A0A087YA36_POEFO Loading...

Embryonic ectoderm development

AlphaFold DB (A0A3Q2QTH1), UniProt , Accession A0A087YA36, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 443 aa.

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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	39.3	Very low	34.8	Very low	233 Å²	233	156.1 Å²	156.1	100%	1.148	80%	0.804	S	S	*	*				0	114.1	0	-65.3	141.7	-177.4	0	0	105.3
2	R	32.5	Very low	34.3	Very low	212 Å²	212	151.6 Å²	151.6	80%	0.8	80%	0.796	S	S	*	*				64.8	129.7	67.4	-65	-158.9	143	162.9	4.4	111.8
3	E	33.2	Very low	34	Very low	137 Å²	137	155.3 Å²	155.3	64%	0.64	81%	0.807	S	S	*	*			cis	-171	153.9	-11.7	-103	134.9	-165.7	0	0	104.4
4	N	32.6	Very low	33.7	Very low	133 Å²	133	151.2 Å²	151.2	71%	0.711	81%	0.807	S	S	*	*			cis	-141.5	-165	1.5	-114.4	-34.7	0	0	0	107.9
5	K	39.2	Very low	33.2	Very low	190 Å²	190	146.1 Å²	146.1	83%	0.826	80%	0.804	S	S	*	*			cis	61.2	142.3	40.4	-62.1	-176.2	173.3	-175.6	0	115.2
6	S	33.6	Very low	33.1	Very low	108 Å²	108	149.1 Å²	149.1	76%	0.755	81%	0.807	S	S	*	*			cis	-139.3	163.5	2.9	53.4	0	0	0	0	110
7	M	35.6	Very low	32.7	Very low	178 Å²	178	150.3 Å²	150.3	88%	0.877	81%	0.806	S	S	*	*			cis	78.1	110.7	38.9	-129.6	-177.6	-166.4	0	0	115
8	T	30.2	Very low	32.5	Very low	128 Å²	128	150.9 Å²	150.9	79%	0.785	81%	0.805	S	S	*	*			trans	174.1	150.8	155.2	31.6	0	0	0	0	108.2
9	E	30.7	Very low	32.4	Very low	187 Å²	187	149.7 Å²	149.7	87%	0.874	81%	0.806	S	S	*	*			cis	-159.9	-177.6	-31.2	-129.1	166.8	-165.9	0	0	109.3
10	S	30.2	Very low	32.2	Very low	106 Å²	106	146.1 Å²	146.1	74%	0.741	80%	0.798	S	S	*	*			trans	-123.4	-160.2	-176.3	64.6	0	0	0	0	110.5
11	P	46.2	Very low	32.1	Very low	105 Å²	105	149.2 Å²	149.2	68%	0.682	80%	0.804	S	S	*	*			cis	-137.4	-178.1	-11.9	37.2	-16.2	0	0	0	115.9
12	S	28.6	Very low	31.5	Very low	102 Å²	102	147.8 Å²	147.8	71%	0.713	79%	0.791	S	S	*	*			trans	43.8	135.1	143.4	67.5	0	0	0	0	123.5
13	Q	30.2	Very low	31.3	Very low	200 Å²	200	147.2 Å²	147.2	94%	0.935	80%	0.798	S	S	*	*				-164.4	175.2	111.3	-109.6	-176.3	18.3	0	0	112.3
14	A	30.1	Very low	30.9	Very low	98 Å²	98	149.2 Å²	149.2	81%	0.81	80%	0.804	S	S	*	*			trans	-126.2	145.7	-164.6	0	0	0	0	0	114.6
15	G	26.7	Very low	30.5	Very low	74 Å²	74	149.9 Å²	149.9	76%	0.763	81%	0.807	S	S	*	*			trans	67.5	122	144.3	0	0	0	0	0	120
16	K	30.2	Very low	29.9	Very low	195 Å²	195	146.3 Å²	146.3	85%	0.848	81%	0.806	S	S	*	*			trans	-156.3	157.3	137.1	-119.7	166.3	-175.4	176.5	0	115
17	E	27.1	Very low	29.4	Very low	169 Å²	169	145.2 Å²	145.2	79%	0.79	80%	0.798	S	S	*	*			trans	-57.6	164.7	-163.8	-65.7	145.3	111.9	0	0	118.1
18	M	28.3	Very low	29	Very low	161 Å²	161	143.1 Å²	143.1	79%	0.793	79%	0.791	S	S	*	*			trans	-62.4	167.7	165.8	-65.3	164.2	50.8	0	0	112.3	A20	M18-A20 HydrophobicContact CE-CB 3.87Å
19	P	31.8	Very low	28.8	Very low	128 Å²	128	145.4 Å²	145.4	83%	0.831	79%	0.793	S	S	*	*				-130.5	140.8	111.4	36.2	-31	0	0	0	113.6
20	A	28.5	Very low	28.7	Very low	77 Å²	77	143.9 Å²	143.9	64%	0.636	79%	0.79	S	S	*	*			trans	-81.6	144.4	172.1	0	0	0	0	0	111.9	M18	M18-A20 HydrophobicContact CE-CB 3.87Å
21	K	29.2	Very low	28.6	Very low	213 Å²	213	143.4 Å²	143.4	93%	0.926	79%	0.787	S	S	*	*			trans	-132.2	140.5	157.5	-102.2	-178.8	177.9	176.6	0	110.6
22	K	26.8	Very low	27.8	Very low	203 Å²	203	145.6 Å²	145.6	88%	0.883	79%	0.793	S	S	*	*			trans	-88.7	142.3	-170.7	-59.6	170.3	179.2	175.9	0	111.1
23	Q	28.1	Very low	27.9	Very low	200 Å²	200	145.7 Å²	145.7	94%	0.935	79%	0.791	S	S	*	*			trans	-124.3	167.1	141.5	-102.2	177.4	-24.3	0	0	109
24	K	25.7	Very low	27.8	Very low	179 Å²	179	143.1 Å²	143.1	78%	0.778	78%	0.784	S	S	*	*			trans	-150	128.2	-142.7	-165.9	-160.8	-179.2	-160.6	0	111.9
25	L	23.6	Very low	27.6	Very low	147 Å²	147	146.9 Å²	146.9	77%	0.77	79%	0.787	S	S	*	*			trans	67.2	158.3	167.3	-68.2	158.6	0	0	0	114.8
26	S	25.8	Very low	27.8	Very low	114 Å²	114	149 Å²	149	80%	0.797	79%	0.79	S	S	*	*			cis	-115.6	172.6	17.3	58.6	0	0	0	0	116.3
27	S	25.1	Very low	27.7	Very low	85 Å²	85	142.8 Å²	142.8	59%	0.594	78%	0.782	S	S	*	*			trans	-86.7	179.1	169.4	49.5	0	0	0	0	112.3
28	D	26.8	Very low	27.9	Very low	135 Å²	135	142.6 Å²	142.6	72%	0.722	79%	0.786	S	S	*	*			trans	144	91.9	137.3	-68.4	0.7	0	0	0	107.3
29	E	26.3	Very low	27.9	Very low	176 Å²	176	143.8 Å²	143.8	82%	0.822	79%	0.79	S	S	*	*				84.6	145.3	84.6	-81.5	-157.6	162.7	0	0	114.8
30	N	27.3	Very low	27.8	Very low	154 Å²	154	144.8 Å²	144.8	82%	0.824	79%	0.788	S	S	*	*			trans	71.2	139.7	-173.2	-61	-31.4	0	0	0	117.8
31	S	28.4	Very low	27.9	Very low	96 Å²	96	149 Å²	149	67%	0.671	80%	0.8	S	S	*	*			cis	-179.4	131.6	-26.3	44.4	0	0	0	0	107.2
32	N	29.3	Very low	28	Very low	151 Å²	151	145.6 Å²	145.6	81%	0.807	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-68.3	142	168.5	-76.2	4.9	0	0	0	110.6
33	P	30.9	Very low	28.2	Very low	105 Å²	105	140.6 Å²	140.6	68%	0.682	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-96.5	117.2	144.9	32.1	-22.9	0	0	0	109.4
34	D	27.1	Very low	28.2	Very low	145 Å²	145	137.5 Å²	137.5	78%	0.775	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-65.2	142.7	157.2	-71.8	-59.8	0	0	0	108.9
35	M	27.5	Very low	28.4	Very low	178 Å²	178	134.1 Å²	134.1	88%	0.877	78%	0.781	S	S	*	*			trans	-123.9	69.6	174.1	-80.1	-69.7	-173.3	0	0	109.8
36	S	30.8	Very low	28.7	Very low	117 Å²	117	133.2 Å²	133.2	82%	0.818	78%	0.782	S	S	*	*			trans	-82.6	103.4	158.4	54.3	0	0	0	0	108.5
37	G	26.7	Very low	28.9	Very low	66 Å²	66	136.8 Å²	136.8	68%	0.68	79%	0.786	S	S	*	*			trans	-113.7	115.3	172.6	0	0	0	0	0	110.5
38	D	31.2	Very low	29.3	Very low	165 Å²	165	138.2 Å²	138.2	88%	0.882	80%	0.796	S	S	*	*			trans	-81.3	113.7	163.9	-68.4	-51.3	0	0	0	108.3	N40	D38-N40 PolarHBondContact O-N 3.37Å
39	E	29.9	Very low	29.3	Very low	186 Å²	186	135.7 Å²	135.7	87%	0.869	80%	0.802	S	S	*	*			trans	-92.5	73.9	176.5	-71	-173.8	159.8	0	0	111.2	D41	E39-D41 PolarHBondContact O-N 3.5Å
40	N	29.8	Very low	29.5	Very low	149 Å²	149	133.6 Å²	133.6	80%	0.797	80%	0.801	S	S	*	*			trans	-83.8	89.7	160	-92.5	-16.7	0	0	0	109.2	D38 D42	D38-N40 PolarHBondContact O-N 3.37Å; N40-D42 VanDerWaalsContact C-N 3.32Å; N40-D42 PolarHBondContact O-N 3.33Å
41	D	30.5	Very low	29.6	Very low	166 Å²	166	134 Å²	134	89%	0.888	80%	0.803	S	S	*	*			trans	-78.4	79.2	174.1	-101.7	-0.8	0	0	0	111.4	E39	E39-D41 PolarHBondContact O-N 3.5Å
42	D	29.4	Very low	29.7	Very low	140 Å²	140	134.4 Å²	134.4	75%	0.749	81%	0.812	S	S	*	*			trans	-66	142.4	164.4	-102	-45.1	0	0	0	110.8	N40 V44	N40-D42 VanDerWaalsContact C-N 3.32Å; N40-D42 PolarHBondContact O-N 3.33Å; D42-V44 PolarHBondContact O-N 3.02Å
43	A	32.9	Very low	29.8	Very low	99 Å²	99	136.5 Å²	136.5	82%	0.818	82%	0.817	S	S	*	*			trans	-69.8	98.9	-170.5	0	0	0	0	0	113.4	S45	A43-S45 PolarHBondContact O-N 2.97Å
44	V	28.2	Very low	30	Very low	134 Å²	134	142.1 Å²	142.1	81%	0.812	83%	0.825	S	S	*	*			trans	-72.7	96.1	176.6	-175.3	0	0	0	0	111.4	D42 V46	D42-V44 PolarHBondContact O-N 3.02Å; V44-V46 PolarHBondContact O-N 3.28Å
45	S	28.2	Very low	30.2	Very low	108 Å²	108	141.1 Å²	141.1	76%	0.755	83%	0.826	S	S	*	*			trans	-71.9	112.3	171.5	56.6	0	0	0	0	111.5	A43 E47	A43-S45 PolarHBondContact O-N 2.97Å; S45-E47 PolarHBondContact O-N 3.41Å
46	V	30.7	Very low	30.5	Very low	128 Å²	128	139.4 Å²	139.4	78%	0.776	82%	0.821	S	S	*	*			trans	-82.5	106.2	173	-177.8	0	0	0	0	109.9	V44 S48	V44-V46 PolarHBondContact O-N 3.28Å; V46-S48 PolarHBondContact O-N 3Å
47	E	29.6	Very low	30.5	Very low	190 Å²	190	140.2 Å²	140.2	89%	0.888	82%	0.821	S	S	*	*			trans	-63.3	132.8	169	-66.9	-167.2	136.2	0	0	110.6	S45	S45-E47 PolarHBondContact O-N 3.41Å
48	S	34.2	Very low	30.8	Very low	115 Å²	115	142.7 Å²	142.7	80%	0.804	83%	0.825	S	S	*	*			trans	-121.3	128.1	170.5	44.1	0	0	0	0	110.1	V46	V46-S48 PolarHBondContact O-N 3Å
49	G	27.2	Very low	30.9	Very low	82 Å²	82	141.3 Å²	141.3	85%	0.845	82%	0.823	S	S	*	*			trans	-70	160.7	-168	0	0	0	0	0	115.1
50	T	30.2	Very low	31	Very low	131 Å²	131	140.2 Å²	140.2	80%	0.804	82%	0.823	S	S	*	*			trans	-71.5	140.2	-174.3	51.3	0	0	0	0	114.7
51	N	29.7	Very low	31.1	Very low	163 Å²	163	140 Å²	140	87%	0.872	83%	0.827	S	S	*	*			trans	53.8	104.9	151	-65.6	-9.6	0	0	0	119.4
52	A	28.7	Very low	31.1	Very low	104 Å²	104	136.4 Å²	136.4	86%	0.86	82%	0.82	S	S	*	*			trans	-133.7	153.7	142.3	0	0	0	0	0	109.1
53	E	31.6	Very low	31.3	Very low	196 Å²	196	137.7 Å²	137.7	92%	0.916	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-83.4	157.5	-164.9	-62.5	-178.1	129.6	0	0	114.6
54	R	35.8	Very low	31.3	Very low	223 Å²	223	137.7 Å²	137.7	84%	0.842	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-85.4	146.9	177.5	-60.8	177.8	-179.3	177.6	-0.9	112.1
55	P	32.4	Very low	31.5	Very low	123 Å²	123	138 Å²	138	80%	0.799	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-100.6	122.9	149.8	32.1	-22.9	0	0	0	110.9
56	D	32.8	Very low	31.9	Very low	143 Å²	143	136.4 Å²	136.4	77%	0.765	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-76.4	140.6	170.3	-71.5	-44.5	0	0	0	111.3
57	T	31.2	Very low	32.1	Very low	133 Å²	133	142.4 Å²	142.4	82%	0.816	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-77.9	126.4	178.8	-44	0	0	0	0	111.3
58	P	33.1	Very low	32.2	Very low	119 Å²	119	143 Å²	143	77%	0.773	84%	0.841	S	S	*	*			trans	-89.9	115.5	-166.2	32.7	-35.5	0	0	0	114.7
59	T	32.8	Very low	32	Very low	135 Å²	135	143.3 Å²	143.3	83%	0.828	84%	0.843	S	S	*	*			trans	-134.8	84.1	161.4	49.3	0	0	0	0	111.5
60	N	31.5	Very low	32.2	Very low	164 Å²	164	150.8 Å²	150.8	88%	0.877	85%	0.846	S	S	*	*			trans	-149.7	78.4	171.3	-114.1	-35.3	0	0	0	111.6	A62	N60-A62 PolarHBondContact O-N 3.47Å
61	T	31.6	Very low	32.2	Very low	145 Å²	145	148 Å²	148	89%	0.89	84%	0.842	S	S	*	*			trans	-76.7	88.2	172.8	48.6	0	0	0	0	110.6	N63	T61-N63 PolarHBondContact O-N 3.16Å; T61-N63 VanDerWaalsContact O-N 3.1Å
62	A	32.2	Very low	32.7	Very low	89 Å²	89	150.4 Å²	150.4	74%	0.736	85%	0.845	S	S	*	*			trans	-75.6	93.6	177.7	0	0	0	0	0	111.8	N60	N60-A62 PolarHBondContact O-N 3.47Å
63	N	33.5	Very low	32.9	Very low	168 Å²	168	148.6 Å²	148.6	90%	0.898	84%	0.837	S	S	*	*			trans	-173.2	99.1	148.5	-98.1	-32.9	0	0	0	112	T61	T61-N63 PolarHBondContact O-N 3.16Å; T61-N63 VanDerWaalsContact O-N 3.1Å
64	A	32.3	Very low	33.1	Very low	98 Å²	98	149 Å²	149	81%	0.81	84%	0.836	S	S	*	*			trans	-148.7	107.8	168.7	0	0	0	0	0	110.1
65	P	32.5	Very low	33	Very low	141 Å²	141	150.4 Å²	150.4	92%	0.916	84%	0.841	S	S	*	*			trans	-80	123.3	-176.4	30.3	-33	0	0	0	111.8
66	G	36.5	Very low	33.3	Very low	75 Å²	75	153.6 Å²	153.6	77%	0.773	84%	0.843	S	S	*	*			trans	119.6	80.6	161	0	0	0	0	0	116.9
67	R	34.1	Very low	34	Very low	254 Å²	254	151.9 Å²	151.9	96%	0.958	84%	0.842	S	S	*	*			trans	-124	120.8	148.5	-79.4	-170.7	170.5	-175.9	-2.4	109.6
68	K	31.6	Very low	35.2	Very low	202 Å²	202	153.7 Å²	153.7	88%	0.878	84%	0.838	S	S	*	*			trans	-70.2	136.7	179.3	-66.6	177.5	179	176.9	0	109.5	W70	K68-W70 PolarHBondContact O-N 3.18Å; K68-W70 VanDerWaalsContact O-N 3.11Å
69	S	30.2	Very low	36.6	Very low	121 Å²	121	157.1 Å²	157.1	85%	0.846	84%	0.841	S	S	*	*			trans	-61.6	110.4	175.9	178.8	0	0	0	0	110.8
70	W	32.1	Very low	38.6	Very low	240 Å²	240	151.4 Å²	151.4	91%	0.909	81%	0.807	S	S	*	*			trans	-89.9	145.5	162.4	-99	50.3	0	0	0	109.9	K68	K68-W70 PolarHBondContact O-N 3.18Å; K68-W70 VanDerWaalsContact O-N 3.11Å
71	G	30.4	Very low	41	Very low	71 Å²	71	151.2 Å²	151.2	73%	0.732	79%	0.794	S	S	*	*			trans	-62.4	147.9	-165.4	0	0	0	0	0	114.4	G73	G71-G73 PolarHBondContact O-N 3.05Å
72	K	39.4	Very low	43.8	Very low	214 Å²	214	145.4 Å²	145.4	93%	0.93	76%	0.755	S	S	*	*			trans	-69.5	71.2	174	-70.6	-176.7	176.5	179	0	111.8	K74	K72-K74 PolarHBondContact O-N 3.21Å
73	G	32.6	Very low	46.6	Very low	67 Å²	67	143.6 Å²	143.6	69%	0.691	74%	0.737	S	S	*	*			trans	-58.3	122	164.4	0	0	0	0	0	109.4	G71 W75	G71-G73 PolarHBondContact O-N 3.05Å; G73-W75 VanDerWaalsContact C-N 3.27Å; G73-W75 PolarHBondContact O-N 3.09Å
74	K	35.8	Very low	49.6	Very low	203 Å²	203	136.1 Å²	136.1	88%	0.883	70%	0.697	S	S	*	*			trans	-70.6	84.6	176	-75.6	-173.9	177.4	179.7	0	109.5	K72 K76	K72-K74 PolarHBondContact O-N 3.21Å; K74-K76 VanDerWaalsContact C-N 3.34Å; K74-K76 PolarHBondContact O-N 3.41Å
75	W	34.6	Very low	52.7	Low	253 Å²	253	137.7 Å²	137.7	96%	0.958	69%	0.686	S	S	*	*			trans	-65.9	94.1	174.4	-137.8	-26.5	0	0	0	108.7	G73 S77	G73-W75 VanDerWaalsContact C-N 3.27Å; G73-W75 PolarHBondContact O-N 3.09Å; W75-S77 PolarHBondContact O-N 3.24Å
76	K	37.8	Very low	55.8	Low	190 Å²	190	132.3 Å²	132.3	83%	0.826	65%	0.651	S	S	*	*			trans	-64.5	104.3	172	-74.7	-176.1	176.1	-179.2	0	107.5	K74 K78	K74-K76 VanDerWaalsContact C-N 3.34Å; K74-K76 PolarHBondContact O-N 3.41Å; K76-K78 PolarHBondContact O-N 3.38Å
77	S	47.9	Very low	58.7	Low	107 Å²	107	131.2 Å²	131.2	75%	0.748	63%	0.629	S	S	*	*			trans	-58.4	109.2	170.8	-174.7	0	0	0	0	108.7	W75 K79	W75-S77 PolarHBondContact O-N 3.24Å; S77-K79 PolarHBondContact O-N 2.65Å
78	K	56.7	Low	61.7	Low	172 Å²	172	121.7 Å²	121.7	75%	0.748	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-66.6	122.1	170.1	-67.1	-178.7	179.2	-179.6	0	106.6	K76 K402	K76-K78 PolarHBondContact O-N 3.38Å; K78-K402 VanDerWaalsContact O-CD 3.27Å; K78-K402 WeakPolarHBondContact O-CD 3.35Å; K78-K402 WeakPolarHBondContact O-CE 3.44Å; K78-K402 PolarHBondContact O-NZ 2.87Å
79	K	63.5	Low	64.9	Low	190 Å²	190	114.6 Å²	114.6	83%	0.826	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-54.9	168.9	175.2	-65.6	-171.9	176.1	-172.6	0	111.8	S77	S77-K79 PolarHBondContact O-N 2.65Å
80	C	72.9	Confident	68.1	Low	16 Å²	16	111.2 Å²	111.2	11%	0.108	55%	0.546	C	S	.	.	P	Polyproline II helix	trans	-51.2	141.1	161.6	-179	0	0	0	0	109.5	Y82 K402 T404	C80-Y82 VanDerWaalsContact C-N 3.33Å; C80-Y82 PolarHBondContact SG-N 3.3Å; C80-K402 HydrophobicContact CB-CB 3.67Å; C80-K402 WeakPolarHBondContact CB-O 3.41Å; C80-K402 PolarHBondContact SG-O 3.35Å; C80-K402 VanDerWaalsContact SG-O 3.34Å; C80-T404 VanDerWaalsContact CB-OG1 3.28Å; C80-T404 WeakPolarHBondContact CB-OG1 3.21Å
81	R	82.8	Confident	71.3	Confident	160 Å²	160	107.3 Å²	107.3	60%	0.604	53%	0.531	S	S	*	.	S	Bend	trans	-76.4	-22.3	-179.8	69.1	-167.3	-70.1	-172.5	-12.6	113.1	D392 E394	R81-D392 WeakPolarHBondContact CD-OD2 3.21Å; R81-D392 VanDerWaalsContact CG-OD2 3.28Å; R81-D392 WeakPolarHBondContact CG-OD2 3.43Å; R81-E394 IonicContact CZ-OE2 3.61Å; R81-E394 IonicContact NH1-OE2 2.86Å; R81-E394 PolarHBondContact NH1-OE2 2.86Å; R81-E394 IonicContact NH2-OE2 2.6Å
82	Y	89.8	Confident	74.5	Confident	22 Å²	22	104.5 Å²	104.5	9%	0.086	50%	0.498	C	S	.	.			trans	-91.6	124.6	-175.5	-54.3	-62.9	0	0	0	110.7	C80 M378 D392 E394 T404	C80-Y82 VanDerWaalsContact C-N 3.33Å; C80-Y82 PolarHBondContact SG-N 3.3Å; Y82-M378 HydrophobicContact CD1-CG 4.35Å; Y82-M378 HydrophobicContact CD1-SD 3.65Å; Y82-M378 HydrophobicContact CD2-CG 3.61Å; Y82-M378 HydrophobicContact CD2-SD 3.79Å; Y82-M378 HydrophobicContact CE1-CG 4.26Å; Y82-M378 HydrophobicContact CE1-SD 3.96Å; Y82-M378 HydrophobicContact CE2-CG 3.5Å; Y82-M378 VanDerWaalsContact CE2-CG 3.5Å; Y82-M378 HydrophobicContact CE2-SD 4.09Å; Y82-M378 HydrophobicContact CG-CG 4.05Å; Y82-M378 HydrophobicContact CG-SD 3.56Å; Y82-M378 VanDerWaalsContact CG-SD 3.56Å; Y82-D392 HydrophobicContact CD2-CB 4Å; Y82-D392 HydrophobicContact CE2-CB 3.91Å; Y82-D392 WeakPolarHBondContact CE2-OD1 3.43Å; Y82-E394 PolarHBondContact OH-OE2 3.42Å; Y82-T404 PolarHBondContact O-OG1 3.45Å
83	S	92.4	Very high	77.3	Confident	51 Å²	51	100.2 Å²	100.2	36%	0.357	49%	0.486	S	S	.	.			trans	-123.2	141.7	173.1	-172.8	0	0	0	0	108.8	Q442	S83-Q442 PolarHBondContact O-N 3.45Å; S83-Q442 PolarHBondContact OG-OE1 2.57Å
84	F	96.1	Very high	80.4	Confident	12 Å²	12	98.3 Å²	98.3	5%	0.053	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	148	178.9	-68.5	-102.8	0	0	0	109.5	M378 V390 L406 F420 L427 W439 D440 R441	F84-M378 HydrophobicContact CE2-SD 4.12Å; F84-M378 HydrophobicContact CZ-CE 4.12Å; F84-M378 HydrophobicContact CZ-SD 3.83Å; F84-V390 HydrophobicContact CE2-CG1 4.17Å; F84-L406 HydrophobicContact CB-CD1 3.76Å; F84-L406 HydrophobicContact CB-CD2 3.9Å; F84-L406 HydrophobicContact CD2-CD1 4.14Å; F84-L406 HydrophobicContact CG-CD1 4.08Å; F84-F420 HydrophobicContact CE1-CE1 4.37Å; F84-F420 AromaticContact CZ-CE1 3.92Å; F84-F420 HydrophobicContact CZ-CE1 3.92Å; F84-L427 HydrophobicContact CD1-CB 4.22Å; F84-L427 HydrophobicContact CE1-CB 3.92Å; F84-L427 HydrophobicContact CE1-CD2 4.49Å; F84-W439 HydrophobicContact CB-CB 4.19Å; F84-W439 HydrophobicContact CB-CE3 4.33Å; F84-W439 HydrophobicContact CD1-CB 4.26Å; F84-D440 WeakPolarHBondContact CA-O 3.47Å; F84-R441 HydrophobicContact CD1-CB 3.84Å; F84-R441 HydrophobicContact CD1-CG 4.4Å; F84-R441 HydrophobicContact CE1-CB 3.56Å; F84-R441 HydrophobicContact CE1-CG 3.99Å; F84-R441 HydrophobicContact CE2-CG 4.38Å; F84-R441 HydrophobicContact CZ-CB 4.06Å; F84-R441 HydrophobicContact CZ-CG 3.96Å
85	K	96.9	Very high	83.3	Confident	130 Å²	130	90.6 Å²	90.6	57%	0.565	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.7	173.9	-172.2	-164.2	171.6	-168.9	0	108.7	V87 W439 D440 Q442	K85-V87 PolarHBondContact O-N 3.2Å; K85-W439 WeakPolarHBondContact O-CA 3.47Å; K85-D440 PolarHBondContact N-O 2.88Å; K85-D440 PolarHBondContact O-N 3.13Å; K85-Q442 HydrophobicContact CB-CG 4.38Å
86	C	97.3	Very high	86.3	Confident	29 Å²	29	83 Å²	83	20%	0.196	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	125.8	165.9	-177.9	0	0	0	0	109.1	L408 R438 W439	C86-L408 HydrophobicContact CB-CD1 3.66Å; C86-L408 HydrophobicContact CB-CD2 3.89Å; C86-L408 HydrophobicContact CB-CG 4.27Å; C86-L408 WeakPolarHBondContact SG-CD1 3.22Å; C86-R438 WeakPolarHBondContact CA-O 3.35Å; C86-W439 HydrophobicContact CB-CD2 4.06Å; C86-W439 HydrophobicContact CB-CE3 3.82Å; C86-W439 HydrophobicContact CB-CH2 4.08Å; C86-W439 HydrophobicContact CB-CZ2 4.3Å; C86-W439 HydrophobicContact CB-CZ3 3.83Å; C86-W439 VanDerWaalsContact N-CE3 3.26Å
87	V	97.6	Very high	89.2	Confident	51 Å²	51	75.8 Å²	75.8	31%	0.309	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-28.4	178.8	-67	0	0	0	0	112.5	K85 R438 D440	K85-V87 PolarHBondContact O-N 3.2Å; V87-R438 HydrophobicContact CG2-CB 4.23Å; V87-R438 HydrophobicContact CG2-CG 3.7Å; V87-R438 PolarHBondContact N-O 2.96Å; V87-D440 HydrophobicContact CG1-CB 3.95Å; V87-D440 HydrophobicContact CG2-CB 4.32Å; V87-D440 WeakPolarHBondContact CG2-OD1 3.45Å
88	N	98	Very high	91.7	Very high	54 Å²	54	70.7 Å²	70.7	29%	0.289	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	159.3	-176.9	-163.3	4	0	0	0	111.9	G132 I134 R438	N88-G132 WeakPolarHBondContact CB-O 3.32Å; N88-G132 PolarHBondContact ND2-O 2.86Å; N88-I134 HydrophobicContact CB-CD1 4.06Å; N88-I134 HydrophobicContact CB-CG1 4.36Å; N88-I134 PolarHBondContact ND2-N 3.4Å; N88-R438 HydrophobicContact CB-CB 4.48Å; N88-R438 PolarHBondContact O-N 2.73Å
89	S	97.6	Very high	93.7	Very high	54 Å²	54	64 Å²	64	38%	0.378	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	134	176.3	60.5	0	0	0	0	110.4	I436 W437	S89-I436 CarbonylContact C-O 3.29Å; S89-I436 VanDerWaalsContact CA-O 3.23Å; S89-I436 WeakPolarHBondContact CA-O 3.47Å; S89-W437 VanDerWaalsContact CB-CZ3 3.44Å
90	L	97.9	Very high	95.3	Very high	50 Å²	50	55 Å²	55	26%	0.262	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	173.7	172.7	72	80.3	0	0	0	111	Y126 I134 S435 I436	L90-Y126 HydrophobicContact CD1-CE1 4.36Å; L90-Y126 HydrophobicContact CD2-CD1 4.41Å; L90-Y126 HydrophobicContact CD2-CE1 3.96Å; L90-I134 HydrophobicContact CD2-CB 4.01Å; L90-I134 HydrophobicContact CD2-CD1 4.35Å; L90-I134 HydrophobicContact CD2-CG2 3.81Å; L90-S435 WeakPolarHBondContact O-CA 3.49Å; L90-I436 HydrophobicContact CD1-CB 4.28Å; L90-I436 HydrophobicContact CD1-CD1 3.77Å; L90-I436 HydrophobicContact CD1-CG1 4.1Å; L90-I436 HydrophobicContact CG-CB 4.31Å; L90-I436 HydrophobicContact CG-CD1 4.45Å; L90-I436 PolarHBondContact N-O 3Å; L90-I436 PolarHBondContact O-N 3.03Å
91	R	98.3	Very high	96.6	Very high	158 Å²	158	54.2 Å²	54.2	60%	0.596	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.9	139.4	173.9	-174.2	-177.8	-76.3	-167.5	-4.9	109.2	D433 A434	R91-D433 WeakPolarHBondContact CD-O 3.11Å; R91-D433 WeakPolarHBondContact CG-O 3.33Å; R91-D433 IonicContact CZ-OD2 3.77Å; R91-D433 PolarHBondContact NE-O 2.77Å; R91-D433 IonicContact NE-OD2 3.33Å; R91-D433 IonicContact NH2-OD2 3.28Å; R91-D433 PolarHBondContact NH2-OD2 2.86Å; R91-A434 VanDerWaalsContact CA-O 3.32Å; R91-A434 WeakPolarHBondContact CA-O 3.45Å; R91-A434 HydrophobicContact CG-CB 3.81Å; R91-A434 WeakPolarHBondContact CG-O 3.18Å
92	E	98.5	Very high	97.4	Very high	11 Å²	11	48.1 Å²	48.1	5%	0.051	25%	0.254	C	S	.	.			trans	-75.6	150.5	175.1	-65.6	-165.5	-128.5	0	0	112.2	H94 G95 L98 T117 T124 Y126 A434 I436	E92-H94 VanDerWaalsContact C-N 3.34Å; E92-H94 VanDerWaalsContact CB-CD2 3.49Å; E92-H94 WeakPolarHBondContact CB-CD2 3.27Å; E92-H94 VanDerWaalsContact CB-NE2 3.26Å; E92-H94 WeakPolarHBondContact CB-NE2 3.37Å; E92-H94 PolarHBondContact O-N 3.13Å; E92-H94 IonicContact OE2-CD2 3.2Å; E92-H94 IonicContact OE2-NE2 2.74Å; E92-G95 PolarHBondContact O-N 2.91Å; E92-L98 HydrophobicContact CG-CD1 4.32Å; E92-L98 WeakPolarHBondContact OE1-CD1 3.49Å; E92-L98 WeakPolarHBondContact OE1-CD2 3.26Å; E92-T117 PolarHBondContact OE1-OG1 2.74Å; E92-T124 VanDerWaalsContact OE2-CB 3.24Å; E92-T124 WeakPolarHBondContact OE2-CB 3.44Å; E92-T124 PolarHBondContact OE2-OG1 3.22Å; E92-Y126 VanDerWaalsContact CD-OH 3.31Å; E92-Y126 WeakPolarHBondContact CG-OH 3.3Å; E92-A434 HydrophobicContact CB-CB 4.34Å; E92-A434 PolarHBondContact N-O 2.98Å; E92-I436 HydrophobicContact CG-CD1 4.32Å
93	D	97.9	Very high	97.8	Very high	125 Å²	125	47.3 Å²	47.3	67%	0.668	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-32.9	-171.1	64.2	-44.3	0	0	0	113.5	G95 R122	D93-G95 VanDerWaalsContact C-N 3.28Å; D93-G95 PolarHBondContact O-N 3Å; D93-R122 IonicContact OD1-CZ 3.5Å; D93-R122 IonicContact OD1-NH1 3.69Å; D93-R122 PolarHBondContact OD1-NH1 2.85Å; D93-R122 IonicContact OD2-CZ 2.65Å; D93-R122 IonicContact OD2-NH1 3.48Å; D93-R122 PolarHBondContact OD2-NH1 3.01Å; D93-R122 IonicContact OD2-NH2 3.7Å; D93-R122 PolarHBondContact OD2-NH2 2.94Å
94	H	97.3	Very high	98	Very high	27 Å²	27	45.5 Å²	45.5	13%	0.125	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-16.8	-177	62.1	91.4	0	0	0	114	E92 Q96	E92-H94 VanDerWaalsContact C-N 3.34Å; E92-H94 VanDerWaalsContact CB-CD2 3.49Å; E92-H94 WeakPolarHBondContact CB-CD2 3.27Å; E92-H94 VanDerWaalsContact CB-NE2 3.26Å; E92-H94 WeakPolarHBondContact CB-NE2 3.37Å; E92-H94 PolarHBondContact O-N 3.13Å; E92-H94 IonicContact OE2-CD2 3.2Å; E92-H94 IonicContact OE2-NE2 2.74Å; H94-Q96 WeakPolarHBondContact ND1-CB 3.19Å; H94-Q96 PolarHBondContact ND1-N 3.29Å; H94-Q96 PolarHBondContact O-N 2.99Å; H94-Q96 VanDerWaalsContact O-N 3.09Å; H94-Q96 PolarHBondContact O-NE2 3.1Å
95	G	97.6	Very high	98.1	Very high	41 Å²	41	48.3 Å²	48.3	42%	0.423	25%	0.247	S	C	.	.			trans	65.7	9.8	174.3	0	0	0	0	0	116.4	E92 D93	E92-G95 PolarHBondContact O-N 2.91Å; D93-G95 VanDerWaalsContact C-N 3.28Å; D93-G95 PolarHBondContact O-N 3Å
96	Q	98.6	Very high	98.1	Very high	94 Å²	94	45.7 Å²	45.7	44%	0.439	24%	0.237	S	C	.	.			trans	-91.1	159.6	-179.5	-52.8	-53.4	-53.6	0	0	112.1	H94 L98 A434	H94-Q96 WeakPolarHBondContact ND1-CB 3.19Å; H94-Q96 PolarHBondContact ND1-N 3.29Å; H94-Q96 PolarHBondContact O-N 2.99Å; H94-Q96 VanDerWaalsContact O-N 3.09Å; H94-Q96 PolarHBondContact O-NE2 3.1Å; Q96-L98 PolarHBondContact O-N 3.02Å; Q96-A434 WeakPolarHBondContact O-CA 3.5Å; Q96-A434 VanDerWaalsContact O-CB 3.3Å; Q96-A434 WeakPolarHBondContact O-CB 3.48Å
97	P	98.6	Very high	97.8	Very high	37 Å²	37	44.9 Å²	44.9	24%	0.24	23%	0.232	C	C	.	.			trans	-53	128.2	175.1	-29.8	37	0	0	0	114.1	F99 G119 D432	P97-F99 HydrophobicContact CB-CE1 4.25Å; P97-F99 HydrophobicContact CB-CE2 4.02Å; P97-F99 HydrophobicContact CB-CZ 3.85Å; P97-F99 HydrophobicContact CG-CZ 4.49Å; P97-F99 PolarHBondContact O-N 3.03Å; P97-G119 WeakPolarHBondContact O-CA 3.44Å; P97-D432 WeakPolarHBondContact CA-O 3.23Å; P97-D432 HydrophobicContact CB-CB 4.35Å; P97-D432 HydrophobicContact CG-CB 4.4Å
98	L	98.9	Very high	97.5	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	25%	0.248	C	C	.	.			trans	-89.3	101.4	168.1	-69.2	176.2	0	0	0	108.8	E92 Q96 V118 V430 C431 I436	E92-L98 HydrophobicContact CG-CD1 4.32Å; E92-L98 WeakPolarHBondContact OE1-CD1 3.49Å; E92-L98 WeakPolarHBondContact OE1-CD2 3.26Å; Q96-L98 PolarHBondContact O-N 3.02Å; L98-V118 CarbonylContact C-O 3.58Å; L98-V430 HydrophobicContact CB-CB 3.79Å; L98-V430 HydrophobicContact CB-CG2 4.1Å; L98-V430 HydrophobicContact CD1-CB 4.24Å; L98-V430 HydrophobicContact CD1-CG1 4.35Å; L98-V430 WeakPolarHBondContact O-CG2 3.36Å; L98-C431 PolarHBondContact N-O 3.46Å; L98-C431 VanDerWaalsContact N-O 3.13Å; L98-I436 HydrophobicContact CD1-CD1 4.14Å; L98-I436 HydrophobicContact CD1-CG1 3.66Å
99	F	98.8	Very high	96.9	Very high	31 Å²	31	56.9 Å²	56.9	14%	0.136	28%	0.28	C	S	.	.			trans	-72.8	-43.6	-177.9	-70.1	-70	0	0	0	112.4	P97 V118 N148 Y150 Y367 R369 R416	P97-F99 HydrophobicContact CB-CE1 4.25Å; P97-F99 HydrophobicContact CB-CE2 4.02Å; P97-F99 HydrophobicContact CB-CZ 3.85Å; P97-F99 HydrophobicContact CG-CZ 4.49Å; P97-F99 PolarHBondContact O-N 3.03Å; F99-V118 PolarHBondContact N-O 3.49Å; F99-N148 WeakPolarHBondContact CE2-OD1 3.26Å; F99-Y150 AromaticContact CD2-CD1 3.96Å; F99-Y150 HydrophobicContact CD2-CD1 3.96Å; F99-Y150 HydrophobicContact CE2-CD1 4.18Å; F99-Y150 HydrophobicContact CE2-CE1 4.33Å; F99-Y150 HydrophobicContact CG-CD1 4.24Å; F99-Y367 HydrophobicContact CB-CE1 4.25Å; F99-Y367 HydrophobicContact CD1-CD1 4.02Å; F99-Y367 HydrophobicContact CD1-CE1 4.1Å; F99-R369 PolarHBondContact O-NH2 3.47Å; F99-R416 HydrophobicContact CD1-CG 4.45Å; F99-R416 WeakPolarHBondContact O-CB 3.47Å
100	G	98.6	Very high	96.5	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	149.8	-168.4	0	0	0	0	0	114.4	T117 V118 Q417	G100-T117 WeakPolarHBondContact O-CA 3.32Å; G100-V118 PolarHBondContact N-O 3.01Å; G100-V118 VanDerWaalsContact N-O 3.13Å; G100-V118 PolarHBondContact O-N 2.91Å; G100-Q417 VanDerWaalsContact CA-OE1 3.28Å
101	V	98.9	Very high	96.2	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	134.2	173.3	62	0	0	0	0	111.1	F115 A116 T117 Q417 S419 I428 V430	V101-F115 HydrophobicContact CG2-CD2 3.84Å; V101-F115 HydrophobicContact CG2-CE2 4.41Å; V101-A116 CarbonylContact C-O 3.52Å; V101-A116 VanDerWaalsContact CA-O 3.27Å; V101-A116 WeakPolarHBondContact CA-O 3.21Å; V101-A116 WeakPolarHBondContact CG2-O 3.11Å; V101-T117 HydrophobicContact CG2-CG2 4.16Å; V101-Q417 HydrophobicContact CG1-CB 4.16Å; V101-Q417 HydrophobicContact CG1-CG 4.09Å; V101-Q417 PolarHBondContact O-OE1 3.02Å; V101-S419 WeakPolarHBondContact O-CB 3.5Å; V101-I428 HydrophobicContact CG2-CB 4.36Å; V101-I428 HydrophobicContact CG2-CG2 3.82Å; V101-V430 HydrophobicContact CB-CB 4.4Å; V101-V430 HydrophobicContact CB-CG1 3.7Å; V101-V430 HydrophobicContact CB-CG2 3.79Å; V101-V430 HydrophobicContact CG1-CB 4.46Å; V101-V430 HydrophobicContact CG1-CG1 4.04Å; V101-V430 HydrophobicContact CG1-CG2 3.7Å; V101-V430 HydrophobicContact CG2-CG1 3.97Å
102	Q	98.9	Very high	96	Very high	32 Å²	32	55 Å²	55	15%	0.15	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	128	175.3	-64.8	-57.2	-27.1	0	0	112.5	F115 A116 C152 W154	Q102-F115 CarbonylContact O-C 3.51Å; Q102-F115 WeakPolarHBondContact O-CA 3.32Å; Q102-A116 PolarHBondContact N-O 3.48Å; Q102-A116 PolarHBondContact O-N 3.43Å; Q102-C152 WeakPolarHBondContact CG-O 3.5Å; Q102-W154 PolarHBondContact O-NE1 3.49Å
103	F	98.8	Very high	96	Very high	6 Å²	6	56.3 Å²	56.3	3%	0.026	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	146	162.2	-84.9	-82.6	0	0	0	111.5	W105 L113 V114 F115 W154 S419 F420 I426 I428	F103-W105 PolarHBondContact O-N 2.99Å; F103-W105 VanDerWaalsContact O-N 3.13Å; F103-L113 HydrophobicContact CD1-CB 4.5Å; F103-L113 HydrophobicContact CE1-CB 4.07Å; F103-V114 WeakPolarHBondContact CA-O 3.38Å; F103-V114 WeakPolarHBondContact CD1-O 3.23Å; F103-F115 HydrophobicContact CB-CB 4.48Å; F103-F115 HydrophobicContact CD1-CB 3.79Å; F103-F115 HydrophobicContact CD2-CB 4.31Å; F103-F115 HydrophobicContact CE1-CB 4.03Å; F103-F115 AromaticContact CE1-CD1 3.94Å; F103-F115 HydrophobicContact CE1-CD1 3.94Å; F103-F115 HydrophobicContact CE1-CG 4.41Å; F103-F115 HydrophobicContact CG-CB 3.94Å; F103-F115 HydrophobicContact CZ-CB 4.43Å; F103-F115 HydrophobicContact CZ-CD1 4.1Å; F103-W154 VanDerWaalsContact O-CD1 3.22Å; F103-S419 WeakPolarHBondContact CE2-O 3.2Å; F103-S419 PolarHBondContact N-OG 3.12Å; F103-F420 VanDerWaalsContact CD2-O 3.23Å; F103-F420 WeakPolarHBondContact CD2-O 3.35Å; F103-I426 HydrophobicContact CE2-CG2 4.49Å; F103-I426 HydrophobicContact CZ-CB 4.12Å; F103-I426 HydrophobicContact CZ-CG2 3.92Å; F103-I428 HydrophobicContact CE2-CB 4.12Å; F103-I428 HydrophobicContact CE2-CG1 3.46Å; F103-I428 VanDerWaalsContact CE2-CG1 3.46Å; F103-I428 HydrophobicContact CZ-CD1 4.39Å; F103-I428 HydrophobicContact CZ-CG1 3.51Å
104	N	98	Very high	96	Very high	12 Å²	12	51.4 Å²	51.4	6%	0.064	28%	0.282	C	S	.	.			trans	-75.2	97.5	168.9	-177.7	6.8	0	0	0	109.9	H106 S107 V114 W154	N104-H106 PolarHBondContact O-N 2.97Å; N104-H106 WeakPolarHBondContact OD1-CB 3.34Å; N104-H106 PolarHBondContact OD1-N 3.06Å; N104-S107 PolarHBondContact O-OG 3.43Å; N104-V114 PolarHBondContact N-O 3.13Å; N104-W154 HydrophobicContact CB-CD2 3.7Å; N104-W154 HydrophobicContact CB-CE3 4.01Å; N104-W154 HydrophobicContact CB-CG 4.11Å; N104-W154 HydrophobicContact CB-CH2 4.28Å; N104-W154 HydrophobicContact CB-CZ2 4Å; N104-W154 HydrophobicContact CB-CZ3 4.29Å
105	W	97.8	Very high	96	Very high	72 Å²	72	50.1 Å²	50.1	27%	0.273	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-0.4	174.9	-68.3	-3.7	0	0	0	114.2	F103 F374 F420 R422	F103-W105 PolarHBondContact O-N 2.99Å; F103-W105 VanDerWaalsContact O-N 3.13Å; W105-F374 HydrophobicContact CD2-CB 4.4Å; W105-F374 HydrophobicContact CD2-CD2 4.24Å; W105-F374 HydrophobicContact CE3-CB 4.31Å; W105-F374 AromaticContact CE3-CD2 3.74Å; W105-F374 HydrophobicContact CE3-CD2 3.74Å; W105-F374 HydrophobicContact CH2-CB 4.3Å; W105-F374 HydrophobicContact CZ2-CB 4.4Å; W105-F374 HydrophobicContact CZ3-CB 4.25Å; W105-F374 HydrophobicContact CZ3-CD2 4.16Å; W105-F420 PolarHBondContact NE1-O 3.05Å; W105-R422 HydrophobicContact CB-CG 4.31Å; W105-R422 HydrophobicContact CG-CB 4.3Å; W105-R422 HydrophobicContact CG-CG 4.32Å; W105-R422 VanDerWaalsContact O-CD 3.28Å; W105-R422 WeakPolarHBondContact O-CD 3.47Å; W105-R422 PolarHBondContact O-NE 2.61Å; W105-R422 VanDerWaalsContact O-NE 3.16Å; W105-R422 PolarHBondContact O-NH1 3.1Å
106	H	95.9	Very high	96.1	Very high	75 Å²	75	48.2 Å²	48.2	35%	0.347	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-2.9	175.1	-53.5	-64.8	0	0	0	113.3	N104 W154 T155 Y156	N104-H106 PolarHBondContact O-N 2.97Å; N104-H106 WeakPolarHBondContact OD1-CB 3.34Å; N104-H106 PolarHBondContact OD1-N 3.06Å; H106-W154 PolarHBondContact NE2-O 2.94Å; H106-T155 WeakPolarHBondContact NE2-CA 3.09Å; H106-Y156 HydrophobicContact CB-CD1 3.99Å; H106-Y156 AromaticContact CG-CD1 3.71Å; H106-Y156 AromaticContact ND1-CD1 3.67Å; H106-Y156 AromaticContact ND1-CE1 3.72Å
107	S	91.4	Very high	96.1	Very high	12 Å²	12	43.7 Å²	43.7	8%	0.084	24%	0.235	C	C	.	.	S	Bend	trans	-63.4	151.6	170.4	69.3	0	0	0	0	111.6	N104 R422	N104-S107 PolarHBondContact O-OG 3.43Å; S107-R422 PolarHBondContact O-NH1 2.94Å
108	K	90.4	Very high	96.1	Very high	152 Å²	152	42 Å²	42	66%	0.661	22%	0.224	S	C	*	.	P	Polyproline II helix	trans	-83.7	161.9	-179.4	-58.9	175.5	-176.8	173.5	0	110.5	G110 D111	K108-G110 PolarHBondContact O-N 3.05Å; K108-D111 VanDerWaalsContact CB-OD2 3.32Å; K108-D111 WeakPolarHBondContact CB-OD2 3.46Å; K108-D111 PolarHBondContact N-OD2 2.88Å; K108-D111 WeakPolarHBondContact O-CB 3.4Å; K108-D111 PolarHBondContact O-N 3.37Å
109	E	87.3	Confident	96.1	Very high	205 Å²	205	42 Å²	42	96%	0.958	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	121.9	173.2	-171.7	172.8	-174.1	0	0	109.9
110	G	88.5	Confident	96.1	Very high	79 Å²	79	41.8 Å²	41.8	81%	0.814	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	97.8	-14.8	-173.1	0	0	0	0	0	115.1	K108	K108-G110 PolarHBondContact O-N 3.05Å
111	D	92.5	Very high	96.1	Very high	77 Å²	77	42.7 Å²	42.7	41%	0.412	23%	0.232	S	C	.	.	S	Bend	trans	-69.7	151.7	169.4	-69.2	-15.9	0	0	0	110.4	K108	K108-D111 VanDerWaalsContact CB-OD2 3.32Å; K108-D111 WeakPolarHBondContact CB-OD2 3.46Å; K108-D111 PolarHBondContact N-OD2 2.88Å; K108-D111 WeakPolarHBondContact O-CB 3.4Å; K108-D111 PolarHBondContact O-N 3.37Å
112	P	93.9	Very high	96.1	Very high	66 Å²	66	45.3 Å²	45.3	43%	0.429	24%	0.241	S	C	.	.			trans	-59.4	147.5	174.8	-24.6	34.7	0	0	0	113.9	V114 E127	P112-V114 PolarHBondContact O-N 3.32Å; P112-E127 HydrophobicContact CB-CG 3.67Å; P112-E127 WeakPolarHBondContact CB-OE1 3.37Å; P112-E127 VanDerWaalsContact CG-OE1 3.25Å; P112-E127 WeakPolarHBondContact CG-OE1 3.47Å
113	L	97.2	Very high	96	Very high	38 Å²	38	43.8 Å²	43.8	20%	0.199	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	88.5	178.3	-67.4	179.5	0	0	0	110.6	F103 C128 I426	F103-L113 HydrophobicContact CD1-CB 4.5Å; F103-L113 HydrophobicContact CE1-CB 4.07Å; L113-C128 HydrophobicContact CB-CB 4.05Å; L113-C128 WeakPolarHBondContact O-CB 3.1Å; L113-C128 PolarHBondContact O-N 2.8Å; L113-I426 HydrophobicContact CD1-CD1 3.73Å; L113-I426 HydrophobicContact CD1-CG1 4.27Å
