726-V747 HydrophobicContact CD1-CG1 4.21Å; I726-L748 PolarHBondContact N-O 3.49Å; I726-I749 HydrophobicContact CB-CG2 4.4Å; I726-I749 HydrophobicContact CD1-CG1 4.48Å; I726-S750 PolarHBondContact O-N 3.19Å; I726-S753 PolarHBondContact O-OG 3.45Å; I726-P755 HydrophobicContact CD1-CB 3.78Å; I726-P755 HydrophobicContact CD1-CG 3.67Å; I726-P755 HydrophobicContact CG2-CG 4.41Å
727	F	95.4	Very high	96.3	Very high	38 Å²	38	30.9 Å²	30.9	17%	0.167	17%	0.166	C	C	.	.			trans	-135.7	166.7	-170.3	-69.1	-79.7	0	0	0	112.8	W702 I703 K704 C725 N729 G730 L748 S750 S753	W702-F727 AromaticContact CE3-CD2 3.71Å; W702-F727 HydrophobicContact CE3-CD2 3.71Å; W702-F727 AromaticContact CE3-CE2 3.99Å; W702-F727 HydrophobicContact CE3-CE2 3.99Å; W702-F727 HydrophobicContact CH2-CD2 4.12Å; W702-F727 AromaticContact CH2-CE2 3.62Å; W702-F727 HydrophobicContact CH2-CE2 3.62Å; W702-F727 HydrophobicContact CH2-CZ 4.46Å; W702-F727 AromaticContact CZ3-CD2 3.23Å; W702-F727 HydrophobicContact CZ3-CD2 3.23Å; W702-F727 AromaticContact CZ3-CE2 3.21Å; W702-F727 HydrophobicContact CZ3-CE2 3.21Å; W702-F727 HydrophobicContact CZ3-CG 4.31Å; W702-F727 HydrophobicContact CZ3-CZ 4.3Å; I703-F727 PolarHBondContact O-N 3.04Å; K704-F727 VanDerWaalsContact CA-O 3.22Å; K704-F727 WeakPolarHBondContact CA-O 3.11Å; K704-F727 HydrophobicContact CB-CB 4.32Å; C725-F727 HydrophobicContact CB-CD2 3.93Å; C725-F727 HydrophobicContact CB-CE2 3.53Å; F727-N729 PolarHBondContact O-N 3.3Å; F727-G730 WeakPolarHBondContact O-CA 3.34Å; F727-G730 PolarHBondContact O-N 2.86Å; F727-L748 HydrophobicContact CE2-CD2 4.41Å; F727-L748 HydrophobicContact CZ-CD2 3.67Å; F727-L748 HydrophobicContact CZ-CG 4.04Å; F727-S750 VanDerWaalsContact CD1-CB 3.45Å; F727-S753 VanDerWaalsContact CA-OG 3.31Å; F727-S753 WeakPolarHBondContact CA-OG 3.33Å; F727-S753 PolarHBondContact N-OG 3.02Å; F727-S753 PolarHBondContact O-OG 2.99Å
728	S	95.5	Very high	96.3	Very high	54 Å²	54	31.3 Å²	31.3	38%	0.378	17%	0.169	S	C	.	.	S	Bend	trans	46.5	63.8	169.8	-49.3	0	0	0	0	113.8	T705 G706 G730 S751	T705-S728 WeakPolarHBondContact CA-O 3.44Å; T705-S728 PolarHBondContact N-O 3.19Å; T705-S728 VanDerWaalsContact N-O 3.07Å; G706-S728 PolarHBondContact N-O 2.97Å; G706-S728 VanDerWaalsContact N-O 3.1Å; S728-G730 PolarHBondContact O-N 2.93Å; S728-S751 WeakPolarHBondContact CA-O 3.45Å; S728-S751 VanDerWaalsContact N-CB 3.34Å; S728-S751 PolarHBondContact N-O 3.39Å
729	N	96.5	Very high	96.5	Very high	104 Å²	104	29.7 Å²	29.7	56%	0.556	15%	0.152	S	C	*	.	S	Bend	trans	59.8	26.8	-175.9	-56	-78.1	0	0	0	113.6	G706 F727 S751 E752	G706-N729 WeakPolarHBondContact CA-O 3.36Å; F727-N729 PolarHBondContact O-N 3.3Å; N729-S751 PolarHBondContact N-O 3.15Å; N729-E752 WeakPolarHBondContact OD1-CB 3.39Å
730	G	96.6	Very high	96.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.156	C	C	.	.			trans	-65.2	147.8	173	0	0	0	0	0	110.8	F727 S728 S753 N754	F727-G730 WeakPolarHBondContact O-CA 3.34Å; F727-G730 PolarHBondContact O-N 2.86Å; S728-G730 PolarHBondContact O-N 2.93Å; G730-S753 PolarHBondContact N-OG 3.35Å; G730-S753 VanDerWaalsContact N-OG 3.16Å; G730-S753 CarbonylContact O-C 3.58Å; G730-S753 VanDerWaalsContact O-CA 3.22Å; G730-S753 WeakPolarHBondContact O-CA 3.36Å; G730-S753 WeakPolarHBondContact O-CB 3.24Å; G730-N754 PolarHBondContact O-N 2.94Å
731	G	96.3	Very high	96.9	Very high	5 Å²	5	29.5 Å²	29.5	5%	0.052	15%	0.151	C	C	.	.			trans	-148.3	-144.1	177.8	0	0	0	0	0	111.1	S707	S707-G731 PolarHBondContact O-N 3.32Å
732	G	96.9	Very high	97.1	Very high	16 Å²	16	28.3 Å²	28.3	17%	0.165	15%	0.145	C	C	.	.			trans	98.9	-174.1	-178	0	0	0	0	0	112.8	P709 T756	P709-G732 CarbonylContact O-C 3.57Å; P709-G732 WeakPolarHBondContact O-CA 3.34Å; G732-T756 PolarHBondContact O-N 2.86Å
733	V	98.6	Very high	97	Very high	51 Å²	51	29.8 Å²	29.8	31%	0.309	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.7	-174.5	-178.7	0	0	0	0	109.1	P709 V710 L711 E735 T756	P709-V733 PolarHBondContact O-N 2.91Å; V710-V733 CarbonylContact C-O 3.53Å; V710-V733 WeakPolarHBondContact CA-O 3.05Å; L711-V733 PolarHBondContact N-O 3.15Å; V733-E735 HydrophobicContact CG1-CB 4.37Å; V733-T756 WeakPolarHBondContact CA-O 3.41Å
734	L	98.6	Very high	96.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	108.6	169.3	-82.3	60	0	0	0	106.8	I703 L711 V724 I726 V747 T756 L757 R758 N760	I703-L734 HydrophobicContact CD1-CD1 4.16Å; L711-L734 HydrophobicContact CB-CD1 4.34Å; L711-L734 HydrophobicContact CB-CG 4.09Å; L711-L734 HydrophobicContact CD1-CD1 3.92Å; L711-L734 HydrophobicContact CD1-CD2 4.44Å; L711-L734 HydrophobicContact CD1-CG 3.89Å; L711-L734 HydrophobicContact CG-CD1 4.15Å; L711-L734 HydrophobicContact CG-CG 4.29Å; L711-L734 CarbonylContact O-C 3.58Å; L711-L734 WeakPolarHBondContact O-CA 3.38Å; V724-L734 HydrophobicContact CB-CD2 4.4Å; V724-L734 HydrophobicContact CG1-CD2 4.14Å; V724-L734 HydrophobicContact CG2-CD2 4.35Å; I726-L734 HydrophobicContact CD1-CD1 4.32Å; I726-L734 HydrophobicContact CD1-CD2 4.34Å; L734-V747 HydrophobicContact CD2-CG1 4.44Å; L734-V747 HydrophobicContact CD2-CG2 4.36Å; L734-T756 PolarHBondContact N-O 2.98Å; L734-L757 HydrophobicContact CB-CD1 4.42Å; L734-L757 HydrophobicContact CB-CG 4.14Å; L734-L757 HydrophobicContact CD2-CD1 4.22Å; L734-L757 HydrophobicContact CD2-CG 4.16Å; L734-L757 CarbonylContact O-C 3.55Å; L734-L757 WeakPolarHBondContact O-CA 3.42Å; L734-R758 PolarHBondContact O-N 2.95Å; L734-N760 PolarHBondContact O-ND2 3.1Å; L734-N760 PolarHBondContact O-OD1 3.15Å
735	E	98.4	Very high	96.4	Very high	25 Å²	25	30.3 Å²	30.3	12%	0.117	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	142.3	174.9	85.5	175.8	176.8	0	0	115.6	L711 R712 R713 V733 N737 R758 R759	L711-E735 PolarHBondContact O-N 2.83Å; R712-E735 CarbonylContact C-O 3.56Å; R712-E735 VanDerWaalsContact CA-O 3.24Å; R712-E735 WeakPolarHBondContact CA-O 3.14Å; R712-E735 HydrophobicContact CB-CG 4.31Å; R712-E735 HydrophobicContact CG-CG 4.04Å; R712-E735 IonicContact CZ-OE1 3.56Å; R712-E735 IonicContact NE-OE1 3.98Å; R712-E735 PolarHBondContact NE-OE1 2.81Å; R712-E735 IonicContact NH2-OE1 3.14Å; R712-E735 PolarHBondContact NH2-OE1 3.38Å; R713-E735 PolarHBondContact N-O 3.49Å; V733-E735 HydrophobicContact CG1-CB 4.37Å; E735-N737 PolarHBondContact N-ND2 2.83Å; E735-N737 VanDerWaalsContact N-ND2 3.16Å; E735-N737 PolarHBondContact O-N 2.82Å; E735-N737 PolarHBondContact O-ND2 2.96Å; E735-R758 WeakPolarHBondContact CA-O 3.22Å; E735-R758 HydrophobicContact CB-CB 4.25Å; E735-R759 IonicContact OE2-CZ 3.71Å; E735-R759 IonicContact OE2-NH2 2.79Å; E735-R759 PolarHBondContact OE2-NH2 3.18Å
736	D	98.7	Very high	96.3	Very high	53 Å²	53	30.3 Å²	30.3	28%	0.283	16%	0.16	S	C	.	.	S	Bend	trans	55.9	23.6	173.3	-54.2	-58.8	0	0	0	114	R713 R758 R759	R713-D736 VanDerWaalsContact CA-O 3.26Å; R713-D736 WeakPolarHBondContact CA-O 3.2Å; R713-D736 HydrophobicContact CG-CB 3.84Å; D736-R758 PolarHBondContact N-O 2.87Å; D736-R759 WeakPolarHBondContact CA-O 3.22Å; D736-R759 WeakPolarHBondContact OD1-CB 3.42Å; D736-R759 IonicContact OD1-CZ 3.15Å; D736-R759 IonicContact OD1-NE 2.72Å; D736-R759 PolarHBondContact OD1-NE 2.86Å; D736-R759 IonicContact OD1-NH2 3.54Å; D736-R759 IonicContact OD2-CZ 3.78Å; D736-R759 IonicContact OD2-NE 2.78Å; D736-R759 IonicContact OD2-NH2 2.71Å; D736-R759 PolarHBondContact OD2-NH2 3.23Å
737	N	98.8	Very high	96.3	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.011	16%	0.16	C	C	.	.			trans	-86.6	149.1	179.9	-54.8	-82.2	0	0	0	111.5	L711 R712 R713 N714 E735 I739 N760 M761	L711-N737 PolarHBondContact O-ND2 2.81Å; R712-N737 PolarHBondContact N-OD1 2.99Å; R713-N737 PolarHBondContact N-OD1 2.8Å; N714-N737 WeakPolarHBondContact CB-OD1 3.39Å; N714-N737 PolarHBondContact N-OD1 3.04Å; N714-N737 PolarHBondContact ND2-OD1 2.82Å; N714-N737 CarbonylContact O-C 3.56Å; N714-N737 WeakPolarHBondContact O-CA 3.37Å; N714-N737 WeakPolarHBondContact O-CB 3.35Å; E735-N737 PolarHBondContact N-ND2 2.83Å; E735-N737 VanDerWaalsContact N-ND2 3.16Å; E735-N737 PolarHBondContact O-N 2.82Å; E735-N737 PolarHBondContact O-ND2 2.96Å; N737-I739 HydrophobicContact CB-CG1 4.27Å; N737-N760 VanDerWaalsContact CB-OD1 3.3Å; N737-N760 WeakPolarHBondContact CB-OD1 3.22Å; N737-N760 PolarHBondContact N-OD1 3.49Å; N737-N760 PolarHBondContact ND2-OD1 3.29Å; N737-N760 CarbonylContact O-C 3.55Å; N737-N760 WeakPolarHBondContact O-CA 3.35Å; N737-M761 PolarHBondContact O-N 2.78Å
738	E	98.8	Very high	96.3	Very high	64 Å²	64	29 Å²	29	30%	0.299	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	113.8	168.4	-66	179.1	-118.2	0	0	109.2	N714 K715 I716 F740 M761	N714-E738 PolarHBondContact O-N 3.07Å; K715-E738 CarbonylContact C-O 3.57Å; K715-E738 WeakPolarHBondContact CA-O 3.43Å; K715-E738 WeakPolarHBondContact CE-OE1 3.28Å; K715-E738 HydrophobicContact CG-CB 4.3Å; I716-E738 PolarHBondContact N-O 3.24Å; E738-F740 HydrophobicContact CB-CD1 4.19Å; E738-F740 HydrophobicContact CB-CE1 4.3Å; E738-M761 CarbonylContact C-O 3.59Å; E738-M761 WeakPolarHBondContact CA-O 3.38Å; E738-M761 HydrophobicContact CG-CB 4.41Å
739	I	98.6	Very high	96.4	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	110.2	-177.9	-53.2	173.2	0	0	0	108.7	I716 V724 N737 G746 V747 M761 I762 Y763	I716-I739 HydrophobicContact CB-CG1 4.36Å; I716-I739 HydrophobicContact CB-CG2 4.49Å; I716-I739 HydrophobicContact CD1-CG1 4.43Å; I716-I739 WeakPolarHBondContact O-CA 3.19Å; V724-I739 HydrophobicContact CG2-CD1 3.91Å; N737-I739 HydrophobicContact CB-CG1 4.27Å; I739-G746 WeakPolarHBondContact CG2-O 3.03Å; I739-V747 HydrophobicContact CD1-CG2 3.53Å; I739-M761 PolarHBondContact N-O 2.8Å; I739-I762 HydrophobicContact CB-CG1 4.32Å; I739-I762 HydrophobicContact CB-CG2 4.45Å; I739-I762 HydrophobicContact CD1-CG1 4.41Å; I739-I762 CarbonylContact O-C 3.5Å; I739-I762 VanDerWaalsContact O-CA 3.28Å; I739-I762 WeakPolarHBondContact O-CA 3.44Å; I739-Y763 PolarHBondContact O-N 2.98Å
740	F	98.2	Very high	96.3	Very high	24 Å²	24	21.8 Å²	21.8	11%	0.105	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	157.5	-168.5	63.4	-85.8	0	0	0	115	I716 F717 E738 N742 Y763	I716-F740 PolarHBondContact O-N 3.12Å; F717-F740 WeakPolarHBondContact CA-O 3.39Å; F717-F740 HydrophobicContact CB-CD1 3.99Å; F717-F740 HydrophobicContact CB-CD2 3.7Å; F717-F740 HydrophobicContact CB-CE1 3.78Å; F717-F740 HydrophobicContact CB-CE2 3.47Å; F717-F740 VanDerWaalsContact CB-CE2 3.47Å; F717-F740 HydrophobicContact CB-CG 3.95Å; F717-F740 HydrophobicContact CB-CZ 3.51Å; F717-F740 WeakPolarHBondContact CB-O 3.26Å; F717-F740 AromaticContact CD1-CE1 3.88Å; F717-F740 HydrophobicContact CD1-CE1 3.88Å; F717-F740 HydrophobicContact CD1-CE2 4.22Å; F717-F740 AromaticContact CD1-CZ 3.51Å; F717-F740 HydrophobicContact CD1-CZ 3.51Å; F717-F740 AromaticContact CD2-CE2 3.96Å; F717-F740 HydrophobicContact CD2-CE2 3.96Å; F717-F740 HydrophobicContact CD2-CZ 4.05Å; F717-F740 HydrophobicContact CE1-CZ 4.22Å; F717-F740 HydrophobicContact CG-CD2 4.37Å; F717-F740 HydrophobicContact CG-CE1 4Å; F717-F740 AromaticContact CG-CE2 3.63Å; F717-F740 HydrophobicContact CG-CE2 3.63Å; F717-F740 AromaticContact CG-CZ 3.41Å; F717-F740 HydrophobicContact CG-CZ 3.41Å; F717-F740 VanDerWaalsContact CG-CZ 3.41Å; E738-F740 HydrophobicContact CB-CD1 4.19Å; E738-F740 HydrophobicContact CB-CE1 4.3Å; F740-N742 PolarHBondContact O-N 3.24Å; F740-N742 PolarHBondContact O-ND2 3.06Å; F740-Y763 WeakPolarHBondContact CA-O 3.28Å; F740-Y763 HydrophobicContact CB-CD1 3.92Å; F740-Y763 HydrophobicContact CB-CD2 3.92Å; F740-Y763 HydrophobicContact CB-CE1 3.67Å; F740-Y763 HydrophobicContact CB-CE2 3.67Å; F740-Y763 HydrophobicContact CB-CG 4.03Å; F740-Y763 WeakPolarHBondContact CB-O 3.35Å; F740-Y763 AromaticContact CD1-CE1 3.99Å; F740-Y763 HydrophobicContact CD1-CE1 3.99Å; F740-Y763 AromaticContact CD1-CZ 3.8Å; F740-Y763 WeakPolarHBondContact CD1-OH 3.05Å; F740-Y763 HydrophobicContact CD2-CE2 4.38Å; F740-Y763 HydrophobicContact CG-CE1 4.03Å; F740-Y763 HydrophobicContact CG-CE2 4.01Å; F740-Y763 AromaticContact CG-CZ 3.6Å
741	R	95.9	Very high	96.2	Very high	155 Å²	155	23.9 Å²	23.9	59%	0.585	13%	0.127	S	C	*	.	S	Bend	trans	52	28.8	173.9	-63.5	175.1	-175.6	173.8	0.5	114.4	G718 Y763 N764	G718-R741 WeakPolarHBondContact CA-O 3.41Å; G718-R741 PolarHBondContact N-O 3.22Å; R741-Y763 PolarHBondContact N-O 3.07Å; R741-N764 VanDerWaalsContact CA-O 3.24Å; R741-N764 WeakPolarHBondContact CA-O 3.22Å; R741-N764 HydrophobicContact CG-CB 4.15Å; R741-N764 PolarHBondContact N-O 2.8Å
742	N	94.7	Very high	96.1	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	15%	0.151	C	C	.	.			trans	-81.1	150.2	170.4	-63.7	-65.2	0	0	0	109.1	I716 F717 G718 S719 G723 F740 H744 H766	I716-N742 PolarHBondContact O-ND2 2.8Å; I716-N742 VanDerWaalsContact O-ND2 3.08Å; F717-N742 VanDerWaalsContact C-OD1 3.27Å; F717-N742 WeakPolarHBondContact CA-OD1 3.39Å; G718-N742 PolarHBondContact N-OD1 3Å; S719-N742 WeakPolarHBondContact CB-OD1 3.38Å; S719-N742 PolarHBondContact N-OD1 3.32Å; G723-N742 VanDerWaalsContact CA-CG 3.44Å; G723-N742 VanDerWaalsContact CA-ND2 3.29Å; G723-N742 WeakPolarHBondContact CA-ND2 3.29Å; F740-N742 PolarHBondContact O-N 3.24Å; F740-N742 PolarHBondContact O-ND2 3.06Å; N742-H744 PolarHBondContact O-N 2.84Å; N742-H766 PolarHBondContact O-N 2.91Å
743	A	91.5	Very high	96.2	Very high	32 Å²	32	28.5 Å²	28.5	26%	0.264	14%	0.143	S	C	.	.	S	Bend	trans	-67.5	-24.6	-172.9	0	0	0	0	0	112.7	S719 R720 D721 H766	S719-A743 PolarHBondContact O-N 2.89Å; R720-A743 WeakPolarHBondContact O-CB 3.45Å; D721-A743 PolarHBondContact O-N 2.79Å; A743-H766 WeakPolarHBondContact O-CB 3.35Å
744	H	88.1	Confident	96.1	Very high	9 Å²	9	30.7 Å²	30.7	4%	0.042	15%	0.153	C	C	.	.	S	Bend	trans	-118.8	-139.7	176.2	-58.5	179.2	0	0	0	111.4	D721 N742 G767 T832	D721-H744 PolarHBondContact O-N 3.44Å; D721-H744 IonicContact OD1-CE1 3.54Å; D721-H744 IonicContact OD1-CG 3.52Å; D721-H744 IonicContact OD1-ND1 3.6Å; D721-H744 PolarHBondContact OD1-ND1 3.02Å; D721-H744 VanDerWaalsContact OD1-ND1 3.14Å; N742-H744 PolarHBondContact O-N 2.84Å; H744-G767 WeakPolarHBondContact O-CA 3.13Å; H744-G767 PolarHBondContact O-N 3.09Å; H744-T832 VanDerWaalsContact CE1-CB 3.43Å; H744-T832 WeakPolarHBondContact CE1-CB 3.12Å; H744-T832 PolarHBondContact CE1-O 2.98Å; H744-T832 PolarHBondContact ND1-O 2.88Å; H744-T832 WeakPolarHBondContact NE2-CB 3.48Å; H744-T832 PolarHBondContact NE2-O 3.41Å; H744-T832 PolarHBondContact NE2-OG1 2.85Å
