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Uromodulin

Functions in biogenesis and organization of the apical membrane of epithelial cells of the thick ascending limb of Henle's loop (TALH), where it promotes formation of complex filamentous gel-like structure that may play a role in the water barrier permeability. May serve as a receptor for binding and endocytosis of cytokines (IL-1, IL-2) and TNF. Facilitates neutrophil migration across renal epithelia. In the urine, may contribute to colloid osmotic pressure, retards passage of positively charged electrolytes, and inhibits formation of liquid containing supersaturated salts and subsequent formation of salt crystals. Protects against urinary tract infections by binding to type 1 fimbriated E.coli. Binds to bacterial adhesin fimH which mediates the stable formation of bacterial aggregates, prevents the binding of E.coli to uroplakins UPK1A and UPK1B which act as urothelial receptors for type I fimbriae, and allows for pathogen clearance through micturation. Also promotes aggregation of other bacteria including K.pneumoniae, P.aeruginosa and S.mitis and so may also protect against other uropathogens.

AlphaFold DB , UniProt , Accession X6RBG4, Species HUMAN (Homo sapiens, Human), Gene UMOD, Length 689 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36	Very low	31.1	Very low	253 Å²	253	172 Å²	172	100%	1.246	85%	0.852	S	S	*	*				0	172.1	0	-79.5	175.4	173	0	0	109.2
2	R	30.1	Very low	30.6	Very low	225 Å²	225	171.9 Å²	171.9	85%	0.849	84%	0.843	S	S	*	*			trans	-72.7	142.6	-158	-77.4	175.7	174.9	176	-2.2	116.4
3	H	29.6	Very low	30.1	Very low	160 Å²	160	176.6 Å²	176.6	74%	0.741	85%	0.846	S	S	*	*			trans	54.3	146.7	143.5	-61.7	-58.1	0	0	0	119
4	I	31.1	Very low	29.8	Very low	163 Å²	163	171.5 Å²	171.5	84%	0.836	83%	0.825	S	S	*	*			cis	-138.2	143.9	43.5	-73.2	167.3	0	0	0	112.9
5	M	37.1	Very low	29.6	Very low	165 Å²	165	172.7 Å²	172.7	81%	0.813	83%	0.829	S	S	*	*			trans	-91	153.4	165.6	-82.2	177.4	151.3	0	0	110.7
6	T	27.1	Very low	29.4	Very low	135 Å²	135	168.3 Å²	168.3	83%	0.828	81%	0.811	S	S	*	*				-166.3	127.2	119.9	18.9	0	0	0	0	113.4
7	R	32.3	Very low	29.4	Very low	237 Å²	237	166.7 Å²	166.7	89%	0.894	82%	0.815	S	S	*	*			trans	-81.8	153.9	144.6	-78.4	176.9	165	-175.7	-4.6	107.9
8	L	26.5	Very low	29.4	Very low	152 Å²	152	167.8 Å²	167.8	80%	0.796	81%	0.809	S	S	*	*			trans	-174.8	118.6	136.7	-99.1	148.3	0	0	0	112.9
9	T	27.4	Very low	29.4	Very low	117 Å²	117	166 Å²	166	72%	0.718	80%	0.799	S	S	*	*			trans	30	140	138.4	57.1	0	0	0	0	124.1
10	L	30.1	Very low	29.4	Very low	160 Å²	160	165.5 Å²	165.5	84%	0.838	80%	0.795	S	S	*	*			trans	-41.8	159.4	153.1	-74.4	151.8	0	0	0	115
11	P	35.2	Very low	29.6	Very low	125 Å²	125	167.1 Å²	167.1	81%	0.812	79%	0.793	S	S	*	*				-137.4	167.8	115.8	38.1	-27.8	0	0	0	116.5
12	F	25.4	Very low	29.3	Very low	171 Å²	171	161.2 Å²	161.2	75%	0.75	76%	0.762	S	S	*	*			trans	-79.4	157.3	178.7	-118.1	-112.8	0	0	0	114	L14	F12-L14 HydrophobicContact CD1-CD1 4.24Å; F12-L14 HydrophobicContact CE1-CD1 4.34Å
13	W	24.1	Very low	29.3	Very low	233 Å²	233	158.4 Å²	158.4	88%	0.883	75%	0.752	S	S	*	*			trans	165.6	119.2	139.1	-94.2	103.1	0	0	0	106.9
14	L	25.5	Very low	29.3	Very low	105 Å²	105	156.1 Å²	156.1	55%	0.55	74%	0.741	S	S	.	*			cis	102.2	98.4	23.5	-156.1	170.2	0	0	0	114	F12	F12-L14 HydrophobicContact CD1-CD1 4.24Å; F12-L14 HydrophobicContact CE1-CD1 4.34Å