114	V	97.8	Very high	96	Very high	23 Å²	23	43.7 Å²	43.7	14%	0.139	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	137.8	178.8	178	0	0	0	0	111.7	F103 N104 P112 Y126 E127 L137 W154	F103-V114 WeakPolarHBondContact CA-O 3.38Å; F103-V114 WeakPolarHBondContact CD1-O 3.23Å; N104-V114 PolarHBondContact N-O 3.13Å; P112-V114 PolarHBondContact O-N 3.32Å; V114-Y126 CarbonylContact C-O 3.56Å; V114-Y126 VanDerWaalsContact CA-O 3.25Å; V114-Y126 WeakPolarHBondContact CA-O 3.42Å; V114-E127 HydrophobicContact CG2-CG 4.4Å; V114-L137 HydrophobicContact CG1-CD1 4.07Å; V114-L137 HydrophobicContact CG2-CD1 3.97Å; V114-W154 HydrophobicContact CG1-CH2 4.32Å; V114-W154 HydrophobicContact CG1-CZ2 4.32Å
115	F	98.6	Very high	96	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	154.5	169.2	69.4	-88.6	0	0	0	112.6	V101 Q102 F103 T117 L125 Y126 I134 I428 I436	V101-F115 HydrophobicContact CG2-CD2 3.84Å; V101-F115 HydrophobicContact CG2-CE2 4.41Å; Q102-F115 CarbonylContact O-C 3.51Å; Q102-F115 WeakPolarHBondContact O-CA 3.32Å; F103-F115 HydrophobicContact CB-CB 4.48Å; F103-F115 HydrophobicContact CD1-CB 3.79Å; F103-F115 HydrophobicContact CD2-CB 4.31Å; F103-F115 HydrophobicContact CE1-CB 4.03Å; F103-F115 AromaticContact CE1-CD1 3.94Å; F103-F115 HydrophobicContact CE1-CD1 3.94Å; F103-F115 HydrophobicContact CE1-CG 4.41Å; F103-F115 HydrophobicContact CG-CB 3.94Å; F103-F115 HydrophobicContact CZ-CB 4.43Å; F103-F115 HydrophobicContact CZ-CD1 4.1Å; F115-T117 HydrophobicContact CD2-CG2 4.08Å; F115-T117 HydrophobicContact CE2-CG2 3.86Å; F115-L125 WeakPolarHBondContact O-CA 3.32Å; F115-Y126 HydrophobicContact CD2-CD2 4.18Å; F115-Y126 VanDerWaalsContact CE1-CB 3.46Å; F115-Y126 HydrophobicContact CE1-CG 4.34Å; F115-Y126 AromaticContact CE2-CD2 3.52Å; F115-Y126 HydrophobicContact CE2-CD2 3.52Å; F115-Y126 HydrophobicContact CE2-CE2 4.44Å; F115-Y126 AromaticContact CE2-CG 3.95Å; F115-Y126 HydrophobicContact CE2-CG 3.95Å; F115-Y126 AromaticContact CZ-CD2 3.84Å; F115-Y126 HydrophobicContact CZ-CD2 3.84Å; F115-Y126 AromaticContact CZ-CG 3.78Å; F115-Y126 HydrophobicContact CZ-CG 3.78Å; F115-Y126 PolarHBondContact N-O 3.36Å; F115-Y126 PolarHBondContact O-N 2.91Å; F115-I134 HydrophobicContact CE1-CG2 4.04Å; F115-I134 HydrophobicContact CZ-CG2 3.86Å; F115-I428 HydrophobicContact CD1-CD1 4.31Å; F115-I428 HydrophobicContact CD1-CG1 4.05Å; F115-I428 HydrophobicContact CD2-CG2 4.32Å; F115-I428 HydrophobicContact CE1-CD1 3.72Å; F115-I428 HydrophobicContact CE1-CG1 3.94Å; F115-I428 HydrophobicContact CE2-CG1 4.45Å; F115-I428 HydrophobicContact CE2-CG2 3.93Å; F115-I428 HydrophobicContact CG-CG1 4.36Å; F115-I428 HydrophobicContact CZ-CD1 3.85Å; F115-I428 HydrophobicContact CZ-CG1 4.14Å; F115-I428 HydrophobicContact CZ-CG2 4.19Å; F115-I436 HydrophobicContact CE2-CD1 4.49Å; F115-I436 HydrophobicContact CE2-CG2 4.06Å; F115-I436 HydrophobicContact CZ-CG2 4.04Å
116	A	98.8	Very high	96.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	147.4	172.4	0	0	0	0	0	110.5	V101 Q102 T124 L125 W154 L165	V101-A116 CarbonylContact C-O 3.52Å; V101-A116 VanDerWaalsContact CA-O 3.27Å; V101-A116 WeakPolarHBondContact CA-O 3.21Å; V101-A116 WeakPolarHBondContact CG2-O 3.11Å; Q102-A116 PolarHBondContact N-O 3.48Å; Q102-A116 PolarHBondContact O-N 3.43Å; A116-T124 CarbonylContact C-O 3.57Å; A116-T124 WeakPolarHBondContact CA-O 3.46Å; A116-L125 HydrophobicContact CB-CD2 3.46Å; A116-L125 VanDerWaalsContact CB-CD2 3.46Å; A116-W154 HydrophobicContact CB-CZ2 3.82Å; A116-L165 HydrophobicContact CB-CD1 4.1Å; A116-L165 HydrophobicContact CB-CD2 3.63Å
117	T	98.9	Very high	96.2	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	152.7	168.4	50.3	0	0	0	0	109.8	E92 G100 V101 F115 V123 T124 Y126 V430 I436	E92-T117 PolarHBondContact OE1-OG1 2.74Å; G100-T117 WeakPolarHBondContact O-CA 3.32Å; V101-T117 HydrophobicContact CG2-CG2 4.16Å; F115-T117 HydrophobicContact CD2-CG2 4.08Å; F115-T117 HydrophobicContact CE2-CG2 3.86Å; T117-V123 WeakPolarHBondContact O-CA 3.21Å; T117-T124 PolarHBondContact N-O 3.02Å; T117-T124 PolarHBondContact O-N 3.46Å; T117-T124 VanDerWaalsContact O-N 3.1Å; T117-T124 WeakPolarHBondContact OG1-CB 3.26Å; T117-T124 PolarHBondContact OG1-O 2.83Å; T117-Y126 HydrophobicContact CG2-CD2 4.25Å; T117-Y126 HydrophobicContact CG2-CE2 4.13Å; T117-V430 HydrophobicContact CG2-CG1 3.87Å; T117-I436 HydrophobicContact CG2-CD1 3.78Å; T117-I436 HydrophobicContact CG2-CG1 4.49Å
118	V	98.8	Very high	96.5	Very high	1 Å²	1	38 Å²	38	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	139.8	174.5	-68	0	0	0	0	112.1	L98 F99 G100 V123 F149 C152 V167	L98-V118 CarbonylContact C-O 3.58Å; F99-V118 PolarHBondContact N-O 3.49Å; G100-V118 PolarHBondContact N-O 3.01Å; G100-V118 VanDerWaalsContact N-O 3.13Å; G100-V118 PolarHBondContact O-N 2.91Å; V118-V123 HydrophobicContact CG1-CB 4.28Å; V118-V123 HydrophobicContact CG1-CG1 3.94Å; V118-V123 HydrophobicContact CG1-CG2 3.98Å; V118-F149 HydrophobicContact CB-CB 3.8Å; V118-F149 HydrophobicContact CG1-CB 4.23Å; V118-C152 HydrophobicContact CG1-CB 3.75Å; V118-C152 HydrophobicContact CG2-CB 4.23Å; V118-V167 HydrophobicContact CG1-CG1 4.02Å
119	G	98.4	Very high	96.7	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.8	146.7	176.8	0	0	0	0	0	110.5	P97 R122	P97-G119 WeakPolarHBondContact O-CA 3.44Å; G119-R122 PolarHBondContact N-O 3.21Å; G119-R122 PolarHBondContact O-N 2.85Å
120	S	98.6	Very high	96.9	Very high	27 Å²	27	27.4 Å²	27.4	19%	0.189	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	-156.7	-162.7	-167.8	0	0	0	0	110.6	R122 E147 N148 F149	S120-R122 PolarHBondContact O-N 2.68Å; S120-E147 CarbonylContact C-O 3.55Å; S120-E147 VanDerWaalsContact C-O 3.29Å; S120-N148 WeakPolarHBondContact CA-OD1 3.11Å; S120-N148 PolarHBondContact N-OD1 3.46Å; S120-N148 WeakPolarHBondContact O-CA 3.33Å; S120-F149 PolarHBondContact O-N 3.04Å
121	N	98.5	Very high	97.1	Very high	19 Å²	19	32.8 Å²	32.8	10%	0.102	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	24.5	177.1	77.8	-23.8	0	0	0	112.9	D142 D144 E147	N121-D142 HydrophobicContact CB-CB 4.08Å; N121-D142 PolarHBondContact ND2-O 2.95Å; N121-D142 PolarHBondContact O-N 3.03Å; N121-D144 WeakPolarHBondContact CB-O 3.43Å; N121-D144 PolarHBondContact ND2-O 3.3Å; N121-D144 VanDerWaalsContact ND2-O 3.1Å; N121-E147 WeakPolarHBondContact CA-O 3.05Å; N121-E147 HydrophobicContact CB-CB 4.18Å; N121-E147 VanDerWaalsContact CB-O 3.28Å; N121-E147 WeakPolarHBondContact CB-O 3.46Å; N121-E147 PolarHBondContact N-O 2.92Å
122	R	98.3	Very high	97.2	Very high	54 Å²	54	29.2 Å²	29.2	20%	0.204	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	148.6	-170.6	-60.7	-160.4	-179.5	-170.4	8.9	114.7	D93 G119 S120 Y140 V141	D93-R122 IonicContact OD1-CZ 3.5Å; D93-R122 IonicContact OD1-NH1 3.69Å; D93-R122 PolarHBondContact OD1-NH1 2.85Å; D93-R122 IonicContact OD2-CZ 2.65Å; D93-R122 IonicContact OD2-NH1 3.48Å; D93-R122 PolarHBondContact OD2-NH1 3.01Å; D93-R122 IonicContact OD2-NH2 3.7Å; D93-R122 PolarHBondContact OD2-NH2 2.94Å; G119-R122 PolarHBondContact N-O 3.21Å; G119-R122 PolarHBondContact O-N 2.85Å; S120-R122 PolarHBondContact O-N 2.68Å; R122-Y140 VanDerWaalsContact CA-O 3.32Å; R122-Y140 WeakPolarHBondContact CA-O 3.28Å; R122-V141 HydrophobicContact CG-CG1 4.4Å; R122-V141 HydrophobicContact CG-CG2 4.15Å
123	V	98.6	Very high	97.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	106.5	175	-173.1	0	0	0	0	108.3	T117 V118 Y140 F149 L165 V167 I177	T117-V123 WeakPolarHBondContact O-CA 3.21Å; V118-V123 HydrophobicContact CG1-CB 4.28Å; V118-V123 HydrophobicContact CG1-CG1 3.94Å; V118-V123 HydrophobicContact CG1-CG2 3.98Å; V123-Y140 HydrophobicContact CB-CD1 4.33Å; V123-Y140 HydrophobicContact CG2-CD1 3.97Å; V123-Y140 PolarHBondContact N-O 2.83Å; V123-Y140 PolarHBondContact O-N 2.72Å; V123-F149 HydrophobicContact CG2-CD2 3.66Å; V123-F149 HydrophobicContact CG2-CE2 3.7Å; V123-F149 HydrophobicContact CG2-CG 4.37Å; V123-F149 HydrophobicContact CG2-CZ 4.43Å; V123-L165 HydrophobicContact CG1-CD2 3.51Å; V123-V167 HydrophobicContact CG1-CG1 3.93Å; V123-V167 HydrophobicContact CG2-CB 4.26Å; V123-V167 HydrophobicContact CG2-CG1 3.81Å; V123-V167 HydrophobicContact CG2-CG2 4.05Å; V123-I177 HydrophobicContact CB-CD1 4.34Å; V123-I177 HydrophobicContact CG1-CD1 4.42Å; V123-I177 HydrophobicContact CG2-CD1 3.97Å
124	T	98.6	Very high	97.4	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.025	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	132.2	-173.4	-54.3	0	0	0	0	111.7	E92 A116 T117 Y126 L136 S139	E92-T124 VanDerWaalsContact OE2-CB 3.24Å; E92-T124 WeakPolarHBondContact OE2-CB 3.44Å; E92-T124 PolarHBondContact OE2-OG1 3.22Å; A116-T124 CarbonylContact C-O 3.57Å; A116-T124 WeakPolarHBondContact CA-O 3.46Å; T117-T124 PolarHBondContact N-O 3.02Å; T117-T124 PolarHBondContact O-N 3.46Å; T117-T124 VanDerWaalsContact O-N 3.1Å; T117-T124 WeakPolarHBondContact OG1-CB 3.26Å; T117-T124 PolarHBondContact OG1-O 2.83Å; T124-Y126 HydrophobicContact CG2-CD2 4.29Å; T124-Y126 HydrophobicContact CG2-CE1 4.2Å; T124-Y126 HydrophobicContact CG2-CE2 3.51Å; T124-Y126 VanDerWaalsContact CG2-CZ 3.46Å; T124-Y126 WeakPolarHBondContact CG2-OH 3.41Å; T124-L136 HydrophobicContact CG2-CD1 3.29Å; T124-S139 PolarHBondContact OG1-OG 2.75Å
125	L	98.4	Very high	97.4	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	138.3	177.6	-68.7	-164.5	0	0	0	113	F115 A116 L137 Q138 W154 L165 H179 M182	F115-L125 WeakPolarHBondContact O-CA 3.32Å; A116-L125 HydrophobicContact CB-CD2 3.46Å; A116-L125 VanDerWaalsContact CB-CD2 3.46Å; L125-L137 HydrophobicContact CB-CB 4.16Å; L125-L137 PolarHBondContact O-N 3.41Å; L125-Q138 PolarHBondContact N-O 3.24Å; L125-W154 HydrophobicContact CD1-CH2 4.05Å; L125-W154 HydrophobicContact CD2-CH2 3.8Å; L125-W154 HydrophobicContact CD2-CZ2 3.68Å; L125-L165 HydrophobicContact CD2-CD2 4.16Å; L125-H179 HydrophobicContact CD1-CB 4Å; L125-M182 HydrophobicContact CB-CE 4.43Å; L125-M182 HydrophobicContact CD1-CE 3.23Å; L125-M182 HydrophobicContact CD2-CE 4.46Å; L125-M182 HydrophobicContact CG-CE 3.45Å; L125-M182 VanDerWaalsContact CG-CE 3.45Å
126	Y	98.6	Very high	97.4	Very high	11 Å²	11	37.5 Å²	37.5	4%	0.043	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.9	-178.8	-65.5	-77	0	0	0	112.4	L90 E92 V114 F115 T117 T124 I134 R135 L136 I436	L90-Y126 HydrophobicContact CD1-CE1 4.36Å; L90-Y126 HydrophobicContact CD2-CD1 4.41Å; L90-Y126 HydrophobicContact CD2-CE1 3.96Å; E92-Y126 VanDerWaalsContact CD-OH 3.31Å; E92-Y126 WeakPolarHBondContact CG-OH 3.3Å; V114-Y126 CarbonylContact C-O 3.56Å; V114-Y126 VanDerWaalsContact CA-O 3.25Å; V114-Y126 WeakPolarHBondContact CA-O 3.42Å; F115-Y126 HydrophobicContact CD2-CD2 4.18Å; F115-Y126 VanDerWaalsContact CE1-CB 3.46Å; F115-Y126 HydrophobicContact CE1-CG 4.34Å; F115-Y126 AromaticContact CE2-CD2 3.52Å; F115-Y126 HydrophobicContact CE2-CD2 3.52Å; F115-Y126 HydrophobicContact CE2-CE2 4.44Å; F115-Y126 AromaticContact CE2-CG 3.95Å; F115-Y126 HydrophobicContact CE2-CG 3.95Å; F115-Y126 AromaticContact CZ-CD2 3.84Å; F115-Y126 HydrophobicContact CZ-CD2 3.84Å; F115-Y126 AromaticContact CZ-CG 3.78Å; F115-Y126 HydrophobicContact CZ-CG 3.78Å; F115-Y126 PolarHBondContact N-O 3.36Å; F115-Y126 PolarHBondContact O-N 2.91Å; T117-Y126 HydrophobicContact CG2-CD2 4.25Å; T117-Y126 HydrophobicContact CG2-CE2 4.13Å; T124-Y126 HydrophobicContact CG2-CD2 4.29Å; T124-Y126 HydrophobicContact CG2-CE1 4.2Å; T124-Y126 HydrophobicContact CG2-CE2 3.51Å; T124-Y126 VanDerWaalsContact CG2-CZ 3.46Å; T124-Y126 WeakPolarHBondContact CG2-OH 3.41Å; Y126-I134 HydrophobicContact CD1-CG2 3.68Å; Y126-I134 HydrophobicContact CE1-CG2 4.49Å; Y126-I134 HydrophobicContact CG-CG2 3.93Å; Y126-R135 CarbonylContact C-O 3.52Å; Y126-R135 VanDerWaalsContact CA-O 3.25Å; Y126-R135 WeakPolarHBondContact CA-O 3.38Å; Y126-L136 HydrophobicContact CD1-CB 4.36Å; Y126-L136 HydrophobicContact CD1-CD1 4.49Å; Y126-L136 HydrophobicContact CE1-CB 4.12Å; Y126-L136 HydrophobicContact CE1-CD1 4Å; Y126-I436 HydrophobicContact CD2-CD1 4.05Å; Y126-I436 HydrophobicContact CE2-CD1 3.37Å
127	E	98	Very high	97.2	Very high	27 Å²	27	41 Å²	41	13%	0.126	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.6	176	-165.3	-172	-177.8	0	0	109.9	P112 V114 H129 R135 L137	P112-E127 HydrophobicContact CB-CG 3.67Å; P112-E127 WeakPolarHBondContact CB-OE1 3.37Å; P112-E127 VanDerWaalsContact CG-OE1 3.25Å; P112-E127 WeakPolarHBondContact CG-OE1 3.47Å; V114-E127 HydrophobicContact CG2-CG 4.4Å; E127-H129 VanDerWaalsContact CD-CE1 3.48Å; E127-H129 PolarHBondContact O-N 2.91Å; E127-H129 IonicContact OE1-CE1 3.43Å; E127-H129 PolarHBondContact OE1-CE1 3.01Å; E127-H129 IonicContact OE1-NE2 3.72Å; E127-H129 PolarHBondContact OE1-NE2 2.77Å; E127-H129 IonicContact OE2-CD2 3.62Å; E127-H129 IonicContact OE2-CE1 2.92Å; E127-H129 IonicContact OE2-NE2 3.91Å; E127-H129 PolarHBondContact OE2-NE2 3.22Å; E127-R135 HydrophobicContact CB-CB 4.36Å; E127-R135 PolarHBondContact N-O 3.06Å; E127-R135 PolarHBondContact O-N 3.22Å; E127-R135 IonicContact OE2-NH1 2.76Å; E127-L137 HydrophobicContact CB-CD1 4.05Å; E127-L137 HydrophobicContact CB-CD2 3.95Å; E127-L137 HydrophobicContact CB-CG 3.94Å
128	C	97.9	Very high	96.9	Very high	13 Å²	13	44.6 Å²	44.6	9%	0.088	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	111	176.2	-83.8	0	0	0	0	111.4	L113 I426	L113-C128 HydrophobicContact CB-CB 4.05Å; L113-C128 WeakPolarHBondContact O-CB 3.1Å; L113-C128 PolarHBondContact O-N 2.8Å; C128-I426 HydrophobicContact CB-CD1 3.57Å
129	H	95.7	Very high	96.7	Very high	44 Å²	44	46.9 Å²	46.9	20%	0.204	24%	0.238	C	C	.	.			trans	-95.4	177.6	178.9	-83.4	-72.6	0	0	0	113.2	E127 E133 R135 R438	E127-H129 VanDerWaalsContact CD-CE1 3.48Å; E127-H129 PolarHBondContact O-N 2.91Å; E127-H129 IonicContact OE1-CE1 3.43Å; E127-H129 PolarHBondContact OE1-CE1 3.01Å; E127-H129 IonicContact OE1-NE2 3.72Å; E127-H129 PolarHBondContact OE1-NE2 2.77Å; E127-H129 IonicContact OE2-CD2 3.62Å; E127-H129 IonicContact OE2-CE1 2.92Å; E127-H129 IonicContact OE2-NE2 3.91Å; E127-H129 PolarHBondContact OE2-NE2 3.22Å; H129-E133 HydrophobicContact CB-CB 3.76Å; H129-E133 HydrophobicContact CB-CG 4Å; H129-E133 IonicContact CG-OE2 2.81Å; H129-E133 PolarHBondContact N-O 2.74Å; H129-R135 PolarHBondContact CE1-NH1 2.93Å; H129-R135 VanDerWaalsContact NE2-CZ 3.25Å; H129-R135 PolarHBondContact NE2-NH1 2.87Å; H129-R438 PolarHBondContact O-NH1 3.33Å; H129-R438 PolarHBondContact O-NH2 3.38Å
130	S	91.6	Very high	96.6	Very high	90 Å²	90	48.3 Å²	48.3	63%	0.629	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-61.8	166.6	170.3	81.2	0	0	0	0	112.2	G132 E133	S130-G132 PolarHBondContact O-N 3.08Å; S130-E133 PolarHBondContact O-N 3.26Å
131	Q	91.5	Very high	96.6	Very high	193 Å²	193	50.4 Å²	50.4	90%	0.902	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	59.5	1.2	179.3	-52.7	-175	8.3	0	0	116.4
132	G	94.4	Very high	96.6	Very high	2 Å²	2	50 Å²	50	2%	0.021	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	102.7	-3.3	-178.8	0	0	0	0	0	114.8	N88 S130 I134	N88-G132 WeakPolarHBondContact CB-O 3.32Å; N88-G132 PolarHBondContact ND2-O 2.86Å; S130-G132 PolarHBondContact O-N 3.08Å; G132-I134 PolarHBondContact O-N 2.83Å
133	E	97.6	Very high	96.5	Very high	79 Å²	79	52.6 Å²	52.6	37%	0.369	29%	0.286	S	S	.	.			trans	-55.4	133.3	179.3	171.8	-171.1	-179.4	0	0	111.1	H129 S130 R135 R438	H129-E133 HydrophobicContact CB-CB 3.76Å; H129-E133 HydrophobicContact CB-CG 4Å; H129-E133 IonicContact CG-OE2 2.81Å; H129-E133 PolarHBondContact N-O 2.74Å; S130-E133 PolarHBondContact O-N 3.26Å; E133-R135 IonicContact OE1-CZ 3.85Å; E133-R135 IonicContact OE1-NE 3.39Å; E133-R135 PolarHBondContact OE1-NE 3.11Å; E133-R135 IonicContact OE1-NH2 3.68Å; E133-R135 PolarHBondContact OE1-NH2 3.48Å; E133-R135 IonicContact OE2-NH2 3.22Å; E133-R135 PolarHBondContact OE2-NH2 2.88Å; E133-R438 PolarHBondContact O-NH1 3.07Å
134	I	98.4	Very high	96.5	Very high	16 Å²	16	54 Å²	54	8%	0.082	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	111.2	169.8	-55.9	163.1	0	0	0	104.9	N88 L90 F115 Y126 G132 R438	N88-I134 HydrophobicContact CB-CD1 4.06Å; N88-I134 HydrophobicContact CB-CG1 4.36Å; N88-I134 PolarHBondContact ND2-N 3.4Å; L90-I134 HydrophobicContact CD2-CB 4.01Å; L90-I134 HydrophobicContact CD2-CD1 4.35Å; L90-I134 HydrophobicContact CD2-CG2 3.81Å; F115-I134 HydrophobicContact CE1-CG2 4.04Å; F115-I134 HydrophobicContact CZ-CG2 3.86Å; Y126-I134 HydrophobicContact CD1-CG2 3.68Å; Y126-I134 HydrophobicContact CE1-CG2 4.49Å; Y126-I134 HydrophobicContact CG-CG2 3.93Å; G132-I134 PolarHBondContact O-N 2.83Å; I134-R438 HydrophobicContact CD1-CB 3.77Å; I134-R438 HydrophobicContact CG1-CB 4.21Å
135	R	98.1	Very high	96.4	Very high	101 Å²	101	57.4 Å²	57.4	38%	0.381	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.8	-177	-174.8	177	-61.3	156.7	8	110	Y126 E127 H129 E133 L137	Y126-R135 CarbonylContact C-O 3.52Å; Y126-R135 VanDerWaalsContact CA-O 3.25Å; Y126-R135 WeakPolarHBondContact CA-O 3.38Å; E127-R135 HydrophobicContact CB-CB 4.36Å; E127-R135 PolarHBondContact N-O 3.06Å; E127-R135 PolarHBondContact O-N 3.22Å; E127-R135 IonicContact OE2-NH1 2.76Å; H129-R135 PolarHBondContact CE1-NH1 2.93Å; H129-R135 VanDerWaalsContact NE2-CZ 3.25Å; H129-R135 PolarHBondContact NE2-NH1 2.87Å; E133-R135 IonicContact OE1-CZ 3.85Å; E133-R135 IonicContact OE1-NE 3.39Å; E133-R135 PolarHBondContact OE1-NE 3.11Å; E133-R135 IonicContact OE1-NH2 3.68Å; E133-R135 PolarHBondContact OE1-NH2 3.48Å; E133-R135 IonicContact OE2-NH2 3.22Å; E133-R135 PolarHBondContact OE2-NH2 2.88Å; R135-L137 PolarHBondContact O-N 3Å
136	L	97.6	Very high	96.4	Very high	104 Å²	104	63.3 Å²	63.3	55%	0.545	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	126.2	168.6	174.9	62.6	0	0	0	109.2	T124 Y126	T124-L136 HydrophobicContact CG2-CD1 3.29Å; Y126-L136 HydrophobicContact CD1-CB 4.36Å; Y126-L136 HydrophobicContact CD1-CD1 4.49Å; Y126-L136 HydrophobicContact CE1-CB 4.12Å; Y126-L136 HydrophobicContact CE1-CD1 4Å
137	L	95.6	Very high	96.4	Very high	74 Å²	74	62.9 Å²	62.9	39%	0.387	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	-64.1	174	-69	179.2	0	0	0	110.7	V114 L125 E127 R135	V114-L137 HydrophobicContact CG1-CD1 4.07Å; V114-L137 HydrophobicContact CG2-CD1 3.97Å; L125-L137 HydrophobicContact CB-CB 4.16Å; L125-L137 PolarHBondContact O-N 3.41Å; E127-L137 HydrophobicContact CB-CD1 4.05Å; E127-L137 HydrophobicContact CB-CD2 3.95Å; E127-L137 HydrophobicContact CB-CG 3.94Å; R135-L137 PolarHBondContact O-N 3Å
138	Q	92.2	Very high	96.4	Very high	76 Å²	76	64 Å²	64	36%	0.355	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	160.2	179.2	-60.8	-174	13.6	0	0	108.9	L125 I180 M182	L125-Q138 PolarHBondContact N-O 3.24Å; Q138-I180 PolarHBondContact NE2-O 2.85Å; Q138-I180 PolarHBondContact OE1-O 2.93Å; Q138-M182 HydrophobicContact CB-CE 4.41Å; Q138-M182 HydrophobicContact CB-CG 3.66Å; Q138-M182 HydrophobicContact CG-CG 4.5Å
139	S	94.4	Very high	96.5	Very high	48 Å²	48	63.3 Å²	63.3	34%	0.336	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.3	169.1	-171.9	0	0	0	0	108.8	T124	T124-S139 PolarHBondContact OG1-OG 2.75Å
140	Y	96.9	Very high	96.6	Very high	31 Å²	31	63.3 Å²	63.3	12%	0.122	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	135.3	167.8	172.5	-105.5	0	0	0	108.8	R122 V123 D142 F149 I177 M182	R122-Y140 VanDerWaalsContact CA-O 3.32Å; R122-Y140 WeakPolarHBondContact CA-O 3.28Å; V123-Y140 HydrophobicContact CB-CD1 4.33Å; V123-Y140 HydrophobicContact CG2-CD1 3.97Å; V123-Y140 PolarHBondContact N-O 2.83Å; V123-Y140 PolarHBondContact O-N 2.72Å; Y140-D142 HydrophobicContact CE1-CB 4.18Å; Y140-D142 WeakPolarHBondContact CE1-OD2 3.22Å; Y140-D142 PolarHBondContact OH-OD2 3.43Å; Y140-F149 HydrophobicContact CE1-CE2 4.4Å; Y140-F149 HydrophobicContact CE1-CZ 4.32Å; Y140-I177 HydrophobicContact CD1-CD1 3.54Å; Y140-I177 HydrophobicContact CE1-CD1 3.83Å; Y140-I177 HydrophobicContact CG-CD1 4.02Å; Y140-M182 WeakPolarHBondContact CD2-O 3.24Å
141	V	97.8	Very high	97	Very high	71 Å²	71	59 Å²	59	43%	0.43	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128.6	171	-173.9	0	0	0	0	106.1	R122	R122-V141 HydrophobicContact CG-CG1 4.4Å; R122-V141 HydrophobicContact CG-CG2 4.15Å
142	D	98.1	Very high	97.3	Very high	12 Å²	12	49.9 Å²	49.9	6%	0.064	28%	0.28	C	S	.	.			trans	-70.3	154.9	179.1	-149	-76.1	0	0	0	111.8	N121 Y140 D144 F149 R175	N121-D142 HydrophobicContact CB-CB 4.08Å; N121-D142 PolarHBondContact ND2-O 2.95Å; N121-D142 PolarHBondContact O-N 3.03Å; Y140-D142 HydrophobicContact CE1-CB 4.18Å; Y140-D142 WeakPolarHBondContact CE1-OD2 3.22Å; Y140-D142 PolarHBondContact OH-OD2 3.43Å; D142-D144 VanDerWaalsContact C-N 3.27Å; D142-D144 PolarHBondContact OD1-N 2.9Å; D142-F149 HydrophobicContact CB-CE2 4.25Å; D142-F149 HydrophobicContact CB-CZ 4.2Å; D142-R175 IonicContact OD1-CZ 2.99Å; D142-R175 VanDerWaalsContact OD1-CZ 3.26Å; D142-R175 IonicContact OD1-NH1 3.74Å; D142-R175 PolarHBondContact OD1-NH1 3Å; D142-R175 IonicContact OD1-NH2 3.63Å; D142-R175 PolarHBondContact OD1-NH2 3.19Å; D142-R175 WeakPolarHBondContact OD2-CD 3.23Å; D142-R175 IonicContact OD2-CZ 2.72Å; D142-R175 IonicContact OD2-NE 3.13Å; D142-R175 PolarHBondContact OD2-NE 2.76Å; D142-R175 VanDerWaalsContact OD2-NE 3.17Å; D142-R175 IonicContact OD2-NH1 3.88Å; D142-R175 PolarHBondContact OD2-NH1 2.95Å; D142-R175 IonicContact OD2-NH2 3.2Å
143	A	96.9	Very high	97.5	Very high	107 Å²	107	50.3 Å²	50.3	88%	0.884	28%	0.283	S	S	*	.	S	Bend	trans	-75.3	-22	173	0	0	0	0	0	111.8
144	D	97.6	Very high	97.6	Very high	31 Å²	31	47.3 Å²	47.3	17%	0.166	27%	0.268	C	S	.	.			trans	-81.4	118.8	167.3	-163.6	-28.1	0	0	0	109	N121 D142 D146 E147 R171	N121-D144 WeakPolarHBondContact CB-O 3.43Å; N121-D144 PolarHBondContact ND2-O 3.3Å; N121-D144 VanDerWaalsContact ND2-O 3.1Å; D142-D144 VanDerWaalsContact C-N 3.27Å; D142-D144 PolarHBondContact OD1-N 2.9Å; D144-D146 VanDerWaalsContact C-N 3.32Å; D144-D146 PolarHBondContact OD1-N 3.13Å; D144-E147 HydrophobicContact CB-CB 4.07Å; D144-E147 PolarHBondContact OD1-N 3.23Å; D144-R171 VanDerWaalsContact CG-NH1 3.33Å; D144-R171 IonicContact OD1-CZ 2.8Å; D144-R171 IonicContact OD1-NH1 3.95Å; D144-R171 PolarHBondContact OD1-NH1 2.89Å; D144-R171 WeakPolarHBondContact OD2-CD 3.47Å; D144-R171 IonicContact OD2-CZ 3.54Å; D144-R171 IonicContact OD2-NE 2.77Å; D144-R171 PolarHBondContact OD2-NE 2.88Å; D144-R171 VanDerWaalsContact OD2-NE 3.13Å; D144-R171 IonicContact OD2-NH1 2.86Å; D144-R171 PolarHBondContact OD2-NH1 2.89Å; D144-R171 IonicContact OD2-NH2 3.01Å
145	A	97.6	Very high	97.6	Very high	75 Å²	75	46.6 Å²	46.6	62%	0.62	27%	0.265	S	S	*	.	S	Bend	trans	-78.1	-21	178.8	0	0	0	0	0	112.5
146	D	97.7	Very high	97.5	Very high	125 Å²	125	46 Å²	46	67%	0.668	26%	0.263	S	S	*	.	S	Bend	trans	-97.8	0.6	-174.4	-44.5	-45	0	0	0	111.8	D144 S170	D144-D146 VanDerWaalsContact C-N 3.32Å; D144-D146 PolarHBondContact OD1-N 3.13Å; D146-S170 PolarHBondContact O-OG 3.15Å; D146-S170 VanDerWaalsContact O-OG 3.1Å
147	E	98.4	Very high	97.4	Very high	2 Å²	2	43 Å²	43	1%	0.009	25%	0.248	C	C	.	.			trans	-67.5	134.7	167.2	-179	77.6	-89.8	0	0	110.5	S120 N121 D144 F149 S170 R171 R175	S120-E147 CarbonylContact C-O 3.55Å; S120-E147 VanDerWaalsContact C-O 3.29Å; N121-E147 WeakPolarHBondContact CA-O 3.05Å; N121-E147 HydrophobicContact CB-CB 4.18Å; N121-E147 VanDerWaalsContact CB-O 3.28Å; N121-E147 WeakPolarHBondContact CB-O 3.46Å; N121-E147 PolarHBondContact N-O 2.92Å; D144-E147 HydrophobicContact CB-CB 4.07Å; D144-E147 PolarHBondContact OD1-N 3.23Å; E147-F149 HydrophobicContact CG-CD1 3.86Å; E147-F149 HydrophobicContact CG-CD2 4.39Å; E147-F149 HydrophobicContact CG-CE1 3.43Å; E147-F149 VanDerWaalsContact CG-CE1 3.43Å; E147-F149 HydrophobicContact CG-CE2 4.04Å; E147-F149 HydrophobicContact CG-CG 4.31Å; E147-F149 HydrophobicContact CG-CZ 3.55Å; E147-S170 PolarHBondContact OE1-N 2.88Å; E147-R171 HydrophobicContact CB-CG 3.86Å; E147-R171 HydrophobicContact CG-CG 4.21Å; E147-R171 WeakPolarHBondContact OE1-CB 3.39Å; E147-R171 WeakPolarHBondContact OE1-CG 3.4Å; E147-R171 PolarHBondContact OE1-N 2.9Å; E147-R171 VanDerWaalsContact OE1-N 3.15Å; E147-R171 WeakPolarHBondContact OE2-CB 3.45Å; E147-R171 WeakPolarHBondContact OE2-CG 3.42Å; E147-R175 IonicContact OE2-CZ 2.77Å; E147-R175 VanDerWaalsContact OE2-CZ 3.27Å; E147-R175 IonicContact OE2-NE 3.03Å; E147-R175 PolarHBondContact OE2-NE 3.16Å; E147-R175 IonicContact OE2-NH2 3.8Å; E147-R175 PolarHBondContact OE2-NH2 3.39Å
148	N	98.7	Very high	97.3	Very high	49 Å²	49	42 Å²	42	26%	0.262	25%	0.245	S	C	.	.			trans	-133.6	98.7	177.3	-167.4	-1.6	0	0	0	108.9	F99 S120 Y150 G169 S170	F99-N148 WeakPolarHBondContact CE2-OD1 3.26Å; S120-N148 WeakPolarHBondContact CA-OD1 3.11Å; S120-N148 PolarHBondContact N-OD1 3.46Å; S120-N148 WeakPolarHBondContact O-CA 3.33Å; N148-Y150 HydrophobicContact CB-CE1 4.07Å; N148-Y150 VanDerWaalsContact O-CD1 3.29Å; N148-Y150 WeakPolarHBondContact O-CD1 3.38Å; N148-Y150 WeakPolarHBondContact O-CE1 3.26Å; N148-Y150 PolarHBondContact O-N 3.02Å; N148-G169 CarbonylContact O-C 3.56Å; N148-G169 WeakPolarHBondContact O-CA 3.28Å; N148-S170 PolarHBondContact N-OG 3.28Å; N148-S170 PolarHBondContact O-N 2.9Å
149	F	98.9	Very high	97.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	115	-173.5	-66.3	-56.9	0	0	0	111.7	V118 S120 V123 Y140 D142 E147 V167	V118-F149 HydrophobicContact CB-CB 3.8Å; V118-F149 HydrophobicContact CG1-CB 4.23Å; S120-F149 PolarHBondContact O-N 3.04Å; V123-F149 HydrophobicContact CG2-CD2 3.66Å; V123-F149 HydrophobicContact CG2-CE2 3.7Å; V123-F149 HydrophobicContact CG2-CG 4.37Å; V123-F149 HydrophobicContact CG2-CZ 4.43Å; Y140-F149 HydrophobicContact CE1-CE2 4.4Å; Y140-F149 HydrophobicContact CE1-CZ 4.32Å; D142-F149 HydrophobicContact CB-CE2 4.25Å; D142-F149 HydrophobicContact CB-CZ 4.2Å; E147-F149 HydrophobicContact CG-CD1 3.86Å; E147-F149 HydrophobicContact CG-CD2 4.39Å; E147-F149 HydrophobicContact CG-CE1 3.43Å; E147-F149 VanDerWaalsContact CG-CE1 3.43Å; E147-F149 HydrophobicContact CG-CE2 4.04Å; E147-F149 HydrophobicContact CG-CG 4.31Å; E147-F149 HydrophobicContact CG-CZ 3.55Å; F149-V167 HydrophobicContact CD1-CB 4.1Å; F149-V167 HydrophobicContact CD1-CG2 3.91Å; F149-V167 HydrophobicContact CE1-CB 4.29Å; F149-V167 HydrophobicContact CE1-CG2 3.59Å; F149-V167 HydrophobicContact CE2-CG2 4.49Å; F149-V167 HydrophobicContact CZ-CG2 3.91Å
150	Y	98.9	Very high	97.3	Very high	44 Å²	44	45.1 Å²	45.1	17%	0.173	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-26.6	-179.4	-55.2	-34.8	0	0	0	112.6	F99 N148 A168 A194 Y367 R369	F99-Y150 AromaticContact CD2-CD1 3.96Å; F99-Y150 HydrophobicContact CD2-CD1 3.96Å; F99-Y150 HydrophobicContact CE2-CD1 4.18Å; F99-Y150 HydrophobicContact CE2-CE1 4.33Å; F99-Y150 HydrophobicContact CG-CD1 4.24Å; N148-Y150 HydrophobicContact CB-CE1 4.07Å; N148-Y150 VanDerWaalsContact O-CD1 3.29Å; N148-Y150 WeakPolarHBondContact O-CD1 3.38Å; N148-Y150 WeakPolarHBondContact O-CE1 3.26Å; N148-Y150 PolarHBondContact O-N 3.02Å; Y150-A168 PolarHBondContact N-O 3.3Å; Y150-A194 HydrophobicContact CE2-CB 3.97Å; Y150-Y367 WeakPolarHBondContact CB-OH 3.48Å; Y150-Y367 PolarHBondContact O-OH 2.83Å; Y150-Y367 VanDerWaalsContact O-OH 3.11Å; Y150-R369 PolarHBondContact O-NH1 2.71Å; Y150-R369 PolarHBondContact O-NH2 2.97Å
151	T	98.9	Very high	97	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	152.3	-169.3	-171	0	0	0	0	112.5	V167 A168 I195 E197 L198	T151-V167 WeakPolarHBondContact O-CA 3.44Å; T151-A168 HydrophobicContact CG2-CB 4.37Å; T151-A168 PolarHBondContact N-O 2.98Å; T151-A168 PolarHBondContact O-N 3.1Å; T151-I195 HydrophobicContact CG2-CG2 4.48Å; T151-E197 PolarHBondContact OG1-OE1 2.98Å; T151-L198 HydrophobicContact CG2-CB 4.13Å; T151-L198 HydrophobicContact CG2-CD1 4.24Å; T151-L198 HydrophobicContact CG2-CG 3.76Å; T151-L198 PolarHBondContact OG1-N 3.27Å
152	C	98.8	Very high	96.7	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.007	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	152.9	173.3	66.7	0	0	0	0	111.3	Q102 V118 L165 A166 V167	Q102-C152 WeakPolarHBondContact CG-O 3.5Å; V118-C152 HydrophobicContact CG1-CB 3.75Å; V118-C152 HydrophobicContact CG2-CB 4.23Å; C152-L165 HydrophobicContact CB-CD1 4Å; C152-A166 CarbonylContact C-O 3.58Å; C152-A166 WeakPolarHBondContact CA-O 3.39Å; C152-V167 HydrophobicContact CB-CG1 3.82Å
153	A	98.9	Very high	96.5	Very high	10 Å²	10	48.8 Å²	48.8	8%	0.083	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	134.6	178.3	0	0	0	0	0	111.3	A166 L198 F200	A153-A166 PolarHBondContact N-O 3.01Å; A153-A166 PolarHBondContact O-N 3.17Å; A153-L198 HydrophobicContact CB-CB 3.98Å; A153-F200 HydrophobicContact CB-CD2 3.74Å; A153-F200 HydrophobicContact CB-CE2 4.06Å; A153-F200 WeakPolarHBondContact O-CE2 3.48Å
154	W	98.6	Very high	96.5	Very high	16 Å²	16	44.3 Å²	44.3	6%	0.061	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	140.6	178.5	-71.7	99	0	0	0	112.2	Q102 F103 N104 H106 V114 A116 L125 P163 L165 H179 F200	Q102-W154 PolarHBondContact O-NE1 3.49Å; F103-W154 VanDerWaalsContact O-CD1 3.22Å; N104-W154 HydrophobicContact CB-CD2 3.7Å; N104-W154 HydrophobicContact CB-CE3 4.01Å; N104-W154 HydrophobicContact CB-CG 4.11Å; N104-W154 HydrophobicContact CB-CH2 4.28Å; N104-W154 HydrophobicContact CB-CZ2 4Å; N104-W154 HydrophobicContact CB-CZ3 4.29Å; H106-W154 PolarHBondContact NE2-O 2.94Å; V114-W154 HydrophobicContact CG1-CH2 4.32Å; V114-W154 HydrophobicContact CG1-CZ2 4.32Å; A116-W154 HydrophobicContact CB-CZ2 3.82Å; L125-W154 HydrophobicContact CD1-CH2 4.05Å; L125-W154 HydrophobicContact CD2-CH2 3.8Å; L125-W154 HydrophobicContact CD2-CZ2 3.68Å; W154-P163 HydrophobicContact CE3-CB 4.19Å; W154-P163 HydrophobicContact CZ3-CB 4.1Å; W154-L165 HydrophobicContact CD2-CD1 3.85Å; W154-L165 HydrophobicContact CE3-CB 4.3Å; W154-L165 HydrophobicContact CE3-CD1 4.33Å; W154-L165 HydrophobicContact CG-CD1 4.08Å; W154-L165 HydrophobicContact CZ2-CD1 4.39Å; W154-L165 HydrophobicContact CZ3-CB 4.33Å; W154-H179 HydrophobicContact CH2-CB 4.05Å; W154-H179 HydrophobicContact CZ3-CB 3.78Å; W154-F200 WeakPolarHBondContact O-CD2 3.33Å
155	T	98.6	Very high	96.6	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	-168.8	166.9	-162.5	0	0	0	0	110.5	H106 P163 L164 F200 P205 I222	H106-T155 WeakPolarHBondContact NE2-CA 3.09Å; T155-P163 CarbonylContact O-C 3.54Å; T155-P163 VanDerWaalsContact O-CA 3.28Å; T155-P163 WeakPolarHBondContact O-CA 3.38Å; T155-L164 HydrophobicContact CG2-CB 3.83Å; T155-L164 PolarHBondContact N-O 2.71Å; T155-L164 PolarHBondContact O-N 2.69Å; T155-F200 HydrophobicContact CG2-CD1 4.13Å; T155-F200 HydrophobicContact CG2-CD2 4.23Å; T155-F200 HydrophobicContact CG2-CE1 3.56Å; T155-F200 HydrophobicContact CG2-CE2 3.68Å; T155-F200 HydrophobicContact CG2-CG 4.43Å; T155-F200 HydrophobicContact CG2-CZ 3.31Å; T155-P205 VanDerWaalsContact OG1-CA 3.23Å; T155-P205 WeakPolarHBondContact OG1-CA 3.29Å; T155-P205 WeakPolarHBondContact OG1-CB 3.35Å; T155-P205 PolarHBondContact OG1-O 2.76Å; T155-I222 HydrophobicContact CG2-CD1 3.95Å
156	Y	96.7	Very high	96.6	Very high	88 Å²	88	39.2 Å²	39.2	35%	0.345	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	147.9	169.2	57.4	-86.9	0	0	0	111.1	H106 H162 P205	H106-Y156 HydrophobicContact CB-CD1 3.99Å; H106-Y156 AromaticContact CG-CD1 3.71Å; H106-Y156 AromaticContact ND1-CD1 3.67Å; H106-Y156 AromaticContact ND1-CE1 3.72Å; Y156-H162 CarbonylContact C-O 3.49Å; Y156-H162 VanDerWaalsContact CA-O 3.3Å; Y156-H162 WeakPolarHBondContact CA-O 3.44Å; Y156-P205 HydrophobicContact CD1-CB 4.14Å; Y156-P205 HydrophobicContact CD2-CB 4.34Å; Y156-P205 HydrophobicContact CD2-CG 4.32Å; Y156-P205 HydrophobicContact CE1-CB 3.88Å; Y156-P205 HydrophobicContact CE1-CG 4.29Å; Y156-P205 HydrophobicContact CE2-CB 4.1Å; Y156-P205 HydrophobicContact CE2-CG 3.76Å; Y156-P205 HydrophobicContact CG-CB 4.36Å
157	D	95.3	Very high	96.7	Very high	43 Å²	43	33.3 Å²	33.3	23%	0.23	18%	0.178	C	C	.	.			trans	-68.1	129.2	170.4	170.7	-85.6	0	0	0	110.1	N159 T160 S161 H162 L164	D157-N159 VanDerWaalsContact C-N 3.27Å; D157-N159 PolarHBondContact O-N 2.95Å; D157-N159 WeakPolarHBondContact OD1-CA 3.34Å; D157-N159 WeakPolarHBondContact OD1-CB 3.38Å; D157-N159 PolarHBondContact OD1-N 2.95Å; D157-N159 PolarHBondContact OD1-ND2 3.01Å; D157-N159 PolarHBondContact OD2-ND2 2.94Å; D157-T160 WeakPolarHBondContact CB-OG1 3.35Å; D157-T160 WeakPolarHBondContact OD1-CB 3.46Å; D157-T160 PolarHBondContact OD1-N 3.39Å; D157-T160 PolarHBondContact OD1-OG1 3.13Å; D157-S161 WeakPolarHBondContact O-CA 3.45Å; D157-S161 PolarHBondContact O-N 3.43Å; D157-H162 PolarHBondContact N-O 2.76Å; D157-L164 HydrophobicContact CB-CD1 4.09Å; D157-L164 HydrophobicContact CB-CG 4.48Å
158	T	94.6	Very high	96.7	Very high	52 Å²	52	33.2 Å²	33.2	32%	0.319	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-21.6	-174.9	48.6	0	0	0	0	114.5	P205 N206 Q223	T158-P205 HydrophobicContact CG2-CG 3.46Å; T158-P205 VanDerWaalsContact CG2-CG 3.46Å; T158-N206 WeakPolarHBondContact CG2-ND2 3.48Å; T158-Q223 PolarHBondContact OG1-OE1 3.14Å; T158-Q223 VanDerWaalsContact OG1-OE1 3.12Å