745	A	92.8	Very high	96.1	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.008	15%	0.153	C	C	.	.			trans	-61.1	147	179.1	0	0	0	0	0	110.8	A722 G723 L748 A768 E771	A722-A745 CarbonylContact C-O 3.59Å; A722-A745 WeakPolarHBondContact CA-O 3.45Å; A722-A745 HydrophobicContact CB-CB 4.47Å; A722-A745 VanDerWaalsContact CB-O 3.27Å; A722-A745 WeakPolarHBondContact CB-O 3.29Å; G723-A745 PolarHBondContact N-O 3.23Å; A745-L748 HydrophobicContact CB-CB 4.29Å; A745-A768 CarbonylContact C-O 3.51Å; A745-A768 WeakPolarHBondContact CA-O 3.34Å; A745-E771 HydrophobicContact CB-CB 4.08Å
746	G	95.9	Very high	96.1	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.01	16%	0.162	C	C	.	.	S	Bend	trans	-60.3	-55	167.6	0	0	0	0	0	110.2	G723 V724 I739 A768 G769	G723-G746 CarbonylContact C-O 3.46Å; G723-G746 VanDerWaalsContact CA-O 3.22Å; G723-G746 WeakPolarHBondContact CA-O 3.12Å; G723-G746 PolarHBondContact N-O 3.17Å; G723-G746 VanDerWaalsContact N-O 3.12Å; V724-G746 PolarHBondContact N-O 3.05Å; I739-G746 WeakPolarHBondContact CG2-O 3.03Å; G746-A768 PolarHBondContact N-O 3.5Å; G746-G769 CarbonylContact C-O 3.54Å; G746-G769 WeakPolarHBondContact CA-O 3.34Å; G746-G769 PolarHBondContact N-O 2.81Å
747	V	97.7	Very high	96.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	124.6	172.9	-174.8	0	0	0	0	110	V724 I726 L734 I739 I749 L757 I762 G769 V770 E771	V724-V747 HydrophobicContact CB-CG1 4.32Å; V724-V747 HydrophobicContact CB-CG2 4.32Å; V724-V747 CarbonylContact O-C 3.55Å; V724-V747 WeakPolarHBondContact O-CA 3.24Å; I726-V747 HydrophobicContact CD1-CG1 4.21Å; L734-V747 HydrophobicContact CD2-CG1 4.44Å; L734-V747 HydrophobicContact CD2-CG2 4.36Å; I739-V747 HydrophobicContact CD1-CG2 3.53Å; V747-I749 HydrophobicContact CG1-CD1 4.19Å; V747-I749 HydrophobicContact CG1-CG1 3.82Å; V747-L757 HydrophobicContact CB-CD2 4.28Å; V747-L757 HydrophobicContact CG1-CD2 4.17Å; V747-L757 HydrophobicContact CG2-CD2 4.17Å; V747-I762 HydrophobicContact CG2-CD1 3.88Å; V747-G769 PolarHBondContact N-O 3.01Å; V747-V770 HydrophobicContact CB-CG2 4.42Å; V747-V770 CarbonylContact O-C 3.59Å; V747-V770 WeakPolarHBondContact O-CA 3.4Å; V747-E771 PolarHBondContact O-N 3.27Å
748	L	96	Very high	96.1	Very high	11 Å²	11	34.1 Å²	34.1	6%	0.058	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122.3	174.2	177	59.6	0	0	0	109.9	A722 V724 I726 F727 A745 E771 T773	A722-L748 HydrophobicContact CB-CB 4.1Å; V724-L748 PolarHBondContact O-N 3.03Å; I726-L748 PolarHBondContact N-O 3.49Å; F727-L748 HydrophobicContact CE2-CD2 4.41Å; F727-L748 HydrophobicContact CZ-CD2 3.67Å; F727-L748 HydrophobicContact CZ-CG 4.04Å; A745-L748 HydrophobicContact CB-CB 4.29Å; L748-E771 HydrophobicContact CD1-CB 3.97Å; L748-E771 HydrophobicContact CD1-CG 3.98Å; L748-T773 HydrophobicContact CD1-CG2 4.24Å
749	I	97	Very high	96.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.8	-176.8	-45.3	178.4	0	0	0	108.6	I726 V747 P755 L757 V770 E771 I772 T773 A776 A778	I726-I749 HydrophobicContact CB-CG2 4.4Å; I726-I749 HydrophobicContact CD1-CG1 4.48Å; V747-I749 HydrophobicContact CG1-CD1 4.19Å; V747-I749 HydrophobicContact CG1-CG1 3.82Å; I749-P755 HydrophobicContact CD1-CG 3.67Å; I749-P755 HydrophobicContact CG1-CG 4.26Å; I749-P755 HydrophobicContact CG2-CG 3.94Å; I749-L757 HydrophobicContact CD1-CD1 4.22Å; I749-V770 HydrophobicContact CD1-CG1 4.27Å; I749-E771 PolarHBondContact N-O 2.95Å; I749-I772 HydrophobicContact CB-CG1 4.32Å; I749-I772 HydrophobicContact CB-CG2 4.26Å; I749-I772 HydrophobicContact CD1-CD1 4.28Å; I749-I772 HydrophobicContact CD1-CG1 4.1Å; I749-I772 HydrophobicContact CG1-CG1 4.46Å; I749-I772 WeakPolarHBondContact O-CA 3.16Å; I749-T773 PolarHBondContact O-N 3.35Å; I749-A776 HydrophobicContact CG2-CB 3.82Å; I749-A778 HydrophobicContact CD1-CB 3.72Å
750	S	94.9	Very high	96.1	Very high	7 Å²	7	34.5 Å²	34.5	5%	0.049	17%	0.165	C	C	.	.			trans	-152.3	169.4	-174	173.9	0	0	0	0	112.3	I726 F727 S753 T773 S774	I726-S750 PolarHBondContact O-N 3.19Å; F727-S750 VanDerWaalsContact CD1-CB 3.45Å; S750-S753 WeakPolarHBondContact O-CB 3.32Å; S750-S753 PolarHBondContact O-N 3.16Å; S750-S753 PolarHBondContact O-OG 3.27Å; S750-T773 WeakPolarHBondContact CA-O 3.4Å; S750-S774 VanDerWaalsContact OG-CB 3.31Å; S750-S774 WeakPolarHBondContact OG-CB 3.27Å; S750-S774 PolarHBondContact OG-OG 3.28Å
751	S	93.8	Very high	96.1	Very high	44 Å²	44	36.8 Å²	36.8	31%	0.308	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	60.7	167.5	-53.8	0	0	0	0	112.8	S728 N729 S753 S774	S728-S751 WeakPolarHBondContact CA-O 3.45Å; S728-S751 VanDerWaalsContact N-CB 3.34Å; S728-S751 PolarHBondContact N-O 3.39Å; N729-S751 PolarHBondContact N-O 3.15Å; S751-S753 PolarHBondContact O-N 3.05Å; S751-S774 WeakPolarHBondContact CA-O 3.09Å; S751-S774 PolarHBondContact N-O 2.83Å; S751-S774 VanDerWaalsContact N-O 3.08Å
752	E	95.3	Very high	96.2	Very high	118 Å²	118	29.4 Å²	29.4	55%	0.551	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	18.3	178.7	-51.5	-56.3	144.6	0	0	114.3	N729 S774 G775	N729-E752 WeakPolarHBondContact OD1-CB 3.39Å; E752-S774 PolarHBondContact N-O 3.12Å; E752-G775 WeakPolarHBondContact OE1-CA 3.48Å
753	S	97.6	Very high	96.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.			trans	-71.3	147.7	176.5	-63.1	0	0	0	0	111.1	I726 F727 G730 S750 S751 A776 N777	I726-S753 PolarHBondContact O-OG 3.45Å; F727-S753 VanDerWaalsContact CA-OG 3.31Å; F727-S753 WeakPolarHBondContact CA-OG 3.33Å; F727-S753 PolarHBondContact N-OG 3.02Å; F727-S753 PolarHBondContact O-OG 2.99Å; G730-S753 PolarHBondContact N-OG 3.35Å; G730-S753 VanDerWaalsContact N-OG 3.16Å; G730-S753 CarbonylContact O-C 3.58Å; G730-S753 VanDerWaalsContact O-CA 3.22Å; G730-S753 WeakPolarHBondContact O-CA 3.36Å; G730-S753 WeakPolarHBondContact O-CB 3.24Å; S750-S753 WeakPolarHBondContact O-CB 3.32Å; S750-S753 PolarHBondContact O-N 3.16Å; S750-S753 PolarHBondContact O-OG 3.27Å; S751-S753 PolarHBondContact O-N 3.05Å; S753-A776 WeakPolarHBondContact O-CA 3.06Å; S753-A776 WeakPolarHBondContact O-CB 3.38Å; S753-N777 PolarHBondContact O-N 2.96Å
754	N	97.4	Very high	96.6	Very high	97 Å²	97	32.4 Å²	32.4	52%	0.519	16%	0.159	S	C	.	.			trans	-144.3	71.8	-178.6	-171.8	20.2	0	0	0	112.7	G730 N777	G730-N754 PolarHBondContact O-N 2.94Å; N754-N777 WeakPolarHBondContact CA-O 3.3Å
755	P	98.3	Very high	96.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.159	C	C	.	.			trans	-83.8	165.1	177.6	36.6	-37.8	0	0	0	112.7	I726 I749 L757 N777 A778 T779	I726-P755 HydrophobicContact CD1-CB 3.78Å; I726-P755 HydrophobicContact CD1-CG 3.67Å; I726-P755 HydrophobicContact CG2-CG 4.41Å; I749-P755 HydrophobicContact CD1-CG 3.67Å; I749-P755 HydrophobicContact CG1-CG 4.26Å; I749-P755 HydrophobicContact CG2-CG 3.94Å; P755-L757 HydrophobicContact CB-CD1 3.99Å; P755-L757 HydrophobicContact CG-CD1 3.83Å; P755-N777 WeakPolarHBondContact CD-O 3.24Å; P755-A778 HydrophobicContact CG-CB 4.31Å; P755-A778 WeakPolarHBondContact O-CA 3.48Å; P755-T779 PolarHBondContact O-N 3.04Å; P755-T779 VanDerWaalsContact O-N 3.07Å
756	T	98.7	Very high	96.7	Very high	50 Å²	50	37.7 Å²	37.7	31%	0.307	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.3	166.5	-62	0	0	0	0	110.1	G732 V733 L734 T779	G732-T756 PolarHBondContact O-N 2.86Å; V733-T756 WeakPolarHBondContact CA-O 3.41Å; L734-T756 PolarHBondContact N-O 2.98Å; T756-T779 CarbonylContact C-O 3.59Å; T756-T779 WeakPolarHBondContact CA-O 3.24Å; T756-T779 HydrophobicContact CG2-CG2 4.37Å
757	L	98.5	Very high	96.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	115.8	174.9	-81	63	0	0	0	108.3	L734 V747 I749 P755 I762 V770 T779 L780 V781 N783	L734-L757 HydrophobicContact CB-CD1 4.42Å; L734-L757 HydrophobicContact CB-CG 4.14Å; L734-L757 HydrophobicContact CD2-CD1 4.22Å; L734-L757 HydrophobicContact CD2-CG 4.16Å; L734-L757 CarbonylContact O-C 3.55Å; L734-L757 WeakPolarHBondContact O-CA 3.42Å; V747-L757 HydrophobicContact CB-CD2 4.28Å; V747-L757 HydrophobicContact CG1-CD2 4.17Å; V747-L757 HydrophobicContact CG2-CD2 4.17Å; I749-L757 HydrophobicContact CD1-CD1 4.22Å; P755-L757 HydrophobicContact CB-CD1 3.99Å; P755-L757 HydrophobicContact CG-CD1 3.83Å; L757-I762 HydrophobicContact CD2-CD1 4.47Å; L757-V770 HydrophobicContact CD2-CG1 4.42Å; L757-V770 HydrophobicContact CD2-CG2 4.12Å; L757-T779 PolarHBondContact N-O 3.26Å; L757-L780 HydrophobicContact CB-CG 4.23Å; L757-L780 HydrophobicContact CD2-CG 4.4Å; L757-L780 CarbonylContact O-C 3.6Å; L757-L780 WeakPolarHBondContact O-CA 3.17Å; L757-V781 PolarHBondContact O-N 3.02Å; L757-N783 PolarHBondContact O-ND2 3.37Å
758	R	98.5	Very high	96.2	Very high	102 Å²	102	37.8 Å²	37.8	39%	0.385	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.1	-177.7	-171.7	170	-172.5	-150.2	-2.8	112.5	L734 E735 D736 N760 V781	L734-R758 PolarHBondContact O-N 2.95Å; E735-R758 WeakPolarHBondContact CA-O 3.22Å; E735-R758 HydrophobicContact CB-CB 4.25Å; D736-R758 PolarHBondContact N-O 2.87Å; R758-N760 PolarHBondContact N-ND2 3.5Å; R758-N760 VanDerWaalsContact N-ND2 3.15Å; R758-N760 PolarHBondContact O-N 2.67Å; R758-N760 VanDerWaalsContact O-N 3.08Å; R758-N760 PolarHBondContact O-ND2 3.28Å; R758-V781 CarbonylContact C-O 3.53Å; R758-V781 WeakPolarHBondContact CA-O 3.08Å; R758-V781 HydrophobicContact CG-CB 4.3Å
759	R	98.7	Very high	96.2	Very high	72 Å²	72	37.3 Å²	37.3	27%	0.272	18%	0.183	S	C	.	.	S	Bend	trans	54	27.8	174.8	-60.3	-178.8	-51.8	-87.3	-10.6	115.3	E735 D736 V781 E782 N783	E735-R759 IonicContact OE2-CZ 3.71Å; E735-R759 IonicContact OE2-NH2 2.79Å; E735-R759 PolarHBondContact OE2-NH2 3.18Å; D736-R759 WeakPolarHBondContact CA-O 3.22Å; D736-R759 WeakPolarHBondContact OD1-CB 3.42Å; D736-R759 IonicContact OD1-CZ 3.15Å; D736-R759 IonicContact OD1-NE 2.72Å; D736-R759 PolarHBondContact OD1-NE 2.86Å; D736-R759 IonicContact OD1-NH2 3.54Å; D736-R759 IonicContact OD2-CZ 3.78Å; D736-R759 IonicContact OD2-NE 2.78Å; D736-R759 IonicContact OD2-NH2 2.71Å; D736-R759 PolarHBondContact OD2-NH2 3.23Å; R759-V781 PolarHBondContact N-O 3.36Å; R759-E782 WeakPolarHBondContact CA-O 3.42Å; R759-E782 HydrophobicContact CG-CB 3.77Å; R759-E782 WeakPolarHBondContact CG-OE2 3.39Å; R759-N783 PolarHBondContact N-OD1 3.42Å
760	N	98.8	Very high	96.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.183	C	C	.	.			trans	-81.5	147.8	175.7	-55.9	-81.6	0	0	0	110.9	L734 N737 R758 I762 N783 V784	L734-N760 PolarHBondContact O-ND2 3.1Å; L734-N760 PolarHBondContact O-OD1 3.15Å; N737-N760 VanDerWaalsContact CB-OD1 3.3Å; N737-N760 WeakPolarHBondContact CB-OD1 3.22Å; N737-N760 PolarHBondContact N-OD1 3.49Å; N737-N760 PolarHBondContact ND2-OD1 3.29Å; N737-N760 CarbonylContact O-C 3.55Å; N737-N760 WeakPolarHBondContact O-CA 3.35Å; R758-N760 PolarHBondContact N-ND2 3.5Å; R758-N760 VanDerWaalsContact N-ND2 3.15Å; R758-N760 PolarHBondContact O-N 2.67Å; R758-N760 VanDerWaalsContact O-N 3.08Å; R758-N760 PolarHBondContact O-ND2 3.28Å; N760-I762 HydrophobicContact CB-CD1 4.41Å; N760-I762 HydrophobicContact CB-CG1 4.19Å; N760-N783 WeakPolarHBondContact CB-OD1 3.22Å; N760-N783 PolarHBondContact N-OD1 2.93Å; N760-N783 PolarHBondContact ND2-OD1 2.98Å; N760-N783 CarbonylContact O-C 3.53Å; N760-N783 WeakPolarHBondContact O-CA 3.43Å; N760-V784 PolarHBondContact O-N 3.47Å
761	M	98.6	Very high	96.3	Very high	73 Å²	73	37.1 Å²	37.1	36%	0.36	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	111.7	169.6	-67.6	-179.5	61.4	0	0	109.2	N737 E738 I739 Y763 V784 Y786	N737-M761 PolarHBondContact O-N 2.78Å; E738-M761 CarbonylContact C-O 3.59Å; E738-M761 WeakPolarHBondContact CA-O 3.38Å; E738-M761 HydrophobicContact CG-CB 4.41Å; I739-M761 PolarHBondContact N-O 2.8Å; M761-Y763 HydrophobicContact CB-CD1 4.21Å; M761-Y763 HydrophobicContact CB-CE1 4.32Å; M761-V784 CarbonylContact C-O 3.55Å; M761-V784 WeakPolarHBondContact CA-O 3.34Å; M761-V784 HydrophobicContact CG-CB 4.38Å; M761-Y786 HydrophobicContact CE-CE1 4.43Å
762	I	98.4	Very high	96.4	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	107.7	-175.5	-52.8	171.8	0	0	0	110	I739 V747 L757 N760 G769 V770 V784 I785 Y786 N788	I739-I762 HydrophobicContact CB-CG1 4.32Å; I739-I762 HydrophobicContact CB-CG2 4.45Å; I739-I762 HydrophobicContact CD1-CG1 4.41Å; I739-I762 CarbonylContact O-C 3.5Å; I739-I762 VanDerWaalsContact O-CA 3.28Å; I739-I762 WeakPolarHBondContact O-CA 3.44Å; V747-I762 HydrophobicContact CG2-CD1 3.88Å; L757-I762 HydrophobicContact CD2-CD1 4.47Å; N760-I762 HydrophobicContact CB-CD1 4.41Å; N760-I762 HydrophobicContact CB-CG1 4.19Å; I762-G769 WeakPolarHBondContact CG2-O 3.42Å; I762-V770 HydrophobicContact CD1-CG2 3.44Å; I762-V770 VanDerWaalsContact CD1-CG2 3.44Å; I762-V784 PolarHBondContact N-O 2.81Å; I762-I785 HydrophobicContact CB-CG1 4.29Å; I762-I785 HydrophobicContact CB-CG2 4.42Å; I762-I785 HydrophobicContact CD1-CG1 4.46Å; I762-I785 VanDerWaalsContact O-CA 3.28Å; I762-I785 WeakPolarHBondContact O-CA 3.24Å; I762-Y786 PolarHBondContact O-N 2.92Å; I762-Y786 VanDerWaalsContact O-N 3.09Å; I762-N788 PolarHBondContact O-ND2 3.07Å
763	Y	98.1	Very high	96.3	Very high	31 Å²	31	29.5 Å²	29.5	12%	0.122	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	158.1	-165.7	67.2	-83	0	0	0	116.9	I739 F740 R741 M761 G765 Y786	I739-Y763 PolarHBondContact O-N 2.98Å; F740-Y763 WeakPolarHBondContact CA-O 3.28Å; F740-Y763 HydrophobicContact CB-CD1 3.92Å; F740-Y763 HydrophobicContact CB-CD2 3.92Å; F740-Y763 HydrophobicContact CB-CE1 3.67Å; F740-Y763 HydrophobicContact CB-CE2 3.67Å; F740-Y763 HydrophobicContact CB-CG 4.03Å; F740-Y763 WeakPolarHBondContact CB-O 3.35Å; F740-Y763 AromaticContact CD1-CE1 3.99Å; F740-Y763 HydrophobicContact CD1-CE1 3.99Å; F740-Y763 AromaticContact CD1-CZ 3.8Å; F740-Y763 WeakPolarHBondContact CD1-OH 3.05Å; F740-Y763 HydrophobicContact CD2-CE2 4.38Å; F740-Y763 HydrophobicContact CG-CE1 4.03Å; F740-Y763 HydrophobicContact CG-CE2 4.01Å; F740-Y763 AromaticContact CG-CZ 3.6Å; R741-Y763 PolarHBondContact N-O 3.07Å; M761-Y763 HydrophobicContact CB-CD1 4.21Å; M761-Y763 HydrophobicContact CB-CE1 4.32Å; Y763-G765 PolarHBondContact O-N 2.75Å; Y763-Y786 WeakPolarHBondContact CA-O 3.18Å; Y763-Y786 VanDerWaalsContact CB-CE1 3.5Å; Y763-Y786 WeakPolarHBondContact CB-O 3.41Å; Y763-Y786 HydrophobicContact CD1-CE1 4.09Å; Y763-Y786 HydrophobicContact CD2-CE2 4.2Å; Y763-Y786 AromaticContact CD2-CZ 3.88Å; Y763-Y786 AromaticContact CG-CE1 3.81Å; Y763-Y786 HydrophobicContact CG-CE1 3.81Å; Y763-Y786 HydrophobicContact CG-CE2 4.17Å; Y763-Y786 AromaticContact CG-CZ 3.61Å
764	N	95.6	Very high	95.8	Very high	65 Å²	65	32.2 Å²	32.2	35%	0.348	16%	0.16	S	C	.	.	S	Bend	trans	52.6	28.2	175.1	-63.7	-18.6	0	0	0	114.1	R741 Y786 G787 N788	R741-N764 VanDerWaalsContact CA-O 3.24Å; R741-N764 WeakPolarHBondContact CA-O 3.22Å; R741-N764 HydrophobicContact CG-CB 4.15Å; R741-N764 PolarHBondContact N-O 2.8Å; N764-Y786 PolarHBondContact N-O 3.34Å; N764-Y786 VanDerWaalsContact N-O 3.16Å; N764-G787 WeakPolarHBondContact CA-O 3.35Å; N764-N788 PolarHBondContact N-OD1 2.88Å
765	G	92.1	Very high	95.4	Very high	5 Å²	5	29.7 Å²	29.7	5%	0.052	16%	0.156	C	C	.	.			trans	-78.6	156.4	171.4	0	0	0	0	0	112.2	Y763 G767 N788 R789	Y763-G765 PolarHBondContact O-N 2.75Å; G765-G767 VanDerWaalsContact C-N 3.34Å; G765-N788 PolarHBondContact N-OD1 3.36Å; G765-N788 WeakPolarHBondContact O-CA 3.16Å; G765-R789 PolarHBondContact O-N 3.16Å
766	H	90.9	Very high	95.3	Very high	116 Å²	116	29.8 Å²	29.8	54%	0.537	16%	0.157	S	C	.	.	S	Bend	trans	-84.2	-7.8	179.5	-73.7	-78.2	0	0	0	113.8	N742 A743 R789	N742-H766 PolarHBondContact O-N 2.91Å; A743-H766 WeakPolarHBondContact O-CB 3.35Å; H766-R789 WeakPolarHBondContact O-CB 3.29Å; H766-R789 WeakPolarHBondContact O-CD 3.14Å
767	G	90.4	Very high	95.1	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.01	16%	0.159	C	C	.	.	S	Bend	trans	-109.8	-145.5	168.8	0	0	0	0	0	113.1	H744 G765 R789 H790	H744-G767 WeakPolarHBondContact O-CA 3.13Å; H744-G767 PolarHBondContact O-N 3.09Å; G765-G767 VanDerWaalsContact C-N 3.34Å; G767-R789 PolarHBondContact O-N 3.36Å; G767-H790 PolarHBondContact O-N 3.36Å
768	A	93.5	Very high	95.1	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.017	16%	0.159	C	C	.	.			trans	-76.7	160.3	171.7	0	0	0	0	0	111.7	A745 G746 E771 H790 A791 A794	A745-A768 CarbonylContact C-O 3.51Å; A745-A768 WeakPolarHBondContact CA-O 3.34Å; G746-A768 PolarHBondContact N-O 3.5Å; A768-E771 HydrophobicContact CB-CB 4.42Å; A768-H790 HydrophobicContact CB-CB 4.34Å; A768-A791 CarbonylContact C-O 3.58Å; A768-A791 WeakPolarHBondContact CA-O 3.35Å; A768-A791 WeakPolarHBondContact CB-O 3.38Å; A768-A794 HydrophobicContact CB-CB 3.94Å
769	G	95.9	Very high	95.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-66.2	-63.7	171.8	0	0	0	0	0	111.1	G746 V747 I762 N788 A791 G792	G746-G769 CarbonylContact C-O 3.54Å; G746-G769 WeakPolarHBondContact CA-O 3.34Å; G746-G769 PolarHBondContact N-O 2.81Å; V747-G769 PolarHBondContact N-O 3.01Å; I762-G769 WeakPolarHBondContact CG2-O 3.42Å; G769-N788 WeakPolarHBondContact CA-ND2 3.48Å; G769-A791 PolarHBondContact N-O 2.81Å; G769-G792 CarbonylContact C-O 3.53Å; G769-G792 WeakPolarHBondContact CA-O 3.49Å; G769-G792 PolarHBondContact N-O 3.43Å; G769-G792 VanDerWaalsContact N-O 3.11Å
770	V	97.3	Very high	95.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	136.9	171.5	-179.5	0	0	0	0	109.1	V747 I749 L757 I762 I772 L780 I785 G792 I793 A794	V747-V770 HydrophobicContact CB-CG2 4.42Å; V747-V770 CarbonylContact O-C 3.59Å; V747-V770 WeakPolarHBondContact O-CA 3.4Å; I749-V770 HydrophobicContact CD1-CG1 4.27Å; L757-V770 HydrophobicContact CD2-CG1 4.42Å; L757-V770 HydrophobicContact CD2-CG2 4.12Å; I762-V770 HydrophobicContact CD1-CG2 3.44Å; I762-V770 VanDerWaalsContact CD1-CG2 3.44Å; V770-I772 HydrophobicContact CG1-CD1 4.34Å; V770-I772 HydrophobicContact CG1-CG1 4.02Å; V770-L780 HydrophobicContact CB-CD2 4.39Å; V770-L780 HydrophobicContact CG1-CD2 4.18Å; V770-L780 HydrophobicContact CG2-CD2 4.31Å; V770-I785 HydrophobicContact CG2-CD1 3.76Å; V770-G792 PolarHBondContact N-O 2.79Å; V770-I793 CarbonylContact O-C 3.52Å; V770-I793 WeakPolarHBondContact O-CA 3.38Å; V770-A794 PolarHBondContact O-N 3.33Å
771	E	95.6	Very high	95	Very high	3 Å²	3	24.8 Å²	24.8	1%	0.014	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	129.3	179	-169.3	168.4	158.4	0	0	110.8	A745 V747 L748 I749 A768 A794 M836 R874	A745-E771 HydrophobicContact CB-CB 4.08Å; V747-E771 PolarHBondContact O-N 3.27Å; L748-E771 HydrophobicContact CD1-CB 3.97Å; L748-E771 HydrophobicContact CD1-CG 3.98Å; I749-E771 PolarHBondContact N-O 2.95Å; A768-E771 HydrophobicContact CB-CB 4.42Å; E771-A794 WeakPolarHBondContact CA-O 3.14Å; E771-A794 HydrophobicContact CG-CB 4.17Å; E771-M836 HydrophobicContact CG-CE 3.51Å; E771-M836 WeakPolarHBondContact OE1-CE 3.37Å; E771-R874 WeakPolarHBondContact OE1-CD 3.4Å; E771-R874 WeakPolarHBondContact OE1-CG 3.47Å; E771-R874 IonicContact OE1-CZ 2.71Å; E771-R874 IonicContact OE1-NE 3.87Å; E771-R874 IonicContact OE1-NH1 2.96Å; E771-R874 PolarHBondContact OE1-NH1 3.18Å; E771-R874 IonicContact OE2-NH1 3.8Å; E771-R874 PolarHBondContact OE2-NH1 2.79Å
772	I	95.9	Very high	95	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	121.6	-176.1	-45.3	-177.9	0	0	0	109.4	I749 V770 A776 A778 L780 A794 L795 A796 V799 P801	I749-I772 HydrophobicContact CB-CG1 4.32Å; I749-I772 HydrophobicContact CB-CG2 4.26Å; I749-I772 HydrophobicContact CD1-CD1 4.28Å; I749-I772 HydrophobicContact CD1-CG1 4.1Å; I749-I772 HydrophobicContact CG1-CG1 4.46Å; I749-I772 WeakPolarHBondContact O-CA 3.16Å; V770-I772 HydrophobicContact CG1-CD1 4.34Å; V770-I772 HydrophobicContact CG1-CG1 4.02Å; I772-A776 HydrophobicContact CG2-CB 3.91Å; I772-A776 WeakPolarHBondContact CG2-O 3.46Å; I772-A778 HydrophobicContact CD1-CB 3.82Å; I772-L780 HydrophobicContact CD1-CD1 4.29Å; I772-A794 PolarHBondContact N-O 2.84Å; I772-L795 HydrophobicContact CB-CD2 4.03Å; I772-L795 HydrophobicContact CD1-CD2 3.9Å; I772-L795 HydrophobicContact CG1-CD2 4.04Å; I772-A796 PolarHBondContact O-N 2.92Å; I772-V799 HydrophobicContact CB-CG1 3.69Å; I772-V799 HydrophobicContact CG2-CG1 3.36Å; I772-V799 HydrophobicContact CG2-CG2 4.49Å; I772-P801 HydrophobicContact CD1-CB 3.86Å; I772-P801 HydrophobicContact CD1-CG 4.07Å
773	T	93.6	Very high	95.1	Very high	3 Å²	3	25 Å²	25	2%	0.018	14%	0.144	C	C	.	.			trans	-140.7	173.3	-173.4	173.2	0	0	0	0	112.6	L748 I749 S750 G775 A776 D873	L748-T773 HydrophobicContact CD1-CG2 4.24Å; I749-T773 PolarHBondContact O-N 3.35Å; S750-T773 WeakPolarHBondContact CA-O 3.4Å; T773-G775 PolarHBondContact O-N 3.18Å; T773-A776 WeakPolarHBondContact O-CB 3.46Å; T773-A776 PolarHBondContact O-N 3.12Å; T773-D873 WeakPolarHBondContact CB-OD1 3.14Å; T773-D873 PolarHBondContact OG1-OD1 2.83Å; T773-D873 PolarHBondContact OG1-OD2 2.97Å
774	S	88.1	Confident	95.1	Very high	56 Å²	56	25.4 Å²	25.4	39%	0.392	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	52.3	161.8	-50.6	0	0	0	0	113	S750 S751 E752 A776	S750-S774 VanDerWaalsContact OG-CB 3.31Å; S750-S774 WeakPolarHBondContact OG-CB 3.27Å; S750-S774 PolarHBondContact OG-OG 3.28Å; S751-S774 WeakPolarHBondContact CA-O 3.09Å; S751-S774 PolarHBondContact N-O 2.83Å; S751-S774 VanDerWaalsContact N-O 3.08Å; E752-S774 PolarHBondContact N-O 3.12Å; S774-A776 PolarHBondContact O-N 3.11Å
775	G	88.5	Confident	95.2	Very high	44 Å²	44	22.3 Å²	22.3	45%	0.454	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	-3.3	179.1	0	0	0	0	0	115.4	E752 T773	E752-G775 WeakPolarHBondContact OE1-CA 3.48Å; T773-G775 PolarHBondContact O-N 3.18Å
776	A	95.3	Very high	95.5	Very high	2 Å²	2	24.7 Å²	24.7	2%	0.017	14%	0.141	C	C	.	.			trans	-64.7	154.8	176.9	0	0	0	0	0	112.5	I749 S753 I772 T773 S774	I749-A776 HydrophobicContact CG2-CB 3.82Å; S753-A776 WeakPolarHBondContact O-CA 3.06Å; S753-A776 WeakPolarHBondContact O-CB 3.38Å; I772-A776 HydrophobicContact CG2-CB 3.91Å; I772-A776 WeakPolarHBondContact CG2-O 3.46Å; T773-A776 WeakPolarHBondContact O-CB 3.46Å; T773-A776 PolarHBondContact O-N 3.12Å; S774-A776 PolarHBondContact O-N 3.11Å
777	N	95.4	Very high	95.7	Very high	63 Å²	63	19.7 Å²	19.7	34%	0.337	12%	0.12	S	C	.	.			trans	-129.4	171.3	173.4	-153.8	-18	0	0	0	109.3	S753 N754 P755 K800 P801	S753-N777 PolarHBondContact O-N 2.96Å; N754-N777 WeakPolarHBondContact CA-O 3.3Å; P755-N777 WeakPolarHBondContact CD-O 3.24Å; N777-K800 PolarHBondContact OD1-O 3.23Å; N777-P801 VanDerWaalsContact OD1-CA 3.24Å; N777-P801 WeakPolarHBondContact OD1-CA 3.15Å
778	A	97.4	Very high	96	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.12	C	C	.	.			trans	-162	158.2	171.9	0	0	0	0	0	111.3	I749 P755 I772 L780 P801 I802	I749-A778 HydrophobicContact CD1-CB 3.72Å; P755-A778 HydrophobicContact CG-CB 4.31Å; P755-A778 WeakPolarHBondContact O-CA 3.48Å; I772-A778 HydrophobicContact CD1-CB 3.82Å; A778-L780 HydrophobicContact CB-CD1 3.44Å; A778-L780 VanDerWaalsContact CB-CD1 3.44Å; A778-P801 CarbonylContact O-C 3.54Å; A778-P801 VanDerWaalsContact O-CA 3.29Å; A778-P801 WeakPolarHBondContact O-CA 3.43Å; A778-P801 VanDerWaalsContact O-CB 3.26Å; A778-P801 WeakPolarHBondContact O-CB 3.46Å; A778-I802 PolarHBondContact O-N 2.84Å
779	T	98.5	Very high	96	Very high	33 Å²	33	23.8 Å²	23.8	20%	0.202	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	112.5	166.7	-64	0	0	0	0	109.5	P755 T756 L757 V781 I802	P755-T779 PolarHBondContact O-N 3.04Å; P755-T779 VanDerWaalsContact O-N 3.07Å; T756-T779 CarbonylContact C-O 3.59Å; T756-T779 WeakPolarHBondContact CA-O 3.24Å; T756-T779 HydrophobicContact CG2-CG2 4.37Å; L757-T779 PolarHBondContact N-O 3.26Å; T779-V781 HydrophobicContact CG2-CG2 3.72Å; T779-I802 HydrophobicContact CG2-CB 4.25Å; T779-I802 HydrophobicContact CG2-CG2 4.25Å
780	L	98.4	Very high	95.7	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	115.9	178.1	-77	64.3	0	0	0	108.9	L757 V770 I772 A778 I793 P801 I802 L803 K804 N806	L757-L780 HydrophobicContact CB-CG 4.23Å; L757-L780 HydrophobicContact CD2-CG 4.4Å; L757-L780 CarbonylContact O-C 3.6Å; L757-L780 WeakPolarHBondContact O-CA 3.17Å; V770-L780 HydrophobicContact CB-CD2 4.39Å; V770-L780 HydrophobicContact CG1-CD2 4.18Å; V770-L780 HydrophobicContact CG2-CD2 4.31Å; I772-L780 HydrophobicContact CD1-CD1 4.29Å; A778-L780 HydrophobicContact CB-CD1 3.44Å; A778-L780 VanDerWaalsContact CB-CD1 3.44Å; L780-I793 HydrophobicContact CD2-CD1 3.93Å; L780-I793 HydrophobicContact CD2-CG1 4.47Å; L780-P801 HydrophobicContact CD1-CB 4.49Å; L780-I802 PolarHBondContact N-O 2.84Å; L780-L803 HydrophobicContact CB-CD2 3.81Å; L780-L803 HydrophobicContact CD2-CD2 3.9Å; L780-L803 HydrophobicContact CG-CD2 4.29Å; L780-K804 PolarHBondContact O-N 2.97Å; L780-N806 PolarHBondContact O-ND2 2.7Å; L780-N806 PolarHBondContact O-OD1 3.33Å
781	V	98.6	Very high	95.5	Very high	24 Å²	24	25.4 Å²	25.4	15%	0.145	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	125.3	-178.4	-175.7	0	0	0	0	110.6	L757 R758 R759 T779 N783 K804	L757-V781 PolarHBondContact O-N 3.02Å; R758-V781 CarbonylContact C-O 3.53Å; R758-V781 WeakPolarHBondContact CA-O 3.08Å; R758-V781 HydrophobicContact CG-CB 4.3Å; R759-V781 PolarHBondContact N-O 3.36Å; T779-V781 HydrophobicContact CG2-CG2 3.72Å; V781-N783 PolarHBondContact N-ND2 2.95Å; V781-N783 VanDerWaalsContact N-ND2 3.15Å; V781-N783 PolarHBondContact O-N 3.14Å; V781-N783 PolarHBondContact O-ND2 3.01Å; V781-K804 CarbonylContact C-O 3.56Å; V781-K804 VanDerWaalsContact CA-O 3.26Å; V781-K804 WeakPolarHBondContact CA-O 3.47Å; V781-K804 HydrophobicContact CG1-CB 4.36Å; V781-K804 HydrophobicContact CG2-CB 4.25Å
782	E	98.6	Very high	95.5	Very high	76 Å²	76	25.5 Å²	25.5	36%	0.355	15%	0.15	S	C	.	.	S	Bend	trans	58.8	21.1	171.3	-63.6	162.8	-175.3	0	0	115	R759 K804 N805 N806	R759-E782 WeakPolarHBondContact CA-O 3.42Å; R759-E782 HydrophobicContact CG-CB 3.77Å; R759-E782 WeakPolarHBondContact CG-OE2 3.39Å; E782-K804 PolarHBondContact N-O 2.78Å; E782-N805 WeakPolarHBondContact CA-O 3.46Å; E782-N805 HydrophobicContact CG-CB 3.96Å; E782-N806 PolarHBondContact N-OD1 3.02Å
783	N	98.6	Very high	95.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.159	C	C	.	.			trans	-77.1	149.8	178.2	-56.1	-81.2	0	0	0	111.3	L757 R759 N760 V781 I785 N806 K807	L757-N783 PolarHBondContact O-ND2 3.37Å; R759-N783 PolarHBondContact N-OD1 3.42Å; N760-N783 WeakPolarHBondContact CB-OD1 3.22Å; N760-N783 PolarHBondContact N-OD1 2.93Å; N760-N783 PolarHBondContact ND2-OD1 2.98Å; N760-N783 CarbonylContact O-C 3.53Å; N760-N783 WeakPolarHBondContact O-CA 3.43Å; V781-N783 PolarHBondContact N-ND2 2.95Å; V781-N783 VanDerWaalsContact N-ND2 3.15Å; V781-N783 PolarHBondContact O-N 3.14Å; V781-N783 PolarHBondContact O-ND2 3.01Å; N783-I785 HydrophobicContact CB-CD1 4.43Å; N783-I785 HydrophobicContact CB-CG1 4.29Å; N783-N806 WeakPolarHBondContact CB-OD1 3.41Å; N783-N806 PolarHBondContact N-OD1 3.31Å; N783-N806 PolarHBondContact ND2-OD1 3.29Å; N783-N806 CarbonylContact O-C 3.56Å; N783-N806 WeakPolarHBondContact O-CA 3.35Å; N783-K807 PolarHBondContact O-N 2.97Å
784	V	98.6	Very high	95.5	Very high	40 Å²	40	27.7 Å²	27.7	24%	0.242	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	109.7	177.8	-172.2	0	0	0	0	108.7	N760 M761 I762 Y786 K807 F809	N760-V784 PolarHBondContact O-N 3.47Å; M761-V784 CarbonylContact C-O 3.55Å; M761-V784 WeakPolarHBondContact CA-O 3.34Å; M761-V784 HydrophobicContact CG-CB 4.38Å; I762-V784 PolarHBondContact N-O 2.81Å; V784-Y786 HydrophobicContact CG1-CD1 4Å; V784-Y786 HydrophobicContact CG1-CE1 4.28Å; V784-K807 WeakPolarHBondContact CA-O 3.29Å; V784-F809 HydrophobicContact CG1-CE1 3.81Å; V784-F809 HydrophobicContact CG1-CZ 4.31Å