159	N	93.1	Very high	96.7	Very high	116 Å²	116	30.9 Å²	30.9	62%	0.62	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-33.8	-173.3	-45.7	-81.3	0	0	0	111.6	D157	D157-N159 VanDerWaalsContact C-N 3.27Å; D157-N159 PolarHBondContact O-N 2.95Å; D157-N159 WeakPolarHBondContact OD1-CA 3.34Å; D157-N159 WeakPolarHBondContact OD1-CB 3.38Å; D157-N159 PolarHBondContact OD1-N 2.95Å; D157-N159 PolarHBondContact OD1-ND2 3.01Å; D157-N159 PolarHBondContact OD2-ND2 2.94Å
160	T	92.1	Very high	96.7	Very high	73 Å²	73	32.4 Å²	32.4	45%	0.448	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-14.8	-173.9	60.7	0	0	0	0	113.3	D157 H162	D157-T160 WeakPolarHBondContact CB-OG1 3.35Å; D157-T160 WeakPolarHBondContact OD1-CB 3.46Å; D157-T160 PolarHBondContact OD1-N 3.39Å; D157-T160 PolarHBondContact OD1-OG1 3.13Å; T160-H162 VanDerWaalsContact CB-CD2 3.5Å; T160-H162 WeakPolarHBondContact CB-CD2 3.12Å; T160-H162 PolarHBondContact O-N 2.87Å; T160-H162 PolarHBondContact OG1-CD2 3.01Å; T160-H162 PolarHBondContact OG1-N 3.2Å
161	S	91.5	Very high	96.7	Very high	80 Å²	80	35.9 Å²	35.9	56%	0.559	19%	0.189	S	C	*	.			trans	58.3	17.8	-170.2	-53.3	0	0	0	0	114.6	D157 P163	D157-S161 WeakPolarHBondContact O-CA 3.45Å; D157-S161 PolarHBondContact O-N 3.43Å; S161-P163 WeakPolarHBondContact O-CD 3.43Å
162	H	90.8	Very high	96.6	Very high	90 Å²	90	36 Å²	36	42%	0.417	19%	0.19	S	C	.	.			trans	-79.1	128.7	175.6	-67.9	-38.6	0	0	0	110.9	Y156 D157 T160	Y156-H162 CarbonylContact C-O 3.49Å; Y156-H162 VanDerWaalsContact CA-O 3.3Å; Y156-H162 WeakPolarHBondContact CA-O 3.44Å; D157-H162 PolarHBondContact N-O 2.76Å; T160-H162 VanDerWaalsContact CB-CD2 3.5Å; T160-H162 WeakPolarHBondContact CB-CD2 3.12Å; T160-H162 PolarHBondContact O-N 2.87Å; T160-H162 PolarHBondContact OG1-CD2 3.01Å; T160-H162 PolarHBondContact OG1-N 3.2Å
163	P	94.4	Very high	96.6	Very high	22 Å²	22	37.7 Å²	37.7	14%	0.143	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	142.2	171.9	-27	31.8	0	0	0	113.4	W154 T155 S161 H179	W154-P163 HydrophobicContact CE3-CB 4.19Å; W154-P163 HydrophobicContact CZ3-CB 4.1Å; T155-P163 CarbonylContact O-C 3.54Å; T155-P163 VanDerWaalsContact O-CA 3.28Å; T155-P163 WeakPolarHBondContact O-CA 3.38Å; S161-P163 WeakPolarHBondContact O-CD 3.43Å; P163-H179 PolarHBondContact O-ND1 2.9Å
164	L	97.1	Very high	96.6	Very high	12 Å²	12	37.2 Å²	37.2	6%	0.063	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148.1	173.9	-62.4	178.1	0	0	0	108.8	T155 D157 V176 I185 I222	T155-L164 HydrophobicContact CG2-CB 3.83Å; T155-L164 PolarHBondContact N-O 2.71Å; T155-L164 PolarHBondContact O-N 2.69Å; D157-L164 HydrophobicContact CB-CD1 4.09Å; D157-L164 HydrophobicContact CB-CG 4.48Å; L164-V176 HydrophobicContact CB-CG1 4.13Å; L164-V176 HydrophobicContact CD1-CG1 4.08Å; L164-I185 HydrophobicContact CD1-CD1 4.21Å; L164-I185 HydrophobicContact CD2-CD1 3.67Å; L164-I222 HydrophobicContact CD1-CD1 4.42Å
165	L	98.4	Very high	96.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	115.9	177.7	-176.7	63	0	0	0	109.1	A116 V123 L125 C152 W154 V167 I177	A116-L165 HydrophobicContact CB-CD1 4.1Å; A116-L165 HydrophobicContact CB-CD2 3.63Å; V123-L165 HydrophobicContact CG1-CD2 3.51Å; L125-L165 HydrophobicContact CD2-CD2 4.16Å; C152-L165 HydrophobicContact CB-CD1 4Å; W154-L165 HydrophobicContact CD2-CD1 3.85Å; W154-L165 HydrophobicContact CE3-CB 4.3Å; W154-L165 HydrophobicContact CE3-CD1 4.33Å; W154-L165 HydrophobicContact CG-CD1 4.08Å; W154-L165 HydrophobicContact CZ2-CD1 4.39Å; W154-L165 HydrophobicContact CZ3-CB 4.33Å; L165-V167 HydrophobicContact CD2-CG1 4.29Å; L165-V167 HydrophobicContact CG-CG1 4.03Å; L165-I177 PolarHBondContact N-O 2.84Å; L165-I177 PolarHBondContact O-N 3.42Å
166	A	98.8	Very high	96.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	134.5	169	0	0	0	0	0	109.5	C152 A153 I174 R175 L198 F200 L208	C152-A166 CarbonylContact C-O 3.58Å; C152-A166 WeakPolarHBondContact CA-O 3.39Å; A153-A166 PolarHBondContact N-O 3.01Å; A153-A166 PolarHBondContact O-N 3.17Å; A166-I174 HydrophobicContact CB-CG2 4.48Å; A166-R175 CarbonylContact C-O 3.54Å; A166-R175 WeakPolarHBondContact CA-O 3.46Å; A166-L198 HydrophobicContact CB-CD1 3.97Å; A166-F200 HydrophobicContact CB-CE2 3.64Å; A166-F200 HydrophobicContact CB-CZ 3.81Å; A166-L208 HydrophobicContact CB-CD1 4.49Å; A166-L208 HydrophobicContact CB-CD2 3.89Å
167	V	98.9	Very high	96.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	151	175.5	-56.7	0	0	0	0	110.5	V118 V123 F149 T151 C152 L165 R175 I177	V118-V167 HydrophobicContact CG1-CG1 4.02Å; V123-V167 HydrophobicContact CG1-CG1 3.93Å; V123-V167 HydrophobicContact CG2-CB 4.26Å; V123-V167 HydrophobicContact CG2-CG1 3.81Å; V123-V167 HydrophobicContact CG2-CG2 4.05Å; F149-V167 HydrophobicContact CD1-CB 4.1Å; F149-V167 HydrophobicContact CD1-CG2 3.91Å; F149-V167 HydrophobicContact CE1-CB 4.29Å; F149-V167 HydrophobicContact CE1-CG2 3.59Å; F149-V167 HydrophobicContact CE2-CG2 4.49Å; F149-V167 HydrophobicContact CZ-CG2 3.91Å; T151-V167 WeakPolarHBondContact O-CA 3.44Å; C152-V167 HydrophobicContact CB-CG1 3.82Å; L165-V167 HydrophobicContact CD2-CG1 4.29Å; L165-V167 HydrophobicContact CG-CG1 4.03Å; V167-R175 HydrophobicContact CG2-CB 3.91Å; V167-R175 PolarHBondContact N-O 3.38Å; V167-R175 PolarHBondContact O-N 2.92Å; V167-I177 HydrophobicContact CG1-CD1 4.3Å; V167-I177 HydrophobicContact CG2-CD1 3.78Å
168	A	98.9	Very high	96.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	162.5	174.4	0	0	0	0	0	111.5	Y150 T151 I173 I174 I195 L198	Y150-A168 PolarHBondContact N-O 3.3Å; T151-A168 HydrophobicContact CG2-CB 4.37Å; T151-A168 PolarHBondContact N-O 2.98Å; T151-A168 PolarHBondContact O-N 3.1Å; A168-I173 WeakPolarHBondContact CB-O 3.21Å; A168-I174 HydrophobicContact CB-CG1 4.45Å; A168-I195 HydrophobicContact CB-CB 3.72Å; A168-I195 HydrophobicContact CB-CD1 4.01Å; A168-I195 HydrophobicContact CB-CG1 4.48Å; A168-I195 HydrophobicContact CB-CG2 3.57Å; A168-L198 HydrophobicContact CB-CD1 3.82Å; A168-L198 HydrophobicContact CB-CD2 4.35Å; A168-L198 HydrophobicContact CB-CG 4.12Å
169	G	98.8	Very high	96	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	-149.2	-169.9	0	0	0	0	0	114.4	N148 R171 G172 A194 I195	N148-G169 CarbonylContact O-C 3.56Å; N148-G169 WeakPolarHBondContact O-CA 3.28Å; G169-R171 VanDerWaalsContact C-N 3.27Å; G169-R171 PolarHBondContact O-N 2.89Å; G169-G172 PolarHBondContact O-N 2.89Å; G169-A194 WeakPolarHBondContact O-CA 3.49Å; G169-A194 WeakPolarHBondContact O-CB 3.31Å; G169-I195 PolarHBondContact O-N 2.93Å
170	S	98.6	Very high	95.7	Very high	32 Å²	32	31.2 Å²	31.2	22%	0.224	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-40.9	-178.4	59.5	0	0	0	0	113.7	D146 E147 N148 G172 A194	D146-S170 PolarHBondContact O-OG 3.15Å; D146-S170 VanDerWaalsContact O-OG 3.1Å; E147-S170 PolarHBondContact OE1-N 2.88Å; N148-S170 PolarHBondContact N-OG 3.28Å; N148-S170 PolarHBondContact O-N 2.9Å; S170-G172 PolarHBondContact O-N 2.93Å; S170-G172 VanDerWaalsContact O-N 3.16Å; S170-A194 WeakPolarHBondContact O-CA 3.48Å; S170-A194 WeakPolarHBondContact O-CB 3.38Å
171	R	98.4	Very high	95.6	Very high	118 Å²	118	30.7 Å²	30.7	45%	0.445	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-9	-173.2	-56.9	-58.7	-59.5	-134.9	6.1	114.5	D144 E147 G169 I173	D144-R171 VanDerWaalsContact CG-NH1 3.33Å; D144-R171 IonicContact OD1-CZ 2.8Å; D144-R171 IonicContact OD1-NH1 3.95Å; D144-R171 PolarHBondContact OD1-NH1 2.89Å; D144-R171 WeakPolarHBondContact OD2-CD 3.47Å; D144-R171 IonicContact OD2-CZ 3.54Å; D144-R171 IonicContact OD2-NE 2.77Å; D144-R171 PolarHBondContact OD2-NE 2.88Å; D144-R171 VanDerWaalsContact OD2-NE 3.13Å; D144-R171 IonicContact OD2-NH1 2.86Å; D144-R171 PolarHBondContact OD2-NH1 2.89Å; D144-R171 IonicContact OD2-NH2 3.01Å; E147-R171 HydrophobicContact CB-CG 3.86Å; E147-R171 HydrophobicContact CG-CG 4.21Å; E147-R171 WeakPolarHBondContact OE1-CB 3.39Å; E147-R171 WeakPolarHBondContact OE1-CG 3.4Å; E147-R171 PolarHBondContact OE1-N 2.9Å; E147-R171 VanDerWaalsContact OE1-N 3.15Å; E147-R171 WeakPolarHBondContact OE2-CB 3.45Å; E147-R171 WeakPolarHBondContact OE2-CG 3.42Å; G169-R171 VanDerWaalsContact C-N 3.27Å; G169-R171 PolarHBondContact O-N 2.89Å; R171-I173 HydrophobicContact CB-CD1 4.23Å; R171-I173 HydrophobicContact CB-CG1 4.05Å; R171-I173 PolarHBondContact O-N 2.86Å
172	G	98.3	Very high	95.5	Very high	3 Å²	3	27.8 Å²	27.8	3%	0.031	14%	0.138	C	C	.	.			trans	70.2	12.9	-175.8	0	0	0	0	0	114.3	G169 S170 N193 I195	G169-G172 PolarHBondContact O-N 2.89Å; S170-G172 PolarHBondContact O-N 2.93Å; S170-G172 VanDerWaalsContact O-N 3.16Å; G172-N193 WeakPolarHBondContact CA-O 3.46Å; G172-I195 WeakPolarHBondContact O-CD1 3.37Å
173	I	98.8	Very high	95.5	Very high	36 Å²	36	29.4 Å²	29.4	19%	0.185	15%	0.146	C	C	.	.			trans	-99.2	132	179.2	-52.8	-178.2	0	0	0	108.9	A168 R171 R175 H187 V189	A168-I173 WeakPolarHBondContact CB-O 3.21Å; R171-I173 HydrophobicContact CB-CD1 4.23Å; R171-I173 HydrophobicContact CB-CG1 4.05Å; R171-I173 PolarHBondContact O-N 2.86Å; I173-R175 HydrophobicContact CG2-CG 4.04Å; I173-H187 HydrophobicContact CG2-CB 4.13Å; I173-V189 HydrophobicContact CD1-CG2 4.48Å; I173-V189 HydrophobicContact CG1-CG2 4.21Å; I173-V189 HydrophobicContact CG2-CG2 4.24Å
174	I	98.9	Very high	95.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	130.1	166.3	-54.7	176.9	0	0	0	107.9	A166 A168 H187 Y188 I195 L198 L208 W220	A166-I174 HydrophobicContact CB-CG2 4.48Å; A168-I174 HydrophobicContact CB-CG1 4.45Å; I174-H187 CarbonylContact O-C 3.57Å; I174-H187 WeakPolarHBondContact O-CA 3.34Å; I174-H187 WeakPolarHBondContact O-CB 3.47Å; I174-Y188 HydrophobicContact CB-CD2 4.03Å; I174-Y188 HydrophobicContact CG2-CD2 3.97Å; I174-Y188 PolarHBondContact N-O 2.8Å; I174-Y188 PolarHBondContact O-N 2.96Å; I174-I195 HydrophobicContact CD1-CD1 4.29Å; I174-I195 HydrophobicContact CG1-CD1 3.54Å; I174-L198 HydrophobicContact CD1-CD2 4.1Å; I174-L198 HydrophobicContact CG1-CD2 4.23Å; I174-L198 HydrophobicContact CG2-CD1 4.45Å; I174-L208 HydrophobicContact CD1-CD2 4.29Å; I174-L208 HydrophobicContact CG2-CD2 3.75Å; I174-W220 HydrophobicContact CD1-CG 4.45Å; I174-W220 HydrophobicContact CD1-CZ2 4.39Å
175	R	98.8	Very high	95.6	Very high	27 Å²	27	33.9 Å²	33.9	10%	0.102	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129.2	176.8	-57.6	172.1	-167.2	-114.4	8	108.9	D142 E147 A166 V167 I173	D142-R175 IonicContact OD1-CZ 2.99Å; D142-R175 VanDerWaalsContact OD1-CZ 3.26Å; D142-R175 IonicContact OD1-NH1 3.74Å; D142-R175 PolarHBondContact OD1-NH1 3Å; D142-R175 IonicContact OD1-NH2 3.63Å; D142-R175 PolarHBondContact OD1-NH2 3.19Å; D142-R175 WeakPolarHBondContact OD2-CD 3.23Å; D142-R175 IonicContact OD2-CZ 2.72Å; D142-R175 IonicContact OD2-NE 3.13Å; D142-R175 PolarHBondContact OD2-NE 2.76Å; D142-R175 VanDerWaalsContact OD2-NE 3.17Å; D142-R175 IonicContact OD2-NH1 3.88Å; D142-R175 PolarHBondContact OD2-NH1 2.95Å; D142-R175 IonicContact OD2-NH2 3.2Å; E147-R175 IonicContact OE2-CZ 2.77Å; E147-R175 VanDerWaalsContact OE2-CZ 3.27Å; E147-R175 IonicContact OE2-NE 3.03Å; E147-R175 PolarHBondContact OE2-NE 3.16Å; E147-R175 IonicContact OE2-NH2 3.8Å; E147-R175 PolarHBondContact OE2-NH2 3.39Å; A166-R175 CarbonylContact C-O 3.54Å; A166-R175 WeakPolarHBondContact CA-O 3.46Å; V167-R175 HydrophobicContact CG2-CB 3.91Å; V167-R175 PolarHBondContact N-O 3.38Å; V167-R175 PolarHBondContact O-N 2.92Å; I173-R175 HydrophobicContact CG2-CG 4.04Å
176	V	98.3	Very high	95.5	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	114.1	177.5	-175.5	0	0	0	0	108.3	L164 C184 I185 K186 Y188	L164-V176 HydrophobicContact CB-CG1 4.13Å; L164-V176 HydrophobicContact CD1-CG1 4.08Å; V176-C184 CarbonylContact O-C 3.53Å; V176-C184 WeakPolarHBondContact O-CA 3.46Å; V176-I185 HydrophobicContact CB-CG1 4.37Å; V176-I185 HydrophobicContact CG1-CD1 4.24Å; V176-I185 HydrophobicContact CG1-CG1 4.13Å; V176-I185 VanDerWaalsContact O-CG1 3.24Å; V176-I185 WeakPolarHBondContact O-CG1 3.45Å; V176-I185 PolarHBondContact O-N 2.73Å; V176-K186 HydrophobicContact CB-CB 4.2Å; V176-K186 HydrophobicContact CG2-CB 4.37Å; V176-K186 PolarHBondContact N-O 3.33Å; V176-Y188 HydrophobicContact CG2-CE2 3.67Å
177	I	96.9	Very high	95.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.9	-174.1	-58.6	170.3	0	0	0	109.6	V123 Y140 L165 V167 H179 M182 Q183	V123-I177 HydrophobicContact CB-CD1 4.34Å; V123-I177 HydrophobicContact CG1-CD1 4.42Å; V123-I177 HydrophobicContact CG2-CD1 3.97Å; Y140-I177 HydrophobicContact CD1-CD1 3.54Å; Y140-I177 HydrophobicContact CE1-CD1 3.83Å; Y140-I177 HydrophobicContact CG-CD1 4.02Å; L165-I177 PolarHBondContact N-O 2.84Å; L165-I177 PolarHBondContact O-N 3.42Å; V167-I177 HydrophobicContact CG1-CD1 4.3Å; V167-I177 HydrophobicContact CG2-CD1 3.78Å; I177-H179 PolarHBondContact O-N 3.49Å; I177-M182 HydrophobicContact CG2-SD 3.82Å; I177-Q183 WeakPolarHBondContact CA-O 3.25Å
178	N	92.3	Very high	95.5	Very high	34 Å²	34	43.3 Å²	43.3	18%	0.182	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	116.1	165.9	179.3	-28.5	0	0	0	109.1	I180 T181 M182 Q183 I185	N178-I180 PolarHBondContact O-N 2.83Å; N178-I180 VanDerWaalsContact O-N 3.14Å; N178-I180 PolarHBondContact OD1-N 2.79Å; N178-T181 PolarHBondContact O-N 2.93Å; N178-M182 WeakPolarHBondContact O-CA 3.25Å; N178-M182 PolarHBondContact O-N 2.85Å; N178-Q183 PolarHBondContact N-O 3.36Å; N178-I185 HydrophobicContact CB-CG2 3.92Å
179	H	85.2	Confident	95.4	Very high	41 Å²	41	47.9 Å²	47.9	19%	0.19	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.3	-172.9	83.6	-74.3	0	0	0	115	L125 W154 P163 I177	L125-H179 HydrophobicContact CD1-CB 4Å; W154-H179 HydrophobicContact CH2-CB 4.05Å; W154-H179 HydrophobicContact CZ3-CB 3.78Å; P163-H179 PolarHBondContact O-ND1 2.9Å; I177-H179 PolarHBondContact O-N 3.49Å
180	I	86.1	Confident	95.3	Very high	86 Å²	86	49.6 Å²	49.6	44%	0.441	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-33.1	179.9	-54.8	172.8	0	0	0	111.3	Q138 N178	Q138-I180 PolarHBondContact NE2-O 2.85Å; Q138-I180 PolarHBondContact OE1-O 2.93Å; N178-I180 PolarHBondContact O-N 2.83Å; N178-I180 VanDerWaalsContact O-N 3.14Å; N178-I180 PolarHBondContact OD1-N 2.79Å
181	T	89.4	Confident	95.3	Very high	63 Å²	63	48.8 Å²	48.8	39%	0.387	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-9	-174.4	62.3	0	0	0	0	114.1	N178 Q183	N178-T181 PolarHBondContact O-N 2.93Å; T181-Q183 PolarHBondContact O-N 2.88Å; T181-Q183 PolarHBondContact OG1-N 3.1Å
182	M	89.2	Confident	95.2	Very high	19 Å²	19	46.5 Å²	46.5	9%	0.094	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	35.9	-168.7	-75.8	-61.9	140.7	0	0	113.6	L125 Q138 Y140 I177 N178	L125-M182 HydrophobicContact CB-CE 4.43Å; L125-M182 HydrophobicContact CD1-CE 3.23Å; L125-M182 HydrophobicContact CD2-CE 4.46Å; L125-M182 HydrophobicContact CG-CE 3.45Å; L125-M182 VanDerWaalsContact CG-CE 3.45Å; Q138-M182 HydrophobicContact CB-CE 4.41Å; Q138-M182 HydrophobicContact CB-CG 3.66Å; Q138-M182 HydrophobicContact CG-CG 4.5Å; Y140-M182 WeakPolarHBondContact CD2-O 3.24Å; I177-M182 HydrophobicContact CG2-SD 3.82Å; N178-M182 WeakPolarHBondContact O-CA 3.25Å; N178-M182 PolarHBondContact O-N 2.85Å
183	Q	92.3	Very high	95.3	Very high	124 Å²	124	50.1 Å²	50.1	58%	0.579	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	129.9	174	-69.6	172.2	-13.4	0	0	110.2	I177 N178 T181 I185	I177-Q183 WeakPolarHBondContact CA-O 3.25Å; N178-Q183 PolarHBondContact N-O 3.36Å; T181-Q183 PolarHBondContact O-N 2.88Å; T181-Q183 PolarHBondContact OG1-N 3.1Å; Q183-I185 PolarHBondContact O-N 3.28Å; Q183-I185 VanDerWaalsContact O-N 3.1Å
184	C	95.8	Very high	95.3	Very high	44 Å²	44	48.5 Å²	48.5	30%	0.297	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	101.6	166.1	177.1	0	0	0	0	108.8	V176 K186	V176-C184 CarbonylContact O-C 3.53Å; V176-C184 WeakPolarHBondContact O-CA 3.46Å; C184-K186 PolarHBondContact SG-O 3.26Å
185	I	96.5	Very high	95.3	Very high	83 Å²	83	48.5 Å²	48.5	43%	0.426	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-26	-176.5	56.1	162.4	0	0	0	113.1	L164 V176 N178 Q183	L164-I185 HydrophobicContact CD1-CD1 4.21Å; L164-I185 HydrophobicContact CD2-CD1 3.67Å; V176-I185 HydrophobicContact CB-CG1 4.37Å; V176-I185 HydrophobicContact CG1-CD1 4.24Å; V176-I185 HydrophobicContact CG1-CG1 4.13Å; V176-I185 VanDerWaalsContact O-CG1 3.24Å; V176-I185 WeakPolarHBondContact O-CG1 3.45Å; V176-I185 PolarHBondContact O-N 2.73Å; N178-I185 HydrophobicContact CB-CG2 3.92Å; Q183-I185 PolarHBondContact O-N 3.28Å; Q183-I185 VanDerWaalsContact O-N 3.1Å
186	K	96.6	Very high	95.3	Very high	59 Å²	59	47.3 Å²	47.3	26%	0.257	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	151.7	178.7	-60.4	-169.8	173.8	-158.7	0	110	V176 C184 Y188 I222 D225	V176-K186 HydrophobicContact CB-CB 4.2Å; V176-K186 HydrophobicContact CG2-CB 4.37Å; V176-K186 PolarHBondContact N-O 3.33Å; C184-K186 PolarHBondContact SG-O 3.26Å; K186-Y188 VanDerWaalsContact CD-OH 3.24Å; K186-Y188 WeakPolarHBondContact CD-OH 3.44Å; K186-I222 PolarHBondContact NZ-O 2.96Å; K186-D225 VanDerWaalsContact CD-OD1 3.26Å; K186-D225 WeakPolarHBondContact CD-OD1 3.16Å; K186-D225 WeakPolarHBondContact CE-OD1 3.48Å; K186-D225 IonicContact NZ-OD1 3.74Å; K186-D225 PolarHBondContact NZ-OD1 3.02Å; K186-D225 IonicContact NZ-OD2 2.69Å; K186-D225 PolarHBondContact NZ-OD2 3.04Å
187	H	98.3	Very high	95.3	Very high	124 Å²	124	47.4 Å²	47.4	57%	0.574	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.2	151.8	168.9	63.8	-98.8	0	0	0	110.9	I173 I174	I173-H187 HydrophobicContact CG2-CB 4.13Å; I174-H187 CarbonylContact O-C 3.57Å; I174-H187 WeakPolarHBondContact O-CA 3.34Å; I174-H187 WeakPolarHBondContact O-CB 3.47Å
188	Y	98.8	Very high	95.4	Very high	15 Å²	15	47.4 Å²	47.4	6%	0.059	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	127.1	176.1	-46.5	-67.7	0	0	0	110.1	I174 V176 K186 W220 I222 D225	I174-Y188 HydrophobicContact CB-CD2 4.03Å; I174-Y188 HydrophobicContact CG2-CD2 3.97Å; I174-Y188 PolarHBondContact N-O 2.8Å; I174-Y188 PolarHBondContact O-N 2.96Å; V176-Y188 HydrophobicContact CG2-CE2 3.67Å; K186-Y188 VanDerWaalsContact CD-OH 3.24Å; K186-Y188 WeakPolarHBondContact CD-OH 3.44Å; Y188-W220 HydrophobicContact CG-CE3 4.32Å; Y188-I222 HydrophobicContact CE2-CB 4.23Å; Y188-I222 HydrophobicContact CE2-CG2 3.57Å; Y188-I222 WeakPolarHBondContact OH-CA 3.49Å; Y188-I222 VanDerWaalsContact OH-CB 3.28Å; Y188-I222 WeakPolarHBondContact OH-CB 3.45Å; Y188-I222 PolarHBondContact OH-O 3.19Å; Y188-D225 HydrophobicContact CE1-CB 4.25Å; Y188-D225 WeakPolarHBondContact CE1-OD1 3.5Å; Y188-D225 PolarHBondContact OH-OD1 3.28Å; Y188-D225 VanDerWaalsContact OH-OD1 3.13Å
189	V	98.4	Very high	95.7	Very high	96 Å²	96	47.4 Å²	47.4	58%	0.582	27%	0.27	S	S	*	.			trans	-113.6	142.9	173.5	-174.2	0	0	0	0	107.7	I173	I173-V189 HydrophobicContact CD1-CG2 4.48Å; I173-V189 HydrophobicContact CG1-CG2 4.21Å; I173-V189 HydrophobicContact CG2-CG2 4.24Å
190	G	96.3	Very high	96.4	Very high	36 Å²	36	46.7 Å²	46.7	37%	0.371	27%	0.266	S	S	.	.			trans	156.5	-9.8	175.9	0	0	0	0	0	115.4	R218	G190-R218 PolarHBondContact O-NE 2.75Å; G190-R218 PolarHBondContact O-NH2 2.81Å
191	H	98.2	Very high	97	Very high	15 Å²	15	43.8 Å²	43.8	7%	0.069	25%	0.251	C	S	.	.			trans	-71	146.6	153.4	-78.4	-82	0	0	0	109.6	I195 S210 S212 D214 A216 R218	H191-I195 HydrophobicContact CB-CD1 4.44Å; H191-I195 HydrophobicContact CB-CG1 4.28Å; H191-S210 PolarHBondContact CD2-OG 2.64Å; H191-S210 PolarHBondContact NE2-OG 2.7Å; H191-S212 WeakPolarHBondContact CE1-CB 3.17Å; H191-S212 WeakPolarHBondContact ND1-CB 3.16Å; H191-S212 PolarHBondContact ND1-OG 2.97Å; H191-D214 WeakPolarHBondContact CA-OD2 3.33Å; H191-D214 IonicContact CE1-OD1 3.52Å; H191-D214 IonicContact CG-OD1 2.74Å; H191-D214 IonicContact ND1-OD1 3.67Å; H191-D214 PolarHBondContact ND1-OD1 3.26Å; H191-D214 IonicContact ND1-OD2 3.67Å; H191-A216 PolarHBondContact CE1-O 2.9Å; H191-R218 PolarHBondContact CE1-NH1 3.1Å; H191-R218 VanDerWaalsContact CE1-NH1 3.27Å; H191-R218 PolarHBondContact ND1-NH1 2.82Å
192	G	97	Very high	97.4	Very high	71 Å²	71	44 Å²	44	73%	0.732	25%	0.253	S	S	*	.	S	Bend	trans	-89.6	-2.3	177.4	0	0	0	0	0	114.8	D214	G192-D214 PolarHBondContact N-OD2 2.87Å
193	N	98.5	Very high	97.7	Very high	78 Å²	78	52.1 Å²	52.1	42%	0.417	28%	0.283	S	S	.	.	S	Bend	trans	-159.1	177	-175.8	-160.4	-17.8	0	0	0	109.1	G172 S212 K213 D214	G172-N193 WeakPolarHBondContact CA-O 3.46Å; N193-S212 PolarHBondContact O-OG 2.81Å; N193-S212 VanDerWaalsContact O-OG 3.06Å; N193-K213 HydrophobicContact CB-CB 3.79Å; N193-K213 VanDerWaalsContact CG-CB 3.41Å; N193-K213 WeakPolarHBondContact ND2-CB 3.26Å; N193-D214 HydrophobicContact CB-CB 4.1Å
194	A	98.8	Very high	98	Very high	3 Å²	3	47.4 Å²	47.4	3%	0.025	26%	0.262	C	S	.	.			trans	-53.8	154.3	-174.2	0	0	0	0	0	114.7	Y150 G169 S170 S212 K213	Y150-A194 HydrophobicContact CE2-CB 3.97Å; G169-A194 WeakPolarHBondContact O-CA 3.49Å; G169-A194 WeakPolarHBondContact O-CB 3.31Å; S170-A194 WeakPolarHBondContact O-CA 3.48Å; S170-A194 WeakPolarHBondContact O-CB 3.38Å; A194-S212 WeakPolarHBondContact O-CA 3.26Å; A194-S212 VanDerWaalsContact O-CB 3.22Å; A194-S212 WeakPolarHBondContact O-CB 3.47Å; A194-S212 PolarHBondContact O-OG 3.19Å; A194-K213 HydrophobicContact CB-CD 3.87Å; A194-K213 HydrophobicContact CB-CG 4.12Å; A194-K213 PolarHBondContact O-N 3.44Å
195	I	98.9	Very high	98.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	121.7	-179.5	-68.4	168.2	0	0	0	109.9	T151 A168 G169 G172 I174 H191 L198 V211	T151-I195 HydrophobicContact CG2-CG2 4.48Å; A168-I195 HydrophobicContact CB-CB 3.72Å; A168-I195 HydrophobicContact CB-CD1 4.01Å; A168-I195 HydrophobicContact CB-CG1 4.48Å; A168-I195 HydrophobicContact CB-CG2 3.57Å; G169-I195 PolarHBondContact O-N 2.93Å; G172-I195 WeakPolarHBondContact O-CD1 3.37Å; I174-I195 HydrophobicContact CD1-CD1 4.29Å; I174-I195 HydrophobicContact CG1-CD1 3.54Å; H191-I195 HydrophobicContact CB-CD1 4.44Å; H191-I195 HydrophobicContact CB-CG1 4.28Å; I195-L198 HydrophobicContact CG2-CD2 4.03Å; I195-L198 HydrophobicContact CG2-CG 4.33Å; I195-V211 CarbonylContact C-O 3.59Å; I195-V211 WeakPolarHBondContact CA-O 3.41Å; I195-V211 WeakPolarHBondContact CG2-O 3.27Å
196	N	98.9	Very high	98.2	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-29.4	-169.9	-67.7	-30.8	0	0	0	113.5	V211 V241 Y367	N196-V211 HydrophobicContact CB-CG2 4.33Å; N196-V211 PolarHBondContact N-O 3.06Å; N196-V241 PolarHBondContact ND2-O 2.84Å; N196-Y367 HydrophobicContact CB-CE2 4.48Å; N196-Y367 PolarHBondContact O-OH 2.96Å
197	E	98.9	Very high	98.3	Very high	3 Å²	3	39.6 Å²	39.6	1%	0.014	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	142.2	176.7	-174.2	78.2	-35.7	0	0	111.1	T151 K199 V211 R315 R369	T151-E197 PolarHBondContact OG1-OE1 2.98Å; E197-K199 VanDerWaalsContact CD-CE 3.48Å; E197-K199 HydrophobicContact CG-CG 4.49Å; E197-K199 WeakPolarHBondContact OE2-CE 3.39Å; E197-K199 IonicContact OE2-NZ 2.81Å; E197-K199 PolarHBondContact OE2-NZ 2.69Å; E197-V211 HydrophobicContact CB-CG2 3.79Å; E197-V211 PolarHBondContact O-N 2.79Å; E197-V211 VanDerWaalsContact O-N 3.12Å; E197-R315 IonicContact OE2-CZ 3.83Å; E197-R315 IonicContact OE2-NH1 3.37Å; E197-R315 IonicContact OE2-NH2 2.71Å; E197-R315 PolarHBondContact OE2-NH2 2.89Å; E197-R369 IonicContact OE1-CZ 2.96Å; E197-R369 IonicContact OE1-NH1 3.26Å; E197-R369 PolarHBondContact OE1-NH1 3.43Å
198	L	98.9	Very high	98.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139.2	170.8	-71.2	178.1	0	0	0	111.1	T151 A153 A166 A168 I174 I195 L208 L209	T151-L198 HydrophobicContact CG2-CB 4.13Å; T151-L198 HydrophobicContact CG2-CD1 4.24Å; T151-L198 HydrophobicContact CG2-CG 3.76Å; T151-L198 PolarHBondContact OG1-N 3.27Å; A153-L198 HydrophobicContact CB-CB 3.98Å; A166-L198 HydrophobicContact CB-CD1 3.97Å; A168-L198 HydrophobicContact CB-CD1 3.82Å; A168-L198 HydrophobicContact CB-CD2 4.35Å; A168-L198 HydrophobicContact CB-CG 4.12Å; I174-L198 HydrophobicContact CD1-CD2 4.1Å; I174-L198 HydrophobicContact CG1-CD2 4.23Å; I174-L198 HydrophobicContact CG2-CD1 4.45Å; I195-L198 HydrophobicContact CG2-CD2 4.03Å; I195-L198 HydrophobicContact CG2-CG 4.33Å; L198-L208 HydrophobicContact CB-CD1 4.28Å; L198-L208 HydrophobicContact CD2-CD1 4.16Å; L198-L208 HydrophobicContact CD2-CD2 4.47Å; L198-L208 HydrophobicContact CD2-CG 4.42Å; L198-L209 WeakPolarHBondContact CA-O 3.22Å
199	K	98.9	Very high	98.4	Very high	35 Å²	35	33 Å²	33	15%	0.152	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	130.1	172.5	-64.1	-67.4	140.2	-180	0	111.3	E197 L209 A244 F246	E197-K199 VanDerWaalsContact CD-CE 3.48Å; E197-K199 HydrophobicContact CG-CG 4.49Å; E197-K199 WeakPolarHBondContact OE2-CE 3.39Å; E197-K199 IonicContact OE2-NZ 2.81Å; E197-K199 PolarHBondContact OE2-NZ 2.69Å; K199-L209 HydrophobicContact CB-CB 4.39Å; K199-L209 PolarHBondContact N-O 2.93Å; K199-L209 WeakPolarHBondContact O-CB 3.48Å; K199-L209 PolarHBondContact O-N 2.86Å; K199-A244 WeakPolarHBondContact CG-O 3.35Å; K199-F246 HydrophobicContact CB-CD2 4.03Å; K199-F246 HydrophobicContact CB-CE2 3.98Å
200	F	98.9	Very high	98.4	Very high	26 Å²	26	28.4 Å²	28.4	11%	0.114	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	147.1	163.7	-78.7	-78.7	0	0	0	110.8	A153 W154 T155 A166 P205 L207 L208 I222	A153-F200 HydrophobicContact CB-CD2 3.74Å; A153-F200 HydrophobicContact CB-CE2 4.06Å; A153-F200 WeakPolarHBondContact O-CE2 3.48Å; W154-F200 WeakPolarHBondContact O-CD2 3.33Å; T155-F200 HydrophobicContact CG2-CD1 4.13Å; T155-F200 HydrophobicContact CG2-CD2 4.23Å; T155-F200 HydrophobicContact CG2-CE1 3.56Å; T155-F200 HydrophobicContact CG2-CE2 3.68Å; T155-F200 HydrophobicContact CG2-CG 4.43Å; T155-F200 HydrophobicContact CG2-CZ 3.31Å; A166-F200 HydrophobicContact CB-CE2 3.64Å; A166-F200 HydrophobicContact CB-CZ 3.81Å; F200-P205 WeakPolarHBondContact CD1-O 3.49Å; F200-P205 VanDerWaalsContact CE1-O 3.29Å; F200-P205 WeakPolarHBondContact CE1-O 3.47Å; F200-L207 WeakPolarHBondContact CA-O 3.22Å; F200-L208 HydrophobicContact CD1-CB 4.04Å; F200-L208 HydrophobicContact CD1-CD1 4.12Å; F200-L208 HydrophobicContact CD2-CD1 4.01Å; F200-L208 HydrophobicContact CE1-CB 3.66Å; F200-L208 HydrophobicContact CE1-CD1 3.95Å; F200-L208 HydrophobicContact CE1-CD2 4.29Å; F200-L208 HydrophobicContact CE1-CG 4.18Å; F200-L208 HydrophobicContact CE2-CD1 3.83Å; F200-L208 HydrophobicContact CG-CD1 4.15Å; F200-L208 HydrophobicContact CZ-CB 4.18Å; F200-L208 HydrophobicContact CZ-CD1 3.79Å; F200-L208 HydrophobicContact CZ-CD2 3.97Å; F200-L208 HydrophobicContact CZ-CG 4.2Å; F200-I222 HydrophobicContact CE1-CD1 3.87Å; F200-I222 HydrophobicContact CE1-CG1 4.29Å; F200-I222 HydrophobicContact CZ-CD1 4.11Å
201	H	98.8	Very high	98.5	Very high	25 Å²	25	26.8 Å²	26.8	12%	0.116	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	131.8	177.1	177	-100.6	0	0	0	110.7	R203 D204 L207 F246 G250	H201-R203 PolarHBondContact ND1-N 3.28Å; H201-R203 PolarHBondContact O-N 2.87Å; H201-D204 HydrophobicContact CB-CB 4.49Å; H201-D204 VanDerWaalsContact ND1-CB 3.26Å; H201-D204 WeakPolarHBondContact ND1-CB 3.48Å; H201-D204 PolarHBondContact ND1-N 3.22Å; H201-D204 PolarHBondContact O-N 2.9Å; H201-L207 HydrophobicContact CB-CB 3.67Å; H201-L207 WeakPolarHBondContact CB-O 3.4Å; H201-L207 PolarHBondContact N-O 2.74Å; H201-F246 HydrophobicContact CB-CE1 4.35Å; H201-F246 HydrophobicContact CB-CE2 4.11Å; H201-F246 HydrophobicContact CB-CZ 3.97Å; H201-F246 AromaticContact CD2-CD1 3.96Å; H201-F246 AromaticContact CD2-CE1 3.78Å; H201-G250 PolarHBondContact CD2-O 2.92Å; H201-G250 WeakPolarHBondContact NE2-CA 3.37Å; H201-G250 PolarHBondContact NE2-O 2.8Å
202	P	97.7	Very high	98.6	Very high	66 Å²	66	26.1 Å²	26.1	43%	0.429	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-11.4	-167.9	27.1	-36.1	0	0	0	114.6	F246 D247	P202-F246 HydrophobicContact CG-CB 4.28Å; P202-D247 WeakPolarHBondContact CG-O 3.43Å
203	R	97.4	Very high	98.6	Very high	190 Å²	190	24.5 Å²	24.5	72%	0.717	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120	-6.8	-179.2	-57.5	-59.8	-60.4	-166.6	-1.9	114.3	H201 L249	H201-R203 PolarHBondContact ND1-N 3.28Å; H201-R203 PolarHBondContact O-N 2.87Å; R203-L249 WeakPolarHBondContact CG-O 2.99Å
204	D	98.1	Very high	98.6	Very high	26 Å²	26	22.6 Å²	22.6	14%	0.139	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	105.7	-178.6	-173.9	-24.7	0	0	0	108.9	H201 N206 L207 Y280	H201-D204 HydrophobicContact CB-CB 4.49Å; H201-D204 VanDerWaalsContact ND1-CB 3.26Å; H201-D204 WeakPolarHBondContact ND1-CB 3.48Å; H201-D204 PolarHBondContact ND1-N 3.22Å; H201-D204 PolarHBondContact O-N 2.9Å; D204-N206 PolarHBondContact O-N 3.29Å; D204-N206 VanDerWaalsContact O-N 3.16Å; D204-N206 WeakPolarHBondContact OD1-CB 3.31Å; D204-N206 PolarHBondContact OD1-N 2.83Å; D204-N206 PolarHBondContact OD1-ND2 3.05Å; D204-L207 HydrophobicContact CB-CB 4.3Å; D204-L207 HydrophobicContact CB-CD1 4.04Å; D204-L207 HydrophobicContact CB-CG 4.14Å; D204-L207 PolarHBondContact O-N 2.89Å; D204-Y280 PolarHBondContact OD1-OH 2.63Å; D204-Y280 PolarHBondContact OD2-OH 3.11Å
205	P	98.3	Very high	98.6	Very high	12 Å²	12	26.4 Å²	26.4	8%	0.078	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	-15.1	-176.6	31	-38.3	0	0	0	113.5	T155 Y156 T158 F200	T155-P205 VanDerWaalsContact OG1-CA 3.23Å; T155-P205 WeakPolarHBondContact OG1-CA 3.29Å; T155-P205 WeakPolarHBondContact OG1-CB 3.35Å; T155-P205 PolarHBondContact OG1-O 2.76Å; Y156-P205 HydrophobicContact CD1-CB 4.14Å; Y156-P205 HydrophobicContact CD2-CB 4.34Å; Y156-P205 HydrophobicContact CD2-CG 4.32Å; Y156-P205 HydrophobicContact CE1-CB 3.88Å; Y156-P205 HydrophobicContact CE1-CG 4.29Å; Y156-P205 HydrophobicContact CE2-CB 4.1Å; Y156-P205 HydrophobicContact CE2-CG 3.76Å; Y156-P205 HydrophobicContact CG-CB 4.36Å; T158-P205 HydrophobicContact CG2-CG 3.46Å; T158-P205 VanDerWaalsContact CG2-CG 3.46Å; F200-P205 WeakPolarHBondContact CD1-O 3.49Å; F200-P205 VanDerWaalsContact CE1-O 3.29Å; F200-P205 WeakPolarHBondContact CE1-O 3.47Å
206	N	98.5	Very high	98.6	Very high	7 Å²	7	26.8 Å²	26.8	4%	0.037	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-18.1	-179.6	-55	-54.8	0	0	0	113.1	T158 D204 L208 N221 I222 Q223 Y280	T158-N206 WeakPolarHBondContact CG2-ND2 3.48Å; D204-N206 PolarHBondContact O-N 3.29Å; D204-N206 VanDerWaalsContact O-N 3.16Å; D204-N206 WeakPolarHBondContact OD1-CB 3.31Å; D204-N206 PolarHBondContact OD1-N 2.83Å; D204-N206 PolarHBondContact OD1-ND2 3.05Å; N206-L208 PolarHBondContact O-N 3.18Å; N206-N221 WeakPolarHBondContact O-CA 3.41Å; N206-I222 HydrophobicContact CB-CG1 4.31Å; N206-I222 WeakPolarHBondContact O-CG1 3.28Å; N206-I222 PolarHBondContact O-N 3.31Å; N206-Q223 HydrophobicContact CB-CB 4.09Å; N206-Q223 PolarHBondContact ND2-OE1 3.04Å; N206-Y280 HydrophobicContact CB-CE1 4.46Å; N206-Y280 WeakPolarHBondContact CB-OH 3.46Å; N206-Y280 PolarHBondContact ND2-OH 3.4Å
207	L	98.8	Very high	98.6	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	106.6	-178.2	-71.6	-178.6	0	0	0	110.7	F200 H201 D204 L219 W220 N221 V228 I276	F200-L207 WeakPolarHBondContact CA-O 3.22Å; H201-L207 HydrophobicContact CB-CB 3.67Å; H201-L207 WeakPolarHBondContact CB-O 3.4Å; H201-L207 PolarHBondContact N-O 2.74Å; D204-L207 HydrophobicContact CB-CB 4.3Å; D204-L207 HydrophobicContact CB-CD1 4.04Å; D204-L207 HydrophobicContact CB-CG 4.14Å; D204-L207 PolarHBondContact O-N 2.89Å; L207-L219 HydrophobicContact CB-CD1 4.22Å; L207-L219 HydrophobicContact CD2-CG 4.42Å; L207-W220 WeakPolarHBondContact CA-O 3.38Å; L207-N221 HydrophobicContact CD2-CB 4.33Å; L207-V228 HydrophobicContact CD2-CG2 4.17Å; L207-I276 HydrophobicContact CD1-CD1 4.05Å; L207-I276 HydrophobicContact CD1-CG1 4.24Å; L207-I276 HydrophobicContact CD1-CG2 4.03Å
208	L	98.9	Very high	98.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	123.2	179.3	179.8	55.3	0	0	0	110.4	A166 I174 L198 F200 N206 L219 W220 I222	A166-L208 HydrophobicContact CB-CD1 4.49Å; A166-L208 HydrophobicContact CB-CD2 3.89Å; I174-L208 HydrophobicContact CD1-CD2 4.29Å; I174-L208 HydrophobicContact CG2-CD2 3.75Å; L198-L208 HydrophobicContact CB-CD1 4.28Å; L198-L208 HydrophobicContact CD2-CD1 4.16Å; L198-L208 HydrophobicContact CD2-CD2 4.47Å; L198-L208 HydrophobicContact CD2-CG 4.42Å; F200-L208 HydrophobicContact CD1-CB 4.04Å; F200-L208 HydrophobicContact CD1-CD1 4.12Å; F200-L208 HydrophobicContact CD2-CD1 4.01Å; F200-L208 HydrophobicContact CE1-CB 3.66Å; F200-L208 HydrophobicContact CE1-CD1 3.95Å; F200-L208 HydrophobicContact CE1-CD2 4.29Å; F200-L208 HydrophobicContact CE1-CG 4.18Å; F200-L208 HydrophobicContact CE2-CD1 3.83Å; F200-L208 HydrophobicContact CG-CD1 4.15Å; F200-L208 HydrophobicContact CZ-CB 4.18Å; F200-L208 HydrophobicContact CZ-CD1 3.79Å; F200-L208 HydrophobicContact CZ-CD2 3.97Å; F200-L208 HydrophobicContact CZ-CG 4.2Å; N206-L208 PolarHBondContact O-N 3.18Å; L208-L219 CarbonylContact O-C 3.49Å; L208-L219 WeakPolarHBondContact O-CA 3.21Å; L208-W220 HydrophobicContact CB-CB 4.46Å; L208-W220 PolarHBondContact N-O 2.88Å; L208-W220 PolarHBondContact O-N 2.77Å; L208-I222 HydrophobicContact CB-CG2 3.95Å; L208-I222 HydrophobicContact CD2-CG2 4.14Å