785	I	98.4	Very high	95.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	111.5	-170.4	-52.1	172.2	0	0	0	110.7	I762 V770 N783 G792 I793 K807 V808 F809 N811	I762-I785 HydrophobicContact CB-CG1 4.29Å; I762-I785 HydrophobicContact CB-CG2 4.42Å; I762-I785 HydrophobicContact CD1-CG1 4.46Å; I762-I785 VanDerWaalsContact O-CA 3.28Å; I762-I785 WeakPolarHBondContact O-CA 3.24Å; V770-I785 HydrophobicContact CG2-CD1 3.76Å; N783-I785 HydrophobicContact CB-CD1 4.43Å; N783-I785 HydrophobicContact CB-CG1 4.29Å; I785-G792 WeakPolarHBondContact CG2-O 3.33Å; I785-I793 HydrophobicContact CD1-CD1 4.01Å; I785-I793 HydrophobicContact CD1-CG1 3.71Å; I785-K807 PolarHBondContact N-O 3.37Å; I785-V808 HydrophobicContact CB-CG1 4.43Å; I785-V808 HydrophobicContact CB-CG2 4.27Å; I785-V808 HydrophobicContact CD1-CG2 4.3Å; I785-V808 WeakPolarHBondContact O-CA 3.03Å; I785-F809 PolarHBondContact O-N 3.22Å; I785-F809 VanDerWaalsContact O-N 3.12Å; I785-N811 PolarHBondContact O-ND2 3.44Å
786	Y	98.1	Very high	96	Very high	56 Å²	56	25.9 Å²	25.9	22%	0.22	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	160.1	-172.1	69.7	-81.6	0	0	0	115.5	M761 I762 Y763 N764 V784 N788 F809 N811	M761-Y786 HydrophobicContact CE-CE1 4.43Å; I762-Y786 PolarHBondContact O-N 2.92Å; I762-Y786 VanDerWaalsContact O-N 3.09Å; Y763-Y786 WeakPolarHBondContact CA-O 3.18Å; Y763-Y786 VanDerWaalsContact CB-CE1 3.5Å; Y763-Y786 WeakPolarHBondContact CB-O 3.41Å; Y763-Y786 HydrophobicContact CD1-CE1 4.09Å; Y763-Y786 HydrophobicContact CD2-CE2 4.2Å; Y763-Y786 AromaticContact CD2-CZ 3.88Å; Y763-Y786 AromaticContact CG-CE1 3.81Å; Y763-Y786 HydrophobicContact CG-CE1 3.81Å; Y763-Y786 HydrophobicContact CG-CE2 4.17Å; Y763-Y786 AromaticContact CG-CZ 3.61Å; N764-Y786 PolarHBondContact N-O 3.34Å; N764-Y786 VanDerWaalsContact N-O 3.16Å; V784-Y786 HydrophobicContact CG1-CD1 4Å; V784-Y786 HydrophobicContact CG1-CE1 4.28Å; Y786-N788 PolarHBondContact O-N 2.99Å; Y786-N788 PolarHBondContact O-ND2 2.87Å; Y786-F809 WeakPolarHBondContact CA-O 3.26Å; Y786-F809 WeakPolarHBondContact CB-O 3.43Å; Y786-F809 HydrophobicContact CD1-CE1 4.36Å; Y786-F809 AromaticContact CD1-CZ 3.99Å; Y786-F809 HydrophobicContact CD1-CZ 3.99Å; Y786-F809 HydrophobicContact CD2-CE2 4.35Å; Y786-F809 HydrophobicContact CD2-CZ 4.41Å; Y786-F809 HydrophobicContact CG-CE1 4.34Å; Y786-F809 HydrophobicContact CG-CE2 4.02Å; Y786-F809 AromaticContact CG-CZ 3.78Å; Y786-F809 HydrophobicContact CG-CZ 3.78Å; Y786-N811 VanDerWaalsContact C-OD1 3.3Å; Y786-N811 WeakPolarHBondContact CA-OD1 3.41Å
787	G	96	Very high	95.8	Very high	10 Å²	10	28 Å²	28	10%	0.103	15%	0.151	C	C	.	.	S	Bend	trans	67.6	6.8	172.6	0	0	0	0	0	115.5	N764 S810 N811	N764-G787 WeakPolarHBondContact CA-O 3.35Å; G787-S810 VanDerWaalsContact CA-O 3.29Å; G787-S810 WeakPolarHBondContact CA-O 3.31Å; G787-S810 PolarHBondContact N-O 3.3Å; G787-N811 PolarHBondContact N-OD1 2.92Å
788	N	95.2	Very high	95.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.			trans	-74.3	149.5	177.8	-56.3	-72.5	0	0	0	110.4	I762 N764 G765 G769 Y786 H790 N811 M812	I762-N788 PolarHBondContact O-ND2 3.07Å; N764-N788 PolarHBondContact N-OD1 2.88Å; G765-N788 PolarHBondContact N-OD1 3.36Å; G765-N788 WeakPolarHBondContact O-CA 3.16Å; G769-N788 WeakPolarHBondContact CA-ND2 3.48Å; Y786-N788 PolarHBondContact O-N 2.99Å; Y786-N788 PolarHBondContact O-ND2 2.87Å; N788-H790 PolarHBondContact O-N 3.36Å; N788-N811 VanDerWaalsContact CB-OD1 3.3Å; N788-N811 WeakPolarHBondContact CB-OD1 3.32Å; N788-N811 PolarHBondContact N-OD1 2.91Å; N788-N811 PolarHBondContact ND2-OD1 2.65Å; N788-N811 CarbonylContact O-C 3.57Å; N788-N811 WeakPolarHBondContact O-CA 3.13Å; N788-M812 PolarHBondContact O-N 3.19Å
789	R	93	Very high	95.3	Very high	89 Å²	89	33.9 Å²	33.9	34%	0.336	18%	0.177	S	C	.	.	S	Bend	trans	-67.6	-34.8	-174.6	-173.7	175.6	179.9	-102.4	-0.2	112.8	G765 H766 G767 M812 A814	G765-R789 PolarHBondContact O-N 3.16Å; H766-R789 WeakPolarHBondContact O-CB 3.29Å; H766-R789 WeakPolarHBondContact O-CD 3.14Å; G767-R789 PolarHBondContact O-N 3.36Å; R789-M812 WeakPolarHBondContact O-CB 3.47Å; R789-A814 HydrophobicContact CG-CB 4.13Å; R789-A814 WeakPolarHBondContact O-CB 3.34Å; R789-A814 PolarHBondContact O-N 2.94Å
790	H	90.9	Very high	95.1	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.028	20%	0.203	C	C	.	.	S	Bend	trans	-97.4	-146.1	176.4	-59.1	168.9	0	0	0	110.6	G767 A768 N788 N813 V815	G767-H790 PolarHBondContact O-N 3.36Å; A768-H790 HydrophobicContact CB-CB 4.34Å; N788-H790 PolarHBondContact O-N 3.36Å; H790-N813 PolarHBondContact O-N 3.21Å; H790-V815 HydrophobicContact CB-CG2 4.37Å
791	A	92.5	Very high	95	Very high	29 Å²	29	41.5 Å²	41.5	24%	0.24	21%	0.209	C	C	.	.			trans	-70.1	155.9	174.3	0	0	0	0	0	111	A768 G769 A794	A768-A791 CarbonylContact C-O 3.58Å; A768-A791 WeakPolarHBondContact CA-O 3.35Å; A768-A791 WeakPolarHBondContact CB-O 3.38Å; G769-A791 PolarHBondContact N-O 2.81Å; A791-A794 HydrophobicContact CB-CB 4.44Å
792	G	94.9	Very high	95	Very high	5 Å²	5	44.3 Å²	44.3	5%	0.052	22%	0.223	C	C	.	.	S	Bend	trans	-66.1	-49.9	170.8	0	0	0	0	0	111.7	G769 V770 I785 N811	G769-G792 CarbonylContact C-O 3.53Å; G769-G792 WeakPolarHBondContact CA-O 3.49Å; G769-G792 PolarHBondContact N-O 3.43Å; G769-G792 VanDerWaalsContact N-O 3.11Å; V770-G792 PolarHBondContact N-O 2.79Å; I785-G792 WeakPolarHBondContact CG2-O 3.33Å; G792-N811 VanDerWaalsContact CA-ND2 3.34Å; G792-N811 WeakPolarHBondContact CA-ND2 3.18Å
793	I	95.9	Very high	94.9	Very high	37 Å²	37	44.9 Å²	44.9	19%	0.19	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.2	173.2	-57.6	175.3	0	0	0	107.5	V770 L780 I785 L795 L803 V808	V770-I793 CarbonylContact O-C 3.52Å; V770-I793 WeakPolarHBondContact O-CA 3.38Å; L780-I793 HydrophobicContact CD2-CD1 3.93Å; L780-I793 HydrophobicContact CD2-CG1 4.47Å; I785-I793 HydrophobicContact CD1-CD1 4.01Å; I785-I793 HydrophobicContact CD1-CG1 3.71Å; I793-L795 HydrophobicContact CG2-CD2 3.68Å; I793-L795 HydrophobicContact CG2-CG 4.04Å; I793-L803 HydrophobicContact CD1-CD2 4.27Å; I793-V808 HydrophobicContact CD1-CG2 3.79Å; I793-V808 HydrophobicContact CG1-CG2 4.13Å
794	A	93.9	Very high	94.9	Very high	11 Å²	11	50.6 Å²	50.6	9%	0.091	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.2	177	0	0	0	0	0	109.9	A768 V770 E771 I772 A791 M836	A768-A794 HydrophobicContact CB-CB 3.94Å; V770-A794 PolarHBondContact O-N 3.33Å; E771-A794 WeakPolarHBondContact CA-O 3.14Å; E771-A794 HydrophobicContact CG-CB 4.17Å; I772-A794 PolarHBondContact N-O 2.84Å; A791-A794 HydrophobicContact CB-CB 4.44Å; A794-M836 HydrophobicContact CB-CB 4.25Å; A794-M836 HydrophobicContact CB-SD 3.88Å
795	L	94.9	Very high	94.8	Very high	56 Å²	56	54.8 Å²	54.8	29%	0.293	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	125.3	-173	-55.8	179.2	0	0	0	110.4	I772 I793 V799 P801 M836 H872	I772-L795 HydrophobicContact CB-CD2 4.03Å; I772-L795 HydrophobicContact CD1-CD2 3.9Å; I772-L795 HydrophobicContact CG1-CD2 4.04Å; I793-L795 HydrophobicContact CG2-CD2 3.68Å; I793-L795 HydrophobicContact CG2-CG 4.04Å; L795-V799 HydrophobicContact CB-CG1 4.5Å; L795-V799 HydrophobicContact CD2-CG1 4.13Å; L795-P801 HydrophobicContact CD1-CG 4.02Å; L795-P801 HydrophobicContact CD2-CG 3.76Å; L795-M836 PolarHBondContact N-SD 3.03Å; L795-M836 VanDerWaalsContact N-SD 3.42Å; L795-H872 PolarHBondContact O-CD2 3.28Å; L795-H872 VanDerWaalsContact O-CD2 3.23Å
796	A	92.9	Very high	94.8	Very high	6 Å²	6	56.4 Å²	56.4	5%	0.05	28%	0.282	C	S	.	.			trans	-70.3	170.7	173.4	0	0	0	0	0	111.5	I772 H798 V799 M836 H872 D873	I772-A796 PolarHBondContact O-N 2.92Å; A796-H798 PolarHBondContact O-N 3.06Å; A796-V799 HydrophobicContact CB-CG2 4.04Å; A796-V799 WeakPolarHBondContact O-CB 3.37Å; A796-V799 PolarHBondContact O-N 2.87Å; A796-M836 HydrophobicContact CB-CE 4.04Å; A796-M836 HydrophobicContact CB-SD 4.4Å; A796-M836 PolarHBondContact N-SD 3.44Å; A796-M836 VanDerWaalsContact N-SD 3.38Å; A796-H872 CarbonylContact C-O 3.58Å; A796-H872 VanDerWaalsContact CA-O 3.27Å; A796-H872 WeakPolarHBondContact CA-O 3.44Å; A796-H872 WeakPolarHBondContact CB-O 3.33Å; A796-D873 HydrophobicContact CB-CB 4.48Å
797	T	90.5	Very high	94.8	Very high	46 Å²	46	60.6 Å²	60.6	28%	0.282	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	136.9	177.9	-48	0	0	0	0	110.4	V799 H872	T797-V799 PolarHBondContact O-N 2.91Å; T797-H872 PolarHBondContact N-O 2.93Å; T797-H872 WeakPolarHBondContact OG1-CA 3.19Å; T797-H872 WeakPolarHBondContact OG1-CB 3.48Å; T797-H872 PolarHBondContact OG1-N 3.4Å; T797-H872 PolarHBondContact OG1-O 2.95Å; T797-H872 VanDerWaalsContact OG1-O 3.06Å
798	H	89.2	Confident	94.9	Very high	174 Å²	174	63.1 Å²	63.1	81%	0.806	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	-1.2	-178.5	-49.5	-64.5	0	0	0	116.6	A796	A796-H798 PolarHBondContact O-N 3.06Å
799	V	94.2	Very high	95	Very high	14 Å²	14	67.7 Å²	67.7	9%	0.085	34%	0.335	C	S	.	.			trans	-79.5	123.3	176	173.9	0	0	0	0	110.4	I772 L795 A796 T797	I772-V799 HydrophobicContact CB-CG1 3.69Å; I772-V799 HydrophobicContact CG2-CG1 3.36Å; I772-V799 HydrophobicContact CG2-CG2 4.49Å; L795-V799 HydrophobicContact CB-CG1 4.5Å; L795-V799 HydrophobicContact CD2-CG1 4.13Å; A796-V799 HydrophobicContact CB-CG2 4.04Å; A796-V799 WeakPolarHBondContact O-CB 3.37Å; A796-V799 PolarHBondContact O-N 2.87Å; T797-V799 PolarHBondContact O-N 2.91Å
800	K	93.6	Very high	95.1	Very high	173 Å²	173	67.9 Å²	67.9	75%	0.752	35%	0.35	S	S	*	.			trans	-132.1	79.3	-177.4	-65.7	-177.4	-178.9	178.5	0	111.6	N777	N777-K800 PolarHBondContact OD1-O 3.23Å
801	P	96.3	Very high	95.3	Very high	19 Å²	19	68.7 Å²	68.7	12%	0.123	36%	0.355	C	S	.	.			trans	-69.6	155.1	178.9	32.3	-36.5	0	0	0	112.2	I772 N777 A778 L780 L795 L803	I772-P801 HydrophobicContact CD1-CB 3.86Å; I772-P801 HydrophobicContact CD1-CG 4.07Å; N777-P801 VanDerWaalsContact OD1-CA 3.24Å; N777-P801 WeakPolarHBondContact OD1-CA 3.15Å; A778-P801 CarbonylContact O-C 3.54Å; A778-P801 VanDerWaalsContact O-CA 3.29Å; A778-P801 WeakPolarHBondContact O-CA 3.43Å; A778-P801 VanDerWaalsContact O-CB 3.26Å; A778-P801 WeakPolarHBondContact O-CB 3.46Å; L780-P801 HydrophobicContact CD1-CB 4.49Å; L795-P801 HydrophobicContact CD1-CG 4.02Å; L795-P801 HydrophobicContact CD2-CG 3.76Å; P801-L803 HydrophobicContact CB-CD2 4.12Å; P801-L803 HydrophobicContact CG-CD2 3.86Å; P801-L803 HydrophobicContact CG-CG 4.16Å; P801-L803 PolarHBondContact O-N 2.8Å
802	I	97.7	Very high	95.3	Very high	84 Å²	84	72.2 Å²	72.2	43%	0.431	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	110.6	169.5	-61.4	173.7	0	0	0	107.7	A778 T779 L780 K804	A778-I802 PolarHBondContact O-N 2.84Å; T779-I802 HydrophobicContact CG2-CB 4.25Å; T779-I802 HydrophobicContact CG2-CG2 4.25Å; L780-I802 PolarHBondContact N-O 2.84Å; I802-K804 HydrophobicContact CG2-CD 4.28Å; I802-K804 HydrophobicContact CG2-CG 4.15Å
803	L	97.5	Very high	95.1	Very high	87 Å²	87	74.4 Å²	74.4	46%	0.455	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	120.6	177.9	-55.1	-178.5	0	0	0	109.8	L780 I793 P801	L780-L803 HydrophobicContact CB-CD2 3.81Å; L780-L803 HydrophobicContact CD2-CD2 3.9Å; L780-L803 HydrophobicContact CG-CD2 4.29Å; I793-L803 HydrophobicContact CD1-CD2 4.27Å; P801-L803 HydrophobicContact CB-CD2 4.12Å; P801-L803 HydrophobicContact CG-CD2 3.86Å; P801-L803 HydrophobicContact CG-CG 4.16Å; P801-L803 PolarHBondContact O-N 2.8Å
804	K	97.9	Very high	94.9	Very high	121 Å²	121	73.4 Å²	73.4	53%	0.526	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	121.6	175.5	-63.2	-178.6	178.2	-179.7	0	110.8	L780 V781 E782 I802 N806	L780-K804 PolarHBondContact O-N 2.97Å; V781-K804 CarbonylContact C-O 3.56Å; V781-K804 VanDerWaalsContact CA-O 3.26Å; V781-K804 WeakPolarHBondContact CA-O 3.47Å; V781-K804 HydrophobicContact CG1-CB 4.36Å; V781-K804 HydrophobicContact CG2-CB 4.25Å; E782-K804 PolarHBondContact N-O 2.78Å; I802-K804 HydrophobicContact CG2-CD 4.28Å; I802-K804 HydrophobicContact CG2-CG 4.15Å; K804-N806 PolarHBondContact N-ND2 2.77Å; K804-N806 PolarHBondContact O-N 2.72Å; K804-N806 VanDerWaalsContact O-N 3.07Å
805	N	97.8	Very high	94.6	Very high	128 Å²	128	73.6 Å²	73.6	68%	0.684	38%	0.375	S	S	*	.	S	Bend	trans	55.3	27	171.7	-55.8	-22.6	0	0	0	115.8	E782	E782-N805 WeakPolarHBondContact CA-O 3.46Å; E782-N805 HydrophobicContact CG-CB 3.96Å
806	N	98	Very high	94.4	Very high	33 Å²	33	75.5 Å²	75.5	18%	0.176	38%	0.382	C	S	.	.			trans	-78.3	140.9	176.4	-57.3	-74	0	0	0	110.9	L780 E782 N783 K804 V808	L780-N806 PolarHBondContact O-ND2 2.7Å; L780-N806 PolarHBondContact O-OD1 3.33Å; E782-N806 PolarHBondContact N-OD1 3.02Å; N783-N806 WeakPolarHBondContact CB-OD1 3.41Å; N783-N806 PolarHBondContact N-OD1 3.31Å; N783-N806 PolarHBondContact ND2-OD1 3.29Å; N783-N806 CarbonylContact O-C 3.56Å; N783-N806 WeakPolarHBondContact O-CA 3.35Å; K804-N806 PolarHBondContact N-ND2 2.77Å; K804-N806 PolarHBondContact O-N 2.72Å; K804-N806 VanDerWaalsContact O-N 3.07Å; N806-V808 HydrophobicContact CB-CG2 4.49Å
807	K	98.1	Very high	94.3	Very high	144 Å²	144	80.7 Å²	80.7	63%	0.626	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.7	106.6	174.6	-65.4	-178.4	-178.5	178	0	109.6	N783 V784 I785 F809	N783-K807 PolarHBondContact O-N 2.97Å; V784-K807 WeakPolarHBondContact CA-O 3.29Å; I785-K807 PolarHBondContact N-O 3.37Å; K807-F809 HydrophobicContact CB-CD1 4.39Å; K807-F809 HydrophobicContact CB-CE1 4.42Å
808	V	97.5	Very high	94.2	Very high	64 Å²	64	78.6 Å²	78.6	39%	0.388	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	113.6	-179.4	-171.9	0	0	0	0	109.6	I785 I793 N806	I785-V808 HydrophobicContact CB-CG1 4.43Å; I785-V808 HydrophobicContact CB-CG2 4.27Å; I785-V808 HydrophobicContact CD1-CG2 4.3Å; I785-V808 WeakPolarHBondContact O-CA 3.03Å; I793-V808 HydrophobicContact CD1-CG2 3.79Å; I793-V808 HydrophobicContact CG1-CG2 4.13Å; N806-V808 HydrophobicContact CB-CG2 4.49Å