209	L	98.9	Very high	98.6	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	133.1	169	-176.5	69.1	0	0	0	109.9	L198 K199 L217 R218 A244 F246 I253	L198-L209 WeakPolarHBondContact CA-O 3.22Å; K199-L209 HydrophobicContact CB-CB 4.39Å; K199-L209 PolarHBondContact N-O 2.93Å; K199-L209 WeakPolarHBondContact O-CB 3.48Å; K199-L209 PolarHBondContact O-N 2.86Å; L209-L217 HydrophobicContact CD1-CB 4.09Å; L209-L217 HydrophobicContact CD1-CD2 4.21Å; L209-L217 HydrophobicContact CD2-CD2 4.36Å; L209-R218 WeakPolarHBondContact CA-O 3.43Å; L209-A244 HydrophobicContact CD2-CB 3.9Å; L209-F246 HydrophobicContact CB-CE2 3.77Å; L209-F246 HydrophobicContact CB-CZ 3.74Å; L209-F246 HydrophobicContact CD2-CE2 4.2Å; L209-F246 HydrophobicContact CD2-CZ 4.18Å; L209-I253 HydrophobicContact CD1-CD1 4.01Å; L209-I253 HydrophobicContact CD2-CD1 4.04Å; L209-I253 HydrophobicContact CD2-CG1 4.25Å; L209-I253 HydrophobicContact CD2-CG2 3.73Å
210	S	98.9	Very high	98.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.5	170.1	57.9	0	0	0	0	111	H191 L217 R218 W220	H191-S210 PolarHBondContact CD2-OG 2.64Å; H191-S210 PolarHBondContact NE2-OG 2.7Å; S210-L217 CarbonylContact O-C 3.31Å; S210-L217 VanDerWaalsContact O-CA 3.29Å; S210-L217 WeakPolarHBondContact O-CA 3.33Å; S210-R218 PolarHBondContact N-O 2.84Å; S210-R218 PolarHBondContact O-N 2.84Å; S210-R218 PolarHBondContact OG-O 2.79Å; S210-W220 PolarHBondContact OG-NE1 2.9Å
211	V	98.8	Very high	98.6	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.012	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	147.9	177.2	-43.1	0	0	0	0	110.4	I195 N196 E197 L217 V241 A244	I195-V211 CarbonylContact C-O 3.59Å; I195-V211 WeakPolarHBondContact CA-O 3.41Å; I195-V211 WeakPolarHBondContact CG2-O 3.27Å; N196-V211 HydrophobicContact CB-CG2 4.33Å; N196-V211 PolarHBondContact N-O 3.06Å; E197-V211 HydrophobicContact CB-CG2 3.79Å; E197-V211 PolarHBondContact O-N 2.79Å; E197-V211 VanDerWaalsContact O-N 3.12Å; V211-L217 HydrophobicContact CB-CD2 4.48Å; V211-L217 HydrophobicContact CB-CG 4.22Å; V211-L217 HydrophobicContact CG1-CB 4.34Å; V211-L217 HydrophobicContact CG1-CD2 3.48Å; V211-L217 VanDerWaalsContact CG1-CD2 3.48Å; V211-L217 HydrophobicContact CG1-CG 3.68Å; V211-V241 HydrophobicContact CB-CB 4.02Å; V211-V241 HydrophobicContact CB-CG1 3.77Å; V211-V241 HydrophobicContact CG1-CG1 4.29Å; V211-V241 HydrophobicContact CG2-CB 4.46Å; V211-V241 HydrophobicContact CG2-CG1 4.22Å; V211-A244 HydrophobicContact CG1-CB 3.61Å
212	S	98.9	Very high	98.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	160.5	-162.4	173.1	0	0	0	0	114.4	H191 N193 A194 D214 H215 A216 V241	H191-S212 WeakPolarHBondContact CE1-CB 3.17Å; H191-S212 WeakPolarHBondContact ND1-CB 3.16Å; H191-S212 PolarHBondContact ND1-OG 2.97Å; N193-S212 PolarHBondContact O-OG 2.81Å; N193-S212 VanDerWaalsContact O-OG 3.06Å; A194-S212 WeakPolarHBondContact O-CA 3.26Å; A194-S212 VanDerWaalsContact O-CB 3.22Å; A194-S212 WeakPolarHBondContact O-CB 3.47Å; A194-S212 PolarHBondContact O-OG 3.19Å; S212-D214 WeakPolarHBondContact CB-OD1 3.49Å; S212-D214 PolarHBondContact O-N 3.26Å; S212-D214 VanDerWaalsContact O-N 3.17Å; S212-D214 PolarHBondContact OG-N 3.2Å; S212-D214 PolarHBondContact OG-OD1 2.97Å; S212-H215 PolarHBondContact O-N 2.88Å; S212-A216 PolarHBondContact N-O 2.91Å; S212-V241 PolarHBondContact O-N 3.34Å
213	K	98.8	Very high	98.6	Very high	38 Å²	38	25.5 Å²	25.5	17%	0.165	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-14.3	162.4	-60.3	-166.7	167.7	-91.4	0	114	N193 A194 H215 E240	N193-K213 HydrophobicContact CB-CB 3.79Å; N193-K213 VanDerWaalsContact CG-CB 3.41Å; N193-K213 WeakPolarHBondContact ND2-CB 3.26Å; A194-K213 HydrophobicContact CB-CD 3.87Å; A194-K213 HydrophobicContact CB-CG 4.12Å; A194-K213 PolarHBondContact O-N 3.44Å; K213-H215 PolarHBondContact O-CD2 2.9Å; K213-H215 PolarHBondContact O-N 2.95Å; K213-E240 HydrophobicContact CB-CB 4.49Å; K213-E240 HydrophobicContact CB-CG 4.01Å; K213-E240 VanDerWaalsContact CD-OE1 3.26Å; K213-E240 WeakPolarHBondContact CD-OE1 3.37Å; K213-E240 HydrophobicContact CG-CB 4.45Å; K213-E240 VanDerWaalsContact CG-CD 3.46Å; K213-E240 HydrophobicContact CG-CG 4.07Å; K213-E240 WeakPolarHBondContact CG-OE1 3.42Å; K213-E240 WeakPolarHBondContact CG-OE2 3.37Å; K213-E240 IonicContact NZ-OE1 3.89Å; K213-E240 PolarHBondContact NZ-OE1 2.87Å; K213-E240 IonicContact NZ-OE2 2.8Å; K213-E240 PolarHBondContact NZ-OE2 3.02Å
214	D	98.6	Very high	98.6	Very high	37 Å²	37	17.8 Å²	17.8	20%	0.198	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	23	175.9	89.4	-24.7	0	0	0	115.2	H191 G192 N193 S212 A216 R218	H191-D214 WeakPolarHBondContact CA-OD2 3.33Å; H191-D214 IonicContact CE1-OD1 3.52Å; H191-D214 IonicContact CG-OD1 2.74Å; H191-D214 IonicContact ND1-OD1 3.67Å; H191-D214 PolarHBondContact ND1-OD1 3.26Å; H191-D214 IonicContact ND1-OD2 3.67Å; G192-D214 PolarHBondContact N-OD2 2.87Å; N193-D214 HydrophobicContact CB-CB 4.1Å; S212-D214 WeakPolarHBondContact CB-OD1 3.49Å; S212-D214 PolarHBondContact O-N 3.26Å; S212-D214 VanDerWaalsContact O-N 3.17Å; S212-D214 PolarHBondContact OG-N 3.2Å; S212-D214 PolarHBondContact OG-OD1 2.97Å; D214-A216 PolarHBondContact O-N 2.88Å; D214-R218 VanDerWaalsContact CG-NH1 3.32Å; D214-R218 IonicContact OD1-CZ 3.82Å; D214-R218 IonicContact OD1-NH1 3.13Å; D214-R218 PolarHBondContact OD1-NH1 3.17Å; D214-R218 IonicContact OD2-CZ 3.81Å; D214-R218 IonicContact OD2-NH1 2.93Å; D214-R218 PolarHBondContact OD2-NH1 2.85Å; D214-R218 IonicContact OD2-NH2 3.08Å; D214-R218 PolarHBondContact OD2-NH2 2.68Å
215	H	98.8	Very high	98.6	Very high	83 Å²	83	20.6 Å²	20.6	38%	0.384	10%	0.103	S	C	.	.	S	Bend	trans	60.8	10.1	177	-45.1	171.2	0	0	0	115.2	S212 K213 D239	S212-H215 PolarHBondContact O-N 2.88Å; K213-H215 PolarHBondContact O-CD2 2.9Å; K213-H215 PolarHBondContact O-N 2.95Å; H215-D239 WeakPolarHBondContact CA-O 3.45Å; H215-D239 PolarHBondContact CD2-O 2.84Å
216	A	98.8	Very high	98.6	Very high	9 Å²	9	20.3 Å²	20.3	7%	0.074	10%	0.101	C	C	.	.			trans	-130.6	155.5	-174.4	0	0	0	0	0	113	H191 S212 D214 I230 F231	H191-A216 PolarHBondContact CE1-O 2.9Å; S212-A216 PolarHBondContact N-O 2.91Å; D214-A216 PolarHBondContact O-N 2.88Å; A216-I230 HydrophobicContact CB-CG2 4.13Å; A216-F231 VanDerWaalsContact CA-O 3.3Å; A216-F231 WeakPolarHBondContact CA-O 3.36Å; A216-F231 WeakPolarHBondContact CB-O 3.42Å
217	L	98.9	Very high	98.7	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	147.3	166.2	-54.9	84.5	0	0	0	109.3	L209 S210 V211 I230 F231 V241 A244 I253 W265	L209-L217 HydrophobicContact CD1-CB 4.09Å; L209-L217 HydrophobicContact CD1-CD2 4.21Å; L209-L217 HydrophobicContact CD2-CD2 4.36Å; S210-L217 CarbonylContact O-C 3.31Å; S210-L217 VanDerWaalsContact O-CA 3.29Å; S210-L217 WeakPolarHBondContact O-CA 3.33Å; V211-L217 HydrophobicContact CB-CD2 4.48Å; V211-L217 HydrophobicContact CB-CG 4.22Å; V211-L217 HydrophobicContact CG1-CB 4.34Å; V211-L217 HydrophobicContact CG1-CD2 3.48Å; V211-L217 VanDerWaalsContact CG1-CD2 3.48Å; V211-L217 HydrophobicContact CG1-CG 3.68Å; L217-I230 CarbonylContact O-C 3.57Å; L217-I230 WeakPolarHBondContact O-CA 3.23Å; L217-F231 HydrophobicContact CB-CB 4.17Å; L217-F231 HydrophobicContact CB-CD2 4.11Å; L217-F231 HydrophobicContact CD1-CB 4.33Å; L217-F231 PolarHBondContact N-O 2.87Å; L217-F231 PolarHBondContact O-N 3.4Å; L217-V241 HydrophobicContact CD1-CG1 4.08Å; L217-V241 HydrophobicContact CD1-CG2 4.28Å; L217-V241 HydrophobicContact CG-CG1 4.21Å; L217-A244 HydrophobicContact CD2-CB 3.84Å; L217-I253 HydrophobicContact CD2-CG2 4.35Å; L217-W265 HydrophobicContact CD1-CZ2 4.37Å
218	R	98.9	Very high	98.7	Very high	25 Å²	25	21.6 Å²	21.6	9%	0.094	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	133.8	175.7	-71	177.7	179.1	65.9	-14.6	110.4	G190 H191 L209 S210 D214 W220 L227 A229 I230	G190-R218 PolarHBondContact O-NE 2.75Å; G190-R218 PolarHBondContact O-NH2 2.81Å; H191-R218 PolarHBondContact CE1-NH1 3.1Å; H191-R218 VanDerWaalsContact CE1-NH1 3.27Å; H191-R218 PolarHBondContact ND1-NH1 2.82Å; L209-R218 WeakPolarHBondContact CA-O 3.43Å; S210-R218 PolarHBondContact N-O 2.84Å; S210-R218 PolarHBondContact O-N 2.84Å; S210-R218 PolarHBondContact OG-O 2.79Å; D214-R218 VanDerWaalsContact CG-NH1 3.32Å; D214-R218 IonicContact OD1-CZ 3.82Å; D214-R218 IonicContact OD1-NH1 3.13Å; D214-R218 PolarHBondContact OD1-NH1 3.17Å; D214-R218 IonicContact OD2-CZ 3.81Å; D214-R218 IonicContact OD2-NH1 2.93Å; D214-R218 PolarHBondContact OD2-NH1 2.85Å; D214-R218 IonicContact OD2-NH2 3.08Å; D214-R218 PolarHBondContact OD2-NH2 2.68Å; R218-W220 HydrophobicContact CB-CZ2 3.98Å; R218-W220 HydrophobicContact CG-CZ2 4.43Å; R218-L227 HydrophobicContact CB-CD1 3.71Å; R218-L227 HydrophobicContact CG-CD1 3.96Å; R218-A229 WeakPolarHBondContact CA-O 3.37Å; R218-I230 HydrophobicContact CG-CG1 4.32Å; R218-I230 HydrophobicContact CG-CG2 4.25Å
219	L	98.9	Very high	98.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	121.4	174.2	-178.4	70.2	0	0	0	108.8	L207 L208 V228 A229 F231 F246 M272	L207-L219 HydrophobicContact CB-CD1 4.22Å; L207-L219 HydrophobicContact CD2-CG 4.42Å; L208-L219 CarbonylContact O-C 3.49Å; L208-L219 WeakPolarHBondContact O-CA 3.21Å; L219-V228 HydrophobicContact CB-CB 4.48Å; L219-V228 HydrophobicContact CD2-CB 4.29Å; L219-V228 HydrophobicContact CD2-CG1 4.32Å; L219-V228 HydrophobicContact CG-CB 4.26Å; L219-V228 WeakPolarHBondContact O-CA 3.1Å; L219-V228 WeakPolarHBondContact O-CB 3.37Å; L219-V228 PolarHBondContact O-N 2.62Å; L219-A229 HydrophobicContact CB-CB 4.45Å; L219-A229 PolarHBondContact N-O 3.03Å; L219-A229 PolarHBondContact O-N 3.42Å; L219-F231 HydrophobicContact CB-CE2 3.94Å; L219-F246 HydrophobicContact CD1-CZ 4.27Å; L219-M272 HydrophobicContact CD2-CE 3.84Å
220	W	98.9	Very high	98.6	Very high	14 Å²	14	23.5 Å²	23.5	5%	0.053	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	145.8	-176.3	-49.1	86.2	0	0	0	110.3	I174 Y188 L207 L208 S210 R218 T226 L227	I174-W220 HydrophobicContact CD1-CG 4.45Å; I174-W220 HydrophobicContact CD1-CZ2 4.39Å; Y188-W220 HydrophobicContact CG-CE3 4.32Å; L207-W220 WeakPolarHBondContact CA-O 3.38Å; L208-W220 HydrophobicContact CB-CB 4.46Å; L208-W220 PolarHBondContact N-O 2.88Å; L208-W220 PolarHBondContact O-N 2.77Å; S210-W220 PolarHBondContact OG-NE1 2.9Å; R218-W220 HydrophobicContact CB-CZ2 3.98Å; R218-W220 HydrophobicContact CG-CZ2 4.43Å; W220-T226 CarbonylContact C-O 3.57Å; W220-T226 WeakPolarHBondContact CA-O 3.33Å; W220-L227 HydrophobicContact CD2-CD1 3.93Å; W220-L227 HydrophobicContact CE3-CB 3.9Å; W220-L227 HydrophobicContact CE3-CD1 3.92Å; W220-L227 HydrophobicContact CE3-CG 4.45Å; W220-L227 HydrophobicContact CH2-CD1 4.17Å; W220-L227 HydrophobicContact CH2-CD2 4.46Å; W220-L227 HydrophobicContact CZ2-CD1 4.16Å; W220-L227 HydrophobicContact CZ3-CB 3.87Å; W220-L227 HydrophobicContact CZ3-CD1 4.04Å; W220-L227 HydrophobicContact CZ3-CD2 4.44Å; W220-L227 HydrophobicContact CZ3-CG 4.33Å
221	N	98.7	Very high	98.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	107	164.7	-178.8	-23.4	0	0	0	108.1	N206 L207 Q223 T224 D225 T226 V228 S279 Y280	N206-N221 WeakPolarHBondContact O-CA 3.41Å; L207-N221 HydrophobicContact CD2-CB 4.33Å; N221-Q223 VanDerWaalsContact C-N 3.26Å; N221-Q223 PolarHBondContact O-N 2.95Å; N221-Q223 WeakPolarHBondContact OD1-CB 3.41Å; N221-Q223 PolarHBondContact OD1-N 2.94Å; N221-T224 PolarHBondContact OD1-N 3.49Å; N221-D225 WeakPolarHBondContact O-CA 3.25Å; N221-D225 PolarHBondContact O-N 3.28Å; N221-T226 PolarHBondContact N-O 3.4Å; N221-T226 PolarHBondContact O-N 3.42Å; N221-V228 HydrophobicContact CB-CG2 3.85Å; N221-S279 PolarHBondContact ND2-OG 3.13Å; N221-Y280 WeakPolarHBondContact ND2-CD1 3.24Å; N221-Y280 WeakPolarHBondContact ND2-CE1 3.42Å
222	I	98.4	Very high	98.6	Very high	10 Å²	10	23.9 Å²	23.9	5%	0.051	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-5.7	-176	70.7	151.6	0	0	0	113.9	T155 L164 K186 Y188 F200 N206 L208	T155-I222 HydrophobicContact CG2-CD1 3.95Å; L164-I222 HydrophobicContact CD1-CD1 4.42Å; K186-I222 PolarHBondContact NZ-O 2.96Å; Y188-I222 HydrophobicContact CE2-CB 4.23Å; Y188-I222 HydrophobicContact CE2-CG2 3.57Å; Y188-I222 WeakPolarHBondContact OH-CA 3.49Å; Y188-I222 VanDerWaalsContact OH-CB 3.28Å; Y188-I222 WeakPolarHBondContact OH-CB 3.45Å; Y188-I222 PolarHBondContact OH-O 3.19Å; F200-I222 HydrophobicContact CE1-CD1 3.87Å; F200-I222 HydrophobicContact CE1-CG1 4.29Å; F200-I222 HydrophobicContact CZ-CD1 4.11Å; N206-I222 HydrophobicContact CB-CG1 4.31Å; N206-I222 WeakPolarHBondContact O-CG1 3.28Å; N206-I222 PolarHBondContact O-N 3.31Å; L208-I222 HydrophobicContact CB-CG2 3.95Å; L208-I222 HydrophobicContact CD2-CG2 4.14Å
223	Q	97.6	Very high	98.4	Very high	78 Å²	78	26 Å²	26	36%	0.364	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-40.4	172.7	-175	170.2	-22.5	0	0	111.3	T158 N206 N221 Y280	T158-Q223 PolarHBondContact OG1-OE1 3.14Å; T158-Q223 VanDerWaalsContact OG1-OE1 3.12Å; N206-Q223 HydrophobicContact CB-CB 4.09Å; N206-Q223 PolarHBondContact ND2-OE1 3.04Å; N221-Q223 VanDerWaalsContact C-N 3.26Å; N221-Q223 PolarHBondContact O-N 2.95Å; N221-Q223 WeakPolarHBondContact OD1-CB 3.41Å; N221-Q223 PolarHBondContact OD1-N 2.94Å; Q223-Y280 HydrophobicContact CB-CE1 4.32Å
224	T	97.8	Very high	98.4	Very high	28 Å²	28	28.6 Å²	28.6	17%	0.172	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	1.6	-177.4	62.6	0	0	0	0	114.9	N221 T226 S279	N221-T224 PolarHBondContact OD1-N 3.49Å; T224-T226 PolarHBondContact OG1-OG1 3.13Å; T224-S279 VanDerWaalsContact CB-O 3.27Å; T224-S279 WeakPolarHBondContact CB-O 3.29Å; T224-S279 VanDerWaalsContact CG2-O 3.29Å; T224-S279 WeakPolarHBondContact CG2-O 3.44Å; T224-S279 PolarHBondContact OG1-O 3.14Å
225	D	98.2	Very high	98.3	Very high	85 Å²	85	30.5 Å²	30.5	46%	0.455	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	42.6	176.2	-54.8	-40.8	0	0	0	113	K186 Y188 N221	K186-D225 VanDerWaalsContact CD-OD1 3.26Å; K186-D225 WeakPolarHBondContact CD-OD1 3.16Å; K186-D225 WeakPolarHBondContact CE-OD1 3.48Å; K186-D225 IonicContact NZ-OD1 3.74Å; K186-D225 PolarHBondContact NZ-OD1 3.02Å; K186-D225 IonicContact NZ-OD2 2.69Å; K186-D225 PolarHBondContact NZ-OD2 3.04Å; Y188-D225 HydrophobicContact CE1-CB 4.25Å; Y188-D225 WeakPolarHBondContact CE1-OD1 3.5Å; Y188-D225 PolarHBondContact OH-OD1 3.28Å; Y188-D225 VanDerWaalsContact OH-OD1 3.13Å; N221-D225 WeakPolarHBondContact O-CA 3.25Å; N221-D225 PolarHBondContact O-N 3.28Å
226	T	98.4	Very high	98.3	Very high	6 Å²	6	26.5 Å²	26.5	4%	0.037	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	142.6	-175.6	52.3	0	0	0	0	113.6	W220 N221 T224 V228 S279 Y282 F291	W220-T226 CarbonylContact C-O 3.57Å; W220-T226 WeakPolarHBondContact CA-O 3.33Å; N221-T226 PolarHBondContact N-O 3.4Å; N221-T226 PolarHBondContact O-N 3.42Å; T224-T226 PolarHBondContact OG1-OG1 3.13Å; T226-V228 PolarHBondContact O-N 3.4Å; T226-S279 WeakPolarHBondContact OG1-CB 3.34Å; T226-Y282 HydrophobicContact CG2-CD1 3.27Å; T226-Y282 HydrophobicContact CG2-CE1 3.74Å; T226-Y282 HydrophobicContact CG2-CG 3.92Å; T226-F291 HydrophobicContact CG2-CB 3.77Å; T226-F291 HydrophobicContact CG2-CD1 4.29Å; T226-F291 HydrophobicContact CG2-CD2 4.24Å; T226-F291 HydrophobicContact CG2-CG 3.82Å
227	L	98.8	Very high	98.3	Very high	37 Å²	37	26.4 Å²	26.4	19%	0.194	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	102.6	168.1	177.6	57.8	0	0	0	109.1	R218 W220 A229 I230 F291 S293	R218-L227 HydrophobicContact CB-CD1 3.71Å; R218-L227 HydrophobicContact CG-CD1 3.96Å; W220-L227 HydrophobicContact CD2-CD1 3.93Å; W220-L227 HydrophobicContact CE3-CB 3.9Å; W220-L227 HydrophobicContact CE3-CD1 3.92Å; W220-L227 HydrophobicContact CE3-CG 4.45Å; W220-L227 HydrophobicContact CH2-CD1 4.17Å; W220-L227 HydrophobicContact CH2-CD2 4.46Å; W220-L227 HydrophobicContact CZ2-CD1 4.16Å; W220-L227 HydrophobicContact CZ3-CB 3.87Å; W220-L227 HydrophobicContact CZ3-CD1 4.04Å; W220-L227 HydrophobicContact CZ3-CD2 4.44Å; W220-L227 HydrophobicContact CZ3-CG 4.33Å; L227-A229 WeakPolarHBondContact CD1-O 3.48Å; L227-I230 HydrophobicContact CD1-CG1 4.38Å; L227-I230 HydrophobicContact CD2-CD1 3.93Å; L227-I230 HydrophobicContact CD2-CG1 3.9Å; L227-I230 HydrophobicContact CG-CG1 4.28Å; L227-F291 WeakPolarHBondContact O-CD1 3.14Å; L227-F291 VanDerWaalsContact O-CE1 3.27Å; L227-F291 WeakPolarHBondContact O-CE1 3.45Å; L227-S293 WeakPolarHBondContact O-CA 3.49Å; L227-S293 WeakPolarHBondContact O-CB 3.41Å
228	V	98.8	Very high	98.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	-49.2	-176.9	-171	0	0	0	0	111.1	L207 L219 N221 T226 A275 I276 Q294	L207-V228 HydrophobicContact CD2-CG2 4.17Å; L219-V228 HydrophobicContact CB-CB 4.48Å; L219-V228 HydrophobicContact CD2-CB 4.29Å; L219-V228 HydrophobicContact CD2-CG1 4.32Å; L219-V228 HydrophobicContact CG-CB 4.26Å; L219-V228 WeakPolarHBondContact O-CA 3.1Å; L219-V228 WeakPolarHBondContact O-CB 3.37Å; L219-V228 PolarHBondContact O-N 2.62Å; N221-V228 HydrophobicContact CB-CG2 3.85Å; T226-V228 PolarHBondContact O-N 3.4Å; V228-A275 HydrophobicContact CG1-CB 4.05Å; V228-I276 HydrophobicContact CG1-CG1 3.92Å; V228-Q294 PolarHBondContact O-N 2.85Å
229	A	98.8	Very high	98.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	155.6	-176.5	0	0	0	0	0	113.5	R218 L219 L227 F231 M272 Q294 I296	R218-A229 WeakPolarHBondContact CA-O 3.37Å; L219-A229 HydrophobicContact CB-CB 4.45Å; L219-A229 PolarHBondContact N-O 3.03Å; L219-A229 PolarHBondContact O-N 3.42Å; L227-A229 WeakPolarHBondContact CD1-O 3.48Å; A229-F231 HydrophobicContact CB-CE2 3.87Å; A229-F231 HydrophobicContact CB-CZ 3.99Å; A229-M272 HydrophobicContact CB-CE 3.7Å; A229-M272 HydrophobicContact CB-SD 3.93Å; A229-Q294 CarbonylContact C-O 3.49Å; A229-Q294 VanDerWaalsContact CA-O 3.24Å; A229-Q294 WeakPolarHBondContact CA-O 3.35Å; A229-Q294 HydrophobicContact CB-CB 4.1Å; A229-I296 HydrophobicContact CB-CG1 4.46Å
230	I	98.9	Very high	98.3	Very high	40 Å²	40	37.7 Å²	37.7	21%	0.205	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.5	170.3	-47.3	178	0	0	0	107.3	A216 L217 R218 L227 Q294 I296	A216-I230 HydrophobicContact CB-CG2 4.13Å; L217-I230 CarbonylContact O-C 3.57Å; L217-I230 WeakPolarHBondContact O-CA 3.23Å; R218-I230 HydrophobicContact CG-CG1 4.32Å; R218-I230 HydrophobicContact CG-CG2 4.25Å; L227-I230 HydrophobicContact CD1-CG1 4.38Å; L227-I230 HydrophobicContact CD2-CD1 3.93Å; L227-I230 HydrophobicContact CD2-CG1 3.9Å; L227-I230 HydrophobicContact CG-CG1 4.28Å; I230-Q294 PolarHBondContact N-O 3.2Å; I230-I296 PolarHBondContact O-N 3.38Å
231	F	98.8	Very high	98.3	Very high	2 Å²	2	37 Å²	37	1%	0.009	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	118.6	176.3	-49.7	-101.5	0	0	0	108.3	A216 L217 L219 A229 I253 W265 I267 M272 I296	A216-F231 VanDerWaalsContact CA-O 3.3Å; A216-F231 WeakPolarHBondContact CA-O 3.36Å; A216-F231 WeakPolarHBondContact CB-O 3.42Å; L217-F231 HydrophobicContact CB-CB 4.17Å; L217-F231 HydrophobicContact CB-CD2 4.11Å; L217-F231 HydrophobicContact CD1-CB 4.33Å; L217-F231 PolarHBondContact N-O 2.87Å; L217-F231 PolarHBondContact O-N 3.4Å; L219-F231 HydrophobicContact CB-CE2 3.94Å; A229-F231 HydrophobicContact CB-CE2 3.87Å; A229-F231 HydrophobicContact CB-CZ 3.99Å; F231-I253 HydrophobicContact CZ-CD1 4.33Å; F231-W265 HydrophobicContact CB-CD2 4Å; F231-W265 HydrophobicContact CB-CE3 3.94Å; F231-W265 HydrophobicContact CB-CH2 4.08Å; F231-W265 HydrophobicContact CB-CZ2 4.18Å; F231-W265 HydrophobicContact CB-CZ3 3.98Å; F231-W265 HydrophobicContact CD1-CB 3.88Å; F231-W265 AromaticContact CD1-CD2 3.83Å; F231-W265 HydrophobicContact CD1-CD2 3.83Å; F231-W265 AromaticContact CD1-CE3 3.67Å; F231-W265 HydrophobicContact CD1-CE3 3.67Å; F231-W265 AromaticContact CD1-CG 3.96Å; F231-W265 HydrophobicContact CD1-CG 3.96Å; F231-W265 HydrophobicContact CD1-CZ3 4.4Å; F231-W265 HydrophobicContact CE1-CB 4Å; F231-W265 HydrophobicContact CG-CD2 4.28Å; F231-W265 HydrophobicContact CG-CE3 4.28Å; F231-I267 HydrophobicContact CE1-CG2 4.08Å; F231-I267 HydrophobicContact CZ-CG2 3.84Å; F231-M272 HydrophobicContact CE1-CE 4.45Å; F231-M272 HydrophobicContact CE1-SD 4.38Å; F231-M272 HydrophobicContact CZ-CE 3.82Å; F231-M272 HydrophobicContact CZ-SD 4.28Å; F231-I296 WeakPolarHBondContact CA-O 3.41Å; F231-I296 HydrophobicContact CD1-CB 3.64Å; F231-I296 HydrophobicContact CD1-CG1 3.85Å; F231-I296 HydrophobicContact CD1-CG2 3.75Å; F231-I296 HydrophobicContact CE1-CB 4.16Å; F231-I296 HydrophobicContact CE1-CG1 3.86Å; F231-I296 HydrophobicContact CE1-CG2 4.23Å; F231-I296 HydrophobicContact CG-CB 4.25Å
232	G	97.6	Very high	98.3	Very high	8 Å²	8	37.1 Å²	37.1	8%	0.082	20%	0.196	C	C	.	.			trans	150.9	173	-169.2	0	0	0	0	0	112.6	I296 H297	G232-I296 PolarHBondContact N-O 2.92Å; G232-H297 WeakPolarHBondContact O-CA 3.41Å; G232-H297 PolarHBondContact O-ND1 3.18Å
233	G	95.9	Very high	98.3	Very high	46 Å²	46	36.6 Å²	36.6	47%	0.474	19%	0.194	S	C	.	.	S	Bend	trans	109.5	-147.4	-172.2	0	0	0	0	0	111.6	E235 G236	G233-E235 PolarHBondContact O-N 3.43Å; G233-G236 PolarHBondContact O-N 3.2Å
234	V	97	Very high	98.3	Very high	92 Å²	92	33 Å²	33	56%	0.558	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-44.2	-164	62.9	0	0	0	0	115.2	H297 F298	V234-H297 HydrophobicContact CG1-CB 4.37Å; V234-F298 HydrophobicContact CG1-CE1 3.74Å; V234-F298 HydrophobicContact CG1-CZ 3.77Å
235	E	97.8	Very high	98.4	Very high	76 Å²	76	32.7 Å²	32.7	36%	0.355	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	20.4	172.8	-59.7	-53.4	157.2	0	0	113.4	G233 R238 K263 H297 F298 P299	G233-E235 PolarHBondContact O-N 3.43Å; E235-R238 IonicContact OE1-NH2 2.76Å; E235-R238 IonicContact OE2-CZ 3.49Å; E235-R238 IonicContact OE2-NH2 3.38Å; E235-R238 PolarHBondContact OE2-NH2 2.94Å; E235-K263 PolarHBondContact O-NZ 3.06Å; E235-H297 PolarHBondContact N-O 3.05Å; E235-F298 HydrophobicContact CB-CD1 3.97Å; E235-F298 HydrophobicContact CB-CE1 4.49Å; E235-F298 HydrophobicContact CG-CD1 3.87Å; E235-F298 HydrophobicContact CG-CE1 4Å; E235-P299 VanDerWaalsContact O-CD 3.22Å; E235-P299 WeakPolarHBondContact O-CD 3.42Å
236	G	98.4	Very high	98.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-67.8	-169.5	167.6	0	0	0	0	0	113.3	G233 K263	G233-G236 PolarHBondContact O-N 3.2Å; G236-K263 VanDerWaalsContact C-CE 3.45Å; G236-K263 WeakPolarHBondContact O-CE 3.4Å; G236-K263 PolarHBondContact O-NZ 2.82Å
237	H	98.8	Very high	98.4	Very high	7 Å²	7	29.5 Å²	29.5	3%	0.032	16%	0.156	C	C	.	.			trans	-64.6	146.9	164.3	-75.8	-71.1	0	0	0	109.6	V241 S255 D259 S261	H237-V241 HydrophobicContact CB-CG2 3.81Å; H237-S255 PolarHBondContact NE2-OG 3.4Å; H237-D259 WeakPolarHBondContact CA-OD2 3.4Å; H237-D259 WeakPolarHBondContact CB-OD2 3.41Å; H237-D259 IonicContact CE1-OD1 2.78Å; H237-D259 IonicContact CG-OD2 2.64Å; H237-D259 IonicContact ND1-OD1 3.51Å; H237-D259 PolarHBondContact ND1-OD1 2.88Å; H237-D259 VanDerWaalsContact ND1-OD1 3.13Å; H237-D259 IonicContact ND1-OD2 3.87Å; H237-D259 PolarHBondContact ND1-OD2 2.84Å; H237-D259 VanDerWaalsContact ND1-OD2 3.08Å; H237-S261 PolarHBondContact CE1-OG 2.83Å; H237-S261 VanDerWaalsContact CE1-OG 3.23Å; H237-S261 PolarHBondContact ND1-OG 2.85Å; H237-S261 VanDerWaalsContact ND1-OG 3.13Å
238	R	98.6	Very high	98.3	Very high	161 Å²	161	33.5 Å²	33.5	61%	0.608	18%	0.177	S	C	*	.	S	Bend	trans	-107.5	2.8	-177.2	-60.3	-173.5	-178.4	-176.5	2.2	113	E235 D259	E235-R238 IonicContact OE1-NH2 2.76Å; E235-R238 IonicContact OE2-CZ 3.49Å; E235-R238 IonicContact OE2-NH2 3.38Å; E235-R238 PolarHBondContact OE2-NH2 2.94Å; R238-D259 HydrophobicContact CB-CB 4.49Å; R238-D259 PolarHBondContact N-OD2 2.84Å
239	D	98.6	Very high	98.2	Very high	69 Å²	69	38.1 Å²	38.1	37%	0.369	20%	0.202	S	C	.	.	S	Bend	trans	-155.5	-177.3	-175.3	-152.6	-40.9	0	0	0	107.9	H215 V241 M258 D259	H215-D239 WeakPolarHBondContact CA-O 3.45Å; H215-D239 PolarHBondContact CD2-O 2.84Å; D239-V241 PolarHBondContact O-N 3.19Å; D239-M258 HydrophobicContact CB-CB 3.85Å; D239-M258 VanDerWaalsContact CG-CB 3.43Å; D239-M258 WeakPolarHBondContact OD1-CB 3.47Å; D239-D259 HydrophobicContact CB-CB 3.85Å
240	E	98.7	Very high	98.1	Very high	33 Å²	33	38.2 Å²	38.2	15%	0.154	20%	0.203	C	C	.	.			trans	-55	130.9	-175.6	-53	-169.6	166.3	0	0	113.3	K213 L242 G257 M258	K213-E240 HydrophobicContact CB-CB 4.49Å; K213-E240 HydrophobicContact CB-CG 4.01Å; K213-E240 VanDerWaalsContact CD-OE1 3.26Å; K213-E240 WeakPolarHBondContact CD-OE1 3.37Å; K213-E240 HydrophobicContact CG-CB 4.45Å; K213-E240 VanDerWaalsContact CG-CD 3.46Å; K213-E240 HydrophobicContact CG-CG 4.07Å; K213-E240 WeakPolarHBondContact CG-OE1 3.42Å; K213-E240 WeakPolarHBondContact CG-OE2 3.37Å; K213-E240 IonicContact NZ-OE1 3.89Å; K213-E240 PolarHBondContact NZ-OE1 2.87Å; K213-E240 IonicContact NZ-OE2 2.8Å; K213-E240 PolarHBondContact NZ-OE2 3.02Å; E240-L242 HydrophobicContact CB-CD2 4.35Å; E240-G257 CarbonylContact O-C 3.54Å; E240-G257 WeakPolarHBondContact O-CA 3.45Å; E240-M258 HydrophobicContact CB-CB 4.33Å; E240-M258 HydrophobicContact CB-CG 3.81Å; E240-M258 HydrophobicContact CG-CG 4.25Å; E240-M258 PolarHBondContact O-N 2.73Å
241	V	98.9	Very high	98.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	119.3	171.5	-163.2	0	0	0	0	108.4	N196 V211 S212 L217 H237 D239 C256	N196-V241 PolarHBondContact ND2-O 2.84Å; V211-V241 HydrophobicContact CB-CB 4.02Å; V211-V241 HydrophobicContact CB-CG1 3.77Å; V211-V241 HydrophobicContact CG1-CG1 4.29Å; V211-V241 HydrophobicContact CG2-CB 4.46Å; V211-V241 HydrophobicContact CG2-CG1 4.22Å; S212-V241 PolarHBondContact O-N 3.34Å; L217-V241 HydrophobicContact CD1-CG1 4.08Å; L217-V241 HydrophobicContact CD1-CG2 4.28Å; L217-V241 HydrophobicContact CG-CG1 4.21Å; H237-V241 HydrophobicContact CB-CG2 3.81Å; D239-V241 PolarHBondContact O-N 3.19Å; V241-C256 WeakPolarHBondContact CG1-O 3.31Å
242	L	98.9	Very high	98	Very high	1 Å²	1	40 Å²	40	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-36.1	-170.7	-63.5	179.1	0	0	0	112.5	E240 C256 M258 Y310 D312 W366	E240-L242 HydrophobicContact CB-CD2 4.35Å; L242-C256 PolarHBondContact N-O 2.72Å; L242-M258 HydrophobicContact CD1-CG 4.06Å; L242-M258 HydrophobicContact CD1-SD 3.88Å; L242-M258 HydrophobicContact CD2-CE 4.31Å; L242-M258 HydrophobicContact CD2-CG 4.14Å; L242-M258 HydrophobicContact CD2-SD 4.48Å; L242-M258 HydrophobicContact CG-CG 4.22Å; L242-Y310 HydrophobicContact CD1-CD2 4.35Å; L242-D312 HydrophobicContact CD1-CB 3.97Å; L242-W366 HydrophobicContact CD2-CZ2 3.57Å
243	S	98.9	Very high	98.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	156.5	-177.4	-158.8	0	0	0	0	112.1	S255 C256	S243-S255 WeakPolarHBondContact O-CA 3.36Å; S243-C256 PolarHBondContact N-O 3.47Å; S243-C256 PolarHBondContact O-N 2.95Å
244	A	98.9	Very high	98.2	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	165.4	166.1	0	0	0	0	0	111.3	K199 L209 V211 L217 I253 M254 R315	K199-A244 WeakPolarHBondContact CG-O 3.35Å; L209-A244 HydrophobicContact CD2-CB 3.9Å; V211-A244 HydrophobicContact CG1-CB 3.61Å; L217-A244 HydrophobicContact CD2-CB 3.84Å; A244-I253 HydrophobicContact CB-CG2 4.16Å; A244-M254 CarbonylContact C-O 3.46Å; A244-M254 WeakPolarHBondContact CA-O 3.33Å; A244-M254 WeakPolarHBondContact CB-O 3.43Å; A244-R315 PolarHBondContact O-NH1 3.04Å
245	D	98.9	Very high	98.3	Very high	23 Å²	23	33 Å²	33	12%	0.123	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	143.2	177.8	-149.8	47.7	0	0	0	111.3	I253 M254 R315 W316	D245-I253 WeakPolarHBondContact O-CA 3.24Å; D245-M254 PolarHBondContact N-O 3.48Å; D245-M254 PolarHBondContact O-N 3.35Å; D245-R315 VanDerWaalsContact OD1-CD 3.27Å; D245-R315 WeakPolarHBondContact OD1-CD 2.98Å; D245-R315 IonicContact OD1-CZ 3.61Å; D245-R315 IonicContact OD1-NE 2.89Å; D245-R315 IonicContact OD1-NH1 2.8Å; D245-R315 PolarHBondContact OD1-NH1 3.07Å; D245-R315 WeakPolarHBondContact OD2-CA 3.27Å; D245-R315 VanDerWaalsContact OD2-CD 3.3Å; D245-R315 WeakPolarHBondContact OD2-CD 3.13Å; D245-W316 PolarHBondContact O-NE1 2.78Å; D245-W316 VanDerWaalsContact O-NE1 3.17Å; D245-W316 PolarHBondContact OD2-N 2.93Å
246	F	98.8	Very high	98.4	Very high	15 Å²	15	29.4 Å²	29.4	7%	0.066	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	147.3	166.8	-69.9	-78.1	0	0	0	109.8	K199 H201 P202 L209 L219 I253 I267 W316	K199-F246 HydrophobicContact CB-CD2 4.03Å; K199-F246 HydrophobicContact CB-CE2 3.98Å; H201-F246 HydrophobicContact CB-CE1 4.35Å; H201-F246 HydrophobicContact CB-CE2 4.11Å; H201-F246 HydrophobicContact CB-CZ 3.97Å; H201-F246 AromaticContact CD2-CD1 3.96Å; H201-F246 AromaticContact CD2-CE1 3.78Å; P202-F246 HydrophobicContact CG-CB 4.28Å; L209-F246 HydrophobicContact CB-CE2 3.77Å; L209-F246 HydrophobicContact CB-CZ 3.74Å; L209-F246 HydrophobicContact CD2-CE2 4.2Å; L209-F246 HydrophobicContact CD2-CZ 4.18Å; L219-F246 HydrophobicContact CD1-CZ 4.27Å; F246-I253 HydrophobicContact CD1-CD1 4.33Å; F246-I253 HydrophobicContact CD1-CG1 3.58Å; F246-I253 HydrophobicContact CE1-CD1 3.75Å; F246-I253 HydrophobicContact CE1-CG1 3.53Å; F246-I253 HydrophobicContact CG-CG1 4.49Å; F246-I253 HydrophobicContact CZ-CD1 4.4Å; F246-I253 HydrophobicContact CZ-CG1 4.42Å; F246-I267 HydrophobicContact CD1-CD1 4.25Å; F246-I267 HydrophobicContact CE1-CD1 3.69Å; F246-W316 VanDerWaalsContact O-CD1 3.24Å
247	D	98.4	Very high	98.4	Very high	8 Å²	8	29.4 Å²	29.4	4%	0.043	14%	0.14	C	C	.	.			trans	-67.9	168.2	164	76.7	-29	0	0	0	111	P202 L249 G250 E251 K252 W316	P202-D247 WeakPolarHBondContact CG-O 3.43Å; D247-L249 PolarHBondContact O-N 2.68Å; D247-G250 PolarHBondContact O-N 3.33Å; D247-G250 WeakPolarHBondContact OD1-CA 3.34Å; D247-G250 PolarHBondContact OD1-N 3.05Å; D247-E251 PolarHBondContact OD1-N 2.87Å; D247-K252 HydrophobicContact CB-CG 3.83Å; D247-K252 PolarHBondContact N-O 3.1Å; D247-K252 PolarHBondContact OD1-N 2.98Å; D247-K252 VanDerWaalsContact OD1-N 3.07Å; D247-K252 WeakPolarHBondContact OD2-CE 3.45Å; D247-K252 VanDerWaalsContact OD2-CG 3.22Å; D247-K252 WeakPolarHBondContact OD2-CG 3.24Å; D247-K252 IonicContact OD2-NZ 3.8Å; D247-K252 PolarHBondContact OD2-NZ 2.89Å; D247-W316 HydrophobicContact CB-CD2 3.93Å; D247-W316 HydrophobicContact CB-CE3 4.45Å; D247-W316 HydrophobicContact CB-CG 3.97Å; D247-W316 VanDerWaalsContact N-CD1 3.29Å
248	L	96.3	Very high	98.4	Very high	121 Å²	121	31.3 Å²	31.3	63%	0.634	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-23.2	-170	-170.1	63.5	0	0	0	114.1
249	L	95.6	Very high	98.4	Very high	98 Å²	98	24.4 Å²	24.4	51%	0.513	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-16.8	176.9	-61	-178.8	0	0	0	113.5	R203 D247 E251	R203-L249 WeakPolarHBondContact CG-O 2.99Å; D247-L249 PolarHBondContact O-N 2.68Å; L249-E251 HydrophobicContact CB-CG 3.98Å
250	G	97.7	Very high	98.4	Very high	2 Å²	2	23.8 Å²	23.8	2%	0.021	12%	0.119	C	C	.	.	S	Bend	trans	79.3	18.8	-174.2	0	0	0	0	0	113.8	H201 D247 I267	H201-G250 PolarHBondContact CD2-O 2.92Å; H201-G250 WeakPolarHBondContact NE2-CA 3.37Å; H201-G250 PolarHBondContact NE2-O 2.8Å; D247-G250 PolarHBondContact O-N 3.33Å; D247-G250 WeakPolarHBondContact OD1-CA 3.34Å; D247-G250 PolarHBondContact OD1-N 3.05Å; G250-I267 WeakPolarHBondContact O-CD1 3.32Å; G250-I267 WeakPolarHBondContact O-CG1 3.39Å
251	E	98.2	Very high	98.4	Very high	73 Å²	73	22.3 Å²	22.3	34%	0.341	11%	0.113	S	C	.	.	S	Bend	trans	-81.7	-28	-179.3	-69	-162.9	-144.7	0	0	112.6	D247 L249 I267 N268	D247-E251 PolarHBondContact OD1-N 2.87Å; L249-E251 HydrophobicContact CB-CG 3.98Å; E251-I267 WeakPolarHBondContact O-CG1 3.2Å; E251-I267 PolarHBondContact O-N 3.28Å; E251-N268 HydrophobicContact CB-CB 3.85Å; E251-N268 HydrophobicContact CG-CB 3.99Å; E251-N268 PolarHBondContact O-N 3.45Å; E251-N268 PolarHBondContact OE2-ND2 3.01Å
252	K	98	Very high	98.4	Very high	5 Å²	5	22.3 Å²	22.3	2%	0.022	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	144.8	-175.3	45.2	-175	178.8	-73.6	0	112.2	D247 L264 W265 W316 I342 D343	D247-K252 HydrophobicContact CB-CG 3.83Å; D247-K252 PolarHBondContact N-O 3.1Å; D247-K252 PolarHBondContact OD1-N 2.98Å; D247-K252 VanDerWaalsContact OD1-N 3.07Å; D247-K252 WeakPolarHBondContact OD2-CE 3.45Å; D247-K252 VanDerWaalsContact OD2-CG 3.22Å; D247-K252 WeakPolarHBondContact OD2-CG 3.24Å; D247-K252 IonicContact OD2-NZ 3.8Å; D247-K252 PolarHBondContact OD2-NZ 2.89Å; K252-L264 HydrophobicContact CB-CD1 3.98Å; K252-L264 HydrophobicContact CD-CD1 4.32Å; K252-W265 WeakPolarHBondContact CA-O 3.25Å; K252-W316 HydrophobicContact CB-CZ2 4.39Å; K252-W316 HydrophobicContact CD-CH2 3.81Å; K252-W316 HydrophobicContact CD-CZ2 4.14Å; K252-W316 HydrophobicContact CD-CZ3 4.44Å; K252-W316 HydrophobicContact CG-CH2 4.21Å; K252-W316 HydrophobicContact CG-CZ2 4.02Å; K252-I342 HydrophobicContact CD-CG1 4.29Å; K252-D343 WeakPolarHBondContact CD-OD1 3.34Å; K252-D343 IonicContact NZ-OD1 3.94Å; K252-D343 PolarHBondContact NZ-OD1 3.17Å; K252-D343 IonicContact NZ-OD2 2.74Å; K252-D343 PolarHBondContact NZ-OD2 3.01Å
253	I	98.9	Very high	98.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	136.8	176.8	-60.5	163.3	0	0	0	108.3	L209 L217 F231 A244 D245 F246 L264 W265 I267	L209-I253 HydrophobicContact CD1-CD1 4.01Å; L209-I253 HydrophobicContact CD2-CD1 4.04Å; L209-I253 HydrophobicContact CD2-CG1 4.25Å; L209-I253 HydrophobicContact CD2-CG2 3.73Å; L217-I253 HydrophobicContact CD2-CG2 4.35Å; F231-I253 HydrophobicContact CZ-CD1 4.33Å; A244-I253 HydrophobicContact CB-CG2 4.16Å; D245-I253 WeakPolarHBondContact O-CA 3.24Å; F246-I253 HydrophobicContact CD1-CD1 4.33Å; F246-I253 HydrophobicContact CD1-CG1 3.58Å; F246-I253 HydrophobicContact CE1-CD1 3.75Å; F246-I253 HydrophobicContact CE1-CG1 3.53Å; F246-I253 HydrophobicContact CG-CG1 4.49Å; F246-I253 HydrophobicContact CZ-CD1 4.4Å; F246-I253 HydrophobicContact CZ-CG1 4.42Å; I253-L264 CarbonylContact O-C 3.52Å; I253-L264 WeakPolarHBondContact O-CA 3.43Å; I253-W265 HydrophobicContact CB-CB 4.3Å; I253-W265 PolarHBondContact N-O 3.25Å; I253-W265 PolarHBondContact O-N 3.17Å; I253-I267 HydrophobicContact CD1-CG2 3.88Å
254	M	98.9	Very high	98.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.7	162.8	-173.7	62.2	65.4	0	0	108.6	A244 D245 L262 K263 L264 V314 W316 I321 W333	A244-M254 CarbonylContact C-O 3.46Å; A244-M254 WeakPolarHBondContact CA-O 3.33Å; A244-M254 WeakPolarHBondContact CB-O 3.43Å; D245-M254 PolarHBondContact N-O 3.48Å; D245-M254 PolarHBondContact O-N 3.35Å; M254-L262 HydrophobicContact SD-CB 4.02Å; M254-K263 WeakPolarHBondContact CA-O 3.28Å; M254-K263 VanDerWaalsContact SD-O 3.33Å; M254-L264 HydrophobicContact CE-CB 4.04Å; M254-L264 HydrophobicContact CE-CD1 3.99Å; M254-V314 HydrophobicContact CB-CG2 4.35Å; M254-V314 HydrophobicContact CG-CG2 3.76Å; M254-W316 HydrophobicContact CB-CZ2 3.81Å; M254-W316 HydrophobicContact CE-CH2 4.18Å; M254-W316 HydrophobicContact CE-CZ2 4.19Å; M254-I321 HydrophobicContact CE-CD1 3.92Å; M254-I321 HydrophobicContact CE-CG1 3.97Å; M254-I321 HydrophobicContact CG-CG1 4.28Å; M254-I321 HydrophobicContact CG-CG2 4.29Å; M254-W333 HydrophobicContact CE-CH2 4.32Å
255	S	98.9	Very high	98.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	154.5	177.6	69.1	0	0	0	0	112	H237 S243 L262 K263 W265	H237-S255 PolarHBondContact NE2-OG 3.4Å; S243-S255 WeakPolarHBondContact O-CA 3.36Å; S255-L262 CarbonylContact O-C 3.58Å; S255-L262 VanDerWaalsContact O-CA 3.28Å; S255-L262 WeakPolarHBondContact O-CA 3.13Å; S255-K263 PolarHBondContact N-O 2.9Å; S255-K263 PolarHBondContact O-N 2.99Å; S255-K263 PolarHBondContact OG-O 2.87Å; S255-W265 PolarHBondContact OG-NE1 2.86Å
256	C	98.9	Very high	98.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	160.1	179	66.1	0	0	0	0	112.7	V241 L242 S243 S261 L262 V311 V314	V241-C256 WeakPolarHBondContact CG1-O 3.31Å; L242-C256 PolarHBondContact N-O 2.72Å; S243-C256 PolarHBondContact N-O 3.47Å; S243-C256 PolarHBondContact O-N 2.95Å; C256-S261 WeakPolarHBondContact CA-O 3.44Å; C256-L262 HydrophobicContact CB-CD2 3.99Å; C256-L262 HydrophobicContact CB-CG 3.85Å; C256-V311 HydrophobicContact CB-CB 3.84Å; C256-V311 HydrophobicContact CB-CG1 3.63Å; C256-V311 PolarHBondContact SG-O 2.9Å; C256-V314 HydrophobicContact CB-CB 4.46Å; C256-V314 HydrophobicContact CB-CG1 4.43Å; C256-V314 VanDerWaalsContact SG-CG1 3.54Å
257	G	98.4	Very high	98.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	-169.7	-170.9	0	0	0	0	0	116.9	E240 D259 H260 V311	E240-G257 CarbonylContact O-C 3.54Å; E240-G257 WeakPolarHBondContact O-CA 3.45Å; G257-D259 PolarHBondContact O-N 2.82Å; G257-H260 PolarHBondContact O-N 3.35Å; G257-V311 PolarHBondContact O-N 3.12Å
258	M	98.7	Very high	98.2	Very high	48 Å²	48	24.7 Å²	24.7	24%	0.236	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-21.6	176.3	-72.5	-63.8	-156	0	0	113	D239 E240 L242 H260 Y310 W366	D239-M258 HydrophobicContact CB-CB 3.85Å; D239-M258 VanDerWaalsContact CG-CB 3.43Å; D239-M258 WeakPolarHBondContact OD1-CB 3.47Å; E240-M258 HydrophobicContact CB-CB 4.33Å; E240-M258 HydrophobicContact CB-CG 3.81Å; E240-M258 HydrophobicContact CG-CG 4.25Å; E240-M258 PolarHBondContact O-N 2.73Å; L242-M258 HydrophobicContact CD1-CG 4.06Å; L242-M258 HydrophobicContact CD1-SD 3.88Å; L242-M258 HydrophobicContact CD2-CE 4.31Å; L242-M258 HydrophobicContact CD2-CG 4.14Å; L242-M258 HydrophobicContact CD2-SD 4.48Å; L242-M258 HydrophobicContact CG-CG 4.22Å; M258-H260 PolarHBondContact O-CD2 2.93Å; M258-H260 PolarHBondContact O-N 3.47Å; M258-Y310 VanDerWaalsContact SD-CB 3.55Å; M258-Y310 HydrophobicContact SD-CG 4.25Å; M258-W366 HydrophobicContact CE-CD2 4.09Å; M258-W366 HydrophobicContact CE-CG 4.36Å; M258-W366 HydrophobicContact CE-CZ2 3.83Å
259	D	98.4	Very high	98.2	Very high	16 Å²	16	21 Å²	21	9%	0.086	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	9.9	176.6	66.5	10.5	0	0	0	114.3	H237 R238 D239 G257 S261 R304	H237-D259 WeakPolarHBondContact CA-OD2 3.4Å; H237-D259 WeakPolarHBondContact CB-OD2 3.41Å; H237-D259 IonicContact CE1-OD1 2.78Å; H237-D259 IonicContact CG-OD2 2.64Å; H237-D259 IonicContact ND1-OD1 3.51Å; H237-D259 PolarHBondContact ND1-OD1 2.88Å; H237-D259 VanDerWaalsContact ND1-OD1 3.13Å; H237-D259 IonicContact ND1-OD2 3.87Å; H237-D259 PolarHBondContact ND1-OD2 2.84Å; H237-D259 VanDerWaalsContact ND1-OD2 3.08Å; R238-D259 HydrophobicContact CB-CB 4.49Å; R238-D259 PolarHBondContact N-OD2 2.84Å; D239-D259 HydrophobicContact CB-CB 3.85Å; G257-D259 PolarHBondContact O-N 2.82Å; D259-S261 VanDerWaalsContact CG-OG 3.23Å; D259-S261 PolarHBondContact O-N 3.36Å; D259-S261 VanDerWaalsContact O-N 3.14Å; D259-S261 VanDerWaalsContact OD1-CB 3.25Å; D259-S261 WeakPolarHBondContact OD1-CB 3.46Å; D259-S261 PolarHBondContact OD1-N 3.21Å; D259-S261 PolarHBondContact OD1-OG 3.32Å; D259-S261 PolarHBondContact OD2-OG 3.34Å; D259-R304 VanDerWaalsContact O-CZ 3.22Å; D259-R304 PolarHBondContact O-NE 2.93Å; D259-R304 PolarHBondContact O-NH2 3.45Å
260	H	98.3	Very high	98.3	Very high	55 Å²	55	23.6 Å²	23.6	26%	0.255	12%	0.117	S	C	.	.	S	Bend	trans	62.6	4.9	-174.6	-42.9	173.9	0	0	0	114.2	G257 M258 R308 N309 Y310	G257-H260 PolarHBondContact O-N 3.35Å; M258-H260 PolarHBondContact O-CD2 2.93Å; M258-H260 PolarHBondContact O-N 3.47Å; H260-R308 PolarHBondContact CE1-O 3.41Å; H260-R308 PolarHBondContact ND1-O 3.02Å; H260-N309 PolarHBondContact CD2-O 2.98Å; H260-N309 WeakPolarHBondContact NE2-CA 3.29Å; H260-Y310 PolarHBondContact CD2-N 3.45Å
261	S	98.6	Very high	98.3	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.014	14%	0.138	C	C	.	.			trans	-91.6	153.9	-174	77.2	0	0	0	0	113.4	H237 C256 D259 K263 T303	H237-S261 PolarHBondContact CE1-OG 2.83Å; H237-S261 VanDerWaalsContact CE1-OG 3.23Å; H237-S261 PolarHBondContact ND1-OG 2.85Å; H237-S261 VanDerWaalsContact ND1-OG 3.13Å; C256-S261 WeakPolarHBondContact CA-O 3.44Å; D259-S261 VanDerWaalsContact CG-OG 3.23Å; D259-S261 PolarHBondContact O-N 3.36Å; D259-S261 VanDerWaalsContact O-N 3.14Å; D259-S261 VanDerWaalsContact OD1-CB 3.25Å; D259-S261 WeakPolarHBondContact OD1-CB 3.46Å; D259-S261 PolarHBondContact OD1-N 3.21Å; D259-S261 PolarHBondContact OD1-OG 3.32Å; D259-S261 PolarHBondContact OD2-OG 3.34Å; S261-K263 VanDerWaalsContact OG-CE 3.28Å; S261-K263 WeakPolarHBondContact OG-CE 3.5Å; S261-T303 WeakPolarHBondContact CA-O 3.07Å; S261-T303 WeakPolarHBondContact CB-O 3.5Å
262	L	98.9	Very high	98.3	Very high	1 Å²	1	26 Å²	26	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	134.4	161.7	-64	100.2	0	0	0	109.3	M254 S255 C256 S302 T303 I306 V311 V314 I321 W333	M254-L262 HydrophobicContact SD-CB 4.02Å; S255-L262 CarbonylContact O-C 3.58Å; S255-L262 VanDerWaalsContact O-CA 3.28Å; S255-L262 WeakPolarHBondContact O-CA 3.13Å; C256-L262 HydrophobicContact CB-CD2 3.99Å; C256-L262 HydrophobicContact CB-CG 3.85Å; L262-S302 WeakPolarHBondContact O-CA 3.33Å; L262-T303 HydrophobicContact CB-CG2 4.27Å; L262-T303 PolarHBondContact N-O 2.85Å; L262-T303 PolarHBondContact O-N 2.92Å; L262-I306 HydrophobicContact CD1-CB 4.31Å; L262-I306 HydrophobicContact CD1-CG1 4.36Å; L262-V311 HydrophobicContact CD1-CG1 4.25Å; L262-V311 HydrophobicContact CD1-CG2 4.2Å; L262-V311 HydrophobicContact CD2-CG1 4.17Å; L262-V311 HydrophobicContact CG-CG1 4.3Å; L262-V314 HydrophobicContact CD2-CB 4.46Å; L262-V314 HydrophobicContact CD2-CG2 3.89Å; L262-I321 HydrophobicContact CD2-CG2 4.35Å; L262-W333 HydrophobicContact CB-CH2 4.28Å; L262-W333 HydrophobicContact CB-CZ2 3.92Å; L262-W333 HydrophobicContact CD1-CZ2 4.37Å; L262-W333 HydrophobicContact CD2-CZ2 3.8Å; L262-W333 HydrophobicContact CG-CZ2 4.23Å
263	K	98.9	Very high	98.4	Very high	10 Å²	10	28.9 Å²	28.9	4%	0.043	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	130.7	-171.6	-72.1	175.4	-173.7	-78	0	112.1	E235 G236 M254 S255 S261 W265 P299 F301 S302	E235-K263 PolarHBondContact O-NZ 3.06Å; G236-K263 VanDerWaalsContact C-CE 3.45Å; G236-K263 WeakPolarHBondContact O-CE 3.4Å; G236-K263 PolarHBondContact O-NZ 2.82Å; M254-K263 WeakPolarHBondContact CA-O 3.28Å; M254-K263 VanDerWaalsContact SD-O 3.33Å; S255-K263 PolarHBondContact N-O 2.9Å; S255-K263 PolarHBondContact O-N 2.99Å; S255-K263 PolarHBondContact OG-O 2.87Å; S261-K263 VanDerWaalsContact OG-CE 3.28Å; S261-K263 WeakPolarHBondContact OG-CE 3.5Å; K263-W265 HydrophobicContact CB-CZ2 4.06Å; K263-W265 HydrophobicContact CD-CZ2 4.04Å; K263-W265 PolarHBondContact O-NE1 3.35Å; K263-P299 HydrophobicContact CB-CB 4.02Å; K263-P299 HydrophobicContact CB-CG 4.45Å; K263-P299 HydrophobicContact CD-CG 4.3Å; K263-P299 HydrophobicContact CG-CB 4.31Å; K263-P299 HydrophobicContact CG-CG 4.19Å; K263-F301 WeakPolarHBondContact CA-O 3.18Å; K263-S302 WeakPolarHBondContact CG-OG 3.39Å; K263-S302 PolarHBondContact NZ-OG 3.13Å
264	L	98.8	Very high	98.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	141.3	177.4	-177.1	67.4	0	0	0	110.9	K252 I253 M254 P299 D300 F301 W316	K252-L264 HydrophobicContact CB-CD1 3.98Å; K252-L264 HydrophobicContact CD-CD1 4.32Å; I253-L264 CarbonylContact O-C 3.52Å; I253-L264 WeakPolarHBondContact O-CA 3.43Å; M254-L264 HydrophobicContact CE-CB 4.04Å; M254-L264 HydrophobicContact CE-CD1 3.99Å; L264-P299 CarbonylContact O-C 3.48Å; L264-P299 VanDerWaalsContact O-CA 3.28Å; L264-P299 WeakPolarHBondContact O-CA 3.49Å; L264-P299 WeakPolarHBondContact O-CB 3.27Å; L264-D300 HydrophobicContact CB-CB 4.46Å; L264-D300 HydrophobicContact CD2-CB 4.05Å; L264-D300 HydrophobicContact CG-CB 4.14Å; L264-D300 PolarHBondContact O-N 3.27Å; L264-F301 HydrophobicContact CB-CB 3.78Å; L264-F301 HydrophobicContact CD2-CB 3.96Å; L264-F301 PolarHBondContact N-O 3.27Å; L264-W316 HydrophobicContact CD1-CH2 3.68Å; L264-W316 HydrophobicContact CD1-CZ2 3.61Å
265	W	98.8	Very high	98.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	117.6	174.9	-42.9	87.2	0	0	0	110.9	L217 F231 K252 I253 S255 K263 I296 P299 D300	L217-W265 HydrophobicContact CD1-CZ2 4.37Å; F231-W265 HydrophobicContact CB-CD2 4Å; F231-W265 HydrophobicContact CB-CE3 3.94Å; F231-W265 HydrophobicContact CB-CH2 4.08Å; F231-W265 HydrophobicContact CB-CZ2 4.18Å; F231-W265 HydrophobicContact CB-CZ3 3.98Å; F231-W265 HydrophobicContact CD1-CB 3.88Å; F231-W265 AromaticContact CD1-CD2 3.83Å; F231-W265 HydrophobicContact CD1-CD2 3.83Å; F231-W265 AromaticContact CD1-CE3 3.67Å; F231-W265 HydrophobicContact CD1-CE3 3.67Å; F231-W265 AromaticContact CD1-CG 3.96Å; F231-W265 HydrophobicContact CD1-CG 3.96Å; F231-W265 HydrophobicContact CD1-CZ3 4.4Å; F231-W265 HydrophobicContact CE1-CB 4Å; F231-W265 HydrophobicContact CG-CD2 4.28Å; F231-W265 HydrophobicContact CG-CE3 4.28Å; K252-W265 WeakPolarHBondContact CA-O 3.25Å; I253-W265 HydrophobicContact CB-CB 4.3Å; I253-W265 PolarHBondContact N-O 3.25Å; I253-W265 PolarHBondContact O-N 3.17Å; S255-W265 PolarHBondContact OG-NE1 2.86Å; K263-W265 HydrophobicContact CB-CZ2 4.06Å; K263-W265 HydrophobicContact CD-CZ2 4.04Å; K263-W265 PolarHBondContact O-NE1 3.35Å; W265-I296 HydrophobicContact CE3-CG2 3.89Å; W265-I296 HydrophobicContact CZ3-CG2 4.09Å; W265-P299 HydrophobicContact CD2-CB 4.1Å; W265-P299 HydrophobicContact CE3-CB 3.91Å; W265-P299 HydrophobicContact CH2-CB 4.02Å; W265-P299 HydrophobicContact CH2-CG 4.48Å; W265-P299 HydrophobicContact CZ2-CB 4.16Å; W265-P299 HydrophobicContact CZ3-CB 3.88Å; W265-D300 WeakPolarHBondContact CA-OD2 3.3Å
266	R	98.4	Very high	98.3	Very high	32 Å²	32	36.4 Å²	36.4	12%	0.121	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	109.7	-177.2	-68.3	-178.6	-171	-70.7	2.5	112	S269 D300 I342 D343 I345	R266-S269 PolarHBondContact O-OG 3.28Å; R266-D300 WeakPolarHBondContact CB-OD2 3.2Å; R266-D300 WeakPolarHBondContact CD-OD1 3.5Å; R266-D300 HydrophobicContact CG-CB 3.86Å; R266-D300 VanDerWaalsContact CG-CG 3.49Å; R266-D300 PolarHBondContact N-OD2 2.76Å; R266-D300 IonicContact NE-OD1 2.68Å; R266-I342 PolarHBondContact NH2-O 3.18Å; R266-D343 IonicContact CZ-OD1 3.27Å; R266-D343 IonicContact NH1-OD1 3Å; R266-D343 PolarHBondContact NH1-OD1 2.84Å; R266-I345 PolarHBondContact NH2-O 3.23Å
267	I	98	Very high	98.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-98.5	-7.3	178.7	67.3	160.3	0	0	0	113.8	F231 F246 G250 E251 I253 S269 M272 Q273	F231-I267 HydrophobicContact CE1-CG2 4.08Å; F231-I267 HydrophobicContact CZ-CG2 3.84Å; F246-I267 HydrophobicContact CD1-CD1 4.25Å; F246-I267 HydrophobicContact CE1-CD1 3.69Å; G250-I267 WeakPolarHBondContact O-CD1 3.32Å; G250-I267 WeakPolarHBondContact O-CG1 3.39Å; E251-I267 WeakPolarHBondContact O-CG1 3.2Å; E251-I267 PolarHBondContact O-N 3.28Å; I253-I267 HydrophobicContact CD1-CG2 3.88Å; I267-S269 PolarHBondContact O-N 2.87Å; I267-M272 HydrophobicContact CB-CB 4.24Å; I267-M272 HydrophobicContact CB-CE 4.35Å; I267-M272 HydrophobicContact CB-CG 4.42Å; I267-M272 HydrophobicContact CG2-CE 3.97Å; I267-M272 HydrophobicContact CG2-CG 4.32Å; I267-M272 WeakPolarHBondContact O-CB 3.49Å; I267-Q273 PolarHBondContact O-NE2 3.11Å
268	N	97.1	Very high	98.2	Very high	56 Å²	56	43.3 Å²	43.3	30%	0.299	20%	0.203	S	C	.	.	S	Bend	trans	-69.5	-13.5	162.6	66.7	-3.5	0	0	0	113.6	E251 Q273	E251-N268 HydrophobicContact CB-CB 3.85Å; E251-N268 HydrophobicContact CG-CB 3.99Å; E251-N268 PolarHBondContact O-N 3.45Å; E251-N268 PolarHBondContact OE2-ND2 3.01Å; N268-Q273 VanDerWaalsContact O-CG 3.32Å; N268-Q273 WeakPolarHBondContact O-CG 3.41Å
269	S	96.6	Very high	98.2	Very high	43 Å²	43	41 Å²	41	30%	0.301	19%	0.192	S	C	.	.	S	Bend	trans	-59.3	143.7	178.6	63.7	0	0	0	0	112.9	R266 I267 R271 M272 Q273	R266-S269 PolarHBondContact O-OG 3.28Å; I267-S269 PolarHBondContact O-N 2.87Å; S269-R271 PolarHBondContact O-N 2.85Å; S269-R271 VanDerWaalsContact O-N 3.1Å; S269-M272 PolarHBondContact O-N 2.62Å; S269-Q273 WeakPolarHBondContact O-CG 3.32Å; S269-Q273 PolarHBondContact O-N 2.96Å
270	E	97.6	Very high	98.2	Very high	152 Å²	152	44 Å²	44	71%	0.71	20%	0.203	S	C	*	.	H	α-helix	trans	-53.7	-39.4	-175.1	-164.6	-151.4	144.4	0	0	112.4	M272 Q273 K274	E270-M272 PolarHBondContact O-N 2.98Å; E270-Q273 PolarHBondContact O-N 3.39Å; E270-K274 VanDerWaalsContact O-CB 3.23Å; E270-K274 WeakPolarHBondContact O-CB 3.28Å; E270-K274 PolarHBondContact O-N 3.12Å
271	R	97.6	Very high	98.1	Very high	124 Å²	124	48.8 Å²	48.8	47%	0.468	23%	0.225	S	C	.	.	H	α-helix	trans	-58.3	-47.1	176.2	-178.1	-179.8	178.3	-156.6	-7	112.2	S269 A275 Q294 K295	S269-R271 PolarHBondContact O-N 2.85Å; S269-R271 VanDerWaalsContact O-N 3.1Å; R271-A275 PolarHBondContact O-N 2.57Å; R271-A275 VanDerWaalsContact O-N 3.15Å; R271-Q294 VanDerWaalsContact CZ-OE1 3.31Å; R271-K295 PolarHBondContact NH1-O 2.89Å; R271-K295 PolarHBondContact NH2-O 3.24Å
272	M	98.4	Very high	98.1	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.015	24%	0.235	C	C	.	.	H	α-helix	trans	-72.5	-43.4	179.4	-76.9	-59.1	-53.7	0	0	111.4	L219 A229 F231 I267 S269 E270 K274 A275 I276 I296	L219-M272 HydrophobicContact CD2-CE 3.84Å; A229-M272 HydrophobicContact CB-CE 3.7Å; A229-M272 HydrophobicContact CB-SD 3.93Å; F231-M272 HydrophobicContact CE1-CE 4.45Å; F231-M272 HydrophobicContact CE1-SD 4.38Å; F231-M272 HydrophobicContact CZ-CE 3.82Å; F231-M272 HydrophobicContact CZ-SD 4.28Å; I267-M272 HydrophobicContact CB-CB 4.24Å; I267-M272 HydrophobicContact CB-CE 4.35Å; I267-M272 HydrophobicContact CB-CG 4.42Å; I267-M272 HydrophobicContact CG2-CE 3.97Å; I267-M272 HydrophobicContact CG2-CG 4.32Å; I267-M272 WeakPolarHBondContact O-CB 3.49Å; S269-M272 PolarHBondContact O-N 2.62Å; E270-M272 PolarHBondContact O-N 2.98Å; M272-K274 VanDerWaalsContact C-N 3.29Å; M272-K274 PolarHBondContact O-N 2.82Å; M272-A275 WeakPolarHBondContact O-CB 3.35Å; M272-A275 PolarHBondContact O-N 3.43Å; M272-I276 WeakPolarHBondContact O-CG1 3.41Å; M272-I276 PolarHBondContact O-N 2.81Å; M272-I296 HydrophobicContact SD-CD1 3.83Å; M272-I296 HydrophobicContact SD-CG1 3.99Å
273	Q	98.2	Very high	97.9	Very high	64 Å²	64	54 Å²	54	30%	0.299	25%	0.249	S	C	.	.	H	α-helix	trans	-60.3	-37	176	-70.9	-63	-47.5	0	0	112.8	I267 N268 S269 E270 R277	I267-Q273 PolarHBondContact O-NE2 3.11Å; N268-Q273 VanDerWaalsContact O-CG 3.32Å; N268-Q273 WeakPolarHBondContact O-CG 3.41Å; S269-Q273 WeakPolarHBondContact O-CG 3.32Å; S269-Q273 PolarHBondContact O-N 2.96Å; E270-Q273 PolarHBondContact O-N 3.39Å; Q273-R277 WeakPolarHBondContact O-CG 3.32Å; Q273-R277 PolarHBondContact O-N 3.17Å; Q273-R277 VanDerWaalsContact O-N 3.07Å; Q273-R277 PolarHBondContact O-NH1 3.17Å
274	K	98.2	Very high	97.7	Very high	136 Å²	136	57.4 Å²	57.4	59%	0.591	27%	0.273	S	S	*	.	H	α-helix	trans	-68.7	-37.9	172.7	-173.7	173.3	-176.4	171.9	0	112.4	E270 M272 G278	E270-K274 VanDerWaalsContact O-CB 3.23Å; E270-K274 WeakPolarHBondContact O-CB 3.28Å; E270-K274 PolarHBondContact O-N 3.12Å; M272-K274 VanDerWaalsContact C-N 3.29Å; M272-K274 PolarHBondContact O-N 2.82Å; K274-G278 PolarHBondContact O-N 2.75Å
275	A	98.5	Very high	97.6	Very high	9 Å²	9	63.2 Å²	63.2	7%	0.074	31%	0.308	C	S	.	.	H	α-helix	trans	-67.8	-41.2	175.7	0	0	0	0	0	112.4	V228 R271 M272 G278 S279 Q294	V228-A275 HydrophobicContact CG1-CB 4.05Å; R271-A275 PolarHBondContact O-N 2.57Å; R271-A275 VanDerWaalsContact O-N 3.15Å; M272-A275 WeakPolarHBondContact O-CB 3.35Å; M272-A275 PolarHBondContact O-N 3.43Å; A275-G278 PolarHBondContact O-N 3.07Å; A275-S279 WeakPolarHBondContact O-CB 3.44Å; A275-S279 PolarHBondContact O-N 2.8Å; A275-Q294 HydrophobicContact CB-CG 3.47Å; A275-Q294 VanDerWaalsContact CB-CG 3.47Å
276	I	98.6	Very high	97.4	Very high	14 Å²	14	71.5 Å²	71.5	7%	0.072	34%	0.344	C	S	.	.	H	α-helix	trans	-60.9	-50.4	174.7	-68.4	163.3	0	0	0	110.1	L207 V228 M272 G278 S279 Y280	L207-I276 HydrophobicContact CD1-CD1 4.05Å; L207-I276 HydrophobicContact CD1-CG1 4.24Å; L207-I276 HydrophobicContact CD1-CG2 4.03Å; V228-I276 HydrophobicContact CG1-CG1 3.92Å; M272-I276 WeakPolarHBondContact O-CG1 3.41Å; M272-I276 PolarHBondContact O-N 2.81Å; I276-G278 PolarHBondContact O-N 2.86Å; I276-S279 WeakPolarHBondContact O-CB 3.3Å; I276-S279 PolarHBondContact O-N 2.59Å; I276-S279 VanDerWaalsContact O-N 3.12Å; I276-S279 PolarHBondContact O-OG 2.95Å; I276-Y280 HydrophobicContact CG2-CD2 4.35Å; I276-Y280 HydrophobicContact CG2-CE2 4.16Å; I276-Y280 WeakPolarHBondContact O-CD2 3.33Å; I276-Y280 PolarHBondContact O-N 3.14Å
277	R	98.3	Very high	97.2	Very high	123 Å²	123	72.3 Å²	72.3	46%	0.464	35%	0.353	S	S	.	.	H	α-helix	trans	-58.6	-48	175.2	-72.9	-171.3	-63.7	-85.9	4.3	112.6	Q273 S279 Y280 E281	Q273-R277 WeakPolarHBondContact O-CG 3.32Å; Q273-R277 PolarHBondContact O-N 3.17Å; Q273-R277 VanDerWaalsContact O-N 3.07Å; Q273-R277 PolarHBondContact O-NH1 3.17Å; R277-S279 PolarHBondContact O-N 3.23Å; R277-Y280 PolarHBondContact O-N 3.13Å; R277-E281 WeakPolarHBondContact O-CG 3.45Å; R277-E281 PolarHBondContact O-N 3.08Å
278	G	98	Very high	97	Very high	21 Å²	21	80.6 Å²	80.6	22%	0.216	40%	0.397	C	S	.	.	H	α-helix	trans	-59.1	-30.1	176.2	0	0	0	0	0	113.7	K274 A275 I276 E281 Y282 F291	K274-G278 PolarHBondContact O-N 2.75Å; A275-G278 PolarHBondContact O-N 3.07Å; I276-G278 PolarHBondContact O-N 2.86Å; G278-E281 PolarHBondContact O-N 3.26Å; G278-Y282 PolarHBondContact O-N 3.24Å; G278-Y282 VanDerWaalsContact O-N 3.12Å; G278-F291 WeakPolarHBondContact O-CE2 3.45Å
279	S	98.4	Very high	96.9	Very high	0 Å²	0	87.5 Å²	87.5	0%	0	42%	0.419	C	S	.	.	H	α-helix	trans	-68.4	-33.4	175.5	80.7	0	0	0	0	112.6	N221 T224 T226 A275 I276 R277	N221-S279 PolarHBondContact ND2-OG 3.13Å; T224-S279 VanDerWaalsContact CB-O 3.27Å; T224-S279 WeakPolarHBondContact CB-O 3.29Å; T224-S279 VanDerWaalsContact CG2-O 3.29Å; T224-S279 WeakPolarHBondContact CG2-O 3.44Å; T224-S279 PolarHBondContact OG1-O 3.14Å; T226-S279 WeakPolarHBondContact OG1-CB 3.34Å; A275-S279 WeakPolarHBondContact O-CB 3.44Å; A275-S279 PolarHBondContact O-N 2.8Å; I276-S279 WeakPolarHBondContact O-CB 3.3Å; I276-S279 PolarHBondContact O-N 2.59Å; I276-S279 VanDerWaalsContact O-N 3.12Å; I276-S279 PolarHBondContact O-OG 2.95Å; R277-S279 PolarHBondContact O-N 3.23Å
280	Y	98.1	Very high	96.9	Very high	78 Å²	78	90.3 Å²	90.3	31%	0.306	44%	0.436	S	S	.	.	H	α-helix	trans	-77.6	-31.5	173.7	-79	-71.1	0	0	0	113.4	D204 N206 N221 Q223 I276 R277 Y282	D204-Y280 PolarHBondContact OD1-OH 2.63Å; D204-Y280 PolarHBondContact OD2-OH 3.11Å; N206-Y280 HydrophobicContact CB-CE1 4.46Å; N206-Y280 WeakPolarHBondContact CB-OH 3.46Å; N206-Y280 PolarHBondContact ND2-OH 3.4Å; N221-Y280 WeakPolarHBondContact ND2-CD1 3.24Å; N221-Y280 WeakPolarHBondContact ND2-CE1 3.42Å; Q223-Y280 HydrophobicContact CB-CE1 4.32Å; I276-Y280 HydrophobicContact CG2-CD2 4.35Å; I276-Y280 HydrophobicContact CG2-CE2 4.16Å; I276-Y280 WeakPolarHBondContact O-CD2 3.33Å; I276-Y280 PolarHBondContact O-N 3.14Å; R277-Y280 PolarHBondContact O-N 3.13Å; Y280-Y282 VanDerWaalsContact C-N 3.28Å
281	E	97.1	Very high	96.9	Very high	157 Å²	157	85.3 Å²	85.3	73%	0.734	41%	0.412	S	S	*	.	H	α-helix	trans	-73.5	-20.3	175.5	-68	164.7	-156.4	0	0	112.7	R277 G278	R277-E281 WeakPolarHBondContact O-CG 3.45Å; R277-E281 PolarHBondContact O-N 3.08Å; G278-E281 PolarHBondContact O-N 3.26Å
282	Y	97.5	Very high	96.9	Very high	53 Å²	53	84.7 Å²	84.7	21%	0.208	42%	0.422	C	S	.	.			trans	-69.6	133	-178.9	-177.6	-99.7	0	0	0	112.8	T226 G278 Y280 P284 T287 F291	T226-Y282 HydrophobicContact CG2-CD1 3.27Å; T226-Y282 HydrophobicContact CG2-CE1 3.74Å; T226-Y282 HydrophobicContact CG2-CG 3.92Å; G278-Y282 PolarHBondContact O-N 3.24Å; G278-Y282 VanDerWaalsContact O-N 3.12Å; Y280-Y282 VanDerWaalsContact C-N 3.28Å; Y282-P284 HydrophobicContact CE1-CB 4.23Å; Y282-P284 HydrophobicContact CE1-CG 4.36Å; Y282-T287 HydrophobicContact CD2-CG2 4.19Å; Y282-T287 HydrophobicContact CE2-CG2 3.85Å; Y282-F291 HydrophobicContact CD1-CB 4.29Å; Y282-F291 HydrophobicContact CD2-CB 3.89Å; Y282-F291 AromaticContact CD2-CD2 3.93Å; Y282-F291 HydrophobicContact CD2-CD2 3.93Å; Y282-F291 HydrophobicContact CD2-CG 4.42Å; Y282-F291 HydrophobicContact CE1-CB 4.21Å; Y282-F291 HydrophobicContact CE2-CB 3.82Å; Y282-F291 HydrophobicContact CG-CB 4.11Å; Y282-F291 AromaticContact CG-CD2 3.94Å; Y282-F291 HydrophobicContact CG-CD2 3.94Å; Y282-F291 HydrophobicContact CG-CG 4.43Å; Y282-F291 PolarHBondContact OH-N 3.04Å
283	N	95.8	Very high	96.9	Very high	59 Å²	59	85.9 Å²	85.9	32%	0.316	43%	0.431	S	S	.	.			trans	-147.5	115	171.8	-174.4	-41.9	0	0	0	110.1	T285 K286 T287	N283-T285 PolarHBondContact O-N 2.83Å; N283-T285 VanDerWaalsContact O-N 3.14Å; N283-T285 WeakPolarHBondContact OD1-CB 3.12Å; N283-T285 PolarHBondContact OD1-N 2.9Å; N283-T285 PolarHBondContact OD1-OG1 2.87Å; N283-K286 HydrophobicContact CB-CD 4.3Å; N283-K286 HydrophobicContact CB-CG 4.31Å; N283-K286 PolarHBondContact O-N 3.02Å; N283-T287 WeakPolarHBondContact O-CG2 3.42Å
284	P	94.1	Very high	96.9	Very high	82 Å²	82	85.3 Å²	85.3	53%	0.532	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-17	-173.9	27.1	-34.6	0	0	0	113.8	Y282 K286	Y282-P284 HydrophobicContact CE1-CB 4.23Å; Y282-P284 HydrophobicContact CE1-CG 4.36Å; P284-K286 PolarHBondContact O-N 2.9Å
285	T	95.7	Very high	96.9	Very high	122 Å²	122	84.7 Å²	84.7	75%	0.748	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-10.9	173	69.6	0	0	0	0	113.4	N283	N283-T285 PolarHBondContact O-N 2.83Å; N283-T285 VanDerWaalsContact O-N 3.14Å; N283-T285 WeakPolarHBondContact OD1-CB 3.12Å; N283-T285 PolarHBondContact OD1-N 2.9Å; N283-T285 PolarHBondContact OD1-OG1 2.87Å
286	K	95.2	Very high	96.9	Very high	174 Å²	174	85.1 Å²	85.1	76%	0.757	43%	0.426	S	S	*	.	S	Bend	trans	-114.4	-4.3	-177	-57.6	-174.6	-176.3	178.5	0	113.9	N283 P284	N283-K286 HydrophobicContact CB-CD 4.3Å; N283-K286 HydrophobicContact CB-CG 4.31Å; N283-K286 PolarHBondContact O-N 3.02Å; P284-K286 PolarHBondContact O-N 2.9Å
287	T	94.7	Very high	96.9	Very high	48 Å²	48	88.1 Å²	88.1	29%	0.294	44%	0.439	S	S	.	.			trans	-148.7	133.8	-179.4	170	0	0	0	0	112.1	Y282 N283 R289	Y282-T287 HydrophobicContact CD2-CG2 4.19Å; Y282-T287 HydrophobicContact CE2-CG2 3.85Å; N283-T287 WeakPolarHBondContact O-CG2 3.42Å; T287-R289 PolarHBondContact O-N 3.3Å; T287-R289 PolarHBondContact OG1-N 2.79Å; T287-R289 PolarHBondContact OG1-O 2.85Å
288	N	93.9	Very high	96.9	Very high	175 Å²	175	88.7 Å²	88.7	94%	0.936	45%	0.446	S	S	*	.	S	Bend	trans	-83.5	2.5	173	-61.3	1.1	0	0	0	112.8
289	R	94.9	Very high	96.9	Very high	201 Å²	201	88.3 Å²	88.3	76%	0.758	44%	0.439	S	S	*	.	S	Bend	trans	-99.5	132.8	175.8	-63.7	-178.9	177.8	177.1	-0.5	109.9	T287	T287-R289 PolarHBondContact O-N 3.3Å; T287-R289 PolarHBondContact OG1-N 2.79Å; T287-R289 PolarHBondContact OG1-O 2.85Å
290	P	95.7	Very high	96.9	Very high	101 Å²	101	90.2 Å²	90.2	66%	0.656	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-66.9	158.1	175.4	30.3	-36	0	0	0	111.5
291	F	97.4	Very high	96.9	Very high	47 Å²	47	86.5 Å²	86.5	21%	0.206	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-64.7	137.3	171.2	-172.8	-97	0	0	0	111.1	T226 L227 G278 Y282	T226-F291 HydrophobicContact CG2-CB 3.77Å; T226-F291 HydrophobicContact CG2-CD1 4.29Å; T226-F291 HydrophobicContact CG2-CD2 4.24Å; T226-F291 HydrophobicContact CG2-CG 3.82Å; L227-F291 WeakPolarHBondContact O-CD1 3.14Å; L227-F291 VanDerWaalsContact O-CE1 3.27Å; L227-F291 WeakPolarHBondContact O-CE1 3.45Å; G278-F291 WeakPolarHBondContact O-CE2 3.45Å; Y282-F291 HydrophobicContact CD1-CB 4.29Å; Y282-F291 HydrophobicContact CD2-CB 3.89Å; Y282-F291 AromaticContact CD2-CD2 3.93Å; Y282-F291 HydrophobicContact CD2-CD2 3.93Å; Y282-F291 HydrophobicContact CD2-CG 4.42Å; Y282-F291 HydrophobicContact CE1-CB 4.21Å; Y282-F291 HydrophobicContact CE2-CB 3.82Å; Y282-F291 HydrophobicContact CG-CB 4.11Å; Y282-F291 AromaticContact CG-CD2 3.94Å; Y282-F291 HydrophobicContact CG-CD2 3.94Å; Y282-F291 HydrophobicContact CG-CG 4.43Å; Y282-F291 PolarHBondContact OH-N 3.04Å
292	V	97.6	Very high	97	Very high	111 Å²	111	81.2 Å²	81.2	67%	0.673	42%	0.415	S	S	*	.			trans	-103.9	98.6	-177.1	-176.6	0	0	0	0	110
293	S	98.3	Very high	97.1	Very high	29 Å²	29	79 Å²	79	20%	0.203	41%	0.407	C	S	.	.			trans	-58.8	142.7	176.5	58.1	0	0	0	0	112.6	L227	L227-S293 WeakPolarHBondContact O-CA 3.49Å; L227-S293 WeakPolarHBondContact O-CB 3.41Å
294	Q	98.6	Very high	97.2	Very high	51 Å²	51	83.3 Å²	83.3	24%	0.238	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	128.8	172.8	-69.3	-55.9	-54.5	0	0	111.4	V228 A229 I230 R271 A275 I296	V228-Q294 PolarHBondContact O-N 2.85Å; A229-Q294 CarbonylContact C-O 3.49Å; A229-Q294 VanDerWaalsContact CA-O 3.24Å; A229-Q294 WeakPolarHBondContact CA-O 3.35Å; A229-Q294 HydrophobicContact CB-CB 4.1Å; I230-Q294 PolarHBondContact N-O 3.2Å; R271-Q294 VanDerWaalsContact CZ-OE1 3.31Å; A275-Q294 HydrophobicContact CB-CG 3.47Å; A275-Q294 VanDerWaalsContact CB-CG 3.47Å; Q294-I296 HydrophobicContact CB-CD1 4.02Å
295	K	98.4	Very high	97.4	Very high	124 Å²	124	84.8 Å²	84.8	54%	0.539	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	113.3	170.6	-57.9	-174.4	-179.5	-174.7	0	109.8	R271	R271-K295 PolarHBondContact NH1-O 2.89Å; R271-K295 PolarHBondContact NH2-O 3.24Å
296	I	98.6	Very high	97.5	Very high	18 Å²	18	79.2 Å²	79.2	9%	0.092	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	96.1	-178.7	-49.1	-56.7	0	0	0	108	A229 I230 F231 G232 W265 M272 Q294	A229-I296 HydrophobicContact CB-CG1 4.46Å; I230-I296 PolarHBondContact O-N 3.38Å; F231-I296 WeakPolarHBondContact CA-O 3.41Å; F231-I296 HydrophobicContact CD1-CB 3.64Å; F231-I296 HydrophobicContact CD1-CG1 3.85Å; F231-I296 HydrophobicContact CD1-CG2 3.75Å; F231-I296 HydrophobicContact CE1-CB 4.16Å; F231-I296 HydrophobicContact CE1-CG1 3.86Å; F231-I296 HydrophobicContact CE1-CG2 4.23Å; F231-I296 HydrophobicContact CG-CB 4.25Å; G232-I296 PolarHBondContact N-O 2.92Å; W265-I296 HydrophobicContact CE3-CG2 3.89Å; W265-I296 HydrophobicContact CZ3-CG2 4.09Å; M272-I296 HydrophobicContact SD-CD1 3.83Å; M272-I296 HydrophobicContact SD-CG1 3.99Å; Q294-I296 HydrophobicContact CB-CD1 4.02Å
297	H	98.4	Very high	97.7	Very high	76 Å²	76	71.1 Å²	71.1	35%	0.352	35%	0.353	S	S	.	.			trans	-91.8	-8.3	-170.4	-67	-41.1	0	0	0	115.1	G232 V234 E235	G232-H297 WeakPolarHBondContact O-CA 3.41Å; G232-H297 PolarHBondContact O-ND1 3.18Å; V234-H297 HydrophobicContact CG1-CB 4.37Å; E235-H297 PolarHBondContact N-O 3.05Å
298	F	98.4	Very high	97.8	Very high	135 Å²	135	79.5 Å²	79.5	59%	0.592	38%	0.379	S	S	*	.	S	Bend	trans	-133.8	127.6	-175.8	-57.1	-79.8	0	0	0	108.7	V234 E235	V234-F298 HydrophobicContact CG1-CE1 3.74Å; V234-F298 HydrophobicContact CG1-CZ 3.77Å; E235-F298 HydrophobicContact CB-CD1 3.97Å; E235-F298 HydrophobicContact CB-CE1 4.49Å; E235-F298 HydrophobicContact CG-CD1 3.87Å; E235-F298 HydrophobicContact CG-CE1 4Å
299	P	98.4	Very high	98	Very high	13 Å²	13	74.2 Å²	74.2	8%	0.084	35%	0.351	C	S	.	.			trans	-78.3	158	170.6	33.4	-35.1	0	0	0	111	E235 K263 L264 W265 F301	E235-P299 VanDerWaalsContact O-CD 3.22Å; E235-P299 WeakPolarHBondContact O-CD 3.42Å; K263-P299 HydrophobicContact CB-CB 4.02Å; K263-P299 HydrophobicContact CB-CG 4.45Å; K263-P299 HydrophobicContact CD-CG 4.3Å; K263-P299 HydrophobicContact CG-CB 4.31Å; K263-P299 HydrophobicContact CG-CG 4.19Å; L264-P299 CarbonylContact O-C 3.48Å; L264-P299 VanDerWaalsContact O-CA 3.28Å; L264-P299 WeakPolarHBondContact O-CA 3.49Å; L264-P299 WeakPolarHBondContact O-CB 3.27Å; W265-P299 HydrophobicContact CD2-CB 4.1Å; W265-P299 HydrophobicContact CE3-CB 3.91Å; W265-P299 HydrophobicContact CH2-CB 4.02Å; W265-P299 HydrophobicContact CH2-CG 4.48Å; W265-P299 HydrophobicContact CZ2-CB 4.16Å; W265-P299 HydrophobicContact CZ3-CB 3.88Å; P299-F301 VanDerWaalsContact C-N 3.27Å; P299-F301 PolarHBondContact O-N 2.84Å
300	D	98.4	Very high	98.1	Very high	40 Å²	40	65.7 Å²	65.7	21%	0.214	32%	0.319	C	S	.	.	S	Bend	trans	-79.4	-10	179.2	-63.2	-91.8	0	0	0	113.4	L264 W265 R266 K346 P347	L264-D300 HydrophobicContact CB-CB 4.46Å; L264-D300 HydrophobicContact CD2-CB 4.05Å; L264-D300 HydrophobicContact CG-CB 4.14Å; L264-D300 PolarHBondContact O-N 3.27Å; W265-D300 WeakPolarHBondContact CA-OD2 3.3Å; R266-D300 WeakPolarHBondContact CB-OD2 3.2Å; R266-D300 WeakPolarHBondContact CD-OD1 3.5Å; R266-D300 HydrophobicContact CG-CB 3.86Å; R266-D300 VanDerWaalsContact CG-CG 3.49Å; R266-D300 PolarHBondContact N-OD2 2.76Å; R266-D300 IonicContact NE-OD1 2.68Å; D300-K346 CarbonylContact O-C 3.33Å; D300-P347 VanDerWaalsContact O-CA 3.23Å; D300-P347 WeakPolarHBondContact O-CA 3.3Å
301	F	98.7	Very high	98.3	Very high	1 Å²	1	60.9 Å²	60.9	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	150	169.8	170.5	-100	0	0	0	109.1	K263 L264 P299 T303 W333 P335 I345 E349 V352	K263-F301 WeakPolarHBondContact CA-O 3.18Å; L264-F301 HydrophobicContact CB-CB 3.78Å; L264-F301 HydrophobicContact CD2-CB 3.96Å; L264-F301 PolarHBondContact N-O 3.27Å; P299-F301 VanDerWaalsContact C-N 3.27Å; P299-F301 PolarHBondContact O-N 2.84Å; F301-T303 HydrophobicContact CE1-CG2 3.66Å; F301-T303 HydrophobicContact CZ-CG2 3.98Å; F301-W333 AromaticContact CE1-CH2 3.87Å; F301-W333 HydrophobicContact CE1-CH2 3.87Å; F301-W333 AromaticContact CE1-CZ3 3.79Å; F301-W333 HydrophobicContact CE1-CZ3 3.79Å; F301-W333 HydrophobicContact CZ-CZ3 4.33Å; F301-P335 HydrophobicContact CD1-CB 3.84Å; F301-P335 HydrophobicContact CD1-CG 3.77Å; F301-P335 HydrophobicContact CD2-CB 4Å; F301-P335 HydrophobicContact CE1-CB 3.72Å; F301-P335 HydrophobicContact CE1-CG 3.8Å; F301-P335 HydrophobicContact CE2-CB 3.88Å; F301-P335 HydrophobicContact CG-CB 3.98Å; F301-P335 HydrophobicContact CG-CG 4.28Å; F301-P335 HydrophobicContact CZ-CB 3.74Å; F301-P335 HydrophobicContact CZ-CG 4.32Å; F301-I345 HydrophobicContact CB-CG2 4.01Å; F301-I345 HydrophobicContact CD2-CG2 3.91Å; F301-I345 HydrophobicContact CG-CG2 4.17Å; F301-E349 HydrophobicContact CD2-CB 4.19Å; F301-E349 HydrophobicContact CE2-CB 4.39Å; F301-E349 HydrophobicContact CE2-CG 4.46Å; F301-V352 HydrophobicContact CE1-CG1 4.47Å; F301-V352 HydrophobicContact CZ-CG1 3.73Å
302	S	98.6	Very high	98.3	Very high	46 Å²	46	58.7 Å²	58.7	32%	0.322	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	132.8	175.5	-168.4	0	0	0	0	111.2	L262 K263	L262-S302 WeakPolarHBondContact O-CA 3.33Å; K263-S302 WeakPolarHBondContact CG-OG 3.39Å; K263-S302 PolarHBondContact NZ-OG 3.13Å
303	T	98.7	Very high	98.4	Very high	6 Å²	6	53.4 Å²	53.4	4%	0.037	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	157.6	173.7	177.1	0	0	0	0	111.3	S261 L262 F301 D305 I306 W333 V352	S261-T303 WeakPolarHBondContact CA-O 3.07Å; S261-T303 WeakPolarHBondContact CB-O 3.5Å; L262-T303 HydrophobicContact CB-CG2 4.27Å; L262-T303 PolarHBondContact N-O 2.85Å; L262-T303 PolarHBondContact O-N 2.92Å; F301-T303 HydrophobicContact CE1-CG2 3.66Å; F301-T303 HydrophobicContact CZ-CG2 3.98Å; T303-D305 PolarHBondContact OG1-N 2.93Å; T303-D305 VanDerWaalsContact OG1-N 3.08Å; T303-D305 PolarHBondContact OG1-OD2 2.89Å; T303-I306 HydrophobicContact CG2-CG1 3.96Å; T303-W333 HydrophobicContact CG2-CH2 3.78Å; T303-W333 HydrophobicContact CG2-CZ2 4.44Å; T303-W333 HydrophobicContact CG2-CZ3 3.95Å; T303-V352 HydrophobicContact CG2-CG1 4.09Å