809	F	97.4	Very high	94.2	Very high	95 Å²	95	72.8 Å²	72.8	42%	0.417	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	163.1	-172.6	63.5	-83.2	0	0	0	112.5	V784 I785 Y786 K807 N811	V784-F809 HydrophobicContact CG1-CE1 3.81Å; V784-F809 HydrophobicContact CG1-CZ 4.31Å; I785-F809 PolarHBondContact O-N 3.22Å; I785-F809 VanDerWaalsContact O-N 3.12Å; Y786-F809 WeakPolarHBondContact CA-O 3.26Å; Y786-F809 WeakPolarHBondContact CB-O 3.43Å; Y786-F809 HydrophobicContact CD1-CE1 4.36Å; Y786-F809 AromaticContact CD1-CZ 3.99Å; Y786-F809 HydrophobicContact CD1-CZ 3.99Å; Y786-F809 HydrophobicContact CD2-CE2 4.35Å; Y786-F809 HydrophobicContact CD2-CZ 4.41Å; Y786-F809 HydrophobicContact CG-CE1 4.34Å; Y786-F809 HydrophobicContact CG-CE2 4.02Å; Y786-F809 AromaticContact CG-CZ 3.78Å; Y786-F809 HydrophobicContact CG-CZ 3.78Å; K807-F809 HydrophobicContact CB-CD1 4.39Å; K807-F809 HydrophobicContact CB-CE1 4.42Å; F809-N811 PolarHBondContact O-N 3.01Å; F809-N811 PolarHBondContact O-ND2 3.41Å
810	S	95.5	Very high	94.1	Very high	94 Å²	94	80.5 Å²	80.5	66%	0.657	40%	0.398	S	S	*	.			trans	51.6	24.6	173.2	-58.4	0	0	0	0	116.3	G787	G787-S810 VanDerWaalsContact CA-O 3.29Å; G787-S810 WeakPolarHBondContact CA-O 3.31Å; G787-S810 PolarHBondContact N-O 3.3Å
811	N	95	Very high	93.9	Very high	23 Å²	23	79.5 Å²	79.5	12%	0.123	39%	0.394	C	S	.	.			trans	-77.4	146.7	169.9	-60.7	-74.8	0	0	0	109	I785 Y786 G787 N788 G792 F809 N813	I785-N811 PolarHBondContact O-ND2 3.44Å; Y786-N811 VanDerWaalsContact C-OD1 3.3Å; Y786-N811 WeakPolarHBondContact CA-OD1 3.41Å; G787-N811 PolarHBondContact N-OD1 2.92Å; N788-N811 VanDerWaalsContact CB-OD1 3.3Å; N788-N811 WeakPolarHBondContact CB-OD1 3.32Å; N788-N811 PolarHBondContact N-OD1 2.91Å; N788-N811 PolarHBondContact ND2-OD1 2.65Å; N788-N811 CarbonylContact O-C 3.57Å; N788-N811 WeakPolarHBondContact O-CA 3.13Å; G792-N811 VanDerWaalsContact CA-ND2 3.34Å; G792-N811 WeakPolarHBondContact CA-ND2 3.18Å; F809-N811 PolarHBondContact O-N 3.01Å; F809-N811 PolarHBondContact O-ND2 3.41Å; N811-N813 VanDerWaalsContact C-N 3.28Å; N811-N813 PolarHBondContact O-N 2.88Å
812	M	92.7	Very high	93.6	Very high	103 Å²	103	80 Å²	80	51%	0.507	40%	0.403	S	S	.	.			trans	-77.4	-15.6	-168.9	-57.3	-176.8	-173.7	0	0	113.2	N788 R789 A814 K817	N788-M812 PolarHBondContact O-N 3.19Å; R789-M812 WeakPolarHBondContact O-CB 3.47Å; M812-A814 PolarHBondContact O-N 2.82Å; M812-K817 VanDerWaalsContact O-CD 3.32Å; M812-K817 WeakPolarHBondContact O-CD 3.46Å; M812-K817 WeakPolarHBondContact O-CE 3.31Å; M812-K817 PolarHBondContact O-NZ 3.08Å
813	N	91.5	Very high	93.2	Very high	51 Å²	51	79.4 Å²	79.4	27%	0.273	40%	0.398	S	S	.	.			trans	46.5	46.4	-178.8	-64.9	-2.1	0	0	0	112.4	H790 N811 V815 E816 K817	H790-N813 PolarHBondContact O-N 3.21Å; N811-N813 VanDerWaalsContact C-N 3.28Å; N811-N813 PolarHBondContact O-N 2.88Å; N813-V815 PolarHBondContact O-N 3.23Å; N813-E816 HydrophobicContact CB-CB 4.23Å; N813-E816 HydrophobicContact CB-CG 4.37Å; N813-E816 WeakPolarHBondContact CB-OE2 3.41Å; N813-E816 PolarHBondContact ND2-OE2 3.31Å; N813-E816 PolarHBondContact O-N 2.99Å; N813-K817 PolarHBondContact O-N 3.05Å
814	A	89.9	Confident	92.8	Very high	16 Å²	16	75.3 Å²	75.3	13%	0.132	38%	0.376	C	S	.	.	H	α-helix	trans	-58.2	-34	-173.6	0	0	0	0	0	112.9	R789 M812 K817 A818	R789-A814 HydrophobicContact CG-CB 4.13Å; R789-A814 WeakPolarHBondContact O-CB 3.34Å; R789-A814 PolarHBondContact O-N 2.94Å; M812-A814 PolarHBondContact O-N 2.82Å; A814-K817 PolarHBondContact O-N 3.33Å; A814-A818 WeakPolarHBondContact O-CB 3.37Å; A814-A818 PolarHBondContact O-N 3.36Å
815	V	88.8	Confident	92.3	Very high	15 Å²	15	69.5 Å²	69.5	9%	0.091	35%	0.351	C	S	.	.	H	α-helix	trans	-62.3	-53.9	176.2	-175	0	0	0	0	110.9	H790 N813 K817 A818 I819 L825 L828 P835 H837	H790-V815 HydrophobicContact CB-CG2 4.37Å; N813-V815 PolarHBondContact O-N 3.23Å; V815-K817 VanDerWaalsContact C-N 3.27Å; V815-K817 PolarHBondContact O-N 3.28Å; V815-A818 PolarHBondContact O-N 3.38Å; V815-A818 VanDerWaalsContact O-N 3.14Å; V815-I819 HydrophobicContact CG1-CD1 4.1Å; V815-I819 WeakPolarHBondContact O-CG1 3.48Å; V815-I819 PolarHBondContact O-N 2.56Å; V815-L825 HydrophobicContact CG1-CD1 4.27Å; V815-L825 HydrophobicContact CG1-CD2 4.28Å; V815-L828 HydrophobicContact CG2-CD1 4.49Å; V815-P835 HydrophobicContact CG2-CB 3.46Å; V815-P835 VanDerWaalsContact CG2-CB 3.46Å; V815-P835 HydrophobicContact CG2-CG 4.5Å; V815-H837 HydrophobicContact CG1-CB 4.27Å
816	E	89.4	Confident	91.7	Very high	95 Å²	95	64.9 Å²	64.9	44%	0.444	33%	0.325	S	S	.	.	H	α-helix	trans	-59.2	-39	177	-64.6	175.6	179.2	0	0	112	N813 I819 K820	N813-E816 HydrophobicContact CB-CB 4.23Å; N813-E816 HydrophobicContact CB-CG 4.37Å; N813-E816 WeakPolarHBondContact CB-OE2 3.41Å; N813-E816 PolarHBondContact ND2-OE2 3.31Å; N813-E816 PolarHBondContact O-N 2.99Å; E816-I819 PolarHBondContact O-N 3.03Å; E816-K820 WeakPolarHBondContact O-CB 2.92Å; E816-K820 VanDerWaalsContact O-CG 3.32Å; E816-K820 WeakPolarHBondContact O-CG 2.84Å; E816-K820 PolarHBondContact O-N 3.2Å
817	K	91.4	Very high	91	Very high	115 Å²	115	66.4 Å²	66.4	50%	0.5	33%	0.331	S	S	.	.	H	α-helix	trans	-64.5	-41.9	176.2	-74.2	177.5	178.9	163.1	0	112	M812 N813 A814 V815 K820 K821	M812-K817 VanDerWaalsContact O-CD 3.32Å; M812-K817 WeakPolarHBondContact O-CD 3.46Å; M812-K817 WeakPolarHBondContact O-CE 3.31Å; M812-K817 PolarHBondContact O-NZ 3.08Å; N813-K817 PolarHBondContact O-N 3.05Å; A814-K817 PolarHBondContact O-N 3.33Å; V815-K817 VanDerWaalsContact C-N 3.27Å; V815-K817 PolarHBondContact O-N 3.28Å; K817-K820 PolarHBondContact O-N 2.96Å; K817-K821 WeakPolarHBondContact O-CB 3.14Å; K817-K821 VanDerWaalsContact O-CG 3.31Å; K817-K821 WeakPolarHBondContact O-CG 3.32Å; K817-K821 PolarHBondContact O-N 2.9Å
818	A	89.1	Confident	90.1	Very high	2 Å²	2	60.6 Å²	60.6	2%	0.017	31%	0.307	C	S	.	.	H	α-helix	trans	-68.1	-37.8	175.6	0	0	0	0	0	112.2	A814 V815 K821 G822 Q823 L825 L828 N856	A814-A818 WeakPolarHBondContact O-CB 3.37Å; A814-A818 PolarHBondContact O-N 3.36Å; V815-A818 PolarHBondContact O-N 3.38Å; V815-A818 VanDerWaalsContact O-N 3.14Å; A818-K821 PolarHBondContact O-N 2.92Å; A818-G822 PolarHBondContact O-N 3.23Å; A818-G822 VanDerWaalsContact O-N 3.15Å; A818-Q823 HydrophobicContact CB-CB 4.22Å; A818-Q823 PolarHBondContact O-N 3.42Å; A818-L825 HydrophobicContact CB-CD2 3.94Å; A818-L828 HydrophobicContact CB-CD1 3.28Å; A818-L828 HydrophobicContact CB-CD2 4.5Å; A818-L828 HydrophobicContact CB-CG 3.95Å; A818-N856 PolarHBondContact O-ND2 3.47Å
819	I	89.2	Confident	89	Confident	52 Å²	52	58 Å²	58	27%	0.267	29%	0.291	S	S	.	.	H	α-helix	trans	-57.1	-51.4	172.1	-67.5	171.2	0	0	0	109.6	V815 E816 K821 G822 L825 V855 N856	V815-I819 HydrophobicContact CG1-CD1 4.1Å; V815-I819 WeakPolarHBondContact O-CG1 3.48Å; V815-I819 PolarHBondContact O-N 2.56Å; E816-I819 PolarHBondContact O-N 3.03Å; I819-K821 VanDerWaalsContact C-N 3.29Å; I819-K821 PolarHBondContact O-N 3.13Å; I819-G822 PolarHBondContact O-N 3.06Å; I819-L825 HydrophobicContact CD1-CD1 4.38Å; I819-L825 HydrophobicContact CG1-CD1 4.2Å; I819-L825 HydrophobicContact CG1-CD2 4.08Å; I819-V855 HydrophobicContact CB-CG1 4.47Å; I819-V855 HydrophobicContact CD1-CG1 4.23Å; I819-V855 HydrophobicContact CG1-CG1 3.94Å; I819-V855 HydrophobicContact CG2-CG1 3.82Å; I819-N856 WeakPolarHBondContact CA-ND2 3.48Å; I819-N856 PolarHBondContact O-ND2 2.95Å; I819-N856 PolarHBondContact O-OD1 3.19Å
820	K	91.1	Very high	87.5	Confident	176 Å²	176	55.5 Å²	55.5	77%	0.765	29%	0.285	S	S	*	.	H	α-helix	trans	-61.5	-33.1	178.3	-72.9	175	-177.3	178.4	0	113.5	E816 K817 G822	E816-K820 WeakPolarHBondContact O-CB 2.92Å; E816-K820 VanDerWaalsContact O-CG 3.32Å; E816-K820 WeakPolarHBondContact O-CG 2.84Å; E816-K820 PolarHBondContact O-N 3.2Å; K817-K820 PolarHBondContact O-N 2.96Å; K820-G822 VanDerWaalsContact C-N 3.27Å; K820-G822 PolarHBondContact O-N 3.37Å
821	K	90.4	Very high	85.5	Confident	153 Å²	153	53.6 Å²	53.6	67%	0.665	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-3.9	175.8	-72.8	179.6	178.9	-171.6	0	114.1	K817 A818 I819 Q823	K817-K821 WeakPolarHBondContact O-CB 3.14Å; K817-K821 VanDerWaalsContact O-CG 3.31Å; K817-K821 WeakPolarHBondContact O-CG 3.32Å; K817-K821 PolarHBondContact O-N 2.9Å; A818-K821 PolarHBondContact O-N 2.92Å; I819-K821 VanDerWaalsContact C-N 3.29Å; I819-K821 PolarHBondContact O-N 3.13Å; K821-Q823 VanDerWaalsContact C-N 3.31Å; K821-Q823 HydrophobicContact CB-CG 4.02Å; K821-Q823 PolarHBondContact O-N 3.14Å
822	G	90	Very high	83.4	Confident	30 Å²	30	55.5 Å²	55.5	31%	0.309	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	19.3	-177.7	0	0	0	0	0	114.4	A818 I819 K820 N856 L890	A818-G822 PolarHBondContact O-N 3.23Å; A818-G822 VanDerWaalsContact O-N 3.15Å; I819-G822 PolarHBondContact O-N 3.06Å; K820-G822 VanDerWaalsContact C-N 3.27Å; K820-G822 PolarHBondContact O-N 3.37Å; G822-N856 VanDerWaalsContact CA-ND2 3.3Å; G822-N856 WeakPolarHBondContact CA-ND2 3Å; G822-L890 WeakPolarHBondContact O-CD2 3.46Å
823	Q	88.7	Confident	82.2	Confident	71 Å²	71	51 Å²	51	33%	0.332	26%	0.263	S	S	.	.			trans	-81.9	145.6	-178	-67.4	175.6	-31.3	0	0	112.1	A818 K821 L825 N856	A818-Q823 HydrophobicContact CB-CB 4.22Å; A818-Q823 PolarHBondContact O-N 3.42Å; K821-Q823 VanDerWaalsContact C-N 3.31Å; K821-Q823 HydrophobicContact CB-CG 4.02Å; K821-Q823 PolarHBondContact O-N 3.14Å; Q823-L825 PolarHBondContact O-N 3.18Å; Q823-N856 PolarHBondContact N-ND2 2.93Å; Q823-N856 VanDerWaalsContact N-ND2 3.15Å; Q823-N856 WeakPolarHBondContact O-CB 3.12Å; Q823-N856 PolarHBondContact O-ND2 3.39Å
824	C	89.3	Confident	81.5	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.259	C	S	.	.			trans	-67.2	130.1	170.2	176.2	0	0	0	0	109.8	F826 Q827 C857 L890	C824-F826 PolarHBondContact O-N 3.42Å; C824-Q827 WeakPolarHBondContact O-CB 3.2Å; C824-Q827 PolarHBondContact O-N 3Å; C824-C857 PolarHBondContact SG-SG 3.31Å; C824-L890 HydrophobicContact CB-CB 3.62Å; C824-L890 HydrophobicContact CB-CD1 4.37Å
825	L	87.6	Confident	80.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-68.9	-15.2	-176.5	-63.6	-177.4	0	0	0	113.8	V815 A818 I819 Q823 Q827 L828 S829 H837 C854	V815-L825 HydrophobicContact CG1-CD1 4.27Å; V815-L825 HydrophobicContact CG1-CD2 4.28Å; A818-L825 HydrophobicContact CB-CD2 3.94Å; I819-L825 HydrophobicContact CD1-CD1 4.38Å; I819-L825 HydrophobicContact CG1-CD1 4.2Å; I819-L825 HydrophobicContact CG1-CD2 4.08Å; Q823-L825 PolarHBondContact O-N 3.18Å; L825-Q827 PolarHBondContact O-N 3.26Å; L825-L828 HydrophobicContact CD2-CD1 3.96Å; L825-L828 PolarHBondContact O-N 3.3Å; L825-S829 PolarHBondContact O-N 3.18Å; L825-S829 VanDerWaalsContact O-N 3.1Å; L825-S829 PolarHBondContact O-OG 3.46Å; L825-H837 HydrophobicContact CD1-CB 3.55Å; L825-H837 WeakPolarHBondContact CD1-CD2 3.08Å; L825-C854 HydrophobicContact CB-CB 3.88Å; L825-C854 HydrophobicContact CD1-CB 3.88Å; L825-C854 HydrophobicContact CG-CB 3.88Å
826	F	85.9	Confident	80.9	Confident	30 Å²	30	49.9 Å²	49.9	13%	0.132	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-56.1	-32	167.9	-173	-86.9	0	0	0	112.2	C824 L828 S829 F876 C877 A881 Q891	C824-F826 PolarHBondContact O-N 3.42Å; F826-L828 PolarHBondContact O-N 2.97Å; F826-S829 WeakPolarHBondContact O-CB 2.85Å; F826-S829 PolarHBondContact O-N 3.12Å; F826-F876 HydrophobicContact CD2-CB 4.23Å; F826-F876 HydrophobicContact CD2-CD2 4.35Å; F826-F876 HydrophobicContact CE2-CD2 4.38Å; F826-C877 HydrophobicContact CB-CB 4.15Å; F826-A881 HydrophobicContact CD2-CB 3.91Å; F826-A881 VanDerWaalsContact CE2-CA 3.5Å; F826-A881 HydrophobicContact CE2-CB 3.47Å; F826-A881 VanDerWaalsContact CE2-CB 3.47Å; F826-A881 HydrophobicContact CZ-CB 4.2Å; F826-Q891 VanDerWaalsContact CE1-NE2 3.26Å
827	Q	82.4	Confident	80.8	Confident	65 Å²	65	45.6 Å²	45.6	30%	0.304	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-67.9	-20	176.8	-64.8	-179.5	-15.6	0	0	113.6	C824 L825 L890	C824-Q827 WeakPolarHBondContact O-CB 3.2Å; C824-Q827 PolarHBondContact O-N 3Å; L825-Q827 PolarHBondContact O-N 3.26Å; Q827-L890 PolarHBondContact NE2-O 3.1Å
828	L	80.1	Confident	80.6	Confident	23 Å²	23	42.9 Å²	42.9	12%	0.12	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-23.6	175.5	-72.9	-175.9	0	0	0	112.8	V815 A818 L825 F826 P835	V815-L828 HydrophobicContact CG2-CD1 4.49Å; A818-L828 HydrophobicContact CB-CD1 3.28Å; A818-L828 HydrophobicContact CB-CD2 4.5Å; A818-L828 HydrophobicContact CB-CG 3.95Å; L825-L828 HydrophobicContact CD2-CD1 3.96Å; L825-L828 PolarHBondContact O-N 3.3Å; F826-L828 PolarHBondContact O-N 2.97Å; L828-P835 HydrophobicContact CB-CG 4.26Å
829	S	74.4	Confident	80.4	Confident	9 Å²	9	43 Å²	43	6%	0.063	22%	0.223	C	C	.	.			trans	-64	145.4	169.9	-56.1	0	0	0	0	109.6	L825 F826 S833 P835	L825-S829 PolarHBondContact O-N 3.18Å; L825-S829 VanDerWaalsContact O-N 3.1Å; L825-S829 PolarHBondContact O-OG 3.46Å; F826-S829 WeakPolarHBondContact O-CB 2.85Å; F826-S829 PolarHBondContact O-N 3.12Å; S829-S833 WeakPolarHBondContact CA-O 3.32Å; S829-P835 WeakPolarHBondContact OG-CD 3.46Å
830	S	64.8	Low	80.4	Confident	42 Å²	42	42.7 Å²	42.7	29%	0.294	22%	0.219	S	C	.	.			trans	-116.8	172.9	164.1	70	0	0	0	0	109.1	T832 S833	S830-T832 PolarHBondContact O-N 3.17Å; S830-T832 PolarHBondContact OG-N 3.21Å; S830-T832 PolarHBondContact OG-OG1 3.2Å; S830-S833 PolarHBondContact N-O 2.71Å; S830-S833 PolarHBondContact O-N 3.06Å; S830-S833 WeakPolarHBondContact OG-CB 3.44Å; S830-S833 PolarHBondContact OG-N 3.43Å
831	C	54.6	Low	80.3	Confident	54 Å²	54	34.4 Å²	34.4	37%	0.365	18%	0.183	S	C	.	.	S	Bend	trans	-54.1	-15.5	170.8	52.7	0	0	0	0	113.8	N897	C831-N897 HydrophobicContact CB-CB 4.32Å
832	T	51.3	Low	80.3	Confident	63 Å²	63	27.1 Å²	27.1	39%	0.387	15%	0.151	S	C	.	.	S	Bend	trans	-121.9	-29.9	-178.9	60	0	0	0	0	112.5	H744 S830	H744-T832 VanDerWaalsContact CE1-CB 3.43Å; H744-T832 WeakPolarHBondContact CE1-CB 3.12Å; H744-T832 PolarHBondContact CE1-O 2.98Å; H744-T832 PolarHBondContact ND1-O 2.88Å; H744-T832 WeakPolarHBondContact NE2-CB 3.48Å; H744-T832 PolarHBondContact NE2-O 3.41Å; H744-T832 PolarHBondContact NE2-OG1 2.85Å; S830-T832 PolarHBondContact O-N 3.17Å; S830-T832 PolarHBondContact OG-N 3.21Å; S830-T832 PolarHBondContact OG-OG1 3.2Å
833	S	66	Low	80.1	Confident	9 Å²	9	31.5 Å²	31.5	6%	0.063	16%	0.164	C	C	.	.			trans	-111.9	116.7	-174.6	177.1	0	0	0	0	112.4	S829 S830 P835	S829-S833 WeakPolarHBondContact CA-O 3.32Å; S830-S833 PolarHBondContact N-O 2.71Å; S830-S833 PolarHBondContact O-N 3.06Å; S830-S833 WeakPolarHBondContact OG-CB 3.44Å; S830-S833 PolarHBondContact OG-N 3.43Å; S833-P835 WeakPolarHBondContact O-CD 3.49Å
834	F	77.4	Confident	80.1	Confident	44 Å²	44	32.2 Å²	32.2	19%	0.193	17%	0.173	C	C	.	.			trans	-102	107.5	171.6	-53	-69.2	0	0	0	110	R874 F876	F834-R874 HydrophobicContact CB-CB 4.39Å; F834-F876 HydrophobicContact CD1-CB 3.91Å; F834-F876 HydrophobicContact CD1-CD1 4.1Å; F834-F876 HydrophobicContact CE1-CB 4.06Å; F834-F876 AromaticContact CE1-CD1 3.67Å; F834-F876 HydrophobicContact CE1-CD1 3.67Å; F834-F876 HydrophobicContact CE1-CG 4.29Å; F834-F876 HydrophobicContact CZ-CD1 4.4Å
835	P	78.2	Confident	79.8	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.182	C	C	.	.			trans	-62.9	139.3	176.5	23.1	-29.6	0	0	0	111	V815 L828 S829 S833 H837	V815-P835 HydrophobicContact CG2-CB 3.46Å; V815-P835 VanDerWaalsContact CG2-CB 3.46Å; V815-P835 HydrophobicContact CG2-CG 4.5Å; L828-P835 HydrophobicContact CB-CG 4.26Å; S829-P835 WeakPolarHBondContact OG-CD 3.46Å; S833-P835 WeakPolarHBondContact O-CD 3.49Å; P835-H837 PolarHBondContact O-CD2 3.1Å; P835-H837 PolarHBondContact O-N 3.47Å
836	M	87.4	Confident	79.4	Confident	15 Å²	15	36.5 Å²	36.5	7%	0.074	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	126.6	176	-165	179.5	-84.6	0	0	111.2	E771 A794 L795 A796 H872 D873 R874	E771-M836 HydrophobicContact CG-CE 3.51Å; E771-M836 WeakPolarHBondContact OE1-CE 3.37Å; A794-M836 HydrophobicContact CB-CB 4.25Å; A794-M836 HydrophobicContact CB-SD 3.88Å; L795-M836 PolarHBondContact N-SD 3.03Å; L795-M836 VanDerWaalsContact N-SD 3.42Å; A796-M836 HydrophobicContact CB-CE 4.04Å; A796-M836 HydrophobicContact CB-SD 4.4Å; A796-M836 PolarHBondContact N-SD 3.44Å; A796-M836 VanDerWaalsContact N-SD 3.38Å; M836-H872 VanDerWaalsContact CG-CD2 3.49Å; M836-H872 WeakPolarHBondContact CG-CD2 3.31Å; M836-H872 WeakPolarHBondContact CG-NE2 3.44Å; M836-D873 WeakPolarHBondContact CA-O 3.45Å; M836-D873 WeakPolarHBondContact CG-O 3.27Å; M836-R874 HydrophobicContact CE-CG 4.34Å
837	H	86.8	Confident	79	Confident	4 Å²	4	35.9 Å²	35.9	2%	0.019	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	174.2	179.4	72.1	80.8	0	0	0	113.2	V815 L825 P835 F839 H872 D873	V815-H837 HydrophobicContact CG1-CB 4.27Å; L825-H837 HydrophobicContact CD1-CB 3.55Å; L825-H837 WeakPolarHBondContact CD1-CD2 3.08Å; P835-H837 PolarHBondContact O-CD2 3.1Å; P835-H837 PolarHBondContact O-N 3.47Å; H837-F839 AromaticContact CD2-CE1 3.81Å; H837-F839 AromaticContact CE1-CD1 3.35Å; H837-F839 WeakPolarHBondContact CE1-CD1 2.99Å; H837-F839 AromaticContact CE1-CE1 3Å; H837-F839 WeakPolarHBondContact CE1-CE1 3.03Å; H837-F839 AromaticContact CE1-CZ 3.86Å; H837-F839 AromaticContact CG-CE1 3.92Å; H837-F839 AromaticContact ND1-CD1 3.74Å; H837-F839 AromaticContact ND1-CE1 3.44Å; H837-F839 WeakPolarHBondContact ND1-CE1 3.4Å; H837-F839 AromaticContact ND1-CZ 3.91Å; H837-F839 AromaticContact NE2-CE1 3.3Å; H837-F839 VanDerWaalsContact NE2-CE1 3.3Å; H837-F839 WeakPolarHBondContact NE2-CE1 3.45Å; H837-F839 AromaticContact NE2-CZ 3.99Å; H837-F839 WeakPolarHBondContact O-CD2 3.44Å; H837-F839 WeakPolarHBondContact O-CE2 3.34Å; H837-F839 WeakPolarHBondContact O-CZ 3.39Å; H837-H872 WeakPolarHBondContact O-CA 3.2Å; H837-D873 PolarHBondContact N-O 3.07Å; H837-D873 VanDerWaalsContact N-O 3.1Å; H837-D873 PolarHBondContact O-N 3.46Å
838	D	88.9	Confident	78.7	Confident	59 Å²	59	36.7 Å²	36.7	32%	0.316	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	127.4	175.5	-63.7	-25.8	0	0	0	111.3	Y840 F869 H872	D838-Y840 HydrophobicContact CB-CE2 3.77Å; D838-F869 HydrophobicContact CB-CD2 4.28Å; D838-F869 HydrophobicContact CB-CE2 3.86Å; D838-H872 PolarHBondContact N-ND1 2.78Å; D838-H872 IonicContact OD1-CE1 2.68Å; D838-H872 IonicContact OD1-CG 2.94Å; D838-H872 IonicContact OD1-ND1 3.57Å; D838-H872 PolarHBondContact OD1-ND1 3.46Å
839	F	83.7	Confident	78.1	Confident	3 Å²	3	44.1 Å²	44.1	1%	0.013	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	142	174.5	-56.3	-67.8	0	0	0	112.3	H837 A852 V870 R871 D873 F875	H837-F839 AromaticContact CD2-CE1 3.81Å; H837-F839 AromaticContact CE1-CD1 3.35Å; H837-F839 WeakPolarHBondContact CE1-CD1 2.99Å; H837-F839 AromaticContact CE1-CE1 3Å; H837-F839 WeakPolarHBondContact CE1-CE1 3.03Å; H837-F839 AromaticContact CE1-CZ 3.86Å; H837-F839 AromaticContact CG-CE1 3.92Å; H837-F839 AromaticContact ND1-CD1 3.74Å; H837-F839 AromaticContact ND1-CE1 3.44Å; H837-F839 WeakPolarHBondContact ND1-CE1 3.4Å; H837-F839 AromaticContact ND1-CZ 3.91Å; H837-F839 AromaticContact NE2-CE1 3.3Å; H837-F839 VanDerWaalsContact NE2-CE1 3.3Å; H837-F839 WeakPolarHBondContact NE2-CE1 3.45Å; H837-F839 AromaticContact NE2-CZ 3.99Å; H837-F839 WeakPolarHBondContact O-CD2 3.44Å; H837-F839 WeakPolarHBondContact O-CE2 3.34Å; H837-F839 WeakPolarHBondContact O-CZ 3.39Å; F839-A852 HydrophobicContact CB-CB 4.09Å; F839-A852 HydrophobicContact CD1-CB 3.42Å; F839-A852 VanDerWaalsContact CD1-CB 3.42Å; F839-A852 HydrophobicContact CE1-CB 4.17Å; F839-A852 HydrophobicContact CG-CB 3.89Å; F839-V870 PolarHBondContact O-N 3.22Å; F839-R871 WeakPolarHBondContact CB-O 3.46Å; F839-R871 HydrophobicContact CD2-CG 4.33Å; F839-R871 WeakPolarHBondContact CD2-O 3.15Å; F839-R871 PolarHBondContact N-O 3.47Å; F839-D873 HydrophobicContact CD2-CB 4.3Å; F839-D873 HydrophobicContact CE2-CB 3.81Å; F839-D873 VanDerWaalsContact CE2-N 3.3Å; F839-D873 WeakPolarHBondContact CE2-O 3.35Å; F839-D873 WeakPolarHBondContact CZ-O 3.38Å; F839-F875 HydrophobicContact CD1-CB 3.96Å; F839-F875 HydrophobicContact CD1-CD2 4.2Å; F839-F875 AromaticContact CD2-CD2 3.5Å; F839-F875 HydrophobicContact CD2-CD2 3.5Å; F839-F875 HydrophobicContact CD2-CE2 4.15Å; F839-F875 HydrophobicContact CE1-CB 3.37Å; F839-F875 AromaticContact CE1-CD2 3.99Å; F839-F875 HydrophobicContact CE1-CD2 3.99Å; F839-F875 HydrophobicContact CE1-CG 4.17Å; F839-F875 HydrophobicContact CE2-CB 4.23Å; F839-F875 AromaticContact CE2-CD2 3.33Å; F839-F875 HydrophobicContact CE2-CD2 3.33Å; F839-F875 HydrophobicContact CE2-CE2 4.11Å; F839-F875 HydrophobicContact CE2-CG 4.24Å; F839-F875 AromaticContact CG-CD2 3.97Å; F839-F875 HydrophobicContact CG-CD2 3.97Å; F839-F875 HydrophobicContact CZ-CB 3.59Å; F839-F875 AromaticContact CZ-CD2 3.61Å; F839-F875 HydrophobicContact CZ-CD2 3.61Å; F839-F875 HydrophobicContact CZ-CG 4.08Å
840	Y	89.8	Confident	77.9	Confident	47 Å²	47	54.3 Å²	54.3	18%	0.184	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145.5	175.4	-56.6	-94	0	0	0	109.6	D838 I853 V855 V858 H868 F869	D838-Y840 HydrophobicContact CB-CE2 3.77Å; Y840-I853 WeakPolarHBondContact CD2-O 3.32Å; Y840-I853 PolarHBondContact N-O 3.43Å; Y840-I853 WeakPolarHBondContact O-CB 3.48Å; Y840-I853 PolarHBondContact O-N 3.3Å; Y840-V855 HydrophobicContact CE2-CB 3.99Å; Y840-V855 HydrophobicContact CE2-CG2 4.27Å; Y840-V858 HydrophobicContact CD1-CG2 4.48Å; Y840-V858 HydrophobicContact CD2-CG2 3.78Å; Y840-V858 HydrophobicContact CG-CG2 3.7Å; Y840-H868 WeakPolarHBondContact CA-O 3.2Å; Y840-F869 HydrophobicContact CD1-CB 4.18Å; Y840-F869 HydrophobicContact CE1-CB 4Å; Y840-F869 HydrophobicContact CE1-CD2 4.13Å
841	S	89.1	Confident	78.6	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.014	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	143.2	168.2	45.1	0	0	0	0	108.1	T847 V867 H868 V870	S841-T847 WeakPolarHBondContact CA-OG1 3.49Å; S841-T847 WeakPolarHBondContact CB-OG1 3.36Å; S841-V867 CarbonylContact O-C 3.56Å; S841-V867 WeakPolarHBondContact O-CA 3.3Å; S841-H868 PolarHBondContact N-O 2.94Å; S841-H868 PolarHBondContact O-N 2.83Å; S841-H868 PolarHBondContact OG-CD2 3Å; S841-H868 PolarHBondContact OG-CE1 3.37Å; S841-H868 PolarHBondContact OG-ND1 2.99Å; S841-H868 VanDerWaalsContact OG-ND1 3.16Å; S841-H868 PolarHBondContact OG-NE2 3.47Å; S841-V870 WeakPolarHBondContact OG-CG2 3.3Å
842	C	90	Very high	79.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	102.9	-178	177.8	0	0	0	0	110.3	T844 C845 G846 T847 I853 H865 S866 V867	C842-T844 VanDerWaalsContact C-N 3.26Å; C842-T844 PolarHBondContact O-N 2.93Å; C842-C845 HydrophobicContact CB-CB 4.22Å; C842-C845 PolarHBondContact O-N 3.41Å; C842-C845 VanDerWaalsContact O-N 3.09Å; C842-C845 PolarHBondContact SG-N 3.29Å; C842-G846 PolarHBondContact O-N 3.4Å; C842-T847 WeakPolarHBondContact CA-OG1 3.31Å; C842-T847 HydrophobicContact CB-CG2 4Å; C842-T847 PolarHBondContact N-OG1 3.21Å; C842-T847 PolarHBondContact O-N 2.89Å; C842-T847 PolarHBondContact O-OG1 3.47Å; C842-T847 VanDerWaalsContact O-OG1 3.06Å; C842-I853 HydrophobicContact CB-CD1 3.42Å; C842-I853 VanDerWaalsContact CB-CD1 3.42Å; C842-H865 WeakPolarHBondContact SG-CB 3.39Å; C842-H865 PolarHBondContact SG-ND1 3.03Å; C842-S866 CarbonylContact C-O 3.57Å; C842-V867 HydrophobicContact CB-CG1 3.88Å
843	H	85.8	Confident	81.6	Confident	122 Å²	122	48.3 Å²	48.3	57%	0.565	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-59	-38.5	176.3	-73.6	102.1	0	0	0	112.1	C845 G846 S866 H868	H843-C845 PolarHBondContact O-N 3.15Å; H843-G846 PolarHBondContact O-N 3.25Å; H843-S866 PolarHBondContact N-O 3.03Å; H843-H868 AromaticContact CE1-CE1 2.95Å; H843-H868 PolarHBondContact CE1-CE1 3.17Å; H843-H868 AromaticContact CE1-CG 3.99Å; H843-H868 AromaticContact CE1-ND1 2.98Å; H843-H868 PolarHBondContact CE1-ND1 3.39Å; H843-H868 AromaticContact CE1-NE2 3.98Å; H843-H868 AromaticContact ND1-CE1 3.48Å; H843-H868 PolarHBondContact ND1-CE1 3.04Å; H843-H868 AromaticContact ND1-ND1 3.18Å; H843-H868 PolarHBondContact ND1-ND1 3.06Å; H843-H868 VanDerWaalsContact ND1-ND1 3.18Å; H843-H868 AromaticContact NE2-CE1 3.57Å; H843-H868 AromaticContact NE2-ND1 4Å
844	T	87.5	Confident	82.8	Confident	86 Å²	86	47.9 Å²	47.9	53%	0.528	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-61	-26.2	178.3	-51.9	0	0	0	0	112.9	C842 H865 S866	C842-T844 VanDerWaalsContact C-N 3.26Å; C842-T844 PolarHBondContact O-N 2.93Å; T844-H865 HydrophobicContact CG2-CB 4.3Å; T844-S866 PolarHBondContact OG1-N 3.06Å
845	C	83.7	Confident	83.4	Confident	29 Å²	29	46.8 Å²	46.8	20%	0.196	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-102.9	8.8	178.3	-65.4	0	0	0	0	112.7	C842 H843 T847 H865	C842-C845 HydrophobicContact CB-CB 4.22Å; C842-C845 PolarHBondContact O-N 3.41Å; C842-C845 VanDerWaalsContact O-N 3.09Å; C842-C845 PolarHBondContact SG-N 3.29Å; H843-C845 PolarHBondContact O-N 3.15Å; C845-T847 HydrophobicContact CB-CG2 4.3Å; C845-T847 PolarHBondContact O-N 3.18Å; C845-H865 PolarHBondContact SG-CE1 3.02Å; C845-H865 PolarHBondContact SG-ND1 3.46Å
846	G	78.6	Confident	84.1	Confident	60 Å²	60	47.1 Å²	47.1	62%	0.619	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	25	-179	0	0	0	0	0	114.5	C842 H843 T848	C842-G846 PolarHBondContact O-N 3.4Å; H843-G846 PolarHBondContact O-N 3.25Å; G846-T848 PolarHBondContact O-N 2.98Å
847	T	79.2	Confident	84.3	Confident	18 Å²	18	46.4 Å²	46.4	11%	0.11	25%	0.245	C	C	.	.			trans	-64.1	135	178.1	60.7	0	0	0	0	110.2	S841 C842 C845 I853 L884	S841-T847 WeakPolarHBondContact CA-OG1 3.49Å; S841-T847 WeakPolarHBondContact CB-OG1 3.36Å; C842-T847 WeakPolarHBondContact CA-OG1 3.31Å; C842-T847 HydrophobicContact CB-CG2 4Å; C842-T847 PolarHBondContact N-OG1 3.21Å; C842-T847 PolarHBondContact O-N 2.89Å; C842-T847 PolarHBondContact O-OG1 3.47Å; C842-T847 VanDerWaalsContact O-OG1 3.06Å; C845-T847 HydrophobicContact CB-CG2 4.3Å; C845-T847 PolarHBondContact O-N 3.18Å; T847-I853 HydrophobicContact CG2-CD1 3.87Å; T847-L884 HydrophobicContact CG2-CD1 4.01Å; T847-L884 HydrophobicContact CG2-CD2 3.78Å
848	T	74.3	Confident	84.5	Confident	82 Å²	82	47.3 Å²	47.3	50%	0.503	25%	0.251	S	S	.	.			trans	-86.6	175.3	173	67.2	0	0	0	0	110.8	G846 R850 S851	G846-T848 PolarHBondContact O-N 2.98Å; T848-R850 PolarHBondContact O-N 2.94Å; T848-R850 PolarHBondContact OG1-N 3.39Å; T848-S851 PolarHBondContact O-N 2.72Å
849	E	68.2	Low	84.6	Confident	178 Å²	178	50.9 Å²	50.9	83%	0.832	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-13.9	170.8	-62.3	-176.7	172.6	0	0	113.7
850	R	70	Confident	84.9	Confident	224 Å²	224	55.7 Å²	55.7	85%	0.845	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-10.5	174	-60.4	-175.3	179.6	-168.7	0.2	113.2	T848	T848-R850 PolarHBondContact O-N 2.94Å; T848-R850 PolarHBondContact OG1-N 3.39Å
851	S	79.3	Confident	85	Confident	25 Å²	25	54 Å²	54	18%	0.175	28%	0.28	C	S	.	.			trans	-107.2	126.8	-177.9	-58.1	0	0	0	0	109.9	T848 D878	T848-S851 PolarHBondContact O-N 2.72Å; S851-D878 VanDerWaalsContact CA-OD2 3.31Å; S851-D878 WeakPolarHBondContact CA-OD2 3.47Å
852	A	81.3	Confident	85	Confident	7 Å²	7	54 Å²	54	6%	0.058	28%	0.279	C	S	.	.			trans	-125.4	122.3	-170.3	0	0	0	0	0	110.4	F839 F875 C877 D878	F839-A852 HydrophobicContact CB-CB 4.09Å; F839-A852 HydrophobicContact CD1-CB 3.42Å; F839-A852 VanDerWaalsContact CD1-CB 3.42Å; F839-A852 HydrophobicContact CE1-CB 4.17Å; F839-A852 HydrophobicContact CG-CB 3.89Å; A852-F875 HydrophobicContact CB-CB 3.84Å; A852-F875 HydrophobicContact CB-CG 4.22Å; A852-C877 CarbonylContact O-C 3.5Å; A852-C877 VanDerWaalsContact O-CA 3.3Å; A852-C877 WeakPolarHBondContact O-CA 3.36Å; A852-D878 PolarHBondContact N-OD2 2.83Å; A852-D878 PolarHBondContact O-N 2.85Å
853	I	89.1	Confident	85	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	135	-180	-57.9	163.1	0	0	0	108.9	Y840 C842 T847 C857 V858 C879 L884	Y840-I853 WeakPolarHBondContact CD2-O 3.32Å; Y840-I853 PolarHBondContact N-O 3.43Å; Y840-I853 WeakPolarHBondContact O-CB 3.48Å; Y840-I853 PolarHBondContact O-N 3.3Å; C842-I853 HydrophobicContact CB-CD1 3.42Å; C842-I853 VanDerWaalsContact CB-CD1 3.42Å; T847-I853 HydrophobicContact CG2-CD1 3.87Å; I853-C857 HydrophobicContact CG2-CB 3.48Å; I853-C857 VanDerWaalsContact CG2-CB 3.48Å; I853-V858 HydrophobicContact CB-CG2 4.36Å; I853-V858 HydrophobicContact CG2-CG2 3.79Å; I853-C879 HydrophobicContact CG2-CB 4.31Å; I853-L884 HydrophobicContact CD1-CD1 3.89Å; I853-L884 HydrophobicContact CG1-CD1 3.8Å