304	R	98.6	Very high	98.4	Very high	149 Å²	149	52 Å²	52	56%	0.562	24%	0.236	S	C	*	.			trans	-129.9	18	168.5	-61.3	-179.1	77.7	-143.9	2.9	111.7	D259	D259-R304 VanDerWaalsContact O-CZ 3.22Å; D259-R304 PolarHBondContact O-NE 2.93Å; D259-R304 PolarHBondContact O-NH2 3.45Å
305	D	98.4	Very high	98.4	Very high	114 Å²	114	50.4 Å²	50.4	61%	0.61	23%	0.228	S	C	*	.			trans	-105.4	-3.2	-162	-47.5	-80.7	0	0	0	112.8	T303 V352	T303-D305 PolarHBondContact OG1-N 2.93Å; T303-D305 VanDerWaalsContact OG1-N 3.08Å; T303-D305 PolarHBondContact OG1-OD2 2.89Å; D305-V352 HydrophobicContact CB-CG2 4.2Å
306	I	98.6	Very high	98.4	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.026	20%	0.203	C	C	.	.	S	Bend	trans	-86.2	-40.8	-177.4	-50.5	-59.3	0	0	0	112.3	L262 T303 V331 W333 V352 I354	L262-I306 HydrophobicContact CD1-CB 4.31Å; L262-I306 HydrophobicContact CD1-CG1 4.36Å; T303-I306 HydrophobicContact CG2-CG1 3.96Å; I306-V331 HydrophobicContact CG2-CB 4Å; I306-V331 HydrophobicContact CG2-CG1 3.8Å; I306-V331 HydrophobicContact CG2-CG2 4.44Å; I306-W333 HydrophobicContact CD1-CB 4.12Å; I306-W333 HydrophobicContact CD1-CD2 3.55Å; I306-W333 HydrophobicContact CD1-CE3 3.57Å; I306-W333 HydrophobicContact CD1-CG 3.77Å; I306-W333 HydrophobicContact CD1-CZ3 4.31Å; I306-W333 HydrophobicContact CG1-CD2 3.76Å; I306-W333 HydrophobicContact CG1-CE3 4.02Å; I306-W333 HydrophobicContact CG1-CG 4.15Å; I306-W333 HydrophobicContact CG1-CZ2 4.36Å; I306-W333 HydrophobicContact CG1-CZ3 4.44Å; I306-W333 HydrophobicContact CG2-CD2 4.47Å; I306-W333 HydrophobicContact CG2-CG 4.08Å; I306-V352 HydrophobicContact CD1-CB 3.81Å; I306-V352 HydrophobicContact CD1-CG1 4.01Å; I306-V352 HydrophobicContact CD1-CG2 3.8Å; I306-I354 HydrophobicContact CD1-CG1 4.29Å
307	H	98.4	Very high	98.4	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.019	21%	0.207	C	C	.	.			trans	-133.1	150.8	-175.7	-56.7	-83	0	0	0	110.3	V311 S323 S325	H307-V311 HydrophobicContact CB-CG2 3.91Å; H307-S323 PolarHBondContact CE1-O 3.3Å; H307-S323 VanDerWaalsContact CE1-O 3.3Å; H307-S323 WeakPolarHBondContact NE2-CB 3.44Å; H307-S323 PolarHBondContact NE2-OG 3.39Å; H307-S325 WeakPolarHBondContact ND1-CB 3.24Å
308	R	96.6	Very high	98.1	Very high	223 Å²	223	43.6 Å²	43.6	84%	0.842	21%	0.209	S	C	*	.	S	Bend	trans	-97.6	-2.5	-177.8	-64.2	179.7	176.5	176.4	-0.7	115.3	H260 E327	H260-R308 PolarHBondContact CE1-O 3.41Å; H260-R308 PolarHBondContact ND1-O 3.02Å; R308-E327 PolarHBondContact N-OE1 2.67Å
309	N	98.1	Very high	98	Very high	64 Å²	64	41.6 Å²	41.6	34%	0.342	20%	0.204	S	C	.	.	S	Bend	trans	-139.4	-172.9	-178.8	-160.1	-7.7	0	0	0	109.3	H260 C326	H260-N309 PolarHBondContact CD2-O 2.98Å; H260-N309 WeakPolarHBondContact NE2-CA 3.29Å; N309-C326 PolarHBondContact ND2-SG 2.87Å
310	Y	97.9	Very high	97.9	Very high	22 Å²	22	43.4 Å²	43.4	9%	0.086	21%	0.213	C	C	.	.			trans	-44.8	148.5	175.7	67.9	-100.7	0	0	0	112.9	L242 M258 H260 D312 S325 C326 D364 I365 W366	L242-Y310 HydrophobicContact CD1-CD2 4.35Å; M258-Y310 VanDerWaalsContact SD-CB 3.55Å; M258-Y310 HydrophobicContact SD-CG 4.25Å; H260-Y310 PolarHBondContact CD2-N 3.45Å; Y310-D312 HydrophobicContact CD2-CB 3.83Å; Y310-D312 HydrophobicContact CE2-CB 3.9Å; Y310-S325 WeakPolarHBondContact O-CA 3.45Å; Y310-S325 WeakPolarHBondContact O-CB 3.43Å; Y310-S325 PolarHBondContact O-OG 2.9Å; Y310-C326 HydrophobicContact CE1-CB 4.06Å; Y310-C326 WeakPolarHBondContact OH-CB 3.46Å; Y310-D364 PolarHBondContact OH-O 2.81Å; Y310-D364 VanDerWaalsContact OH-O 3.08Å; Y310-I365 PolarHBondContact OH-O 3.25Å; Y310-I365 VanDerWaalsContact OH-O 3.06Å; Y310-W366 AromaticContact CD2-CD1 3.8Å; Y310-W366 HydrophobicContact CE1-CB 4.39Å; Y310-W366 HydrophobicContact CE2-CB 4.38Å; Y310-W366 AromaticContact CE2-CD1 3.85Å; Y310-W366 WeakPolarHBondContact OH-CA 3.16Å; Y310-W366 PolarHBondContact OH-N 3.17Å
311	V	98.8	Very high	97.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.203	C	C	.	.			trans	-118.5	100	177.3	-173.1	0	0	0	0	108.3	C256 G257 L262 H307 K324	C256-V311 HydrophobicContact CB-CB 3.84Å; C256-V311 HydrophobicContact CB-CG1 3.63Å; C256-V311 PolarHBondContact SG-O 2.9Å; G257-V311 PolarHBondContact O-N 3.12Å; L262-V311 HydrophobicContact CD1-CG1 4.25Å; L262-V311 HydrophobicContact CD1-CG2 4.2Å; L262-V311 HydrophobicContact CD2-CG1 4.17Å; L262-V311 HydrophobicContact CG-CG1 4.3Å; H307-V311 HydrophobicContact CB-CG2 3.91Å; V311-K324 WeakPolarHBondContact CA-O 3.21Å; V311-K324 WeakPolarHBondContact CG1-O 3.5Å
312	D	98.3	Very high	97.9	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	20%	0.203	C	C	.	.			trans	-95.3	-9	-167.2	68.6	-36.1	0	0	0	114.9	L242 Y310 K324 Y367 M368	L242-D312 HydrophobicContact CD1-CB 3.97Å; Y310-D312 HydrophobicContact CD2-CB 3.83Å; Y310-D312 HydrophobicContact CE2-CB 3.9Å; D312-K324 PolarHBondContact N-O 2.89Å; D312-K324 IonicContact OD1-NZ 3.27Å; D312-K324 PolarHBondContact OD1-NZ 2.9Å; D312-K324 IonicContact OD2-NZ 2.95Å; D312-K324 PolarHBondContact OD2-NZ 2.6Å; D312-Y367 PolarHBondContact OD2-N 2.93Å; D312-M368 PolarHBondContact OD2-N 2.74Å
313	C	98.9	Very high	97.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	136.6	173.7	-165.5	0	0	0	0	111.5	S323 K324 R369 F370	C313-S323 VanDerWaalsContact O-CA 3.32Å; C313-S323 WeakPolarHBondContact O-CA 3.19Å; C313-K324 HydrophobicContact CB-CD 4.46Å; C313-K324 HydrophobicContact CB-CG 4Å; C313-K324 PolarHBondContact O-N 3.13Å; C313-K324 VanDerWaalsContact O-N 3.1Å; C313-R369 HydrophobicContact CB-CG 4.49Å; C313-F370 HydrophobicContact CB-CD1 3.76Å; C313-F370 HydrophobicContact CB-CE1 3.74Å; C313-F370 VanDerWaalsContact SG-CD1 3.52Å
314	V	98.9	Very high	97.9	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	145.3	176	66.8	0	0	0	0	110.5	M254 C256 L262 I321 L322	M254-V314 HydrophobicContact CB-CG2 4.35Å; M254-V314 HydrophobicContact CG-CG2 3.76Å; C256-V314 HydrophobicContact CB-CB 4.46Å; C256-V314 HydrophobicContact CB-CG1 4.43Å; C256-V314 VanDerWaalsContact SG-CG1 3.54Å; L262-V314 HydrophobicContact CD2-CB 4.46Å; L262-V314 HydrophobicContact CD2-CG2 3.89Å; V314-I321 HydrophobicContact CG2-CG2 3.45Å; V314-I321 VanDerWaalsContact CG2-CG2 3.45Å; V314-L322 CarbonylContact C-O 3.49Å; V314-L322 WeakPolarHBondContact CA-O 3.49Å
315	R	98.9	Very high	97.9	Very high	17 Å²	17	31.9 Å²	31.9	6%	0.064	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	153.5	169.4	-61.1	-64.5	164.5	-135.6	-20.4	111.9	E197 A244 D245 L322 F370 M372	E197-R315 IonicContact OE2-CZ 3.83Å; E197-R315 IonicContact OE2-NH1 3.37Å; E197-R315 IonicContact OE2-NH2 2.71Å; E197-R315 PolarHBondContact OE2-NH2 2.89Å; A244-R315 PolarHBondContact O-NH1 3.04Å; D245-R315 VanDerWaalsContact OD1-CD 3.27Å; D245-R315 WeakPolarHBondContact OD1-CD 2.98Å; D245-R315 IonicContact OD1-CZ 3.61Å; D245-R315 IonicContact OD1-NE 2.89Å; D245-R315 IonicContact OD1-NH1 2.8Å; D245-R315 PolarHBondContact OD1-NH1 3.07Å; D245-R315 WeakPolarHBondContact OD2-CA 3.27Å; D245-R315 VanDerWaalsContact OD2-CD 3.3Å; D245-R315 WeakPolarHBondContact OD2-CD 3.13Å; R315-L322 PolarHBondContact N-O 2.79Å; R315-L322 PolarHBondContact O-N 2.87Å; R315-F370 HydrophobicContact CB-CE2 3.76Å; R315-F370 HydrophobicContact CB-CZ 4.11Å; R315-F370 HydrophobicContact CG-CD2 4.14Å; R315-F370 HydrophobicContact CG-CE2 3.39Å; R315-F370 HydrophobicContact CG-CZ 3.89Å; R315-M372 HydrophobicContact CB-CE 3.66Å; R315-M372 HydrophobicContact CG-CE 4.22Å
316	W	98.6	Very high	97.9	Very high	2 Å²	2	28 Å²	28	1%	0.008	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	140.8	166.7	-69.5	93.7	0	0	0	111.9	D245 F246 D247 K252 M254 L264 L320 I321 I342 M372 Q376	D245-W316 PolarHBondContact O-NE1 2.78Å; D245-W316 VanDerWaalsContact O-NE1 3.17Å; D245-W316 PolarHBondContact OD2-N 2.93Å; F246-W316 VanDerWaalsContact O-CD1 3.24Å; D247-W316 HydrophobicContact CB-CD2 3.93Å; D247-W316 HydrophobicContact CB-CE3 4.45Å; D247-W316 HydrophobicContact CB-CG 3.97Å; D247-W316 VanDerWaalsContact N-CD1 3.29Å; K252-W316 HydrophobicContact CB-CZ2 4.39Å; K252-W316 HydrophobicContact CD-CH2 3.81Å; K252-W316 HydrophobicContact CD-CZ2 4.14Å; K252-W316 HydrophobicContact CD-CZ3 4.44Å; K252-W316 HydrophobicContact CG-CH2 4.21Å; K252-W316 HydrophobicContact CG-CZ2 4.02Å; M254-W316 HydrophobicContact CB-CZ2 3.81Å; M254-W316 HydrophobicContact CE-CH2 4.18Å; M254-W316 HydrophobicContact CE-CZ2 4.19Å; L264-W316 HydrophobicContact CD1-CH2 3.68Å; L264-W316 HydrophobicContact CD1-CZ2 3.61Å; W316-L320 CarbonylContact C-O 3.5Å; W316-L320 WeakPolarHBondContact CA-O 3.43Å; W316-I321 HydrophobicContact CD2-CG1 4.47Å; W316-I321 HydrophobicContact CE3-CD1 4.35Å; W316-I321 HydrophobicContact CE3-CG1 4.07Å; W316-I321 HydrophobicContact CH2-CD1 4.32Å; W316-I321 HydrophobicContact CH2-CG1 4.47Å; W316-I321 HydrophobicContact CZ3-CD1 3.89Å; W316-I321 HydrophobicContact CZ3-CG1 4.06Å; W316-I342 HydrophobicContact CH2-CD1 4.19Å; W316-I342 HydrophobicContact CH2-CG1 4.19Å; W316-I342 HydrophobicContact CZ3-CD1 4.14Å; W316-I342 HydrophobicContact CZ3-CG1 4.07Å; W316-M372 WeakPolarHBondContact O-CE 3.33Å; W316-Q376 PolarHBondContact O-NE2 2.91Å
317	L	96.8	Very high	97.8	Very high	36 Å²	36	30.7 Å²	30.7	19%	0.188	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	85.2	171.9	177.7	63.1	0	0	0	107.8	D319 L320 L322 M372 Q376 L393	L317-D319 PolarHBondContact O-N 2.81Å; L317-L320 HydrophobicContact CB-CB 4.45Å; L317-L320 PolarHBondContact N-O 3.19Å; L317-L320 WeakPolarHBondContact O-CB 3.28Å; L317-L320 PolarHBondContact O-N 2.93Å; L317-L320 VanDerWaalsContact O-N 3.1Å; L317-L322 HydrophobicContact CB-CD1 4.42Å; L317-L322 HydrophobicContact CB-CG 4.11Å; L317-L322 HydrophobicContact CD2-CD1 4.26Å; L317-L322 HydrophobicContact CD2-CD2 4.11Å; L317-L322 HydrophobicContact CD2-CG 4.26Å; L317-M372 HydrophobicContact CD1-SD 4.28Å; L317-Q376 HydrophobicContact CD1-CB 3.92Å; L317-L393 HydrophobicContact CD1-CD1 4.11Å
318	G	93.8	Very high	97.8	Very high	37 Å²	37	32 Å²	32	38%	0.381	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	-129	-158	0	0	0	0	0	110.5	L320	G318-L320 VanDerWaalsContact C-N 3.26Å; G318-L320 PolarHBondContact O-N 2.99Å
319	D	95.1	Very high	97.8	Very high	93 Å²	93	21.5 Å²	21.5	50%	0.497	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	0.7	177.3	-54	-52.2	0	0	0	114	L317 I342	L317-D319 PolarHBondContact O-N 2.81Å; D319-I342 HydrophobicContact CB-CB 4.14Å; D319-I342 HydrophobicContact CB-CG2 3.79Å; D319-I342 WeakPolarHBondContact OD1-CG2 3.28Å
320	L	96.8	Very high	97.8	Very high	52 Å²	52	18.5 Å²	18.5	27%	0.272	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	157.9	177.4	-49.8	-177	0	0	0	110.7	W316 L317 G318 K334 L355	W316-L320 CarbonylContact C-O 3.5Å; W316-L320 WeakPolarHBondContact CA-O 3.43Å; L317-L320 HydrophobicContact CB-CB 4.45Å; L317-L320 PolarHBondContact N-O 3.19Å; L317-L320 WeakPolarHBondContact O-CB 3.28Å; L317-L320 PolarHBondContact O-N 2.93Å; L317-L320 VanDerWaalsContact O-N 3.1Å; G318-L320 VanDerWaalsContact C-N 3.26Å; G318-L320 PolarHBondContact O-N 2.99Å; L320-K334 HydrophobicContact CD2-CB 4.11Å; L320-K334 HydrophobicContact CD2-CD 4.32Å; L320-L355 HydrophobicContact CD1-CD1 3.65Å; L320-L355 HydrophobicContact CD2-CD1 3.45Å; L320-L355 VanDerWaalsContact CD2-CD1 3.45Å; L320-L355 HydrophobicContact CG-CD1 4.11Å
321	I	98.6	Very high	97.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.7	175.3	-60.8	96.4	0	0	0	110.1	M254 L262 V314 W316 C332 W333 P335	M254-I321 HydrophobicContact CE-CD1 3.92Å; M254-I321 HydrophobicContact CE-CG1 3.97Å; M254-I321 HydrophobicContact CG-CG1 4.28Å; M254-I321 HydrophobicContact CG-CG2 4.29Å; L262-I321 HydrophobicContact CD2-CG2 4.35Å; V314-I321 HydrophobicContact CG2-CG2 3.45Å; V314-I321 VanDerWaalsContact CG2-CG2 3.45Å; W316-I321 HydrophobicContact CD2-CG1 4.47Å; W316-I321 HydrophobicContact CE3-CD1 4.35Å; W316-I321 HydrophobicContact CE3-CG1 4.07Å; W316-I321 HydrophobicContact CH2-CD1 4.32Å; W316-I321 HydrophobicContact CH2-CG1 4.47Å; W316-I321 HydrophobicContact CZ3-CD1 3.89Å; W316-I321 HydrophobicContact CZ3-CG1 4.06Å; I321-C332 WeakPolarHBondContact O-CA 3.46Å; I321-W333 HydrophobicContact CB-CD2 4.37Å; I321-W333 HydrophobicContact CB-CZ2 3.88Å; I321-W333 HydrophobicContact CD1-CH2 4.18Å; I321-W333 HydrophobicContact CD1-CZ2 4.16Å; I321-W333 HydrophobicContact CD1-CZ3 4.49Å; I321-W333 HydrophobicContact CG1-CZ2 4.18Å; I321-W333 HydrophobicContact CG2-CZ2 3.82Å; I321-W333 PolarHBondContact N-O 2.84Å; I321-W333 PolarHBondContact O-N 2.9Å; I321-P335 HydrophobicContact CD1-CG 4.26Å
322	L	98.8	Very high	97.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	133.5	161.8	-60.3	-172.6	0	0	0	108.8	V314 R315 L317 I330 C332 F358 F370 M372 L379	V314-L322 CarbonylContact C-O 3.49Å; V314-L322 WeakPolarHBondContact CA-O 3.49Å; R315-L322 PolarHBondContact N-O 2.79Å; R315-L322 PolarHBondContact O-N 2.87Å; L317-L322 HydrophobicContact CB-CD1 4.42Å; L317-L322 HydrophobicContact CB-CG 4.11Å; L317-L322 HydrophobicContact CD2-CD1 4.26Å; L317-L322 HydrophobicContact CD2-CD2 4.11Å; L317-L322 HydrophobicContact CD2-CG 4.26Å; L322-I330 HydrophobicContact CB-CG2 3.99Å; L322-I330 HydrophobicContact CD2-CG2 4.34Å; L322-C332 HydrophobicContact CD2-CB 3.73Å; L322-F358 HydrophobicContact CD2-CD2 4.49Å; L322-F358 HydrophobicContact CD2-CE2 3.67Å; L322-F358 HydrophobicContact CD2-CZ 4.45Å; L322-F370 HydrophobicContact CB-CE2 3.88Å; L322-F370 HydrophobicContact CB-CZ 3.71Å; L322-F370 HydrophobicContact CD1-CE2 4.29Å; L322-M372 HydrophobicContact CD1-CE 4.3Å; L322-M372 HydrophobicContact CD1-SD 3.72Å; L322-L379 HydrophobicContact CD1-CD1 4.12Å; L322-L379 HydrophobicContact CD1-CD2 4.3Å
323	S	98.8	Very high	97.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	151.2	177.5	53.4	0	0	0	0	111.8	H307 C313 I330 V331 W333	H307-S323 PolarHBondContact CE1-O 3.3Å; H307-S323 VanDerWaalsContact CE1-O 3.3Å; H307-S323 WeakPolarHBondContact NE2-CB 3.44Å; H307-S323 PolarHBondContact NE2-OG 3.39Å; C313-S323 VanDerWaalsContact O-CA 3.32Å; C313-S323 WeakPolarHBondContact O-CA 3.19Å; S323-I330 CarbonylContact O-C 3.59Å; S323-I330 WeakPolarHBondContact O-CA 3.47Å; S323-V331 PolarHBondContact N-O 2.93Å; S323-V331 PolarHBondContact O-N 3.44Å; S323-W333 PolarHBondContact OG-NE1 3.48Å
324	K	98.8	Very high	97.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	161.5	175.9	63.1	167.6	-77.1	-75.8	0	113.7	V311 D312 C313 I330 Y360 M368 F370 L381	V311-K324 WeakPolarHBondContact CA-O 3.21Å; V311-K324 WeakPolarHBondContact CG1-O 3.5Å; D312-K324 PolarHBondContact N-O 2.89Å; D312-K324 IonicContact OD1-NZ 3.27Å; D312-K324 PolarHBondContact OD1-NZ 2.9Å; D312-K324 IonicContact OD2-NZ 2.95Å; D312-K324 PolarHBondContact OD2-NZ 2.6Å; C313-K324 HydrophobicContact CB-CD 4.46Å; C313-K324 HydrophobicContact CB-CG 4Å; C313-K324 PolarHBondContact O-N 3.13Å; C313-K324 VanDerWaalsContact O-N 3.1Å; K324-I330 HydrophobicContact CB-CG1 3.83Å; K324-I330 HydrophobicContact CD-CG1 4.36Å; K324-I330 HydrophobicContact CG-CG1 4.37Å; K324-Y360 VanDerWaalsContact CE-OH 3.31Å; K324-Y360 WeakPolarHBondContact CE-OH 3.28Å; K324-M368 WeakPolarHBondContact CD-O 3.4Å; K324-M368 WeakPolarHBondContact CE-O 3.37Å; K324-M368 PolarHBondContact NZ-O 2.81Å; K324-F370 HydrophobicContact CD-CD1 3.99Å; K324-F370 HydrophobicContact CG-CD1 3.91Å; K324-F370 HydrophobicContact CG-CE1 4.07Å; K324-L381 HydrophobicContact CD-CD1 4.32Å; K324-L381 HydrophobicContact CD-CD2 4.13Å
325	S	98.6	Very high	97.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.106	C	C	.	.			trans	-135.5	-162.8	173.3	-173.5	0	0	0	0	108.5	H307 Y310 E327	H307-S325 WeakPolarHBondContact ND1-CB 3.24Å; Y310-S325 WeakPolarHBondContact O-CA 3.45Å; Y310-S325 WeakPolarHBondContact O-CB 3.43Å; Y310-S325 PolarHBondContact O-OG 2.9Å; S325-E327 PolarHBondContact O-N 2.64Å
326	C	97.4	Very high	97.7	Very high	31 Å²	31	18 Å²	18	21%	0.209	10%	0.103	C	C	.	.	S	Bend	trans	-72.7	-1.2	172.8	70.9	0	0	0	0	114	N309 Y310 N328 D364	N309-C326 PolarHBondContact ND2-SG 2.87Å; Y310-C326 HydrophobicContact CE1-CB 4.06Å; Y310-C326 WeakPolarHBondContact OH-CB 3.46Å; C326-N328 PolarHBondContact O-N 3.16Å; C326-D364 HydrophobicContact CB-CB 4.37Å; C326-D364 WeakPolarHBondContact CB-O 3.39Å
327	E	97.1	Very high	97.6	Very high	62 Å²	62	22.4 Å²	22.4	29%	0.29	12%	0.123	S	C	.	.	S	Bend	trans	-69.8	9	-175.2	-62.1	-171.7	-167.3	0	0	114.8	R308 S325 A329 R357	R308-E327 PolarHBondContact N-OE1 2.67Å; S325-E327 PolarHBondContact O-N 2.64Å; E327-A329 PolarHBondContact O-N 2.86Å; E327-R357 IonicContact OE2-CZ 2.73Å; E327-R357 IonicContact OE2-NH1 2.69Å; E327-R357 PolarHBondContact OE2-NH1 2.69Å; E327-R357 IonicContact OE2-NH2 3.69Å
328	N	97.6	Very high	97.5	Very high	33 Å²	33	26.7 Å²	26.7	18%	0.176	14%	0.143	C	C	.	.	S	Bend	trans	55.1	26.2	-174.8	-77.9	-87.3	0	0	0	115	C326 Y360 S361 Q362 C363 D364	C326-N328 PolarHBondContact O-N 3.16Å; N328-Y360 VanDerWaalsContact C-CZ 3.45Å; N328-Y360 VanDerWaalsContact CA-CE2 3.46Å; N328-Y360 HydrophobicContact CB-CD2 4.31Å; N328-Y360 HydrophobicContact CB-CE2 4.34Å; N328-Y360 WeakPolarHBondContact O-CD2 3.37Å; N328-Y360 PolarHBondContact O-N 2.84Å; N328-S361 VanDerWaalsContact OD1-C 3.22Å; N328-S361 VanDerWaalsContact OD1-CA 3.28Å; N328-S361 WeakPolarHBondContact OD1-CA 3.29Å; N328-Q362 PolarHBondContact OD1-N 3.04Å; N328-C363 PolarHBondContact OD1-N 2.86Å; N328-D364 PolarHBondContact ND2-OD2 2.94Å
329	A	97.3	Very high	97.5	Very high	2 Å²	2	31.6 Å²	31.6	2%	0.017	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	147.6	176	0	0	0	0	0	112.4	E327 R357 F358 D359 Y360	E327-A329 PolarHBondContact O-N 2.86Å; A329-R357 HydrophobicContact CB-CB 4.38Å; A329-F358 WeakPolarHBondContact CA-O 3.44Å; A329-D359 WeakPolarHBondContact CB-OD1 3.18Å; A329-Y360 VanDerWaalsContact C-CE1 3.44Å; A329-Y360 VanDerWaalsContact C-OH 3.22Å; A329-Y360 VanDerWaalsContact CA-CE1 3.49Å; A329-Y360 PolarHBondContact N-OH 3.47Å; A329-Y360 PolarHBondContact O-OH 2.9Å
330	I	98.5	Very high	97.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.7	161.9	-71.1	153	0	0	0	106.8	L322 S323 K324 R357 F358 Y360 F370 L379 L381	L322-I330 HydrophobicContact CB-CG2 3.99Å; L322-I330 HydrophobicContact CD2-CG2 4.34Å; S323-I330 CarbonylContact O-C 3.59Å; S323-I330 WeakPolarHBondContact O-CA 3.47Å; K324-I330 HydrophobicContact CB-CG1 3.83Å; K324-I330 HydrophobicContact CD-CG1 4.36Å; K324-I330 HydrophobicContact CG-CG1 4.37Å; I330-R357 CarbonylContact O-C 3.58Å; I330-R357 WeakPolarHBondContact O-CA 3.32Å; I330-F358 HydrophobicContact CB-CB 4.28Å; I330-F358 HydrophobicContact CB-CD2 4.25Å; I330-F358 HydrophobicContact CG2-CD2 4.03Å; I330-F358 PolarHBondContact N-O 3.45Å; I330-F358 PolarHBondContact O-N 3.21Å; I330-Y360 HydrophobicContact CB-CE1 4.39Å; I330-Y360 HydrophobicContact CD1-CE1 4.06Å; I330-Y360 HydrophobicContact CG1-CE1 3.84Å; I330-Y360 VanDerWaalsContact N-CE1 3.34Å; I330-F370 HydrophobicContact CD1-CB 3.87Å; I330-F370 HydrophobicContact CD1-CD1 3.85Å; I330-F370 HydrophobicContact CD1-CD2 4.44Å; I330-F370 HydrophobicContact CD1-CE1 4.49Å; I330-F370 HydrophobicContact CD1-CG 3.83Å; I330-F370 HydrophobicContact CG1-CD1 3.92Å; I330-F370 HydrophobicContact CG1-CE1 4.22Å; I330-F370 HydrophobicContact CG1-CG 4.4Å; I330-F370 HydrophobicContact CG2-CE1 4.48Å; I330-L379 HydrophobicContact CD1-CD1 4.3Å; I330-L379 HydrophobicContact CD1-CD2 4.05Å; I330-L379 HydrophobicContact CD1-CG 4.42Å; I330-L381 HydrophobicContact CD1-CB 4.38Å; I330-L381 HydrophobicContact CD1-CD2 4.01Å
331	V	98.4	Very high	97.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	127	178	-173.5	0	0	0	0	109.2	I306 S323 W333 I354 R357	I306-V331 HydrophobicContact CG2-CB 4Å; I306-V331 HydrophobicContact CG2-CG1 3.8Å; I306-V331 HydrophobicContact CG2-CG2 4.44Å; S323-V331 PolarHBondContact N-O 2.93Å; S323-V331 PolarHBondContact O-N 3.44Å; V331-W333 HydrophobicContact CG1-CB 4.42Å; V331-I354 HydrophobicContact CG1-CD1 4.36Å; V331-I354 HydrophobicContact CG1-CG1 4.18Å; V331-I354 HydrophobicContact CG1-CG2 3.81Å; V331-R357 HydrophobicContact CG2-CG 4.27Å
332	C	98.1	Very high	97.3	Very high	1 Å²	1	31 Å²	31	1%	0.007	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121.9	168.3	-175.7	0	0	0	0	109.1	I321 L322 L355 G356 F358 P398	I321-C332 WeakPolarHBondContact O-CA 3.46Å; L322-C332 HydrophobicContact CD2-CB 3.73Å; C332-L355 PolarHBondContact O-N 2.71Å; C332-G356 PolarHBondContact N-O 2.75Å; C332-G356 PolarHBondContact O-N 3.49Å; C332-F358 HydrophobicContact CB-CE2 4.08Å; C332-P398 HydrophobicContact CB-CB 4.33Å; C332-P398 HydrophobicContact CB-CG 3.88Å
333	W	98.2	Very high	97.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	171.8	-174.8	68.5	-78.6	0	0	0	111.9	M254 L262 F301 T303 I306 I321 S323 V331 P335 V352 T353 I354	M254-W333 HydrophobicContact CE-CH2 4.32Å; L262-W333 HydrophobicContact CB-CH2 4.28Å; L262-W333 HydrophobicContact CB-CZ2 3.92Å; L262-W333 HydrophobicContact CD1-CZ2 4.37Å; L262-W333 HydrophobicContact CD2-CZ2 3.8Å; L262-W333 HydrophobicContact CG-CZ2 4.23Å; F301-W333 AromaticContact CE1-CH2 3.87Å; F301-W333 HydrophobicContact CE1-CH2 3.87Å; F301-W333 AromaticContact CE1-CZ3 3.79Å; F301-W333 HydrophobicContact CE1-CZ3 3.79Å; F301-W333 HydrophobicContact CZ-CZ3 4.33Å; T303-W333 HydrophobicContact CG2-CH2 3.78Å; T303-W333 HydrophobicContact CG2-CZ2 4.44Å; T303-W333 HydrophobicContact CG2-CZ3 3.95Å; I306-W333 HydrophobicContact CD1-CB 4.12Å; I306-W333 HydrophobicContact CD1-CD2 3.55Å; I306-W333 HydrophobicContact CD1-CE3 3.57Å; I306-W333 HydrophobicContact CD1-CG 3.77Å; I306-W333 HydrophobicContact CD1-CZ3 4.31Å; I306-W333 HydrophobicContact CG1-CD2 3.76Å; I306-W333 HydrophobicContact CG1-CE3 4.02Å; I306-W333 HydrophobicContact CG1-CG 4.15Å; I306-W333 HydrophobicContact CG1-CZ2 4.36Å; I306-W333 HydrophobicContact CG1-CZ3 4.44Å; I306-W333 HydrophobicContact CG2-CD2 4.47Å; I306-W333 HydrophobicContact CG2-CG 4.08Å; I321-W333 HydrophobicContact CB-CD2 4.37Å; I321-W333 HydrophobicContact CB-CZ2 3.88Å; I321-W333 HydrophobicContact CD1-CH2 4.18Å; I321-W333 HydrophobicContact CD1-CZ2 4.16Å; I321-W333 HydrophobicContact CD1-CZ3 4.49Å; I321-W333 HydrophobicContact CG1-CZ2 4.18Å; I321-W333 HydrophobicContact CG2-CZ2 3.82Å; I321-W333 PolarHBondContact N-O 2.84Å; I321-W333 PolarHBondContact O-N 2.9Å; S323-W333 PolarHBondContact OG-NE1 3.48Å; V331-W333 HydrophobicContact CG1-CB 4.42Å; W333-P335 HydrophobicContact CH2-CG 4.28Å; W333-P335 HydrophobicContact CZ3-CB 4.46Å; W333-P335 HydrophobicContact CZ3-CG 3.88Å; W333-V352 HydrophobicContact CE3-CB 4.34Å; W333-V352 HydrophobicContact CE3-CG1 4.06Å; W333-V352 HydrophobicContact CZ3-CG1 3.93Å; W333-T353 CarbonylContact C-O 3.57Å; W333-T353 WeakPolarHBondContact CA-O 3.43Å; W333-T353 WeakPolarHBondContact CB-O 3.17Å; W333-I354 HydrophobicContact CB-CG1 4.21Å
334	K	97.8	Very high	96.9	Very high	29 Å²	29	41 Å²	41	13%	0.126	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	152.4	169.8	58.6	176.4	-69.9	-174.7	0	111.7	L320 K337 M338 D340 T353 L355	L320-K334 HydrophobicContact CD2-CB 4.11Å; L320-K334 HydrophobicContact CD2-CD 4.32Å; K334-K337 WeakPolarHBondContact CE-O 3.09Å; K334-K337 PolarHBondContact NZ-O 2.79Å; K334-M338 PolarHBondContact NZ-O 3.1Å; K334-D340 WeakPolarHBondContact CE-O 3.23Å; K334-D340 PolarHBondContact NZ-O 2.78Å; K334-T353 PolarHBondContact N-O 2.83Å; K334-T353 PolarHBondContact O-N 3.22Å; K334-L355 HydrophobicContact CG-CD1 4.5Å
335	P	98.2	Very high	96.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	153.3	166.2	-18.5	33.3	0	0	0	110.9	F301 I321 W333 I342 I345	F301-P335 HydrophobicContact CD1-CB 3.84Å; F301-P335 HydrophobicContact CD1-CG 3.77Å; F301-P335 HydrophobicContact CD2-CB 4Å; F301-P335 HydrophobicContact CE1-CB 3.72Å; F301-P335 HydrophobicContact CE1-CG 3.8Å; F301-P335 HydrophobicContact CE2-CB 3.88Å; F301-P335 HydrophobicContact CG-CB 3.98Å; F301-P335 HydrophobicContact CG-CG 4.28Å; F301-P335 HydrophobicContact CZ-CB 3.74Å; F301-P335 HydrophobicContact CZ-CG 4.32Å; I321-P335 HydrophobicContact CD1-CG 4.26Å; W333-P335 HydrophobicContact CH2-CG 4.28Å; W333-P335 HydrophobicContact CZ3-CB 4.46Å; W333-P335 HydrophobicContact CZ3-CG 3.88Å; P335-I342 HydrophobicContact CB-CD1 4.49Å; P335-I342 HydrophobicContact CG-CD1 3.72Å; P335-I345 HydrophobicContact CB-CD1 4.18Å; P335-I345 HydrophobicContact CB-CG1 4.11Å; P335-I345 HydrophobicContact CB-CG2 4.08Å
336	G	97.7	Very high	96.6	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	68.3	-159.8	-177.7	0	0	0	0	0	113.1	N351 V352 T353	G336-N351 WeakPolarHBondContact CA-O 3.08Å; G336-N351 PolarHBondContact N-O 2.86Å; G336-V352 CarbonylContact O-C 3.54Å; G336-V352 VanDerWaalsContact O-C 3.31Å; G336-V352 WeakPolarHBondContact O-CA 3.22Å; G336-T353 PolarHBondContact O-N 3.24Å; G336-T353 PolarHBondContact O-OG1 3.05Å
337	K	97.1	Very high	96.5	Very high	95 Å²	95	50.8 Å²	50.8	41%	0.413	25%	0.25	S	S	.	.			trans	-84.8	177.7	178.9	-59.3	171.3	-172.4	164.9	0	111.7	K334 E339 D340 N351 T353	K334-K337 WeakPolarHBondContact CE-O 3.09Å; K334-K337 PolarHBondContact NZ-O 2.79Å; K337-E339 VanDerWaalsContact C-N 3.25Å; K337-E339 HydrophobicContact CB-CG 4.45Å; K337-E339 WeakPolarHBondContact CB-OE2 3.26Å; K337-E339 PolarHBondContact O-N 3.39Å; K337-D340 WeakPolarHBondContact CB-OD2 3.28Å; K337-D340 WeakPolarHBondContact CG-OD2 3.48Å; K337-D340 PolarHBondContact N-OD2 2.69Å; K337-D340 PolarHBondContact O-N 3.23Å; K337-N351 HydrophobicContact CG-CB 4.43Å; K337-T353 WeakPolarHBondContact CA-OG1 3.46Å
338	M	94.1	Very high	96.3	Very high	125 Å²	125	54.1 Å²	54.1	62%	0.616	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-43.4	177.3	-171.7	66.3	-171.1	0	0	111.5	K334 T353 L355	K334-M338 PolarHBondContact NZ-O 3.1Å; M338-T353 HydrophobicContact CB-CG2 4.41Å; M338-T353 PolarHBondContact N-OG1 2.89Å; M338-T353 HydrophobicContact SD-CG2 4.16Å; M338-L355 HydrophobicContact CE-CD2 3.96Å; M338-L355 HydrophobicContact SD-CD2 3.43Å; M338-L355 WeakPolarHBondContact SD-CD2 3.47Å
339	E	95.3	Very high	96.3	Very high	141 Å²	141	54.9 Å²	54.9	66%	0.659	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-13.8	-175.4	64.8	-88.4	-153.2	0	0	115.5	K337	K337-E339 VanDerWaalsContact C-N 3.25Å; K337-E339 HydrophobicContact CB-CG 4.45Å; K337-E339 WeakPolarHBondContact CB-OE2 3.26Å; K337-E339 PolarHBondContact O-N 3.39Å
340	D	96.2	Very high	96.2	Very high	46 Å²	46	59.4 Å²	59.4	25%	0.246	30%	0.304	C	S	.	.			trans	-74.8	135.3	-173.3	-68.2	-32.3	0	0	0	112.1	K334 K337 I345	K334-D340 WeakPolarHBondContact CE-O 3.23Å; K334-D340 PolarHBondContact NZ-O 2.78Å; K337-D340 WeakPolarHBondContact CB-OD2 3.28Å; K337-D340 WeakPolarHBondContact CG-OD2 3.48Å; K337-D340 PolarHBondContact N-OD2 2.69Å; K337-D340 PolarHBondContact O-N 3.23Å; D340-I345 HydrophobicContact CB-CD1 3.94Å
341	D	95.1	Very high	96.2	Very high	80 Å²	80	62.9 Å²	62.9	43%	0.428	32%	0.323	S	S	.	.			trans	-78.5	129.3	176.2	174.3	-3.6	0	0	0	110.9	D343 H344 I345	D341-D343 PolarHBondContact O-N 3.08Å; D341-D343 VanDerWaalsContact O-N 3.15Å; D341-D343 PolarHBondContact OD1-N 2.92Å; D341-H344 HydrophobicContact CB-CB 4.22Å; D341-H344 PolarHBondContact O-N 3.11Å; D341-H344 IonicContact OD2-CE1 3.38Å; D341-H344 PolarHBondContact OD2-CE1 3.21Å; D341-H344 IonicContact OD2-CG 2.73Å; D341-H344 IonicContact OD2-ND1 3.54Å; D341-H344 PolarHBondContact OD2-ND1 3.01Å; D341-I345 WeakPolarHBondContact O-CG1 3.41Å; D341-I345 PolarHBondContact O-N 3.06Å
342	I	94.6	Very high	96.2	Very high	7 Å²	7	64.8 Å²	64.8	4%	0.036	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-34.4	-177.9	-169.4	63.6	0	0	0	112.8	K252 R266 W316 D319 P335 I345	K252-I342 HydrophobicContact CD-CG1 4.29Å; R266-I342 PolarHBondContact NH2-O 3.18Å; W316-I342 HydrophobicContact CH2-CD1 4.19Å; W316-I342 HydrophobicContact CH2-CG1 4.19Å; W316-I342 HydrophobicContact CZ3-CD1 4.14Å; W316-I342 HydrophobicContact CZ3-CG1 4.07Å; D319-I342 HydrophobicContact CB-CB 4.14Å; D319-I342 HydrophobicContact CB-CG2 3.79Å; D319-I342 WeakPolarHBondContact OD1-CG2 3.28Å; P335-I342 HydrophobicContact CB-CD1 4.49Å; P335-I342 HydrophobicContact CG-CD1 3.72Å; I342-I345 HydrophobicContact CD1-CG1 4.49Å; I342-I345 WeakPolarHBondContact O-CB 3.38Å; I342-I345 WeakPolarHBondContact O-CG1 3.42Å
343	D	93.8	Very high	96.2	Very high	64 Å²	64	66.1 Å²	66.1	34%	0.342	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-6.2	-176.8	-70.6	-35.6	0	0	0	113.2	K252 R266 D341	K252-D343 WeakPolarHBondContact CD-OD1 3.34Å; K252-D343 IonicContact NZ-OD1 3.94Å; K252-D343 PolarHBondContact NZ-OD1 3.17Å; K252-D343 IonicContact NZ-OD2 2.74Å; K252-D343 PolarHBondContact NZ-OD2 3.01Å; R266-D343 IonicContact CZ-OD1 3.27Å; R266-D343 IonicContact NH1-OD1 3Å; R266-D343 PolarHBondContact NH1-OD1 2.84Å; D341-D343 PolarHBondContact O-N 3.08Å; D341-D343 VanDerWaalsContact O-N 3.15Å; D341-D343 PolarHBondContact OD1-N 2.92Å
344	H	94.7	Very high	96.1	Very high	145 Å²	145	70 Å²	70	67%	0.671	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-5	167.9	-69	99.9	0	0	0	114.1	D341	D341-H344 HydrophobicContact CB-CB 4.22Å; D341-H344 PolarHBondContact O-N 3.11Å; D341-H344 IonicContact OD2-CE1 3.38Å; D341-H344 PolarHBondContact OD2-CE1 3.21Å; D341-H344 IonicContact OD2-CG 2.73Å; D341-H344 IonicContact OD2-ND1 3.54Å; D341-H344 PolarHBondContact OD2-ND1 3.01Å
345	I	95.7	Very high	96	Very high	12 Å²	12	70.4 Å²	70.4	6%	0.062	37%	0.366	C	S	.	.			trans	-59	133.8	171.6	-60.6	-65.5	0	0	0	110.8	R266 F301 P335 D340 D341 I342 E349	R266-I345 PolarHBondContact NH2-O 3.23Å; F301-I345 HydrophobicContact CB-CG2 4.01Å; F301-I345 HydrophobicContact CD2-CG2 3.91Å; F301-I345 HydrophobicContact CG-CG2 4.17Å; P335-I345 HydrophobicContact CB-CD1 4.18Å; P335-I345 HydrophobicContact CB-CG1 4.11Å; P335-I345 HydrophobicContact CB-CG2 4.08Å; D340-I345 HydrophobicContact CB-CD1 3.94Å; D341-I345 WeakPolarHBondContact O-CG1 3.41Å; D341-I345 PolarHBondContact O-N 3.06Å; I342-I345 HydrophobicContact CD1-CG1 4.49Å; I342-I345 WeakPolarHBondContact O-CB 3.38Å; I342-I345 WeakPolarHBondContact O-CG1 3.42Å; I345-E349 HydrophobicContact CD1-CG 4.37Å; I345-E349 HydrophobicContact CG2-CB 4.03Å; I345-E349 HydrophobicContact CG2-CG 4.32Å
346	K	95.3	Very high	95.8	Very high	134 Å²	134	70.4 Å²	70.4	58%	0.583	37%	0.366	S	S	*	.			trans	-102	155.2	-177.6	-63.8	174.3	-176.3	168.8	0	111.9	D300 N348 E349	D300-K346 CarbonylContact O-C 3.33Å; K346-N348 WeakPolarHBondContact CB-OD1 3.37Å; K346-N348 PolarHBondContact O-N 2.79Å; K346-E349 VanDerWaalsContact O-CB 3.27Å; K346-E349 WeakPolarHBondContact O-CB 3.42Å; K346-E349 PolarHBondContact O-N 2.78Å
347	P	95.3	Very high	95.7	Very high	90 Å²	90	74.3 Å²	74.3	58%	0.584	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.6	177.4	-24	33.1	0	0	0	115.7	D300	D300-P347 VanDerWaalsContact O-CA 3.23Å; D300-P347 WeakPolarHBondContact O-CA 3.3Å
348	N	93.9	Very high	95.6	Very high	133 Å²	133	70 Å²	70	71%	0.711	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	12.3	177.7	75.7	-64.2	0	0	0	113.6	K346	K346-N348 WeakPolarHBondContact CB-OD1 3.37Å; K346-N348 PolarHBondContact O-N 2.79Å
349	E	97	Very high	95.6	Very high	49 Å²	49	69.2 Å²	69.2	23%	0.229	36%	0.36	C	S	.	.			trans	-69.4	137.1	172.3	-174.4	48.2	-113.6	0	0	110.3	F301 I345 K346 N351	F301-E349 HydrophobicContact CD2-CB 4.19Å; F301-E349 HydrophobicContact CE2-CB 4.39Å; F301-E349 HydrophobicContact CE2-CG 4.46Å; I345-E349 HydrophobicContact CD1-CG 4.37Å; I345-E349 HydrophobicContact CG2-CB 4.03Å; I345-E349 HydrophobicContact CG2-CG 4.32Å; K346-E349 VanDerWaalsContact O-CB 3.27Å; K346-E349 WeakPolarHBondContact O-CB 3.42Å; K346-E349 PolarHBondContact O-N 2.78Å; E349-N351 WeakPolarHBondContact OE1-CB 3.32Å; E349-N351 PolarHBondContact OE1-N 3.01Å; E349-N351 PolarHBondContact OE1-ND2 3Å
350	S	95.6	Very high	95.7	Very high	96 Å²	96	63.5 Å²	63.5	67%	0.671	33%	0.333	S	S	*	.			trans	-124.9	-8	-173	59.5	0	0	0	0	113.8
351	N	97.9	Very high	95.7	Very high	73 Å²	73	63.8 Å²	63.8	39%	0.39	34%	0.338	S	S	.	.			trans	-82.3	149.8	174.1	-61.2	-86.2	0	0	0	110.7	G336 K337 E349	G336-N351 WeakPolarHBondContact CA-O 3.08Å; G336-N351 PolarHBondContact N-O 2.86Å; K337-N351 HydrophobicContact CG-CB 4.43Å; E349-N351 WeakPolarHBondContact OE1-CB 3.32Å; E349-N351 PolarHBondContact OE1-N 3.01Å; E349-N351 PolarHBondContact OE1-ND2 3Å
352	V	98.3	Very high	95.8	Very high	41 Å²	41	63.9 Å²	63.9	25%	0.248	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	144.8	167.9	-73	0	0	0	0	109.4	F301 T303 D305 I306 W333 G336	F301-V352 HydrophobicContact CE1-CG1 4.47Å; F301-V352 HydrophobicContact CZ-CG1 3.73Å; T303-V352 HydrophobicContact CG2-CG1 4.09Å; D305-V352 HydrophobicContact CB-CG2 4.2Å; I306-V352 HydrophobicContact CD1-CB 3.81Å; I306-V352 HydrophobicContact CD1-CG1 4.01Å; I306-V352 HydrophobicContact CD1-CG2 3.8Å; W333-V352 HydrophobicContact CE3-CB 4.34Å; W333-V352 HydrophobicContact CE3-CG1 4.06Å; W333-V352 HydrophobicContact CZ3-CG1 3.93Å; G336-V352 CarbonylContact O-C 3.54Å; G336-V352 VanDerWaalsContact O-C 3.31Å; G336-V352 WeakPolarHBondContact O-CA 3.22Å