854	C	90.1	Very high	85.2	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	156	175.6	76.9	0	0	0	0	113	L825 N856 C857 V858 C877	L825-C854 HydrophobicContact CB-CB 3.88Å; L825-C854 HydrophobicContact CD1-CB 3.88Å; L825-C854 HydrophobicContact CG-CB 3.88Å; C854-N856 PolarHBondContact O-N 3.42Å; C854-C857 PolarHBondContact O-N 2.84Å; C854-C857 VanDerWaalsContact SG-SG 3.6Å; C854-V858 PolarHBondContact O-N 3.34Å; C854-C877 HydrophobicContact CB-CB 3.95Å; C854-C877 PolarHBondContact N-SG 3.32Å
855	V	91.3	Very high	85.4	Confident	21 Å²	21	58.9 Å²	58.9	13%	0.127	32%	0.316	C	S	.	.	H	α-helix	trans	-51	-35.4	-178.4	70.3	0	0	0	0	114.5	I819 Y840 K859	I819-V855 HydrophobicContact CB-CG1 4.47Å; I819-V855 HydrophobicContact CD1-CG1 4.23Å; I819-V855 HydrophobicContact CG1-CG1 3.94Å; I819-V855 HydrophobicContact CG2-CG1 3.82Å; Y840-V855 HydrophobicContact CE2-CB 3.99Å; Y840-V855 HydrophobicContact CE2-CG2 4.27Å; V855-K859 WeakPolarHBondContact O-CG 3.35Å; V855-K859 PolarHBondContact O-N 3.44Å; V855-K859 VanDerWaalsContact O-N 3.17Å
856	N	91.6	Very high	85.7	Confident	7 Å²	7	61 Å²	61	4%	0.037	33%	0.33	C	S	.	.	H	α-helix	trans	-77.7	-37.2	179.9	-73.2	-19.3	0	0	0	112.2	A818 I819 G822 Q823 C854 V858 K859 K860 L890	A818-N856 PolarHBondContact O-ND2 3.47Å; I819-N856 WeakPolarHBondContact CA-ND2 3.48Å; I819-N856 PolarHBondContact O-ND2 2.95Å; I819-N856 PolarHBondContact O-OD1 3.19Å; G822-N856 VanDerWaalsContact CA-ND2 3.3Å; G822-N856 WeakPolarHBondContact CA-ND2 3Å; Q823-N856 PolarHBondContact N-ND2 2.93Å; Q823-N856 VanDerWaalsContact N-ND2 3.15Å; Q823-N856 WeakPolarHBondContact O-CB 3.12Å; Q823-N856 PolarHBondContact O-ND2 3.39Å; C854-N856 PolarHBondContact O-N 3.42Å; N856-V858 VanDerWaalsContact C-N 3.28Å; N856-V858 PolarHBondContact O-N 3.33Å; N856-K859 PolarHBondContact O-N 3.48Å; N856-K860 PolarHBondContact O-N 3.31Å; N856-L890 VanDerWaalsContact C-CD1 3.42Å; N856-L890 HydrophobicContact CB-CD1 3.69Å; N856-L890 WeakPolarHBondContact O-CD1 3.45Å
857	C	91.2	Very high	86.2	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64	-37.3	171.9	-74.5	0	0	0	0	111	C824 I853 C854 K859 K860 C861 H862 C879 C888	C824-C857 PolarHBondContact SG-SG 3.31Å; I853-C857 HydrophobicContact CG2-CB 3.48Å; I853-C857 VanDerWaalsContact CG2-CB 3.48Å; C854-C857 PolarHBondContact O-N 2.84Å; C854-C857 VanDerWaalsContact SG-SG 3.6Å; C857-K859 VanDerWaalsContact C-N 3.34Å; C857-K859 PolarHBondContact O-N 3Å; C857-K860 PolarHBondContact O-N 3.21Å; C857-C861 HydrophobicContact CB-CB 4.45Å; C857-C861 WeakPolarHBondContact O-CA 3.44Å; C857-C861 WeakPolarHBondContact O-CB 3.3Å; C857-C861 PolarHBondContact O-N 3.15Å; C857-H862 PolarHBondContact O-CD2 3.04Å; C857-H862 PolarHBondContact O-N 2.79Å; C857-C879 HydrophobicContact CB-CB 4.02Å; C857-C879 VanDerWaalsContact SG-SG 3.67Å; C857-C888 VanDerWaalsContact SG-SG 3.64Å
858	V	90.8	Very high	86.8	Confident	23 Å²	23	63.4 Å²	63.4	14%	0.139	33%	0.327	C	S	.	.	H	α-helix	trans	-57.6	-47.8	172.1	173.8	0	0	0	0	111.2	Y840 I853 C854 N856 K860 H862 K863 V867	Y840-V858 HydrophobicContact CD1-CG2 4.48Å; Y840-V858 HydrophobicContact CD2-CG2 3.78Å; Y840-V858 HydrophobicContact CG-CG2 3.7Å; I853-V858 HydrophobicContact CB-CG2 4.36Å; I853-V858 HydrophobicContact CG2-CG2 3.79Å; C854-V858 PolarHBondContact O-N 3.34Å; N856-V858 VanDerWaalsContact C-N 3.28Å; N856-V858 PolarHBondContact O-N 3.33Å; V858-K860 VanDerWaalsContact C-N 3.33Å; V858-K860 PolarHBondContact O-N 3.23Å; V858-H862 CarbonylContact O-C 3.24Å; V858-H862 VanDerWaalsContact O-C 3.24Å; V858-K863 PolarHBondContact O-N 3.28Å; V858-V867 HydrophobicContact CG1-CB 4.41Å; V858-V867 HydrophobicContact CG1-CG1 4.33Å; V858-V867 HydrophobicContact CG1-CG2 3.77Å
859	K	91	Very high	87.5	Confident	135 Å²	135	64.1 Å²	64.1	59%	0.587	32%	0.324	S	S	*	.	H	α-helix	trans	-67.7	-28	-178.1	-72	172.6	-178.3	176.1	0	114.5	V855 N856 C857	V855-K859 WeakPolarHBondContact O-CG 3.35Å; V855-K859 PolarHBondContact O-N 3.44Å; V855-K859 VanDerWaalsContact O-N 3.17Å; N856-K859 PolarHBondContact O-N 3.48Å; C857-K859 VanDerWaalsContact C-N 3.34Å; C857-K859 PolarHBondContact O-N 3Å
860	K	91.5	Very high	88.4	Confident	103 Å²	103	58.3 Å²	58.3	45%	0.448	30%	0.3	S	S	.	.	H	α-helix	trans	-114.3	-57.6	-173.5	-159.9	-178.8	-177.3	-169.2	0	113.8	N856 C857 V858 Q889 L890	N856-K860 PolarHBondContact O-N 3.31Å; C857-K860 PolarHBondContact O-N 3.21Å; V858-K860 VanDerWaalsContact C-N 3.33Å; V858-K860 PolarHBondContact O-N 3.23Å; K860-Q889 HydrophobicContact CD-CB 4.23Å; K860-Q889 HydrophobicContact CG-CB 4.47Å; K860-Q889 PolarHBondContact NZ-O 3.21Å; K860-L890 HydrophobicContact CB-CD1 4.21Å; K860-L890 HydrophobicContact CB-CD2 4.4Å; K860-L890 HydrophobicContact CB-CG 4.24Å; K860-L890 HydrophobicContact CD-CD2 3.25Å; K860-L890 HydrophobicContact CD-CG 3.75Å; K860-L890 HydrophobicContact CG-CD2 4.43Å
861	C	90.5	Very high	89.3	Confident	13 Å²	13	52.3 Å²	52.3	9%	0.088	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-31.1	-173.6	-51.1	0	0	0	0	112.5	C857 Q889	C857-C861 HydrophobicContact CB-CB 4.45Å; C857-C861 WeakPolarHBondContact O-CA 3.44Å; C857-C861 WeakPolarHBondContact O-CB 3.3Å; C857-C861 PolarHBondContact O-N 3.15Å; C861-Q889 PolarHBondContact SG-N 3.06Å
862	H	89.1	Confident	89.8	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.009	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	27.5	178.6	-54.6	-90.1	0	0	0	111.8	C857 V858 G864 H865 V867 S886	C857-H862 PolarHBondContact O-CD2 3.04Å; C857-H862 PolarHBondContact O-N 2.79Å; V858-H862 CarbonylContact O-C 3.24Å; V858-H862 VanDerWaalsContact O-C 3.24Å; H862-G864 PolarHBondContact O-N 2.69Å; H862-H865 HydrophobicContact CB-CB 4.08Å; H862-H865 AromaticContact CG-ND1 4Å; H862-H865 AromaticContact ND1-CE1 3.94Å; H862-H865 AromaticContact ND1-ND1 3.45Å; H862-H865 PolarHBondContact ND1-ND1 3.45Å; H862-H865 WeakPolarHBondContact O-CB 3.38Å; H862-H865 PolarHBondContact O-N 3.07Å; H862-V867 HydrophobicContact CB-CG1 4.35Å; H862-S886 PolarHBondContact CE1-OG 2.88Å
863	K	91	Very high	90	Very high	170 Å²	170	53.8 Å²	53.8	74%	0.739	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	120.1	177.4	-173.2	-179.1	176.5	-175.1	0	109	V858	V858-K863 PolarHBondContact O-N 3.28Å
864	G	90.7	Very high	89.7	Confident	82 Å²	82	55.9 Å²	55.9	85%	0.845	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	-0.2	-177.5	0	0	0	0	0	114.7	H862	H862-G864 PolarHBondContact O-N 2.69Å
865	H	91.3	Very high	89.2	Confident	58 Å²	58	58.9 Å²	58.9	27%	0.269	30%	0.302	S	S	.	.	S	Bend	trans	-84.8	157.3	174.6	-65	-164.1	0	0	0	111.5	C842 T844 C845 H862 V867	C842-H865 WeakPolarHBondContact SG-CB 3.39Å; C842-H865 PolarHBondContact SG-ND1 3.03Å; T844-H865 HydrophobicContact CG2-CB 4.3Å; C845-H865 PolarHBondContact SG-CE1 3.02Å; C845-H865 PolarHBondContact SG-ND1 3.46Å; H862-H865 HydrophobicContact CB-CB 4.08Å; H862-H865 AromaticContact CG-ND1 4Å; H862-H865 AromaticContact ND1-CE1 3.94Å; H862-H865 AromaticContact ND1-ND1 3.45Å; H862-H865 PolarHBondContact ND1-ND1 3.45Å; H862-H865 WeakPolarHBondContact O-CB 3.38Å; H862-H865 PolarHBondContact O-N 3.07Å; H865-V867 HydrophobicContact CB-CG1 4.33Å; H865-V867 PolarHBondContact O-N 2.7Å
866	S	90.6	Very high	88.8	Confident	72 Å²	72	61.4 Å²	61.4	50%	0.503	31%	0.311	S	S	.	.			trans	-77.6	102.8	170.3	-178.8	0	0	0	0	109.8	C842 H843 T844	C842-S866 CarbonylContact C-O 3.57Å; H843-S866 PolarHBondContact N-O 3.03Å; T844-S866 PolarHBondContact OG1-N 3.06Å
867	V	89.2	Confident	88.7	Confident	49 Å²	49	61 Å²	61	30%	0.297	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	146.4	-178.6	-66	0	0	0	0	110.9	S841 C842 V858 H862 H865	S841-V867 CarbonylContact O-C 3.56Å; S841-V867 WeakPolarHBondContact O-CA 3.3Å; C842-V867 HydrophobicContact CB-CG1 3.88Å; V858-V867 HydrophobicContact CG1-CB 4.41Å; V858-V867 HydrophobicContact CG1-CG1 4.33Å; V858-V867 HydrophobicContact CG1-CG2 3.77Å; H862-V867 HydrophobicContact CB-CG1 4.35Å; H865-V867 HydrophobicContact CB-CG1 4.33Å; H865-V867 PolarHBondContact O-N 2.7Å
868	H	90.4	Very high	88.5	Confident	80 Å²	80	61.8 Å²	61.8	37%	0.37	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	150.3	172.4	61.3	-76.8	0	0	0	110.9	Y840 S841 H843	Y840-H868 WeakPolarHBondContact CA-O 3.2Å; S841-H868 PolarHBondContact N-O 2.94Å; S841-H868 PolarHBondContact O-N 2.83Å; S841-H868 PolarHBondContact OG-CD2 3Å; S841-H868 PolarHBondContact OG-CE1 3.37Å; S841-H868 PolarHBondContact OG-ND1 2.99Å; S841-H868 VanDerWaalsContact OG-ND1 3.16Å; S841-H868 PolarHBondContact OG-NE2 3.47Å; H843-H868 AromaticContact CE1-CE1 2.95Å; H843-H868 PolarHBondContact CE1-CE1 3.17Å; H843-H868 AromaticContact CE1-CG 3.99Å; H843-H868 AromaticContact CE1-ND1 2.98Å; H843-H868 PolarHBondContact CE1-ND1 3.39Å; H843-H868 AromaticContact CE1-NE2 3.98Å; H843-H868 AromaticContact ND1-CE1 3.48Å; H843-H868 PolarHBondContact ND1-CE1 3.04Å; H843-H868 AromaticContact ND1-ND1 3.18Å; H843-H868 PolarHBondContact ND1-ND1 3.06Å; H843-H868 VanDerWaalsContact ND1-ND1 3.18Å; H843-H868 AromaticContact NE2-CE1 3.57Å; H843-H868 AromaticContact NE2-ND1 4Å
869	F	90.4	Very high	88.3	Confident	98 Å²	98	60.7 Å²	60.7	43%	0.43	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	133.5	173.6	174.4	-98.6	0	0	0	109.5	D838 Y840 R871 H872	D838-F869 HydrophobicContact CB-CD2 4.28Å; D838-F869 HydrophobicContact CB-CE2 3.86Å; Y840-F869 HydrophobicContact CD1-CB 4.18Å; Y840-F869 HydrophobicContact CE1-CB 4Å; Y840-F869 HydrophobicContact CE1-CD2 4.13Å; F869-R871 VanDerWaalsContact CZ-CA 3.48Å; F869-H872 HydrophobicContact CZ-CB 4.43Å
870	V	86.7	Confident	88	Confident	55 Å²	55	54.3 Å²	54.3	33%	0.333	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-61.5	178.9	-175.8	0	0	0	0	109.5	F839 S841	F839-V870 PolarHBondContact O-N 3.22Å; S841-V870 WeakPolarHBondContact OG-CG2 3.3Å
871	R	88.1	Confident	87.7	Confident	98 Å²	98	51.5 Å²	51.5	37%	0.37	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.9	162.4	178.5	56.5	-175.4	166.2	-175.2	-9.2	110.3	F839 F869 D873	F839-R871 WeakPolarHBondContact CB-O 3.46Å; F839-R871 HydrophobicContact CD2-CG 4.33Å; F839-R871 WeakPolarHBondContact CD2-O 3.15Å; F839-R871 PolarHBondContact N-O 3.47Å; F869-R871 VanDerWaalsContact CZ-CA 3.48Å; R871-D873 HydrophobicContact CG-CB 4.16Å; R871-D873 IonicContact NH1-OD2 3.68Å
872	H	89.5	Confident	87.3	Confident	53 Å²	53	53.7 Å²	53.7	25%	0.245	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	120.8	159.3	-167.1	95.9	0	0	0	110.1	L795 A796 T797 M836 H837 D838 F869	L795-H872 PolarHBondContact O-CD2 3.28Å; L795-H872 VanDerWaalsContact O-CD2 3.23Å; A796-H872 CarbonylContact C-O 3.58Å; A796-H872 VanDerWaalsContact CA-O 3.27Å; A796-H872 WeakPolarHBondContact CA-O 3.44Å; A796-H872 WeakPolarHBondContact CB-O 3.33Å; T797-H872 PolarHBondContact N-O 2.93Å; T797-H872 WeakPolarHBondContact OG1-CA 3.19Å; T797-H872 WeakPolarHBondContact OG1-CB 3.48Å; T797-H872 PolarHBondContact OG1-N 3.4Å; T797-H872 PolarHBondContact OG1-O 2.95Å; T797-H872 VanDerWaalsContact OG1-O 3.06Å; M836-H872 VanDerWaalsContact CG-CD2 3.49Å; M836-H872 WeakPolarHBondContact CG-CD2 3.31Å; M836-H872 WeakPolarHBondContact CG-NE2 3.44Å; H837-H872 WeakPolarHBondContact O-CA 3.2Å; D838-H872 PolarHBondContact N-ND1 2.78Å; D838-H872 IonicContact OD1-CE1 2.68Å; D838-H872 IonicContact OD1-CG 2.94Å; D838-H872 IonicContact OD1-ND1 3.57Å; D838-H872 PolarHBondContact OD1-ND1 3.46Å; F869-H872 HydrophobicContact CZ-CB 4.43Å
873	D	86.3	Confident	86.9	Confident	11 Å²	11	56.7 Å²	56.7	6%	0.059	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170	-161.9	-173.7	-148.7	-26	0	0	0	112.5	T773 A796 M836 H837 F839 R871 F875	T773-D873 WeakPolarHBondContact CB-OD1 3.14Å; T773-D873 PolarHBondContact OG1-OD1 2.83Å; T773-D873 PolarHBondContact OG1-OD2 2.97Å; A796-D873 HydrophobicContact CB-CB 4.48Å; M836-D873 WeakPolarHBondContact CA-O 3.45Å; M836-D873 WeakPolarHBondContact CG-O 3.27Å; H837-D873 PolarHBondContact N-O 3.07Å; H837-D873 VanDerWaalsContact N-O 3.1Å; H837-D873 PolarHBondContact O-N 3.46Å; F839-D873 HydrophobicContact CD2-CB 4.3Å; F839-D873 HydrophobicContact CE2-CB 3.81Å; F839-D873 VanDerWaalsContact CE2-N 3.3Å; F839-D873 WeakPolarHBondContact CE2-O 3.35Å; F839-D873 WeakPolarHBondContact CZ-O 3.38Å; R871-D873 HydrophobicContact CG-CB 4.16Å; R871-D873 IonicContact NH1-OD2 3.68Å; D873-F875 HydrophobicContact CB-CD2 4.37Å; D873-F875 HydrophobicContact CB-CE2 3.91Å
874	R	83.5	Confident	86.3	Confident	44 Å²	44	49.7 Å²	49.7	17%	0.166	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	100.1	174.5	-64.9	175.9	69.3	92.4	-5.9	113.8	E771 F834 M836	E771-R874 WeakPolarHBondContact OE1-CD 3.4Å; E771-R874 WeakPolarHBondContact OE1-CG 3.47Å; E771-R874 IonicContact OE1-CZ 2.71Å; E771-R874 IonicContact OE1-NE 3.87Å; E771-R874 IonicContact OE1-NH1 2.96Å; E771-R874 PolarHBondContact OE1-NH1 3.18Å; E771-R874 IonicContact OE2-NH1 3.8Å; E771-R874 PolarHBondContact OE2-NH1 2.79Å; F834-R874 HydrophobicContact CB-CB 4.39Å; M836-R874 HydrophobicContact CE-CG 4.34Å
875	F	78.8	Confident	85.4	Confident	63 Å²	63	54.9 Å²	54.9	28%	0.276	30%	0.298	S	S	.	.			trans	-142.9	162.6	165.4	-56.2	-86.1	0	0	0	110.4	F839 A852 D873	F839-F875 HydrophobicContact CD1-CB 3.96Å; F839-F875 HydrophobicContact CD1-CD2 4.2Å; F839-F875 AromaticContact CD2-CD2 3.5Å; F839-F875 HydrophobicContact CD2-CD2 3.5Å; F839-F875 HydrophobicContact CD2-CE2 4.15Å; F839-F875 HydrophobicContact CE1-CB 3.37Å; F839-F875 AromaticContact CE1-CD2 3.99Å; F839-F875 HydrophobicContact CE1-CD2 3.99Å; F839-F875 HydrophobicContact CE1-CG 4.17Å; F839-F875 HydrophobicContact CE2-CB 4.23Å; F839-F875 AromaticContact CE2-CD2 3.33Å; F839-F875 HydrophobicContact CE2-CD2 3.33Å; F839-F875 HydrophobicContact CE2-CE2 4.11Å; F839-F875 HydrophobicContact CE2-CG 4.24Å; F839-F875 AromaticContact CG-CD2 3.97Å; F839-F875 HydrophobicContact CG-CD2 3.97Å; F839-F875 HydrophobicContact CZ-CB 3.59Å; F839-F875 AromaticContact CZ-CD2 3.61Å; F839-F875 HydrophobicContact CZ-CD2 3.61Å; F839-F875 HydrophobicContact CZ-CG 4.08Å; A852-F875 HydrophobicContact CB-CB 3.84Å; A852-F875 HydrophobicContact CB-CG 4.22Å; D873-F875 HydrophobicContact CB-CD2 4.37Å; D873-F875 HydrophobicContact CB-CE2 3.91Å