353	T	98.1	Very high	95.9	Very high	29 Å²	29	63.5 Å²	63.5	18%	0.178	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	110.4	178.2	-59.7	0	0	0	0	109.8	W333 K334 G336 K337 M338 L355	W333-T353 CarbonylContact C-O 3.57Å; W333-T353 WeakPolarHBondContact CA-O 3.43Å; W333-T353 WeakPolarHBondContact CB-O 3.17Å; K334-T353 PolarHBondContact N-O 2.83Å; K334-T353 PolarHBondContact O-N 3.22Å; G336-T353 PolarHBondContact O-N 3.24Å; G336-T353 PolarHBondContact O-OG1 3.05Å; K337-T353 WeakPolarHBondContact CA-OG1 3.46Å; M338-T353 HydrophobicContact CB-CG2 4.41Å; M338-T353 PolarHBondContact N-OG1 2.89Å; M338-T353 HydrophobicContact SD-CG2 4.16Å; T353-L355 HydrophobicContact CG2-CD2 3.93Å
354	I	97.2	Very high	96	Very high	81 Å²	81	63.8 Å²	63.8	42%	0.415	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	122.9	171.1	-64	173.3	0	0	0	108.4	I306 V331 W333	I306-I354 HydrophobicContact CD1-CG1 4.29Å; V331-I354 HydrophobicContact CG1-CD1 4.36Å; V331-I354 HydrophobicContact CG1-CG1 4.18Å; V331-I354 HydrophobicContact CG1-CG2 3.81Å; W333-I354 HydrophobicContact CB-CG1 4.21Å
355	L	95	Very high	96.1	Very high	37 Å²	37	59.8 Å²	59.8	19%	0.194	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-29.5	-177	-62	171.5	0	0	0	112	L320 C332 K334 M338 T353 H399	L320-L355 HydrophobicContact CD1-CD1 3.65Å; L320-L355 HydrophobicContact CD2-CD1 3.45Å; L320-L355 VanDerWaalsContact CD2-CD1 3.45Å; L320-L355 HydrophobicContact CG-CD1 4.11Å; C332-L355 PolarHBondContact O-N 2.71Å; K334-L355 HydrophobicContact CG-CD1 4.5Å; M338-L355 HydrophobicContact CE-CD2 3.96Å; M338-L355 HydrophobicContact SD-CD2 3.43Å; M338-L355 WeakPolarHBondContact SD-CD2 3.47Å; T353-L355 HydrophobicContact CG2-CD2 3.93Å; L355-H399 PolarHBondContact O-CE1 2.91Å; L355-H399 VanDerWaalsContact O-CE1 3.23Å
356	G	93.9	Very high	95.8	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.4	-172.5	168.4	0	0	0	0	0	114.4	C332 H399	C332-G356 PolarHBondContact N-O 2.75Å; C332-G356 PolarHBondContact O-N 3.49Å; G356-H399 WeakPolarHBondContact CA-CE1 3.28Å; G356-H399 VanDerWaalsContact CA-NE2 3.32Å; G356-H399 WeakPolarHBondContact CA-NE2 3.15Å
357	R	94.9	Very high	95.7	Very high	82 Å²	82	57.4 Å²	57.4	31%	0.309	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144.1	-178.1	-63.3	-172.5	173.3	-141.2	-9.3	111.4	E327 A329 I330 V331 D359	E327-R357 IonicContact OE2-CZ 2.73Å; E327-R357 IonicContact OE2-NH1 2.69Å; E327-R357 PolarHBondContact OE2-NH1 2.69Å; E327-R357 IonicContact OE2-NH2 3.69Å; A329-R357 HydrophobicContact CB-CB 4.38Å; I330-R357 CarbonylContact O-C 3.58Å; I330-R357 WeakPolarHBondContact O-CA 3.32Å; V331-R357 HydrophobicContact CG2-CG 4.27Å; R357-D359 WeakPolarHBondContact CB-OD1 3.42Å
358	F	95.7	Very high	95.8	Very high	5 Å²	5	53.1 Å²	53.1	2%	0.022	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	96.7	168.1	-54.1	-96.6	0	0	0	107.5	L322 A329 I330 C332 Y360 L379 W391 L393 P398 A401	L322-F358 HydrophobicContact CD2-CD2 4.49Å; L322-F358 HydrophobicContact CD2-CE2 3.67Å; L322-F358 HydrophobicContact CD2-CZ 4.45Å; A329-F358 WeakPolarHBondContact CA-O 3.44Å; I330-F358 HydrophobicContact CB-CB 4.28Å; I330-F358 HydrophobicContact CB-CD2 4.25Å; I330-F358 HydrophobicContact CG2-CD2 4.03Å; I330-F358 PolarHBondContact N-O 3.45Å; I330-F358 PolarHBondContact O-N 3.21Å; C332-F358 HydrophobicContact CB-CE2 4.08Å; F358-Y360 VanDerWaalsContact O-CD1 3.26Å; F358-Y360 WeakPolarHBondContact O-CD1 3.42Å; F358-Y360 WeakPolarHBondContact O-CE1 3.45Å; F358-L379 HydrophobicContact CB-CD2 4.4Å; F358-L379 HydrophobicContact CD1-CD2 3.99Å; F358-L379 HydrophobicContact CD2-CD2 4.01Å; F358-L379 HydrophobicContact CE1-CD2 4.18Å; F358-L379 HydrophobicContact CE2-CD2 4.21Å; F358-L379 HydrophobicContact CG-CD2 3.9Å; F358-L379 HydrophobicContact CZ-CD2 4.29Å; F358-W391 HydrophobicContact CB-CD2 4.28Å; F358-W391 HydrophobicContact CB-CZ2 4.13Å; F358-W391 HydrophobicContact CD1-CB 4.08Å; F358-W391 AromaticContact CD1-CD1 3.72Å; F358-W391 HydrophobicContact CD1-CD2 4.32Å; F358-W391 AromaticContact CD1-CG 3.81Å; F358-W391 HydrophobicContact CD1-CG 3.81Å; F358-W391 HydrophobicContact CE1-CB 4.37Å; F358-L393 HydrophobicContact CE1-CD2 3.62Å; F358-L393 HydrophobicContact CZ-CD2 3.59Å; F358-P398 HydrophobicContact CE1-CB 4.32Å; F358-P398 HydrophobicContact CE2-CB 4.01Å; F358-P398 HydrophobicContact CZ-CB 3.84Å; F358-P398 HydrophobicContact CZ-CG 4.44Å; F358-A401 HydrophobicContact CD1-CB 3.83Å; F358-A401 HydrophobicContact CE1-CB 3.43Å; F358-A401 VanDerWaalsContact CE1-CB 3.43Å
359	D	94.8	Very high	96.1	Very high	108 Å²	108	46.9 Å²	46.9	58%	0.578	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84	142.7	-173.3	-54.8	-37.7	0	0	0	112.2	A329 R357	A329-D359 WeakPolarHBondContact CB-OD1 3.18Å; R357-D359 WeakPolarHBondContact CB-OD1 3.42Å
360	Y	95.8	Very high	96.1	Very high	21 Å²	21	44.6 Å²	44.6	8%	0.082	23%	0.233	C	C	.	.			trans	-141.8	-160.9	177.1	45.1	-92.9	0	0	0	110.2	K324 N328 A329 I330 F358 C363 L381 W391	K324-Y360 VanDerWaalsContact CE-OH 3.31Å; K324-Y360 WeakPolarHBondContact CE-OH 3.28Å; N328-Y360 VanDerWaalsContact C-CZ 3.45Å; N328-Y360 VanDerWaalsContact CA-CE2 3.46Å; N328-Y360 HydrophobicContact CB-CD2 4.31Å; N328-Y360 HydrophobicContact CB-CE2 4.34Å; N328-Y360 WeakPolarHBondContact O-CD2 3.37Å; N328-Y360 PolarHBondContact O-N 2.84Å; A329-Y360 VanDerWaalsContact C-CE1 3.44Å; A329-Y360 VanDerWaalsContact C-OH 3.22Å; A329-Y360 VanDerWaalsContact CA-CE1 3.49Å; A329-Y360 PolarHBondContact N-OH 3.47Å; A329-Y360 PolarHBondContact O-OH 2.9Å; I330-Y360 HydrophobicContact CB-CE1 4.39Å; I330-Y360 HydrophobicContact CD1-CE1 4.06Å; I330-Y360 HydrophobicContact CG1-CE1 3.84Å; I330-Y360 VanDerWaalsContact N-CE1 3.34Å; F358-Y360 VanDerWaalsContact O-CD1 3.26Å; F358-Y360 WeakPolarHBondContact O-CD1 3.42Å; F358-Y360 WeakPolarHBondContact O-CE1 3.45Å; Y360-C363 HydrophobicContact CD2-CB 3.78Å; Y360-C363 HydrophobicContact CE2-CB 3.67Å; Y360-L381 HydrophobicContact CD1-CD2 3.82Å; Y360-L381 HydrophobicContact CD2-CD2 4.01Å; Y360-L381 HydrophobicContact CE1-CD2 3.36Å; Y360-L381 HydrophobicContact CE2-CD2 3.59Å; Y360-L381 HydrophobicContact CG-CD2 4.12Å; Y360-W391 AromaticContact CD1-CH2 3.6Å; Y360-W391 HydrophobicContact CD1-CH2 3.6Å; Y360-W391 AromaticContact CD1-CZ2 3.85Å; Y360-W391 HydrophobicContact CD1-CZ2 3.85Å; Y360-W391 HydrophobicContact CE1-CH2 4.41Å; Y360-W391 HydrophobicContact CG-CH2 4.26Å
361	S	97.3	Very high	96.3	Very high	52 Å²	52	40.6 Å²	40.6	36%	0.364	21%	0.205	S	C	.	.	S	Bend	trans	-155.5	152	178.5	52.9	0	0	0	0	113.2	N328 N383 Y389	N328-S361 VanDerWaalsContact OD1-C 3.22Å; N328-S361 VanDerWaalsContact OD1-CA 3.28Å; N328-S361 WeakPolarHBondContact OD1-CA 3.29Å; S361-N383 PolarHBondContact O-ND2 3.48Å; S361-Y389 PolarHBondContact O-OH 2.88Å; S361-Y389 PolarHBondContact OG-OH 2.85Å
362	Q	97.5	Very high	96.3	Very high	81 Å²	81	37.9 Å²	37.9	38%	0.379	19%	0.191	S	C	.	.	S	Bend	trans	58	46.2	-179.8	-47.6	174.3	-93.1	0	0	112	N328 N383 Q384 V385	N328-Q362 PolarHBondContact OD1-N 3.04Å; Q362-N383 VanDerWaalsContact O-CB 3.26Å; Q362-N383 WeakPolarHBondContact O-CB 3.39Å; Q362-N383 PolarHBondContact O-ND2 2.95Å; Q362-Q384 VanDerWaalsContact C-CD 3.46Å; Q362-Q384 HydrophobicContact CB-CG 4.49Å; Q362-Q384 WeakPolarHBondContact O-CG 3.37Å; Q362-Q384 PolarHBondContact O-N 2.93Å; Q362-Q384 PolarHBondContact O-OE1 3.25Å; Q362-Q384 VanDerWaalsContact O-OE1 3.11Å; Q362-V385 HydrophobicContact CB-CG2 4Å
363	C	97.1	Very high	96.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.18	C	C	.	.			trans	-139.8	63.8	170.8	-166.1	0	0	0	0	108.7	N328 Y360 M368 G382 N383	N328-C363 PolarHBondContact OD1-N 2.86Å; Y360-C363 HydrophobicContact CD2-CB 3.78Å; Y360-C363 HydrophobicContact CE2-CB 3.67Å; C363-M368 VanDerWaalsContact SG-CB 3.59Å; C363-G382 PolarHBondContact SG-O 2.97Å; C363-N383 HydrophobicContact CB-CB 3.88Å
364	D	95.7	Very high	96.3	Very high	70 Å²	70	38.3 Å²	38.3	37%	0.374	19%	0.187	S	C	.	.			trans	-114.5	-4.1	-178	31.4	56.4	0	0	0	113.3	Y310 C326 N328 Q384	Y310-D364 PolarHBondContact OH-O 2.81Å; Y310-D364 VanDerWaalsContact OH-O 3.08Å; C326-D364 HydrophobicContact CB-CB 4.37Å; C326-D364 WeakPolarHBondContact CB-O 3.39Å; N328-D364 PolarHBondContact ND2-OD2 2.94Å; D364-Q384 PolarHBondContact OD1-NE2 3.24Å; D364-Q384 PolarHBondContact OD1-OE1 2.82Å
365	I	96.4	Very high	96.3	Very high	60 Å²	60	41.8 Å²	41.8	31%	0.308	20%	0.195	S	C	.	.	S	Bend	trans	-73.3	156.7	167.2	66.2	174.4	0	0	0	112.2	Y310 M368 Q384 A414	Y310-I365 PolarHBondContact OH-O 3.25Å; Y310-I365 VanDerWaalsContact OH-O 3.06Å; I365-M368 HydrophobicContact CD1-CG 4.23Å; I365-M368 HydrophobicContact CD1-SD 3.93Å; I365-M368 HydrophobicContact CG1-CG 3.66Å; I365-M368 HydrophobicContact CG1-SD 4.04Å; I365-Q384 HydrophobicContact CD1-CB 3.63Å; I365-Q384 HydrophobicContact CG1-CB 4.01Å; I365-A414 HydrophobicContact CD1-CB 4.11Å
366	W	88	Confident	96.4	Very high	88 Å²	88	42.3 Å²	42.3	33%	0.333	20%	0.196	S	C	.	.	S	Bend	trans	-70.3	156.1	176.4	177.3	63.4	0	0	0	112.2	L242 M258 Y310 R416	L242-W366 HydrophobicContact CD2-CZ2 3.57Å; M258-W366 HydrophobicContact CE-CD2 4.09Å; M258-W366 HydrophobicContact CE-CG 4.36Å; M258-W366 HydrophobicContact CE-CZ2 3.83Å; Y310-W366 AromaticContact CD2-CD1 3.8Å; Y310-W366 HydrophobicContact CE1-CB 4.39Å; Y310-W366 HydrophobicContact CE2-CB 4.38Å; Y310-W366 AromaticContact CE2-CD1 3.85Å; Y310-W366 WeakPolarHBondContact OH-CA 3.16Å; Y310-W366 PolarHBondContact OH-N 3.17Å; W366-R416 PolarHBondContact O-NH1 3.49Å
367	Y	93.8	Very high	96.5	Very high	9 Å²	9	45.9 Å²	45.9	4%	0.035	21%	0.212	C	C	.	.			trans	58.8	60.9	175.8	-152.1	-104.5	0	0	0	114	F99 Y150 N196 D312 R369 R416	F99-Y367 HydrophobicContact CB-CE1 4.25Å; F99-Y367 HydrophobicContact CD1-CD1 4.02Å; F99-Y367 HydrophobicContact CD1-CE1 4.1Å; Y150-Y367 WeakPolarHBondContact CB-OH 3.48Å; Y150-Y367 PolarHBondContact O-OH 2.83Å; Y150-Y367 VanDerWaalsContact O-OH 3.11Å; N196-Y367 HydrophobicContact CB-CE2 4.48Å; N196-Y367 PolarHBondContact O-OH 2.96Å; D312-Y367 PolarHBondContact OD2-N 2.93Å; Y367-R369 PolarHBondContact OH-NH1 2.84Å; Y367-R369 PolarHBondContact OH-NH2 3.11Å; Y367-R416 VanDerWaalsContact O-CD 3.26Å; Y367-R416 WeakPolarHBondContact O-CD 3.46Å; Y367-R416 PolarHBondContact O-NH1 2.93Å
368	M	98.4	Very high	96.6	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.197	C	C	.	.			trans	-126.8	103.8	177.3	-65.6	-68.5	-74.3	0	0	109.6	D312 K324 C363 I365 N383 A414 I415	D312-M368 PolarHBondContact OD2-N 2.74Å; K324-M368 WeakPolarHBondContact CD-O 3.4Å; K324-M368 WeakPolarHBondContact CE-O 3.37Å; K324-M368 PolarHBondContact NZ-O 2.81Å; C363-M368 VanDerWaalsContact SG-CB 3.59Å; I365-M368 HydrophobicContact CD1-CG 4.23Å; I365-M368 HydrophobicContact CD1-SD 3.93Å; I365-M368 HydrophobicContact CG1-CG 3.66Å; I365-M368 HydrophobicContact CG1-SD 4.04Å; M368-N383 VanDerWaalsContact CE-C 3.41Å; M368-A414 HydrophobicContact CE-CB 4.39Å; M368-A414 HydrophobicContact SD-CB 4.43Å; M368-I415 WeakPolarHBondContact CE-O 3.14Å
369	R	98.8	Very high	96.7	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	20%	0.196	C	C	.	.			trans	-96.8	131.6	-167.9	-68.9	179.2	-69.7	-158.6	-14.9	112.8	F99 Y150 E197 C313 Y367 R416 Q417	F99-R369 PolarHBondContact O-NH2 3.47Å; Y150-R369 PolarHBondContact O-NH1 2.71Å; Y150-R369 PolarHBondContact O-NH2 2.97Å; E197-R369 IonicContact OE1-CZ 2.96Å; E197-R369 IonicContact OE1-NH1 3.26Å; E197-R369 PolarHBondContact OE1-NH1 3.43Å; C313-R369 HydrophobicContact CB-CG 4.49Å; Y367-R369 PolarHBondContact OH-NH1 2.84Å; Y367-R369 PolarHBondContact OH-NH2 3.11Å; R369-R416 PolarHBondContact N-O 3.48Å; R369-Q417 HydrophobicContact CB-CB 4.42Å; R369-Q417 HydrophobicContact CB-CG 4.33Å
370	F	98.8	Very high	96.9	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	157.8	167.1	69.1	-95.4	0	0	0	111.4	C313 R315 L322 K324 I330 L379 A380 L381	C313-F370 HydrophobicContact CB-CD1 3.76Å; C313-F370 HydrophobicContact CB-CE1 3.74Å; C313-F370 VanDerWaalsContact SG-CD1 3.52Å; R315-F370 HydrophobicContact CB-CE2 3.76Å; R315-F370 HydrophobicContact CB-CZ 4.11Å; R315-F370 HydrophobicContact CG-CD2 4.14Å; R315-F370 HydrophobicContact CG-CE2 3.39Å; R315-F370 HydrophobicContact CG-CZ 3.89Å; L322-F370 HydrophobicContact CB-CE2 3.88Å; L322-F370 HydrophobicContact CB-CZ 3.71Å; L322-F370 HydrophobicContact CD1-CE2 4.29Å; K324-F370 HydrophobicContact CD-CD1 3.99Å; K324-F370 HydrophobicContact CG-CD1 3.91Å; K324-F370 HydrophobicContact CG-CE1 4.07Å; I330-F370 HydrophobicContact CD1-CB 3.87Å; I330-F370 HydrophobicContact CD1-CD1 3.85Å; I330-F370 HydrophobicContact CD1-CD2 4.44Å; I330-F370 HydrophobicContact CD1-CE1 4.49Å; I330-F370 HydrophobicContact CD1-CG 3.83Å; I330-F370 HydrophobicContact CG1-CD1 3.92Å; I330-F370 HydrophobicContact CG1-CE1 4.22Å; I330-F370 HydrophobicContact CG1-CG 4.4Å; I330-F370 HydrophobicContact CG2-CE1 4.48Å; F370-L379 HydrophobicContact CB-CD1 4.25Å; F370-L379 HydrophobicContact CD2-CD1 3.42Å; F370-L379 VanDerWaalsContact CD2-CD1 3.42Å; F370-L379 HydrophobicContact CE2-CD1 4.04Å; F370-L379 HydrophobicContact CG-CD1 4.13Å; F370-A380 CarbonylContact C-O 3.59Å; F370-A380 VanDerWaalsContact CA-O 3.24Å; F370-A380 WeakPolarHBondContact CA-O 3.24Å; F370-A380 WeakPolarHBondContact CB-O 3.33Å; F370-L381 HydrophobicContact CB-CB 4Å; F370-L381 HydrophobicContact CB-CD1 4.02Å; F370-L381 HydrophobicContact CB-CG 4.46Å
371	S	98.8	Very high	97	Very high	12 Å²	12	35.6 Å²	35.6	8%	0.084	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	159.5	177.2	72	0	0	0	0	111.2	A380 T418	S371-A380 PolarHBondContact N-O 2.65Å; S371-A380 PolarHBondContact O-N 2.99Å; S371-T418 WeakPolarHBondContact CB-O 3.35Å; S371-T418 PolarHBondContact OG-O 3.33Å; S371-T418 PolarHBondContact OG-OG1 3.02Å
372	M	98.6	Very high	97.1	Very high	17 Å²	17	33.1 Å²	33.1	8%	0.084	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	160.3	168.9	-69.1	-176.4	-67.9	0	0	109.8	R315 W316 L317 L322 Q376 M378 L379 L393	R315-M372 HydrophobicContact CB-CE 3.66Å; R315-M372 HydrophobicContact CG-CE 4.22Å; W316-M372 WeakPolarHBondContact O-CE 3.33Å; L317-M372 HydrophobicContact CD1-SD 4.28Å; L322-M372 HydrophobicContact CD1-CE 4.3Å; L322-M372 HydrophobicContact CD1-SD 3.72Å; M372-Q376 HydrophobicContact CE-CG 4.4Å; M372-Q376 HydrophobicContact SD-CB 4.49Å; M372-M378 WeakPolarHBondContact CA-O 3.36Å; M372-M378 WeakPolarHBondContact CB-O 3.27Å; M372-L379 HydrophobicContact CG-CB 4.42Å; M372-L379 HydrophobicContact CG-CD1 3.88Å; M372-L393 HydrophobicContact CG-CD1 4.27Å; M372-L393 HydrophobicContact SD-CD1 3.65Å
373	D	98.4	Very high	97.1	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	13%	0.13	C	C	.	.			trans	-76	164.5	169.8	78.9	-46	0	0	0	111.8	W375 Q376 K377 M378 F420 S424	D373-W375 PolarHBondContact O-N 2.85Å; D373-Q376 PolarHBondContact O-N 2.94Å; D373-Q376 PolarHBondContact OD1-N 2.62Å; D373-K377 PolarHBondContact OD1-N 2.6Å; D373-M378 HydrophobicContact CB-CE 4.17Å; D373-M378 PolarHBondContact N-O 2.77Å; D373-M378 PolarHBondContact OD1-N 3.24Å; D373-F420 HydrophobicContact CB-CB 3.9Å; D373-F420 HydrophobicContact CB-CD1 4.28Å; D373-F420 HydrophobicContact CB-CD2 3.87Å; D373-F420 HydrophobicContact CB-CE2 4.41Å; D373-F420 HydrophobicContact CB-CG 3.77Å; D373-S424 VanDerWaalsContact OD2-CB 3.32Å; D373-S424 WeakPolarHBondContact OD2-CB 3.29Å; D373-S424 PolarHBondContact OD2-OG 3.5Å
374	F	97.4	Very high	97.2	Very high	76 Å²	76	31.6 Å²	31.6	33%	0.333	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-27	-176.1	178.2	-96	0	0	0	113.7	W105 R422	W105-F374 HydrophobicContact CD2-CB 4.4Å; W105-F374 HydrophobicContact CD2-CD2 4.24Å; W105-F374 HydrophobicContact CE3-CB 4.31Å; W105-F374 AromaticContact CE3-CD2 3.74Å; W105-F374 HydrophobicContact CE3-CD2 3.74Å; W105-F374 HydrophobicContact CH2-CB 4.3Å; W105-F374 HydrophobicContact CZ2-CB 4.4Å; W105-F374 HydrophobicContact CZ3-CB 4.25Å; W105-F374 HydrophobicContact CZ3-CD2 4.16Å; F374-R422 HydrophobicContact CB-CG 4.4Å; F374-R422 HydrophobicContact CD2-CG 4.36Å; F374-R422 HydrophobicContact CG-CG 4.2Å
375	W	97.1	Very high	97.3	Very high	153 Å²	153	30.7 Å²	30.7	58%	0.58	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	0.4	-178.8	-52	99.5	0	0	0	114.5	D373 K377 R422	D373-W375 PolarHBondContact O-N 2.85Å; W375-K377 HydrophobicContact CB-CD 3.74Å; W375-K377 HydrophobicContact CB-CG 3.93Å; W375-K377 PolarHBondContact O-N 2.95Å; W375-R422 PolarHBondContact NE1-O 3.02Å
376	Q	96.8	Very high	97.3	Very high	48 Å²	48	27.9 Å²	27.9	22%	0.224	12%	0.123	C	C	.	.	S	Bend	trans	52.8	37.3	-173.6	-54	-164.7	-29.8	0	0	113.9	W316 L317 M372 D373 L393	W316-Q376 PolarHBondContact O-NE2 2.91Å; L317-Q376 HydrophobicContact CD1-CB 3.92Å; M372-Q376 HydrophobicContact CE-CG 4.4Å; M372-Q376 HydrophobicContact SD-CB 4.49Å; D373-Q376 PolarHBondContact O-N 2.94Å; D373-Q376 PolarHBondContact OD1-N 2.62Å; Q376-L393 WeakPolarHBondContact O-CD1 3.42Å
377	K	95.4	Very high	97.8	Very high	77 Å²	77	26.6 Å²	26.6	34%	0.335	12%	0.12	S	C	.	.			trans	-100.4	-23.7	179.6	-68.2	171.6	-173.7	-93	0	112.7	D373 W375 L393 E394	D373-K377 PolarHBondContact OD1-N 2.6Å; W375-K377 HydrophobicContact CB-CD 3.74Å; W375-K377 HydrophobicContact CB-CG 3.93Å; W375-K377 PolarHBondContact O-N 2.95Å; K377-L393 WeakPolarHBondContact O-CB 3.37Å; K377-L393 PolarHBondContact O-N 2.89Å; K377-E394 HydrophobicContact CB-CG 4.14Å; K377-E394 HydrophobicContact CG-CG 3.96Å; K377-E394 IonicContact NZ-OE1 3.96Å; K377-E394 PolarHBondContact NZ-OE1 3.31Å
378	M	97	Very high	98	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134	178	-64.3	-176.1	-60.8	0	0	110.6	Y82 F84 M372 D373 W391 F420	Y82-M378 HydrophobicContact CD1-CG 4.35Å; Y82-M378 HydrophobicContact CD1-SD 3.65Å; Y82-M378 HydrophobicContact CD2-CG 3.61Å; Y82-M378 HydrophobicContact CD2-SD 3.79Å; Y82-M378 HydrophobicContact CE1-CG 4.26Å; Y82-M378 HydrophobicContact CE1-SD 3.96Å; Y82-M378 HydrophobicContact CE2-CG 3.5Å; Y82-M378 VanDerWaalsContact CE2-CG 3.5Å; Y82-M378 HydrophobicContact CE2-SD 4.09Å; Y82-M378 HydrophobicContact CG-CG 4.05Å; Y82-M378 HydrophobicContact CG-SD 3.56Å; Y82-M378 VanDerWaalsContact CG-SD 3.56Å; F84-M378 HydrophobicContact CE2-SD 4.12Å; F84-M378 HydrophobicContact CZ-CE 4.12Å; F84-M378 HydrophobicContact CZ-SD 3.83Å; M372-M378 WeakPolarHBondContact CA-O 3.36Å; M372-M378 WeakPolarHBondContact CB-O 3.27Å; D373-M378 HydrophobicContact CB-CE 4.17Å; D373-M378 PolarHBondContact N-O 2.77Å; D373-M378 PolarHBondContact OD1-N 3.24Å; M378-W391 WeakPolarHBondContact CA-O 3.45Å; M378-F420 HydrophobicContact CB-CE1 4.25Å; M378-F420 HydrophobicContact CB-CE2 4.31Å; M378-F420 HydrophobicContact CB-CZ 3.76Å; M378-F420 HydrophobicContact CE-CD1 3.87Å; M378-F420 HydrophobicContact CE-CE1 3.55Å; M378-F420 HydrophobicContact CE-CZ 4.2Å; M378-F420 HydrophobicContact SD-CE1 4.29Å
379	L	98.2	Very high	98	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	132.7	171.3	173.6	64.8	0	0	0	108.6	L322 I330 F358 F370 M372 V390 W391 L393	L322-L379 HydrophobicContact CD1-CD1 4.12Å; L322-L379 HydrophobicContact CD1-CD2 4.3Å; I330-L379 HydrophobicContact CD1-CD1 4.3Å; I330-L379 HydrophobicContact CD1-CD2 4.05Å; I330-L379 HydrophobicContact CD1-CG 4.42Å; F358-L379 HydrophobicContact CB-CD2 4.4Å; F358-L379 HydrophobicContact CD1-CD2 3.99Å; F358-L379 HydrophobicContact CD2-CD2 4.01Å; F358-L379 HydrophobicContact CE1-CD2 4.18Å; F358-L379 HydrophobicContact CE2-CD2 4.21Å; F358-L379 HydrophobicContact CG-CD2 3.9Å; F358-L379 HydrophobicContact CZ-CD2 4.29Å; F370-L379 HydrophobicContact CB-CD1 4.25Å; F370-L379 HydrophobicContact CD2-CD1 3.42Å; F370-L379 VanDerWaalsContact CD2-CD1 3.42Å; F370-L379 HydrophobicContact CE2-CD1 4.04Å; F370-L379 HydrophobicContact CG-CD1 4.13Å; M372-L379 HydrophobicContact CG-CB 4.42Å; M372-L379 HydrophobicContact CG-CD1 3.88Å; L379-V390 CarbonylContact O-C 3.55Å; L379-V390 VanDerWaalsContact O-CA 3.24Å; L379-V390 WeakPolarHBondContact O-CA 3.4Å; L379-W391 HydrophobicContact CB-CB 4.35Å; L379-W391 HydrophobicContact CB-CE3 4.35Å; L379-W391 HydrophobicContact CD2-CD2 4.43Å; L379-W391 HydrophobicContact CD2-CE3 4Å; L379-W391 HydrophobicContact CG-CE3 3.92Å; L379-W391 HydrophobicContact CG-CZ3 4.41Å; L379-W391 PolarHBondContact N-O 3.12Å; L379-W391 PolarHBondContact O-N 2.65Å; L379-L393 HydrophobicContact CB-CD1 4.03Å; L379-L393 HydrophobicContact CB-CD2 3.98Å; L379-L393 HydrophobicContact CB-CG 4.04Å; L379-L393 HydrophobicContact CD2-CD2 4.4Å
380	A	98.6	Very high	97.9	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	136.9	177.1	0	0	0	0	0	112.2	F370 S371 L388 Y389 V390 F420 L427	F370-A380 CarbonylContact C-O 3.59Å; F370-A380 VanDerWaalsContact CA-O 3.24Å; F370-A380 WeakPolarHBondContact CA-O 3.24Å; F370-A380 WeakPolarHBondContact CB-O 3.33Å; S371-A380 PolarHBondContact N-O 2.65Å; S371-A380 PolarHBondContact O-N 2.99Å; A380-L388 HydrophobicContact CB-CD1 4.3Å; A380-Y389 CarbonylContact C-O 3.55Å; A380-Y389 VanDerWaalsContact CA-O 3.31Å; A380-Y389 WeakPolarHBondContact CA-O 3.42Å; A380-V390 HydrophobicContact CB-CG2 4.31Å; A380-F420 HydrophobicContact CB-CE2 3.61Å; A380-F420 HydrophobicContact CB-CZ 3.69Å; A380-L427 HydrophobicContact CB-CD1 4.24Å; A380-L427 HydrophobicContact CB-CD2 4.25Å
381	L	98.8	Very high	97.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	129.8	172.6	175.7	61.4	0	0	0	111.2	K324 I330 Y360 F370 L388 Y389 W391	K324-L381 HydrophobicContact CD-CD1 4.32Å; K324-L381 HydrophobicContact CD-CD2 4.13Å; I330-L381 HydrophobicContact CD1-CB 4.38Å; I330-L381 HydrophobicContact CD1-CD2 4.01Å; Y360-L381 HydrophobicContact CD1-CD2 3.82Å; Y360-L381 HydrophobicContact CD2-CD2 4.01Å; Y360-L381 HydrophobicContact CE1-CD2 3.36Å; Y360-L381 HydrophobicContact CE2-CD2 3.59Å; Y360-L381 HydrophobicContact CG-CD2 4.12Å; F370-L381 HydrophobicContact CB-CB 4Å; F370-L381 HydrophobicContact CB-CD1 4.02Å; F370-L381 HydrophobicContact CB-CG 4.46Å; L381-L388 WeakPolarHBondContact O-CD1 3.43Å; L381-Y389 PolarHBondContact N-O 2.86Å; L381-Y389 PolarHBondContact O-N 3.37Å; L381-W391 HydrophobicContact CB-CH2 4.33Å; L381-W391 HydrophobicContact CB-CZ3 3.99Å
382	G	98.6	Very high	97.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	155.3	167.7	0	0	0	0	0	112.9	C363	C363-G382 PolarHBondContact SG-O 2.97Å
383	N	98.6	Very high	97.4	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	12%	0.122	C	C	.	.			trans	-119.9	173.2	176.3	95.7	-19.1	0	0	0	112.1	S361 Q362 C363 M368 V385 G386 K387 Y389 A414 I415	S361-N383 PolarHBondContact O-ND2 3.48Å; Q362-N383 VanDerWaalsContact O-CB 3.26Å; Q362-N383 WeakPolarHBondContact O-CB 3.39Å; Q362-N383 PolarHBondContact O-ND2 2.95Å; C363-N383 HydrophobicContact CB-CB 3.88Å; M368-N383 VanDerWaalsContact CE-C 3.41Å; N383-V385 WeakPolarHBondContact ND2-CG2 3.38Å; N383-V385 PolarHBondContact O-N 3.01Å; N383-V385 VanDerWaalsContact O-N 3.13Å; N383-V385 WeakPolarHBondContact OD1-CG2 3.5Å; N383-V385 PolarHBondContact OD1-N 3.14Å; N383-G386 PolarHBondContact OD1-N 2.9Å; N383-K387 PolarHBondContact N-O 3.4Å; N383-K387 WeakPolarHBondContact OD1-CB 3.47Å; N383-K387 PolarHBondContact OD1-N 3.26Å; N383-K387 PolarHBondContact OD1-O 3.16Å; N383-Y389 HydrophobicContact CB-CD2 4.5Å; N383-Y389 HydrophobicContact CB-CE2 3.93Å; N383-A414 WeakPolarHBondContact O-CA 3.5Å; N383-I415 PolarHBondContact O-N 3.43Å
384	Q	98.3	Very high	96.8	Very high	48 Å²	48	31 Å²	31	22%	0.224	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	6.7	-173.9	78.1	-137	29.3	0	0	115.1	Q362 D364 I365 A414	Q362-Q384 VanDerWaalsContact C-CD 3.46Å; Q362-Q384 HydrophobicContact CB-CG 4.49Å; Q362-Q384 WeakPolarHBondContact O-CG 3.37Å; Q362-Q384 PolarHBondContact O-N 2.93Å; Q362-Q384 PolarHBondContact O-OE1 3.25Å; Q362-Q384 VanDerWaalsContact O-OE1 3.11Å; D364-Q384 PolarHBondContact OD1-NE2 3.24Å; D364-Q384 PolarHBondContact OD1-OE1 2.82Å; I365-Q384 HydrophobicContact CD1-CB 3.63Å; I365-Q384 HydrophobicContact CG1-CB 4.01Å; Q384-A414 HydrophobicContact CB-CB 4.06Å
385	V	97.9	Very high	96.1	Very high	50 Å²	50	29.8 Å²	29.8	30%	0.303	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.8	33.7	-178.9	-63.6	0	0	0	0	112.3	Q362 N383 K387	Q362-V385 HydrophobicContact CB-CG2 4Å; N383-V385 WeakPolarHBondContact ND2-CG2 3.38Å; N383-V385 PolarHBondContact O-N 3.01Å; N383-V385 VanDerWaalsContact O-N 3.13Å; N383-V385 WeakPolarHBondContact OD1-CG2 3.5Å; N383-V385 PolarHBondContact OD1-N 3.14Å; V385-K387 VanDerWaalsContact C-N 3.32Å; V385-K387 HydrophobicContact CG2-CD 4.3Å; V385-K387 HydrophobicContact CG2-CG 4.3Å; V385-K387 PolarHBondContact O-N 2.99Å
386	G	97.6	Very high	95	Very high	2 Å²	2	31.6 Å²	31.6	2%	0.021	15%	0.153	C	C	.	.	S	Bend	trans	70.7	15.5	171.8	0	0	0	0	0	116.8	N383 C411 S413	N383-G386 PolarHBondContact OD1-N 2.9Å; G386-C411 WeakPolarHBondContact CA-O 3.46Å; G386-C411 PolarHBondContact O-SG 2.77Å; G386-S413 VanDerWaalsContact CA-O 3.26Å; G386-S413 WeakPolarHBondContact CA-O 3.45Å; G386-S413 PolarHBondContact N-O 3.04Å
387	K	98.1	Very high	94.1	Very high	61 Å²	61	31.1 Å²	31.1	27%	0.265	15%	0.152	S	C	.	.			trans	-93.1	137.4	172.2	-51.1	175.9	-172.8	164.8	0	109.8	N383 V385 Y389 T405 T407	N383-K387 PolarHBondContact N-O 3.4Å; N383-K387 WeakPolarHBondContact OD1-CB 3.47Å; N383-K387 PolarHBondContact OD1-N 3.26Å; N383-K387 PolarHBondContact OD1-O 3.16Å; V385-K387 VanDerWaalsContact C-N 3.32Å; V385-K387 HydrophobicContact CG2-CD 4.3Å; V385-K387 HydrophobicContact CG2-CG 4.3Å; V385-K387 PolarHBondContact O-N 2.99Å; K387-Y389 HydrophobicContact CB-CD2 4.43Å; K387-Y389 HydrophobicContact CB-CE2 3.74Å; K387-T405 HydrophobicContact CB-CG2 4.21Å; K387-T407 HydrophobicContact CB-CG2 4.18Å; K387-T407 HydrophobicContact CG-CG2 3.93Å
388	L	98.3	Very high	93.1	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	114.7	178.9	172.6	53.6	0	0	0	109.7	A380 L381 V390 L406 I415 T418 L427 A429	A380-L388 HydrophobicContact CB-CD1 4.3Å; L381-L388 WeakPolarHBondContact O-CD1 3.43Å; L388-V390 HydrophobicContact CG-CG2 4.37Å; L388-L406 HydrophobicContact CB-CB 4.16Å; L388-L406 HydrophobicContact CD2-CD1 4.17Å; L388-L406 HydrophobicContact CG-CB 4.48Å; L388-L406 HydrophobicContact CG-CD1 4.24Å; L388-L406 PolarHBondContact N-O 2.87Å; L388-L406 WeakPolarHBondContact O-CB 3.38Å; L388-L406 PolarHBondContact O-N 2.92Å; L388-I415 HydrophobicContact CB-CD1 4.22Å; L388-T418 HydrophobicContact CD1-CG2 3.65Å; L388-T418 HydrophobicContact CD2-CG2 4.33Å; L388-L427 HydrophobicContact CD2-CD2 3.81Å; L388-L427 HydrophobicContact CD2-CG 4.17Å; L388-L427 HydrophobicContact CG-CD2 4.39Å; L388-A429 HydrophobicContact CD2-CB 4.16Å
389	Y	98.1	Very high	92.1	Very high	16 Å²	16	34.5 Å²	34.5	6%	0.063	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	131.6	-178	-62.8	-110.9	0	0	0	108.7	S361 A380 L381 N383 K387 W391 T405	S361-Y389 PolarHBondContact O-OH 2.88Å; S361-Y389 PolarHBondContact OG-OH 2.85Å; A380-Y389 CarbonylContact C-O 3.55Å; A380-Y389 VanDerWaalsContact CA-O 3.31Å; A380-Y389 WeakPolarHBondContact CA-O 3.42Å; L381-Y389 PolarHBondContact N-O 2.86Å; L381-Y389 PolarHBondContact O-N 3.37Å; N383-Y389 HydrophobicContact CB-CD2 4.5Å; N383-Y389 HydrophobicContact CB-CE2 3.93Å; K387-Y389 HydrophobicContact CB-CD2 4.43Å; K387-Y389 HydrophobicContact CB-CE2 3.74Å; Y389-W391 HydrophobicContact CD1-CH2 4.42Å; Y389-W391 HydrophobicContact CD1-CZ2 4.36Å; Y389-W391 HydrophobicContact CG-CH2 4.1Å; Y389-W391 HydrophobicContact CG-CZ2 4.48Å; Y389-T405 HydrophobicContact CD1-CG2 4.25Å; Y389-T405 HydrophobicContact CD2-CG2 4.45Å; Y389-T405 HydrophobicContact CE1-CG2 4.17Å; Y389-T405 HydrophobicContact CE2-CG2 4.35Å; Y389-T405 HydrophobicContact CG-CG2 4.38Å
390	V	97.7	Very high	91.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	119.6	179.2	-175.5	0	0	0	0	110.4	F84 L379 A380 L388 C403 T404 L406 L427	F84-V390 HydrophobicContact CE2-CG1 4.17Å; L379-V390 CarbonylContact O-C 3.55Å; L379-V390 VanDerWaalsContact O-CA 3.24Å; L379-V390 WeakPolarHBondContact O-CA 3.4Å; A380-V390 HydrophobicContact CB-CG2 4.31Å; L388-V390 HydrophobicContact CG-CG2 4.37Å; V390-C403 CarbonylContact O-C 3.51Å; V390-C403 WeakPolarHBondContact O-CA 3.5Å; V390-T404 PolarHBondContact N-O 3.4Å; V390-T404 PolarHBondContact O-N 3.1Å; V390-L406 HydrophobicContact CG2-CD1 3.84Å; V390-L406 HydrophobicContact CG2-CG 4.39Å; V390-L427 HydrophobicContact CG2-CD2 3.86Å
391	W	96.6	Very high	90.6	Very high	6 Å²	6	40.6 Å²	40.6	2%	0.023	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	143	178.8	-60.1	-104.4	0	0	0	112.4	F358 Y360 M378 L379 L381 Y389 A401 K402 C403	F358-W391 HydrophobicContact CB-CD2 4.28Å; F358-W391 HydrophobicContact CB-CZ2 4.13Å; F358-W391 HydrophobicContact CD1-CB 4.08Å; F358-W391 AromaticContact CD1-CD1 3.72Å; F358-W391 HydrophobicContact CD1-CD2 4.32Å; F358-W391 AromaticContact CD1-CG 3.81Å; F358-W391 HydrophobicContact CD1-CG 3.81Å; F358-W391 HydrophobicContact CE1-CB 4.37Å; Y360-W391 AromaticContact CD1-CH2 3.6Å; Y360-W391 HydrophobicContact CD1-CH2 3.6Å; Y360-W391 AromaticContact CD1-CZ2 3.85Å; Y360-W391 HydrophobicContact CD1-CZ2 3.85Å; Y360-W391 HydrophobicContact CE1-CH2 4.41Å; Y360-W391 HydrophobicContact CG-CH2 4.26Å; M378-W391 WeakPolarHBondContact CA-O 3.45Å; L379-W391 HydrophobicContact CB-CB 4.35Å; L379-W391 HydrophobicContact CB-CE3 4.35Å; L379-W391 HydrophobicContact CD2-CD2 4.43Å; L379-W391 HydrophobicContact CD2-CE3 4Å; L379-W391 HydrophobicContact CG-CE3 3.92Å; L379-W391 HydrophobicContact CG-CZ3 4.41Å; L379-W391 PolarHBondContact N-O 3.12Å; L379-W391 PolarHBondContact O-N 2.65Å; L381-W391 HydrophobicContact CB-CH2 4.33Å; L381-W391 HydrophobicContact CB-CZ3 3.99Å; Y389-W391 HydrophobicContact CD1-CH2 4.42Å; Y389-W391 HydrophobicContact CD1-CZ2 4.36Å; Y389-W391 HydrophobicContact CG-CH2 4.1Å; Y389-W391 HydrophobicContact CG-CZ2 4.48Å; W391-A401 HydrophobicContact CB-CB 4.46Å; W391-K402 WeakPolarHBondContact CA-O 3.44Å; W391-C403 HydrophobicContact CG-CB 4.37Å
392	D	94.4	Very high	89.9	Confident	11 Å²	11	43.9 Å²	43.9	6%	0.059	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	114.7	168.6	-173.8	-4.7	0	0	0	110	R81 Y82 E394 A401 K402	R81-D392 WeakPolarHBondContact CD-OD2 3.21Å; R81-D392 VanDerWaalsContact CG-OD2 3.28Å; R81-D392 WeakPolarHBondContact CG-OD2 3.43Å; Y82-D392 HydrophobicContact CD2-CB 4Å; Y82-D392 HydrophobicContact CE2-CB 3.91Å; Y82-D392 WeakPolarHBondContact CE2-OD1 3.43Å; D392-E394 PolarHBondContact OD1-N 2.88Å; D392-E394 VanDerWaalsContact OD1-N 3.11Å; D392-A401 WeakPolarHBondContact O-CB 3.45Å; D392-K402 PolarHBondContact N-O 2.76Å
393	L	92.8	Very high	89.5	Confident	22 Å²	22	46.2 Å²	46.2	12%	0.115	23%	0.23	C	C	.	.			trans	-90.9	-4.4	178.7	-61.3	179.9	0	0	0	113.1	L317 F358 M372 Q376 K377 L379 V395	L317-L393 HydrophobicContact CD1-CD1 4.11Å; F358-L393 HydrophobicContact CE1-CD2 3.62Å; F358-L393 HydrophobicContact CZ-CD2 3.59Å; M372-L393 HydrophobicContact CG-CD1 4.27Å; M372-L393 HydrophobicContact SD-CD1 3.65Å; Q376-L393 WeakPolarHBondContact O-CD1 3.42Å; K377-L393 WeakPolarHBondContact O-CB 3.37Å; K377-L393 PolarHBondContact O-N 2.89Å; L379-L393 HydrophobicContact CB-CD1 4.03Å; L379-L393 HydrophobicContact CB-CD2 3.98Å; L379-L393 HydrophobicContact CB-CG 4.04Å; L379-L393 HydrophobicContact CD2-CD2 4.4Å; L393-V395 PolarHBondContact O-N 2.87Å
394	E	87.4	Confident	89.2	Confident	80 Å²	80	47.7 Å²	47.7	37%	0.374	24%	0.239	S	C	.	.			trans	-77.6	53.1	174.6	-58.6	-161.9	118.7	0	0	111.3	R81 Y82 K377 D392	R81-E394 IonicContact CZ-OE2 3.61Å; R81-E394 IonicContact NH1-OE2 2.86Å; R81-E394 PolarHBondContact NH1-OE2 2.86Å; R81-E394 IonicContact NH2-OE2 2.6Å; Y82-E394 PolarHBondContact OH-OE2 3.42Å; K377-E394 HydrophobicContact CB-CG 4.14Å; K377-E394 HydrophobicContact CG-CG 3.96Å; K377-E394 IonicContact NZ-OE1 3.96Å; K377-E394 PolarHBondContact NZ-OE1 3.31Å; D392-E394 PolarHBondContact OD1-N 2.88Å; D392-E394 VanDerWaalsContact OD1-N 3.11Å
395	V	81.9	Confident	89.1	Confident	49 Å²	49	48.5 Å²	48.5	30%	0.297	25%	0.247	S	C	.	.	S	Bend	trans	-136.3	147.5	-177.1	-62.9	0	0	0	0	112.1	L393 D397 A401	L393-V395 PolarHBondContact O-N 2.87Å; V395-D397 WeakPolarHBondContact CG2-O 3.4Å; V395-D397 PolarHBondContact O-N 2.84Å; V395-A401 HydrophobicContact CG2-CB 3.8Å
396	E	75	Confident	88.9	Confident	192 Å²	192	46.6 Å²	46.6	90%	0.897	24%	0.235	S	C	*	.	S	Bend	trans	-70.9	-10.5	-178.8	-58.5	168.8	163.2	0	0	114.6
397	D	76.1	Confident	88.8	Confident	37 Å²	37	50.4 Å²	50.4	20%	0.198	26%	0.258	C	S	.	.	S	Bend	trans	-156.1	122.5	-167.6	172.2	-4.3	0	0	0	109.6	V395 H399 K400 A401	V395-D397 WeakPolarHBondContact CG2-O 3.4Å; V395-D397 PolarHBondContact O-N 2.84Å; D397-H399 PolarHBondContact O-N 3.17Å; D397-H399 WeakPolarHBondContact OD1-CB 3.17Å; D397-H399 IonicContact OD1-CG 3.17Å; D397-H399 PolarHBondContact OD1-N 3.25Å; D397-H399 IonicContact OD1-ND1 3.95Å; D397-H399 PolarHBondContact OD1-ND1 2.92Å; D397-K400 HydrophobicContact CB-CB 4.29Å; D397-K400 HydrophobicContact CB-CD 3.91Å; D397-K400 HydrophobicContact CB-CG 3.85Å; D397-K400 WeakPolarHBondContact O-CA 3.43Å; D397-K400 WeakPolarHBondContact O-CB 3.18Å; D397-K400 PolarHBondContact O-N 3.47Å; D397-K400 WeakPolarHBondContact OD2-CE 3.4Å; D397-K400 IonicContact OD2-NZ 2.62Å; D397-K400 PolarHBondContact OD2-NZ 2.78Å; D397-A401 PolarHBondContact O-N 2.81Å