876	F	83.1	Confident	84.5	Confident	73 Å²	73	53.4 Å²	53.4	32%	0.32	29%	0.294	S	S	.	.			trans	-85.8	161.8	164.9	58.9	-90.3	0	0	0	110	F826 F834 D878 A881	F826-F876 HydrophobicContact CD2-CB 4.23Å; F826-F876 HydrophobicContact CD2-CD2 4.35Å; F826-F876 HydrophobicContact CE2-CD2 4.38Å; F834-F876 HydrophobicContact CD1-CB 3.91Å; F834-F876 HydrophobicContact CD1-CD1 4.1Å; F834-F876 HydrophobicContact CE1-CB 4.06Å; F834-F876 AromaticContact CE1-CD1 3.67Å; F834-F876 HydrophobicContact CE1-CD1 3.67Å; F834-F876 HydrophobicContact CE1-CG 4.29Å; F834-F876 HydrophobicContact CZ-CD1 4.4Å; F876-D878 WeakPolarHBondContact CE2-OD1 3.21Å; F876-D878 PolarHBondContact O-N 2.95Å; F876-A881 HydrophobicContact CD2-CB 3.99Å; F876-A881 HydrophobicContact CE2-CB 3.94Å
877	C	88.2	Confident	84	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.309	C	S	.	.			trans	-83	108.7	175.2	179.6	0	0	0	0	110	F826 A852 C854 C879 G880 A881	F826-C877 HydrophobicContact CB-CB 4.15Å; A852-C877 CarbonylContact O-C 3.5Å; A852-C877 VanDerWaalsContact O-CA 3.3Å; A852-C877 WeakPolarHBondContact O-CA 3.36Å; C854-C877 HydrophobicContact CB-CB 3.95Å; C854-C877 PolarHBondContact N-SG 3.32Å; C877-C879 VanDerWaalsContact C-N 3.27Å; C877-C879 PolarHBondContact O-N 3.25Å; C877-G880 CarbonylContact O-C 3.59Å; C877-G880 WeakPolarHBondContact O-CA 3.32Å; C877-G880 PolarHBondContact O-N 3.18Å; C877-A881 PolarHBondContact O-N 2.99Å
878	D	86.8	Confident	83.8	Confident	16 Å²	16	57.8 Å²	57.8	9%	0.086	30%	0.303	C	S	.	.	H	α-helix	trans	-61.6	-32.4	179.9	-75.2	-78.6	0	0	0	113.4	S851 A852 F876 G880 A881 G882 A883 L884	S851-D878 VanDerWaalsContact CA-OD2 3.31Å; S851-D878 WeakPolarHBondContact CA-OD2 3.47Å; A852-D878 PolarHBondContact N-OD2 2.83Å; A852-D878 PolarHBondContact O-N 2.85Å; F876-D878 WeakPolarHBondContact CE2-OD1 3.21Å; F876-D878 PolarHBondContact O-N 2.95Å; D878-G880 VanDerWaalsContact C-N 3.29Å; D878-G880 PolarHBondContact O-N 3.48Å; D878-A881 PolarHBondContact O-N 3.18Å; D878-G882 PolarHBondContact O-N 3.16Å; D878-A883 HydrophobicContact CB-CB 4.22Å; D878-A883 PolarHBondContact O-N 3.24Å; D878-L884 HydrophobicContact CB-CD1 4.49Å; D878-L884 HydrophobicContact CB-CD2 4.39Å; D878-L884 HydrophobicContact CB-CG 4.24Å
879	C	88.1	Confident	83.6	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-57.8	-46.4	170.5	175.1	0	0	0	0	110.1	I853 C857 C877 G882 L884 C888	I853-C879 HydrophobicContact CG2-CB 4.31Å; C857-C879 HydrophobicContact CB-CB 4.02Å; C857-C879 VanDerWaalsContact SG-SG 3.67Å; C877-C879 VanDerWaalsContact C-N 3.27Å; C877-C879 PolarHBondContact O-N 3.25Å; C879-G882 PolarHBondContact O-N 3.34Å; C879-L884 HydrophobicContact CB-CD1 3.93Å; C879-C888 VanDerWaalsContact O-CB 3.32Å; C879-C888 WeakPolarHBondContact O-CB 3.49Å
880	G	85.2	Confident	83.4	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-65.5	-41.4	175.1	0	0	0	0	0	112.4	C877 D878 G882 Q891	C877-G880 CarbonylContact O-C 3.59Å; C877-G880 WeakPolarHBondContact O-CA 3.32Å; C877-G880 PolarHBondContact O-N 3.18Å; D878-G880 VanDerWaalsContact C-N 3.29Å; D878-G880 PolarHBondContact O-N 3.48Å; G880-G882 PolarHBondContact O-N 2.96Å; G880-Q891 VanDerWaalsContact C-NE2 3.3Å; G880-Q891 PolarHBondContact O-NE2 2.76Å; G880-Q891 PolarHBondContact O-OE1 2.98Å; G880-Q891 VanDerWaalsContact O-OE1 3.06Å
881	A	83.8	Confident	82.9	Confident	44 Å²	44	55.8 Å²	55.8	36%	0.364	29%	0.292	S	S	.	.	H	α-helix	trans	-63	-10.6	178.2	0	0	0	0	0	114	F826 F876 C877 D878 A883	F826-A881 HydrophobicContact CD2-CB 3.91Å; F826-A881 VanDerWaalsContact CE2-CA 3.5Å; F826-A881 HydrophobicContact CE2-CB 3.47Å; F826-A881 VanDerWaalsContact CE2-CB 3.47Å; F826-A881 HydrophobicContact CZ-CB 4.2Å; F876-A881 HydrophobicContact CD2-CB 3.99Å; F876-A881 HydrophobicContact CE2-CB 3.94Å; C877-A881 PolarHBondContact O-N 2.99Å; D878-A881 PolarHBondContact O-N 3.18Å; A881-A883 VanDerWaalsContact C-N 3.26Å; A881-A883 HydrophobicContact CB-CB 4.48Å
882	G	83.2	Confident	81.8	Confident	58 Å²	58	56.9 Å²	56.9	60%	0.598	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	16	-174.9	0	0	0	0	0	113.1	D878 C879 G880 L884	D878-G882 PolarHBondContact O-N 3.16Å; C879-G882 PolarHBondContact O-N 3.34Å; G880-G882 PolarHBondContact O-N 2.96Å; G882-L884 VanDerWaalsContact C-N 3.27Å; G882-L884 PolarHBondContact O-N 3.06Å
883	A	79.7	Confident	80.3	Confident	66 Å²	66	58.1 Å²	58.1	55%	0.545	33%	0.328	S	S	.	.			trans	-82.2	-3.5	-178.3	0	0	0	0	0	113.5	D878 A881	D878-A883 HydrophobicContact CB-CB 4.22Å; D878-A883 PolarHBondContact O-N 3.24Å; A881-A883 VanDerWaalsContact C-N 3.26Å; A881-A883 HydrophobicContact CB-CB 4.48Å
884	L	79.8	Confident	78.7	Confident	23 Å²	23	63.7 Å²	63.7	12%	0.12	36%	0.362	C	S	.	.	S	Bend	trans	-113.2	151.1	179.1	-55.1	-177	0	0	0	110.1	T847 I853 D878 C879 G882 S886	T847-L884 HydrophobicContact CG2-CD1 4.01Å; T847-L884 HydrophobicContact CG2-CD2 3.78Å; I853-L884 HydrophobicContact CD1-CD1 3.89Å; I853-L884 HydrophobicContact CG1-CD1 3.8Å; D878-L884 HydrophobicContact CB-CD1 4.49Å; D878-L884 HydrophobicContact CB-CD2 4.39Å; D878-L884 HydrophobicContact CB-CG 4.24Å; C879-L884 HydrophobicContact CB-CD1 3.93Å; G882-L884 VanDerWaalsContact C-N 3.27Å; G882-L884 PolarHBondContact O-N 3.06Å; L884-S886 PolarHBondContact O-N 3.33Å; L884-S886 VanDerWaalsContact O-N 3.14Å
885	E	71.3	Confident	77.2	Confident	191 Å²	191	66.5 Å²	66.5	89%	0.893	38%	0.377	S	S	*	.	S	Bend	trans	-57.1	-31	177.4	-66.7	-174.8	162.8	0	0	112.9	K887	E885-K887 PolarHBondContact O-N 2.69Å
886	S	71.3	Confident	75.3	Confident	26 Å²	26	70.3 Å²	70.3	18%	0.182	40%	0.4	C	S	.	.	S	Bend	trans	-79.2	113.8	177.1	32.6	0	0	0	0	111.1	H862 L884 C888	H862-S886 PolarHBondContact CE1-OG 2.88Å; L884-S886 PolarHBondContact O-N 3.33Å; L884-S886 VanDerWaalsContact O-N 3.14Å; S886-C888 PolarHBondContact O-N 3.09Å
887	K	80.5	Confident	73.3	Confident	191 Å²	191	70.3 Å²	70.3	83%	0.83	40%	0.403	S	S	*	.			trans	-62.2	130.2	175.4	-70.1	-174.3	179.2	-178.7	0	111.4	E885 Q889	E885-K887 PolarHBondContact O-N 2.69Å; K887-Q889 PolarHBondContact O-N 3.3Å
888	C	85.3	Confident	70.4	Confident	23 Å²	23	77.2 Å²	77.2	16%	0.155	44%	0.441	C	S	.	.			trans	-65.7	115.2	178.1	-168.1	0	0	0	0	112	C857 C879 S886 L890 Q891	C857-C888 VanDerWaalsContact SG-SG 3.64Å; C879-C888 VanDerWaalsContact O-CB 3.32Å; C879-C888 WeakPolarHBondContact O-CB 3.49Å; S886-C888 PolarHBondContact O-N 3.09Å; C888-L890 PolarHBondContact O-N 3.42Å; C888-Q891 HydrophobicContact CB-CB 4.45Å; C888-Q891 HydrophobicContact CB-CG 4.29Å
889	Q	86.9	Confident	67.8	Low	122 Å²	122	82 Å²	82	57%	0.57	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	8	175.6	-56.5	-179.5	5.8	0	0	114	K860 C861 K887	K860-Q889 HydrophobicContact CD-CB 4.23Å; K860-Q889 HydrophobicContact CG-CB 4.47Å; K860-Q889 PolarHBondContact NZ-O 3.21Å; C861-Q889 PolarHBondContact SG-N 3.06Å; K887-Q889 PolarHBondContact O-N 3.3Å
890	L	85.1	Confident	65	Low	21 Å²	21	88.6 Å²	88.6	11%	0.11	51%	0.511	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-9	-175.2	-71.5	-179.4	0	0	0	113.2	G822 C824 Q827 N856 K860 C888	G822-L890 WeakPolarHBondContact O-CD2 3.46Å; C824-L890 HydrophobicContact CB-CB 3.62Å; C824-L890 HydrophobicContact CB-CD1 4.37Å; Q827-L890 PolarHBondContact NE2-O 3.1Å; N856-L890 VanDerWaalsContact C-CD1 3.42Å; N856-L890 HydrophobicContact CB-CD1 3.69Å; N856-L890 WeakPolarHBondContact O-CD1 3.45Å; K860-L890 HydrophobicContact CB-CD1 4.21Å; K860-L890 HydrophobicContact CB-CD2 4.4Å; K860-L890 HydrophobicContact CB-CG 4.24Å; K860-L890 HydrophobicContact CD-CD2 3.25Å; K860-L890 HydrophobicContact CD-CG 3.75Å; K860-L890 HydrophobicContact CG-CD2 4.43Å; C888-L890 PolarHBondContact O-N 3.42Å
891	Q	76.1	Confident	62.2	Low	48 Å²	48	96.5 Å²	96.5	22%	0.224	54%	0.541	C	S	.	.			trans	-84.1	131.3	170.4	-80.4	-159	-21	0	0	110.9	F826 G880 C888	F826-Q891 VanDerWaalsContact CE1-NE2 3.26Å; G880-Q891 VanDerWaalsContact C-NE2 3.3Å; G880-Q891 PolarHBondContact O-NE2 2.76Å; G880-Q891 PolarHBondContact O-OE1 2.98Å; G880-Q891 VanDerWaalsContact O-OE1 3.06Å; C888-Q891 HydrophobicContact CB-CB 4.45Å; C888-Q891 HydrophobicContact CB-CG 4.29Å
892	C	64.7	Low	59.4	Low	121 Å²	121	100.7 Å²	100.7	82%	0.818	56%	0.558	S	S	*	*	S	Bend	trans	-100.1	-3.3	175.8	-63.3	0	0	0	0	113.2
893	S	59	Low	56.9	Low	79 Å²	79	101.9 Å²	101.9	55%	0.552	56%	0.556	S	S	*	*	S	Bend	trans	-167.2	136.7	178.1	56.3	0	0	0	0	110.9	Q895	S893-Q895 PolarHBondContact O-N 3.21Å
894	T	52.6	Low	54.3	Low	127 Å²	127	101.4 Å²	101.4	78%	0.779	55%	0.553	S	S	*	*			trans	-68.8	116.6	166.5	41.2	0	0	0	0	108.9
895	Q	51.8	Low	51.8	Low	103 Å²	103	104 Å²	104	48%	0.481	58%	0.577	S	S	.	*			trans	-90.5	119.3	167.9	-85.3	-179.3	-17.4	0	0	108.6	S893 N897	S893-Q895 PolarHBondContact O-N 3.21Å; Q895-N897 PolarHBondContact O-N 3.21Å; Q895-N897 VanDerWaalsContact O-N 3.12Å
896	D	38.6	Very low	49.8	Very low	144 Å²	144	97.5 Å²	97.5	77%	0.77	55%	0.552	S	S	*	*			trans	-69.5	100.6	166.9	-74	-25.8	0	0	0	108.7	D898	D896-D898 VanDerWaalsContact C-N 3.3Å; D896-D898 PolarHBondContact O-N 3.21Å
897	N	41.4	Very low	47.8	Very low	72 Å²	72	100.7 Å²	100.7	39%	0.385	57%	0.57	S	S	.	*			trans	-96	57.3	168.8	-77.4	-37.8	0	0	0	109.6	C831 Q895 T899	C831-N897 HydrophobicContact CB-CB 4.32Å; Q895-N897 PolarHBondContact O-N 3.21Å; Q895-N897 VanDerWaalsContact O-N 3.12Å; N897-T899 PolarHBondContact O-N 3.45Å
898	D	28.2	Very low	45.4	Very low	146 Å²	146	100.1 Å²	100.1	78%	0.781	57%	0.57	S	S	*	*			trans	-79.5	91.4	168.6	-83.5	-18.8	0	0	0	109.2	D896	D896-D898 VanDerWaalsContact C-N 3.3Å; D896-D898 PolarHBondContact O-N 3.21Å
899	T	31.5	Very low	42.9	Very low	115 Å²	115	101.3 Å²	101.3	71%	0.706	58%	0.577	S	S	*	*	S	Bend	trans	-164	103.8	150.9	14.5	0	0	0	0	109	N897 Y901	N897-T899 PolarHBondContact O-N 3.45Å; T899-Y901 PolarHBondContact O-N 3.34Å
900	V	28.4	Very low	40.1	Very low	140 Å²	140	102.3 Å²	102.3	85%	0.848	59%	0.585	S	S	*	*			trans	-28.3	116.3	175.3	-178.7	0	0	0	0	114	D902	V900-D902 VanDerWaalsContact C-N 3.28Å; V900-D902 HydrophobicContact CG1-CB 4.41Å; V900-D902 PolarHBondContact O-N 3.24Å
901	Y	27	Very low	37.5	Very low	167 Å²	167	104.3 Å²	104.3	66%	0.655	60%	0.598	S	S	*	*			trans	-74.9	81.4	163.6	-156.3	-103.9	0	0	0	108.1	T899 S903	T899-Y901 PolarHBondContact O-N 3.34Å; Y901-S903 VanDerWaalsContact C-N 3.26Å; Y901-S903 WeakPolarHBondContact CD1-OG 3.41Å; Y901-S903 WeakPolarHBondContact CE1-OG 3.48Å; Y901-S903 PolarHBondContact O-N 3.49Å; Y901-S903 VanDerWaalsContact O-N 3.13Å
902	D	26	Very low	35.2	Very low	132 Å²	132	109.3 Å²	109.3	71%	0.706	63%	0.625	S	S	*	*			trans	-80.3	88.5	161.8	-151.3	1.2	0	0	0	106.3	V900 A904	V900-D902 VanDerWaalsContact C-N 3.28Å; V900-D902 HydrophobicContact CG1-CB 4.41Å; V900-D902 PolarHBondContact O-N 3.24Å; D902-A904 PolarHBondContact O-N 3.3Å
903	S	29.3	Very low	33.3	Very low	82 Å²	82	108.9 Å²	108.9	57%	0.573	62%	0.624	S	S	*	*			trans	-64.4	63.2	155.2	-72.7	0	0	0	0	108.5	Y901 A905	Y901-S903 VanDerWaalsContact C-N 3.26Å; Y901-S903 WeakPolarHBondContact CD1-OG 3.41Å; Y901-S903 WeakPolarHBondContact CE1-OG 3.48Å; Y901-S903 PolarHBondContact O-N 3.49Å; Y901-S903 VanDerWaalsContact O-N 3.13Å; S903-A905 PolarHBondContact O-N 3.19Å
904	A	26	Very low	31.8	Very low	57 Å²	57	108.8 Å²	108.8	47%	0.471	63%	0.628	S	S	.	*			trans	-64	96.5	157.1	0	0	0	0	0	104.6	D902	D902-A904 PolarHBondContact O-N 3.3Å
905	A	25.9	Very low	30.7	Very low	76 Å²	76	112.6 Å²	112.6	63%	0.628	65%	0.651	S	S	*	*			trans	-36.1	131.4	149.4	0	0	0	0	0	106.4	S903 T907	S903-A905 PolarHBondContact O-N 3.19Å; A905-T907 WeakPolarHBondContact O-CA 3.37Å; A905-T907 PolarHBondContact O-N 3.41Å
906	P	31.3	Very low	29.7	Very low	55 Å²	55	113.1 Å²	113.1	36%	0.357	66%	0.659	S	S	.	*			trans	-46.6	113.8	180	-28.9	36.3	0	0	0	106.8	L679 K704 E908	L679-P906 HydrophobicContact CD2-CB 4.46Å; K704-P906 VanDerWaalsContact NZ-CG 3.29Å; P906-E908 PolarHBondContact O-N 3.14Å
907	T	28.1	Very low	29.2	Very low	93 Å²	93	111.5 Å²	111.5	57%	0.571	65%	0.653	S	S	*	*			trans	-48.3	123.9	-169.3	-26.3	0	0	0	0	105.7	A905 T909	A905-T907 WeakPolarHBondContact O-CA 3.37Å; A905-T907 PolarHBondContact O-N 3.41Å; T907-T909 PolarHBondContact O-N 2.85Å
908	E	29.2	Very low	28.5	Very low	179 Å²	179	113.7 Å²	113.7	84%	0.836	67%	0.668	S	S	*	*			trans	-48.1	112.6	176.6	-76.3	-167.8	160.8	0	0	106	P906 I910	P906-E908 PolarHBondContact O-N 3.14Å; E908-I910 PolarHBondContact O-N 3.41Å
909	T	34.5	Very low	28.5	Very low	48 Å²	48	111.8 Å²	111.8	29%	0.294	66%	0.662	S	S	.	*			trans	-67.2	96.9	-178.3	-32.5	0	0	0	0	103.6	T907 T911	T907-T909 PolarHBondContact O-N 2.85Å; T909-T911 PolarHBondContact O-N 3.19Å
910	I	27.9	Very low	28.3	Very low	143 Å²	143	111.6 Å²	111.6	73%	0.733	66%	0.659	S	S	*	*			trans	-57.3	99.3	169.2	-63	173.9	0	0	0	104	E908 L912	E908-I910 PolarHBondContact O-N 3.41Å; I910-L912 PolarHBondContact O-N 3.05Å
911	T	30.2	Very low	28.3	Very low	63 Å²	63	109.7 Å²	109.7	39%	0.387	65%	0.646	S	S	.	*			trans	-59.7	98.4	162.2	33	0	0	0	0	105.2	Y635 R658 T909 S913	Y635-T911 HydrophobicContact CE1-CG2 4.21Å; R658-T911 VanDerWaalsContact NH2-CG2 3.27Å; T909-T911 PolarHBondContact O-N 3.19Å; T911-S913 PolarHBondContact O-N 2.92Å
912	L	26.8	Very low	28.4	Very low	153 Å²	153	105.6 Å²	105.6	80%	0.801	65%	0.646	S	S	*	*			trans	-65.7	82.5	159.2	-83	162.2	0	0	0	106.8	I910 A914	I910-L912 PolarHBondContact O-N 3.05Å; L912-A914 PolarHBondContact O-N 3.04Å; L912-A914 VanDerWaalsContact O-N 3.12Å
913	S	24.5	Very low	28.6	Very low	112 Å²	112	103.5 Å²	103.5	78%	0.783	64%	0.641	S	S	*	*			trans	-73.4	76.7	156.6	55.3	0	0	0	0	107.5	T911	T911-S913 PolarHBondContact O-N 2.92Å
914	A	27.7	Very low	28.6	Very low	77 Å²	77	105.3 Å²	105.3	64%	0.636	65%	0.647	S	S	*	*			trans	-176.3	92.3	164.6	0	0	0	0	0	110.5	L912	L912-A914 PolarHBondContact O-N 3.04Å; L912-A914 VanDerWaalsContact O-N 3.12Å
915	V	30.6	Very low	28.8	Very low	208 Å²	208	109.7 Å²	109.7	100%	1.261	66%	0.663	S	S	*	*				163.8	0	117.9	171.5	0	0	0	0	108

Retrieved 915 of 915 residues in 2172.1 ms (Link to these results)

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