398	P	75.9	Confident	88.5	Confident	24 Å²	24	49.7 Å²	49.7	16%	0.156	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-53.7	-34.1	179.3	-28.4	36	0	0	0	114.4	C332 F358 K400 A401	C332-P398 HydrophobicContact CB-CB 4.33Å; C332-P398 HydrophobicContact CB-CG 3.88Å; F358-P398 HydrophobicContact CE1-CB 4.32Å; F358-P398 HydrophobicContact CE2-CB 4.01Å; F358-P398 HydrophobicContact CZ-CB 3.84Å; F358-P398 HydrophobicContact CZ-CG 4.44Å; P398-K400 PolarHBondContact O-N 2.95Å; P398-A401 WeakPolarHBondContact O-CB 3.49Å; P398-A401 PolarHBondContact O-N 2.79Å
399	H	75.3	Confident	88	Confident	124 Å²	124	56.1 Å²	56.1	57%	0.574	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-70	-16.9	177.8	-50.8	95.9	0	0	0	113	L355 G356 D397	L355-H399 PolarHBondContact O-CE1 2.91Å; L355-H399 VanDerWaalsContact O-CE1 3.23Å; G356-H399 WeakPolarHBondContact CA-CE1 3.28Å; G356-H399 VanDerWaalsContact CA-NE2 3.32Å; G356-H399 WeakPolarHBondContact CA-NE2 3.15Å; D397-H399 PolarHBondContact O-N 3.17Å; D397-H399 WeakPolarHBondContact OD1-CB 3.17Å; D397-H399 IonicContact OD1-CG 3.17Å; D397-H399 PolarHBondContact OD1-N 3.25Å; D397-H399 IonicContact OD1-ND1 3.95Å; D397-H399 PolarHBondContact OD1-ND1 2.92Å
400	K	80.6	Confident	87.7	Confident	114 Å²	114	63.5 Å²	63.5	50%	0.496	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-93	-5	173.5	-54.6	-176	-169.8	93.6	0	112.1	D397 P398	D397-K400 HydrophobicContact CB-CB 4.29Å; D397-K400 HydrophobicContact CB-CD 3.91Å; D397-K400 HydrophobicContact CB-CG 3.85Å; D397-K400 WeakPolarHBondContact O-CA 3.43Å; D397-K400 WeakPolarHBondContact O-CB 3.18Å; D397-K400 PolarHBondContact O-N 3.47Å; D397-K400 WeakPolarHBondContact OD2-CE 3.4Å; D397-K400 IonicContact OD2-NZ 2.62Å; D397-K400 PolarHBondContact OD2-NZ 2.78Å; P398-K400 PolarHBondContact O-N 2.95Å
401	A	84.6	Confident	87.5	Confident	14 Å²	14	63.9 Å²	63.9	12%	0.116	33%	0.333	C	S	.	.			trans	-67.9	133.6	175.6	0	0	0	0	0	110.4	F358 W391 D392 V395 D397 P398	F358-A401 HydrophobicContact CD1-CB 3.83Å; F358-A401 HydrophobicContact CE1-CB 3.43Å; F358-A401 VanDerWaalsContact CE1-CB 3.43Å; W391-A401 HydrophobicContact CB-CB 4.46Å; D392-A401 WeakPolarHBondContact O-CB 3.45Å; V395-A401 HydrophobicContact CG2-CB 3.8Å; D397-A401 PolarHBondContact O-N 2.81Å; P398-A401 WeakPolarHBondContact O-CB 3.49Å; P398-A401 PolarHBondContact O-N 2.79Å
402	K	83.9	Confident	87.4	Confident	70 Å²	70	68.4 Å²	68.4	30%	0.304	36%	0.362	S	S	.	.			trans	-106.7	119.5	-167.5	-64.5	159.5	-170	176.3	0	110.3	K78 C80 W391 D392	K78-K402 VanDerWaalsContact O-CD 3.27Å; K78-K402 WeakPolarHBondContact O-CD 3.35Å; K78-K402 WeakPolarHBondContact O-CE 3.44Å; K78-K402 PolarHBondContact O-NZ 2.87Å; C80-K402 HydrophobicContact CB-CB 3.67Å; C80-K402 WeakPolarHBondContact CB-O 3.41Å; C80-K402 PolarHBondContact SG-O 3.35Å; C80-K402 VanDerWaalsContact SG-O 3.34Å; W391-K402 WeakPolarHBondContact CA-O 3.44Å; D392-K402 PolarHBondContact N-O 2.76Å
403	C	90.3	Very high	87.6	Confident	49 Å²	49	69 Å²	69	33%	0.331	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	130.5	171.6	-171	0	0	0	0	111.4	V390 W391	V390-C403 CarbonylContact O-C 3.51Å; V390-C403 WeakPolarHBondContact O-CA 3.5Å; W391-C403 HydrophobicContact CG-CB 4.37Å
404	T	92.6	Very high	87.9	Confident	31 Å²	31	68.2 Å²	68.2	19%	0.19	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	120.8	149.9	-69.5	0	0	0	0	106.9	C80 Y82 V390 L406	C80-T404 VanDerWaalsContact CB-OG1 3.28Å; C80-T404 WeakPolarHBondContact CB-OG1 3.21Å; Y82-T404 PolarHBondContact O-OG1 3.45Å; V390-T404 PolarHBondContact N-O 3.4Å; V390-T404 PolarHBondContact O-N 3.1Å; T404-L406 HydrophobicContact CG2-CD2 3.73Å; T404-L406 HydrophobicContact CG2-CG 4.36Å
405	T	95.5	Very high	88.4	Confident	66 Å²	66	64.5 Å²	64.5	41%	0.405	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	120	171.5	-46.5	0	0	0	0	109.4	K387 Y389 T407	K387-T405 HydrophobicContact CB-CG2 4.21Å; Y389-T405 HydrophobicContact CD1-CG2 4.25Å; Y389-T405 HydrophobicContact CD2-CG2 4.45Å; Y389-T405 HydrophobicContact CE1-CG2 4.17Å; Y389-T405 HydrophobicContact CE2-CG2 4.35Å; Y389-T405 HydrophobicContact CG-CG2 4.38Å; T405-T407 HydrophobicContact CG2-CG2 3.97Å
406	L	95.2	Very high	89.2	Confident	9 Å²	9	63.7 Å²	63.7	5%	0.047	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128	176.4	-56.3	177.3	0	0	0	108.6	F84 L388 V390 T404 L427 W439	F84-L406 HydrophobicContact CB-CD1 3.76Å; F84-L406 HydrophobicContact CB-CD2 3.9Å; F84-L406 HydrophobicContact CD2-CD1 4.14Å; F84-L406 HydrophobicContact CG-CD1 4.08Å; L388-L406 HydrophobicContact CB-CB 4.16Å; L388-L406 HydrophobicContact CD2-CD1 4.17Å; L388-L406 HydrophobicContact CG-CB 4.48Å; L388-L406 HydrophobicContact CG-CD1 4.24Å; L388-L406 PolarHBondContact N-O 2.87Å; L388-L406 WeakPolarHBondContact O-CB 3.38Å; L388-L406 PolarHBondContact O-N 2.92Å; V390-L406 HydrophobicContact CG2-CD1 3.84Å; V390-L406 HydrophobicContact CG2-CG 4.39Å; T404-L406 HydrophobicContact CG2-CD2 3.73Å; T404-L406 HydrophobicContact CG2-CG 4.36Å; L406-L427 HydrophobicContact CD1-CD2 4.37Å; L406-W439 HydrophobicContact CB-CD2 4.42Å; L406-W439 HydrophobicContact CB-CE3 4.07Å; L406-W439 HydrophobicContact CB-CH2 3.69Å; L406-W439 HydrophobicContact CB-CZ2 4.06Å; L406-W439 HydrophobicContact CB-CZ3 3.71Å; L406-W439 HydrophobicContact CD1-CD2 4.1Å; L406-W439 HydrophobicContact CD1-CE3 3.96Å; L406-W439 HydrophobicContact CD1-CG 4.43Å; L406-W439 HydrophobicContact CD1-CZ3 4.44Å; L406-W439 HydrophobicContact CD2-CE3 4.26Å; L406-W439 HydrophobicContact CD2-CZ3 4.15Å; L406-W439 HydrophobicContact CG-CE3 4.32Å; L406-W439 HydrophobicContact CG-CZ3 4.31Å
407	T	93.7	Very high	90.3	Very high	82 Å²	82	54.7 Å²	54.7	50%	0.503	30%	0.296	S	S	.	.			trans	-144.1	151.8	-176.8	63	0	0	0	0	111.7	K387 T405	K387-T407 HydrophobicContact CB-CG2 4.18Å; K387-T407 HydrophobicContact CG-CG2 3.93Å; T405-T407 HydrophobicContact CG2-CG2 3.97Å
408	L	91.9	Very high	91.4	Very high	47 Å²	47	52.9 Å²	52.9	25%	0.246	29%	0.287	C	S	.	.			trans	-141.8	136.8	174	-64.4	166.3	0	0	0	109.2	C86 K410 C411 W437 W439	C86-L408 HydrophobicContact CB-CD1 3.66Å; C86-L408 HydrophobicContact CB-CD2 3.89Å; C86-L408 HydrophobicContact CB-CG 4.27Å; C86-L408 WeakPolarHBondContact SG-CD1 3.22Å; L408-K410 PolarHBondContact O-N 3.07Å; L408-C411 HydrophobicContact CB-CB 4Å; L408-C411 HydrophobicContact CD1-CB 4.49Å; L408-C411 PolarHBondContact O-N 2.86Å; L408-W437 HydrophobicContact CD1-CD2 4.33Å; L408-W437 HydrophobicContact CD1-CE3 3.32Å; L408-W437 HydrophobicContact CD1-CZ3 3.49Å; L408-W437 VanDerWaalsContact CD1-CZ3 3.49Å; L408-W439 HydrophobicContact CD1-CH2 3.88Å; L408-W439 HydrophobicContact CD1-CZ2 3.64Å; L408-W439 HydrophobicContact CD2-CH2 4.1Å; L408-W439 HydrophobicContact CG-CH2 3.62Å; L408-W439 HydrophobicContact CG-CZ2 3.83Å
409	P	88.4	Confident	92.5	Very high	135 Å²	135	51.9 Å²	51.9	88%	0.877	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-13	177	-25.7	35.3	0	0	0	115.6
410	K	92.1	Very high	93.6	Very high	172 Å²	172	46 Å²	46	75%	0.748	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-14.1	176.1	-65.1	-173.4	176.9	-174.2	0	114	L408 W437	L408-K410 PolarHBondContact O-N 3.07Å; K410-W437 HydrophobicContact CB-CH2 3.73Å; K410-W437 HydrophobicContact CB-CZ3 4.43Å
411	C	93.5	Very high	94.5	Very high	7 Å²	7	40.5 Å²	40.5	5%	0.047	23%	0.229	C	C	.	.			trans	-95.9	101.2	176.3	-170	0	0	0	0	106.9	G386 L408 W437	G386-C411 WeakPolarHBondContact CA-O 3.46Å; G386-C411 PolarHBondContact O-SG 2.77Å; L408-C411 HydrophobicContact CB-CB 4Å; L408-C411 HydrophobicContact CD1-CB 4.49Å; L408-C411 PolarHBondContact O-N 2.86Å; C411-W437 HydrophobicContact CB-CD2 4.05Å; C411-W437 HydrophobicContact CB-CE3 4.3Å; C411-W437 HydrophobicContact CB-CH2 4Å; C411-W437 HydrophobicContact CB-CZ2 3.7Å; C411-W437 HydrophobicContact CB-CZ3 4.28Å
412	T	95.1	Very high	95.1	Very high	101 Å²	101	44.4 Å²	44.4	62%	0.62	24%	0.24	S	C	*	.			trans	-130	-6.4	-176.1	55.4	0	0	0	0	113.3
413	S	97.7	Very high	95.7	Very high	23 Å²	23	44.6 Å²	44.6	16%	0.161	25%	0.245	C	C	.	.	S	Bend	trans	-83.8	165	177.2	-165.8	0	0	0	0	111.7	G386 I415 D433	G386-S413 VanDerWaalsContact CA-O 3.26Å; G386-S413 WeakPolarHBondContact CA-O 3.45Å; G386-S413 PolarHBondContact N-O 3.04Å; S413-I415 PolarHBondContact O-N 3.38Å; S413-D433 VanDerWaalsContact CB-CG 3.46Å; S413-D433 WeakPolarHBondContact CB-OD1 3.34Å; S413-D433 PolarHBondContact OG-N 3.27Å; S413-D433 VanDerWaalsContact OG-N 3.16Å; S413-D433 PolarHBondContact OG-OD1 2.85Å
414	A	98.6	Very high	96	Very high	7 Å²	7	42.4 Å²	42.4	6%	0.058	23%	0.23	C	C	.	.			trans	-71.5	124.9	179.3	0	0	0	0	0	111.4	I365 M368 N383 Q384 R416 C431 D432	I365-A414 HydrophobicContact CD1-CB 4.11Å; M368-A414 HydrophobicContact CE-CB 4.39Å; M368-A414 HydrophobicContact SD-CB 4.43Å; N383-A414 WeakPolarHBondContact O-CA 3.5Å; Q384-A414 HydrophobicContact CB-CB 4.06Å; A414-R416 PolarHBondContact O-N 3.41Å; A414-C431 CarbonylContact O-C 3.59Å; A414-C431 WeakPolarHBondContact O-CA 3.38Å; A414-C431 WeakPolarHBondContact O-CB 3.26Å; A414-D432 HydrophobicContact CB-CB 4.44Å; A414-D432 PolarHBondContact O-N 3.23Å
415	I	98.8	Very high	96.2	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	102.8	178.6	-63.9	163.4	0	0	0	109.2	M368 N383 L388 S413 T418 A429 V430	M368-I415 WeakPolarHBondContact CE-O 3.14Å; N383-I415 PolarHBondContact O-N 3.43Å; L388-I415 HydrophobicContact CB-CD1 4.22Å; S413-I415 PolarHBondContact O-N 3.38Å; I415-T418 HydrophobicContact CG2-CG2 3.85Å; I415-A429 HydrophobicContact CG2-CB 3.77Å; I415-V430 CarbonylContact C-O 3.56Å; I415-V430 WeakPolarHBondContact CA-O 3.47Å
416	R	98.7	Very high	96.3	Very high	32 Å²	32	39.8 Å²	39.8	12%	0.121	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-40	-171.2	-71.4	-72.3	170.6	-171.1	-3	114.5	F99 W366 Y367 R369 A414 V430 D432	F99-R416 HydrophobicContact CD1-CG 4.45Å; F99-R416 WeakPolarHBondContact O-CB 3.47Å; W366-R416 PolarHBondContact O-NH1 3.49Å; Y367-R416 VanDerWaalsContact O-CD 3.26Å; Y367-R416 WeakPolarHBondContact O-CD 3.46Å; Y367-R416 PolarHBondContact O-NH1 2.93Å; R369-R416 PolarHBondContact N-O 3.48Å; A414-R416 PolarHBondContact O-N 3.41Å; R416-V430 PolarHBondContact N-O 2.9Å; R416-D432 WeakPolarHBondContact CD-OD1 3.47Å; R416-D432 WeakPolarHBondContact CG-OD1 3.27Å; R416-D432 IonicContact CZ-OD1 2.91Å; R416-D432 IonicContact CZ-OD2 2.64Å; R416-D432 IonicContact NE-OD1 3Å; R416-D432 PolarHBondContact NE-OD1 3.01Å; R416-D432 IonicContact NE-OD2 2.7Å; R416-D432 PolarHBondContact NE-OD2 2.81Å; R416-D432 IonicContact NH2-OD1 2.73Å; R416-D432 IonicContact NH2-OD2 2.75Å; R416-D432 PolarHBondContact NH2-OD2 2.68Å
417	Q	98.9	Very high	96.5	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.009	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	155	177.2	-174.4	164.4	62.1	0	0	110	G100 V101 R369 V430	G100-Q417 VanDerWaalsContact CA-OE1 3.28Å; V101-Q417 HydrophobicContact CG1-CB 4.16Å; V101-Q417 HydrophobicContact CG1-CG 4.09Å; V101-Q417 PolarHBondContact O-OE1 3.02Å; R369-Q417 HydrophobicContact CB-CB 4.42Å; R369-Q417 HydrophobicContact CB-CG 4.33Å; Q417-V430 PolarHBondContact O-N 3.27Å
418	T	98.9	Very high	96.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	158.5	168.8	57.3	0	0	0	0	110.6	S371 L388 I415 I428 A429	S371-T418 WeakPolarHBondContact CB-O 3.35Å; S371-T418 PolarHBondContact OG-O 3.33Å; S371-T418 PolarHBondContact OG-OG1 3.02Å; L388-T418 HydrophobicContact CD1-CG2 3.65Å; L388-T418 HydrophobicContact CD2-CG2 4.33Å; I415-T418 HydrophobicContact CG2-CG2 3.85Å; T418-I428 CarbonylContact C-O 3.56Å; T418-I428 WeakPolarHBondContact CA-O 3.44Å; T418-I428 WeakPolarHBondContact CB-O 3.44Å; T418-A429 HydrophobicContact CG2-CB 3.75Å
419	S	98.9	Very high	97.1	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.014	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	136	173.9	-167.3	0	0	0	0	110.5	V101 F103 I428	V101-S419 WeakPolarHBondContact O-CB 3.5Å; F103-S419 WeakPolarHBondContact CE2-O 3.2Å; F103-S419 PolarHBondContact N-OG 3.12Å; S419-I428 PolarHBondContact N-O 3.45Å; S419-I428 PolarHBondContact O-N 2.76Å
420	F	98.8	Very high	97.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	147.2	172.2	-70.9	-83.3	0	0	0	110.7	F84 F103 W105 D373 M378 A380 I426 L427	F84-F420 HydrophobicContact CE1-CE1 4.37Å; F84-F420 AromaticContact CZ-CE1 3.92Å; F84-F420 HydrophobicContact CZ-CE1 3.92Å; F103-F420 VanDerWaalsContact CD2-O 3.23Å; F103-F420 WeakPolarHBondContact CD2-O 3.35Å; W105-F420 PolarHBondContact NE1-O 3.05Å; D373-F420 HydrophobicContact CB-CB 3.9Å; D373-F420 HydrophobicContact CB-CD1 4.28Å; D373-F420 HydrophobicContact CB-CD2 3.87Å; D373-F420 HydrophobicContact CB-CE2 4.41Å; D373-F420 HydrophobicContact CB-CG 3.77Å; M378-F420 HydrophobicContact CB-CE1 4.25Å; M378-F420 HydrophobicContact CB-CE2 4.31Å; M378-F420 HydrophobicContact CB-CZ 3.76Å; M378-F420 HydrophobicContact CE-CD1 3.87Å; M378-F420 HydrophobicContact CE-CE1 3.55Å; M378-F420 HydrophobicContact CE-CZ 4.2Å; M378-F420 HydrophobicContact SD-CE1 4.29Å; A380-F420 HydrophobicContact CB-CE2 3.61Å; A380-F420 HydrophobicContact CB-CZ 3.69Å; F420-I426 CarbonylContact C-O 3.59Å; F420-I426 WeakPolarHBondContact CA-O 3.41Å; F420-L427 HydrophobicContact CD1-CB 4Å; F420-L427 HydrophobicContact CD1-CD1 3.87Å; F420-L427 HydrophobicContact CD1-CG 4.36Å; F420-L427 HydrophobicContact CD2-CD1 4.14Å; F420-L427 HydrophobicContact CE1-CB 4.02Å; F420-L427 HydrophobicContact CE1-CD1 3.82Å; F420-L427 HydrophobicContact CE1-CD2 3.84Å; F420-L427 HydrophobicContact CE1-CG 4.11Å; F420-L427 HydrophobicContact CE2-CD1 4.12Å; F420-L427 HydrophobicContact CG-CD1 4.04Å; F420-L427 HydrophobicContact CZ-CD1 3.97Å; F420-L427 HydrophobicContact CZ-CD2 4.06Å
421	S	98.4	Very high	97.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.1	C	C	.	.			trans	-64.3	159.7	162.7	62.1	0	0	0	0	110.7	D423 S424 S425 I426	S421-D423 VanDerWaalsContact C-N 3.26Å; S421-D423 VanDerWaalsContact CB-OD1 3.29Å; S421-D423 WeakPolarHBondContact CB-OD1 3.46Å; S421-D423 PolarHBondContact O-N 3.2Å; S421-D423 PolarHBondContact OG-OD1 3.44Å; S421-S424 VanDerWaalsContact O-CA 3.31Å; S421-S424 WeakPolarHBondContact O-CA 3.11Å; S421-S424 PolarHBondContact O-N 3.12Å; S421-S425 PolarHBondContact OG-N 3.33Å; S421-S425 VanDerWaalsContact OG-N 3.12Å; S421-I426 PolarHBondContact N-O 3.03Å; S421-I426 PolarHBondContact OG-N 2.74Å; S421-I426 PolarHBondContact OG-O 2.96Å
422	R	97.6	Very high	98.1	Very high	95 Å²	95	20.1 Å²	20.1	36%	0.358	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-30.2	-173.8	-165.5	-173.7	-174	171	6.9	113.8	W105 S107 F374 W375 S424	W105-R422 HydrophobicContact CB-CG 4.31Å; W105-R422 HydrophobicContact CG-CB 4.3Å; W105-R422 HydrophobicContact CG-CG 4.32Å; W105-R422 VanDerWaalsContact O-CD 3.28Å; W105-R422 WeakPolarHBondContact O-CD 3.47Å; W105-R422 PolarHBondContact O-NE 2.61Å; W105-R422 VanDerWaalsContact O-NE 3.16Å; W105-R422 PolarHBondContact O-NH1 3.1Å; S107-R422 PolarHBondContact O-NH1 2.94Å; F374-R422 HydrophobicContact CB-CG 4.4Å; F374-R422 HydrophobicContact CD2-CG 4.36Å; F374-R422 HydrophobicContact CG-CG 4.2Å; W375-R422 PolarHBondContact NE1-O 3.02Å; R422-S424 VanDerWaalsContact C-N 3.3Å
423	D	96.2	Very high	98.3	Very high	75 Å²	75	16.9 Å²	16.9	40%	0.401	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	0.7	173.9	70.4	-27.5	0	0	0	113.3	S421 S425 R441	S421-D423 VanDerWaalsContact C-N 3.26Å; S421-D423 VanDerWaalsContact CB-OD1 3.29Å; S421-D423 WeakPolarHBondContact CB-OD1 3.46Å; S421-D423 PolarHBondContact O-N 3.2Å; S421-D423 PolarHBondContact OG-OD1 3.44Å; D423-S425 PolarHBondContact O-N 2.89Å; D423-S425 VanDerWaalsContact O-N 3.17Å; D423-S425 PolarHBondContact OD1-N 3.03Å; D423-S425 PolarHBondContact OD1-OG 3.49Å; D423-S425 WeakPolarHBondContact OD2-CB 3.41Å; D423-S425 PolarHBondContact OD2-OG 2.97Å; D423-R441 PolarHBondContact O-NH2 2.85Å
424	S	97.1	Very high	98.3	Very high	3 Å²	3	15.8 Å²	15.8	2%	0.021	8%	0.079	C	C	.	.	S	Bend	trans	54.8	23.8	-174.6	6.7	0	0	0	0	114.9	D373 S421 R422 R441	D373-S424 VanDerWaalsContact OD2-CB 3.32Å; D373-S424 WeakPolarHBondContact OD2-CB 3.29Å; D373-S424 PolarHBondContact OD2-OG 3.5Å; S421-S424 VanDerWaalsContact O-CA 3.31Å; S421-S424 WeakPolarHBondContact O-CA 3.11Å; S421-S424 PolarHBondContact O-N 3.12Å; R422-S424 VanDerWaalsContact C-N 3.3Å; S424-R441 WeakPolarHBondContact O-CD 3.27Å; S424-R441 PolarHBondContact O-NE 3.46Å; S424-R441 VanDerWaalsContact O-NE 3.11Å; S424-R441 PolarHBondContact O-NH1 2.65Å; S424-R441 PolarHBondContact O-NH2 2.84Å
425	S	96.6	Very high	98.3	Very high	33 Å²	33	15.7 Å²	15.7	23%	0.231	8%	0.077	C	C	.	.	S	Bend	trans	-80.1	-24.7	176.8	67	0	0	0	0	114.1	S421 D423 R441	S421-S425 PolarHBondContact OG-N 3.33Å; S421-S425 VanDerWaalsContact OG-N 3.12Å; D423-S425 PolarHBondContact O-N 2.89Å; D423-S425 VanDerWaalsContact O-N 3.17Å; D423-S425 PolarHBondContact OD1-N 3.03Å; D423-S425 PolarHBondContact OD1-OG 3.49Å; D423-S425 WeakPolarHBondContact OD2-CB 3.41Å; D423-S425 PolarHBondContact OD2-OG 2.97Å; S425-R441 WeakPolarHBondContact O-CB 3.32Å; S425-R441 PolarHBondContact O-N 3.38Å
426	I	98.3	Very high	98.3	Very high	8 Å²	8	15.6 Å²	15.6	4%	0.041	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	141.3	178	-54.1	178.5	0	0	0	109.3	F103 L113 C128 F420 S421 I428 R438	F103-I426 HydrophobicContact CE2-CG2 4.49Å; F103-I426 HydrophobicContact CZ-CB 4.12Å; F103-I426 HydrophobicContact CZ-CG2 3.92Å; L113-I426 HydrophobicContact CD1-CD1 3.73Å; L113-I426 HydrophobicContact CD1-CG1 4.27Å; C128-I426 HydrophobicContact CB-CD1 3.57Å; F420-I426 CarbonylContact C-O 3.59Å; F420-I426 WeakPolarHBondContact CA-O 3.41Å; S421-I426 PolarHBondContact N-O 3.03Å; S421-I426 PolarHBondContact OG-N 2.74Å; S421-I426 PolarHBondContact OG-O 2.96Å; I426-I428 HydrophobicContact CG2-CD1 4.14Å; I426-I428 HydrophobicContact CG2-CG1 4.29Å; I426-R438 HydrophobicContact CG2-CG 3.76Å
427	L	98.7	Very high	98.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	119.6	169.6	174.6	57.9	0	0	0	108.3	F84 A380 L388 V390 L406 F420 W439	F84-L427 HydrophobicContact CD1-CB 4.22Å; F84-L427 HydrophobicContact CE1-CB 3.92Å; F84-L427 HydrophobicContact CE1-CD2 4.49Å; A380-L427 HydrophobicContact CB-CD1 4.24Å; A380-L427 HydrophobicContact CB-CD2 4.25Å; L388-L427 HydrophobicContact CD2-CD2 3.81Å; L388-L427 HydrophobicContact CD2-CG 4.17Å; L388-L427 HydrophobicContact CG-CD2 4.39Å; V390-L427 HydrophobicContact CG2-CD2 3.86Å; L406-L427 HydrophobicContact CD1-CD2 4.37Å; F420-L427 HydrophobicContact CD1-CB 4Å; F420-L427 HydrophobicContact CD1-CD1 3.87Å; F420-L427 HydrophobicContact CD1-CG 4.36Å; F420-L427 HydrophobicContact CD2-CD1 4.14Å; F420-L427 HydrophobicContact CE1-CB 4.02Å; F420-L427 HydrophobicContact CE1-CD1 3.82Å; F420-L427 HydrophobicContact CE1-CD2 3.84Å; F420-L427 HydrophobicContact CE1-CG 4.11Å; F420-L427 HydrophobicContact CE2-CD1 4.12Å; F420-L427 HydrophobicContact CG-CD1 4.04Å; F420-L427 HydrophobicContact CZ-CD1 3.97Å; F420-L427 HydrophobicContact CZ-CD2 4.06Å; L427-W439 HydrophobicContact CB-CB 4.23Å; L427-W439 PolarHBondContact N-O 3.18Å; L427-W439 WeakPolarHBondContact O-CB 3.48Å; L427-W439 PolarHBondContact O-N 3.05Å
428	I	98.9	Very high	98.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	141.8	173.7	-60.2	-70.1	0	0	0	109.1	V101 F103 F115 T418 S419 I426 V430 I436 W437 R438	V101-I428 HydrophobicContact CG2-CB 4.36Å; V101-I428 HydrophobicContact CG2-CG2 3.82Å; F103-I428 HydrophobicContact CE2-CB 4.12Å; F103-I428 HydrophobicContact CE2-CG1 3.46Å; F103-I428 VanDerWaalsContact CE2-CG1 3.46Å; F103-I428 HydrophobicContact CZ-CD1 4.39Å; F103-I428 HydrophobicContact CZ-CG1 3.51Å; F115-I428 HydrophobicContact CD1-CD1 4.31Å; F115-I428 HydrophobicContact CD1-CG1 4.05Å; F115-I428 HydrophobicContact CD2-CG2 4.32Å; F115-I428 HydrophobicContact CE1-CD1 3.72Å; F115-I428 HydrophobicContact CE1-CG1 3.94Å; F115-I428 HydrophobicContact CE2-CG1 4.45Å; F115-I428 HydrophobicContact CE2-CG2 3.93Å; F115-I428 HydrophobicContact CG-CG1 4.36Å; F115-I428 HydrophobicContact CZ-CD1 3.85Å; F115-I428 HydrophobicContact CZ-CG1 4.14Å; F115-I428 HydrophobicContact CZ-CG2 4.19Å; T418-I428 CarbonylContact C-O 3.56Å; T418-I428 WeakPolarHBondContact CA-O 3.44Å; T418-I428 WeakPolarHBondContact CB-O 3.44Å; S419-I428 PolarHBondContact N-O 3.45Å; S419-I428 PolarHBondContact O-N 2.76Å; I426-I428 HydrophobicContact CG2-CD1 4.14Å; I426-I428 HydrophobicContact CG2-CG1 4.29Å; I428-V430 HydrophobicContact CG2-CG1 4.3Å; I428-I436 HydrophobicContact CG2-CG2 3.71Å; I428-W437 WeakPolarHBondContact CA-O 3.45Å; I428-R438 HydrophobicContact CD1-CB 3.73Å; I428-R438 HydrophobicContact CD1-CG 3.85Å
429	A	98.8	Very high	98.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	138.4	171.1	0	0	0	0	0	110.4	L388 I415 T418 I436 W437	L388-A429 HydrophobicContact CD2-CB 4.16Å; I415-A429 HydrophobicContact CG2-CB 3.77Å; T418-A429 HydrophobicContact CG2-CB 3.75Å; A429-I436 WeakPolarHBondContact O-CA 3.41Å; A429-W437 HydrophobicContact CB-CB 4.44Å; A429-W437 PolarHBondContact N-O 3.37Å; A429-W437 PolarHBondContact O-N 3.32Å
430	V	98.9	Very high	98.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	148.7	178.8	-60.1	0	0	0	0	111.8	L98 V101 T117 I415 R416 Q417 I428 S435 I436	L98-V430 HydrophobicContact CB-CB 3.79Å; L98-V430 HydrophobicContact CB-CG2 4.1Å; L98-V430 HydrophobicContact CD1-CB 4.24Å; L98-V430 HydrophobicContact CD1-CG1 4.35Å; L98-V430 WeakPolarHBondContact O-CG2 3.36Å; V101-V430 HydrophobicContact CB-CB 4.4Å; V101-V430 HydrophobicContact CB-CG1 3.7Å; V101-V430 HydrophobicContact CB-CG2 3.79Å; V101-V430 HydrophobicContact CG1-CB 4.46Å; V101-V430 HydrophobicContact CG1-CG1 4.04Å; V101-V430 HydrophobicContact CG1-CG2 3.7Å; V101-V430 HydrophobicContact CG2-CG1 3.97Å; T117-V430 HydrophobicContact CG2-CG1 3.87Å; I415-V430 CarbonylContact C-O 3.56Å; I415-V430 WeakPolarHBondContact CA-O 3.47Å; R416-V430 PolarHBondContact N-O 2.9Å; Q417-V430 PolarHBondContact O-N 3.27Å; I428-V430 HydrophobicContact CG2-CG1 4.3Å; V430-S435 WeakPolarHBondContact CA-O 3.42Å; V430-I436 HydrophobicContact CG1-CG1 4.16Å; V430-I436 HydrophobicContact CG1-CG2 4.27Å
431	C	98.8	Very high	98.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	164.5	-162.9	-41.4	0	0	0	0	115.2	L98 A414 D433 A434 S435 W437	L98-C431 PolarHBondContact N-O 3.46Å; L98-C431 VanDerWaalsContact N-O 3.13Å; A414-C431 CarbonylContact O-C 3.59Å; A414-C431 WeakPolarHBondContact O-CA 3.38Å; A414-C431 WeakPolarHBondContact O-CB 3.26Å; C431-D433 VanDerWaalsContact CB-OD1 3.23Å; C431-D433 WeakPolarHBondContact CB-OD1 3.36Å; C431-D433 PolarHBondContact O-N 2.99Å; C431-A434 PolarHBondContact O-N 3.1Å; C431-S435 PolarHBondContact N-O 3.44Å; C431-S435 PolarHBondContact SG-O 2.89Å; C431-S435 PolarHBondContact SG-OG 2.76Å; C431-W437 VanDerWaalsContact SG-CD1 3.52Å
432	D	98.5	Very high	97.9	Very high	40 Å²	40	26.1 Å²	26.1	21%	0.214	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.7	179.4	-77.8	-0.6	0	0	0	114.8	P97 A414 R416 A434	P97-D432 WeakPolarHBondContact CA-O 3.23Å; P97-D432 HydrophobicContact CB-CB 4.35Å; P97-D432 HydrophobicContact CG-CB 4.4Å; A414-D432 HydrophobicContact CB-CB 4.44Å; A414-D432 PolarHBondContact O-N 3.23Å; R416-D432 WeakPolarHBondContact CD-OD1 3.47Å; R416-D432 WeakPolarHBondContact CG-OD1 3.27Å; R416-D432 IonicContact CZ-OD1 2.91Å; R416-D432 IonicContact CZ-OD2 2.64Å; R416-D432 IonicContact NE-OD1 3Å; R416-D432 PolarHBondContact NE-OD1 3.01Å; R416-D432 IonicContact NE-OD2 2.7Å; R416-D432 PolarHBondContact NE-OD2 2.81Å; R416-D432 IonicContact NH2-OD1 2.73Å; R416-D432 IonicContact NH2-OD2 2.75Å; R416-D432 PolarHBondContact NH2-OD2 2.68Å; D432-A434 VanDerWaalsContact C-N 3.3Å; D432-A434 PolarHBondContact O-N 2.69Å
433	D	98.3	Very high	97	Very high	32 Å²	32	37 Å²	37	17%	0.171	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	26.7	177.7	72.2	-39.9	0	0	0	112.7	R91 S413 C431 S435	R91-D433 WeakPolarHBondContact CD-O 3.11Å; R91-D433 WeakPolarHBondContact CG-O 3.33Å; R91-D433 IonicContact CZ-OD2 3.77Å; R91-D433 PolarHBondContact NE-O 2.77Å; R91-D433 IonicContact NE-OD2 3.33Å; R91-D433 IonicContact NH2-OD2 3.28Å; R91-D433 PolarHBondContact NH2-OD2 2.86Å; S413-D433 VanDerWaalsContact CB-CG 3.46Å; S413-D433 WeakPolarHBondContact CB-OD1 3.34Å; S413-D433 PolarHBondContact OG-N 3.27Å; S413-D433 VanDerWaalsContact OG-N 3.16Å; S413-D433 PolarHBondContact OG-OD1 2.85Å; C431-D433 VanDerWaalsContact CB-OD1 3.23Å; C431-D433 WeakPolarHBondContact CB-OD1 3.36Å; C431-D433 PolarHBondContact O-N 2.99Å; D433-S435 VanDerWaalsContact CG-OG 3.29Å; D433-S435 PolarHBondContact O-N 3.49Å; D433-S435 VanDerWaalsContact O-N 3.13Å; D433-S435 VanDerWaalsContact OD1-CB 3.27Å; D433-S435 WeakPolarHBondContact OD1-CB 3.41Å; D433-S435 PolarHBondContact OD1-N 2.94Å; D433-S435 PolarHBondContact OD1-OG 3.15Å; D433-S435 PolarHBondContact OD2-OG 2.89Å
434	A	98.5	Very high	97	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	56.6	15.1	-170.6	0	0	0	0	0	115.5	R91 E92 Q96 C431 D432	R91-A434 VanDerWaalsContact CA-O 3.32Å; R91-A434 WeakPolarHBondContact CA-O 3.45Å; R91-A434 HydrophobicContact CG-CB 3.81Å; R91-A434 WeakPolarHBondContact CG-O 3.18Å; E92-A434 HydrophobicContact CB-CB 4.34Å; E92-A434 PolarHBondContact N-O 2.98Å; Q96-A434 WeakPolarHBondContact O-CA 3.5Å; Q96-A434 VanDerWaalsContact O-CB 3.3Å; Q96-A434 WeakPolarHBondContact O-CB 3.48Å; C431-A434 PolarHBondContact O-N 3.1Å; D432-A434 VanDerWaalsContact C-N 3.3Å; D432-A434 PolarHBondContact O-N 2.69Å
435	S	98.6	Very high	97	Very high	5 Å²	5	36.7 Å²	36.7	4%	0.035	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	140.4	-174.5	72.8	0	0	0	0	113.8	L90 V430 C431 D433 W437	L90-S435 WeakPolarHBondContact O-CA 3.49Å; V430-S435 WeakPolarHBondContact CA-O 3.42Å; C431-S435 PolarHBondContact N-O 3.44Å; C431-S435 PolarHBondContact SG-O 2.89Å; C431-S435 PolarHBondContact SG-OG 2.76Å; D433-S435 VanDerWaalsContact CG-OG 3.29Å; D433-S435 PolarHBondContact O-N 3.49Å; D433-S435 VanDerWaalsContact O-N 3.13Å; D433-S435 VanDerWaalsContact OD1-CB 3.27Å; D433-S435 WeakPolarHBondContact OD1-CB 3.41Å; D433-S435 PolarHBondContact OD1-N 2.94Å; D433-S435 PolarHBondContact OD1-OG 3.15Å; D433-S435 PolarHBondContact OD2-OG 2.89Å; S435-W437 PolarHBondContact OG-NE1 3.06Å
436	I	98.8	Very high	97	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.6	177.9	-50.8	-178.7	0	0	0	108.4	S89 L90 E92 L98 F115 T117 Y126 I428 A429 V430	S89-I436 CarbonylContact C-O 3.29Å; S89-I436 VanDerWaalsContact CA-O 3.23Å; S89-I436 WeakPolarHBondContact CA-O 3.47Å; L90-I436 HydrophobicContact CD1-CB 4.28Å; L90-I436 HydrophobicContact CD1-CD1 3.77Å; L90-I436 HydrophobicContact CD1-CG1 4.1Å; L90-I436 HydrophobicContact CG-CB 4.31Å; L90-I436 HydrophobicContact CG-CD1 4.45Å; L90-I436 PolarHBondContact N-O 3Å; L90-I436 PolarHBondContact O-N 3.03Å; E92-I436 HydrophobicContact CG-CD1 4.32Å; L98-I436 HydrophobicContact CD1-CD1 4.14Å; L98-I436 HydrophobicContact CD1-CG1 3.66Å; F115-I436 HydrophobicContact CE2-CD1 4.49Å; F115-I436 HydrophobicContact CE2-CG2 4.06Å; F115-I436 HydrophobicContact CZ-CG2 4.04Å; T117-I436 HydrophobicContact CG2-CD1 3.78Å; T117-I436 HydrophobicContact CG2-CG1 4.49Å; Y126-I436 HydrophobicContact CD2-CD1 4.05Å; Y126-I436 HydrophobicContact CE2-CD1 3.37Å; I428-I436 HydrophobicContact CG2-CG2 3.71Å; A429-I436 WeakPolarHBondContact O-CA 3.41Å; V430-I436 HydrophobicContact CG1-CG1 4.16Å; V430-I436 HydrophobicContact CG1-CG2 4.27Å
437	W	98.7	Very high	97	Very high	16 Å²	16	38.6 Å²	38.6	6%	0.061	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.4	-178.1	-58.8	83.2	0	0	0	111.1	S89 L408 K410 C411 I428 A429 C431 S435	S89-W437 VanDerWaalsContact CB-CZ3 3.44Å; L408-W437 HydrophobicContact CD1-CD2 4.33Å; L408-W437 HydrophobicContact CD1-CE3 3.32Å; L408-W437 HydrophobicContact CD1-CZ3 3.49Å; L408-W437 VanDerWaalsContact CD1-CZ3 3.49Å; K410-W437 HydrophobicContact CB-CH2 3.73Å; K410-W437 HydrophobicContact CB-CZ3 4.43Å; C411-W437 HydrophobicContact CB-CD2 4.05Å; C411-W437 HydrophobicContact CB-CE3 4.3Å; C411-W437 HydrophobicContact CB-CH2 4Å; C411-W437 HydrophobicContact CB-CZ2 3.7Å; C411-W437 HydrophobicContact CB-CZ3 4.28Å; I428-W437 WeakPolarHBondContact CA-O 3.45Å; A429-W437 HydrophobicContact CB-CB 4.44Å; A429-W437 PolarHBondContact N-O 3.37Å; A429-W437 PolarHBondContact O-N 3.32Å; C431-W437 VanDerWaalsContact SG-CD1 3.52Å; S435-W437 PolarHBondContact OG-NE1 3.06Å
438	R	98.6	Very high	96.8	Very high	8 Å²	8	41.1 Å²	41.1	3%	0.03	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	121	179.3	179.7	-178.1	159.4	173.3	-4.9	112.1	C86 V87 N88 H129 E133 I134 I426 I428 D440	C86-R438 WeakPolarHBondContact CA-O 3.35Å; V87-R438 HydrophobicContact CG2-CB 4.23Å; V87-R438 HydrophobicContact CG2-CG 3.7Å; V87-R438 PolarHBondContact N-O 2.96Å; N88-R438 HydrophobicContact CB-CB 4.48Å; N88-R438 PolarHBondContact O-N 2.73Å; H129-R438 PolarHBondContact O-NH1 3.33Å; H129-R438 PolarHBondContact O-NH2 3.38Å; E133-R438 PolarHBondContact O-NH1 3.07Å; I134-R438 HydrophobicContact CD1-CB 3.77Å; I134-R438 HydrophobicContact CG1-CB 4.21Å; I426-R438 HydrophobicContact CG2-CG 3.76Å; I428-R438 HydrophobicContact CD1-CB 3.73Å; I428-R438 HydrophobicContact CD1-CG 3.85Å; R438-D440 WeakPolarHBondContact CG-OD1 3.23Å; R438-D440 IonicContact CZ-OD1 2.89Å; R438-D440 IonicContact CZ-OD2 3.79Å; R438-D440 IonicContact NE-OD1 2.68Å; R438-D440 PolarHBondContact NE-OD1 2.99Å; R438-D440 IonicContact NE-OD2 3.16Å; R438-D440 IonicContact NH2-OD1 3.59Å; R438-D440 PolarHBondContact NH2-OD1 3.15Å; R438-D440 IonicContact NH2-OD2 3.58Å; R438-D440 PolarHBondContact NH2-OD2 2.74Å
439	W	98.4	Very high	96.7	Very high	12 Å²	12	43.8 Å²	43.8	5%	0.045	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	112.8	-180	-61.8	87.4	0	0	0	110.5	F84 K85 C86 L406 L408 L427	F84-W439 HydrophobicContact CB-CB 4.19Å; F84-W439 HydrophobicContact CB-CE3 4.33Å; F84-W439 HydrophobicContact CD1-CB 4.26Å; K85-W439 WeakPolarHBondContact O-CA 3.47Å; C86-W439 HydrophobicContact CB-CD2 4.06Å; C86-W439 HydrophobicContact CB-CE3 3.82Å; C86-W439 HydrophobicContact CB-CH2 4.08Å; C86-W439 HydrophobicContact CB-CZ2 4.3Å; C86-W439 HydrophobicContact CB-CZ3 3.83Å; C86-W439 VanDerWaalsContact N-CE3 3.26Å; L406-W439 HydrophobicContact CB-CD2 4.42Å; L406-W439 HydrophobicContact CB-CE3 4.07Å; L406-W439 HydrophobicContact CB-CH2 3.69Å; L406-W439 HydrophobicContact CB-CZ2 4.06Å; L406-W439 HydrophobicContact CB-CZ3 3.71Å; L406-W439 HydrophobicContact CD1-CD2 4.1Å; L406-W439 HydrophobicContact CD1-CE3 3.96Å; L406-W439 HydrophobicContact CD1-CG 4.43Å; L406-W439 HydrophobicContact CD1-CZ3 4.44Å; L406-W439 HydrophobicContact CD2-CE3 4.26Å; L406-W439 HydrophobicContact CD2-CZ3 4.15Å; L406-W439 HydrophobicContact CG-CE3 4.32Å; L406-W439 HydrophobicContact CG-CZ3 4.31Å; L408-W439 HydrophobicContact CD1-CH2 3.88Å; L408-W439 HydrophobicContact CD1-CZ2 3.64Å; L408-W439 HydrophobicContact CD2-CH2 4.1Å; L408-W439 HydrophobicContact CG-CH2 3.62Å; L408-W439 HydrophobicContact CG-CZ2 3.83Å; L427-W439 HydrophobicContact CB-CB 4.23Å; L427-W439 PolarHBondContact N-O 3.18Å; L427-W439 WeakPolarHBondContact O-CB 3.48Å; L427-W439 PolarHBondContact O-N 3.05Å
440	D	98	Very high	96.6	Very high	38 Å²	38	46.9 Å²	46.9	20%	0.203	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	132.3	178.4	-72.3	18.2	0	0	0	109.8	F84 K85 V87 R438	F84-D440 WeakPolarHBondContact CA-O 3.47Å; K85-D440 PolarHBondContact N-O 2.88Å; K85-D440 PolarHBondContact O-N 3.13Å; V87-D440 HydrophobicContact CG1-CB 3.95Å; V87-D440 HydrophobicContact CG2-CB 4.32Å; V87-D440 WeakPolarHBondContact CG2-OD1 3.45Å; R438-D440 WeakPolarHBondContact CG-OD1 3.23Å; R438-D440 IonicContact CZ-OD1 2.89Å; R438-D440 IonicContact CZ-OD2 3.79Å; R438-D440 IonicContact NE-OD1 2.68Å; R438-D440 PolarHBondContact NE-OD1 2.99Å; R438-D440 IonicContact NE-OD2 3.16Å; R438-D440 IonicContact NH2-OD1 3.59Å; R438-D440 PolarHBondContact NH2-OD1 3.15Å; R438-D440 IonicContact NH2-OD2 3.58Å; R438-D440 PolarHBondContact NH2-OD2 2.74Å
441	R	96.4	Very high	96.4	Very high	81 Å²	81	50.5 Å²	50.5	31%	0.306	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	126.6	-178.7	-169.6	171.6	61.5	-171.1	-14.5	110.3	F84 D423 S424 S425	F84-R441 HydrophobicContact CD1-CB 3.84Å; F84-R441 HydrophobicContact CD1-CG 4.4Å; F84-R441 HydrophobicContact CE1-CB 3.56Å; F84-R441 HydrophobicContact CE1-CG 3.99Å; F84-R441 HydrophobicContact CE2-CG 4.38Å; F84-R441 HydrophobicContact CZ-CB 4.06Å; F84-R441 HydrophobicContact CZ-CG 3.96Å; D423-R441 PolarHBondContact O-NH2 2.85Å; S424-R441 WeakPolarHBondContact O-CD 3.27Å; S424-R441 PolarHBondContact O-NE 3.46Å; S424-R441 VanDerWaalsContact O-NE 3.11Å; S424-R441 PolarHBondContact O-NH1 2.65Å; S424-R441 PolarHBondContact O-NH2 2.84Å; S425-R441 WeakPolarHBondContact O-CB 3.32Å; S425-R441 PolarHBondContact O-N 3.38Å
442	Q	92.9	Very high	96.2	Very high	103 Å²	103	54.8 Å²	54.8	48%	0.481	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-76.4	142.1	172.5	-58.2	-174.1	-51.3	0	0	109.8	S83 K85	S83-Q442 PolarHBondContact O-N 3.45Å; S83-Q442 PolarHBondContact OG-OE1 2.57Å; K85-Q442 HydrophobicContact CB-CG 4.38Å
443	R	78.5	Confident	96	Very high	322 Å²	322	56.1 Å²	56.1	100%	1.215	23%	0.232	S	C	*	.			trans	-87.4	0	175.6	-66.3	-175.1	178.3	-168.9	-1.5	111.2

Retrieved 443 of 443 residues in 815.8 ms (Link to these results)

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