15	Q	26.5	Very low	29.1	Very low	189 Å²	189	155 Å²	155	88%	0.883	73%	0.73	S	S	*	*			trans	-176.4	108.9	153.2	-102.5	173.2	-3.5	0	0	105.5
16	D	27.3	Very low	28.6	Very low	102 Å²	102	155 Å²	155	55%	0.545	73%	0.726	S	S	.	*			cis	74.6	99.4	48.9	-161.8	8.2	0	0	0	115.1	R18	D16-R18 PolarHBondContact OD1-N 3.23Å; D16-R18 IonicContact OD2-NE 2.72Å
17	T	28.6	Very low	28.7	Very low	142 Å²	142	157.4 Å²	157.4	87%	0.871	73%	0.725	S	S	*	*			trans	-140.2	121.6	136.5	47.5	0	0	0	0	111.1
18	R	28.9	Very low	28.6	Very low	186 Å²	186	149.6 Å²	149.6	70%	0.702	72%	0.718	S	S	*	*			trans	-71.2	175.7	165.2	-38.9	174.1	-169.2	173.2	0.2	110	D16	D16-R18 PolarHBondContact OD1-N 3.23Å; D16-R18 IonicContact OD2-NE 2.72Å
19	H	30.4	Very low	29.1	Very low	134 Å²	134	148.7 Å²	148.7	62%	0.62	72%	0.722	S	S	*	*			cis	-148.7	-178.9	8.2	-105	-42.6	0	0	0	106.8
20	Q	29.6	Very low	29.1	Very low	155 Å²	155	150 Å²	150	72%	0.724	73%	0.73	S	S	*	*			cis	-151.8	151	10.6	-128.9	142.8	-125.1	0	0	106.6
21	R	32	Very low	29	Very low	200 Å²	200	153.3 Å²	153.3	76%	0.755	73%	0.731	S	S	*	*				57.6	126	69	-107.2	-166	-160.2	-161.2	9.4	111.8
22	Q	30.3	Very low	28.6	Very low	129 Å²	129	155.4 Å²	155.4	60%	0.603	74%	0.735	S	S	*	*			cis	-169.8	172.4	37.7	-88.4	-154.6	-22.5	0	0	108.7
23	R	29.7	Very low	28.6	Very low	166 Å²	166	151.5 Å²	151.5	63%	0.626	73%	0.729	S	S	*	*			cis	-165.1	145	-10.8	-113.9	-168.6	164	-175.8	-17.5	108.3
24	E	29.3	Very low	28.8	Very low	112 Å²	112	150.5 Å²	150.5	52%	0.523	73%	0.731	S	S	.	*				57.5	149.5	100.8	-67.1	-177.8	178.9	0	0	116.1
25	K	27.7	Very low	28.9	Very low	139 Å²	139	148.9 Å²	148.9	60%	0.604	74%	0.74	S	S	*	*			cis	-166.3	135.6	-0.4	-117.8	168	-173.5	155.4	0	109.3
26	F	26.6	Very low	28.9	Very low	165 Å²	165	148.8 Å²	148.8	72%	0.724	74%	0.739	S	S	*	*				86	137.8	98.9	-98	-135.6	0	0	0	119.5
27	K	28.6	Very low	28.9	Very low	186 Å²	186	149.6 Å²	149.6	81%	0.809	75%	0.748	S	S	*	*			trans	69.5	124	146.3	-76.8	-179.5	178.7	179.3	0	120.1
28	G	30.6	Very low	28.9	Very low	73 Å²	73	150.3 Å²	150.3	75%	0.753	75%	0.745	S	S	*	*			trans	-91.4	-164.8	165.7	0	0	0	0	0	113.8
29	P	36.6	Very low	28.8	Very low	134 Å²	134	147.2 Å²	147.2	87%	0.87	75%	0.752	S	S	*	*			trans	-116.4	169.3	-167.9	39.8	-29.6	0	0	0	115.8
30	T	28.6	Very low	28.8	Very low	145 Å²	145	152.3 Å²	152.3	89%	0.89	77%	0.766	S	S	*	*			trans	-116.7	159.6	175	-28.9	0	0	0	0	110.9
31	R	27.9	Very low	29.3	Very low	228 Å²	228	149.7 Å²	149.7	86%	0.86	76%	0.762	S	S	*	*			trans	-51.8	150.1	-178.4	-63.2	172.6	169	174.3	-5	116
32	L	27.4	Very low	29.1	Very low	170 Å²	170	148.7 Å²	148.7	89%	0.89	77%	0.766	S	S	*	*				-173.8	-174.7	109.2	-99.5	160.4	0	0	0	112.5
33	S	25.4	Very low	29.1	Very low	89 Å²	89	148.8 Å²	148.8	62%	0.622	78%	0.776	S	S	*	*			trans	-130	179.1	-142.7	50.6	0	0	0	0	117.3
34	F	27.7	Very low	29	Very low	211 Å²	211	145.8 Å²	145.8	93%	0.925	79%	0.786	S	S	*	*			trans	80.3	139.6	165.2	-83.9	-87.3	0	0	0	121
35	G	26.5	Very low	28.9	Very low	71 Å²	71	143.7 Å²	143.7	73%	0.732	80%	0.795	S	S	*	*			trans	132.7	67.8	140.1	0	0	0	0	0	122
36	Q	27.9	Very low	28.8	Very low	188 Å²	188	149.2 Å²	149.2	88%	0.879	81%	0.812	S	S	*	*			trans	47	136.9	135.3	-89	-174.5	-34.6	0	0	125.7
37	V	27.7	Very low	28.9	Very low	118 Å²	118	145.2 Å²	145.2	72%	0.715	81%	0.809	S	S	*	*			trans	92	116.5	134.4	171.9	0	0	0	0	122.5
38	L	28.6	Very low	28.9	Very low	157 Å²	157	143.4 Å²	143.4	82%	0.822	80%	0.804	S	S	*	*			trans	22.8	125.1	147.5	-66	159.4	0	0	0	121.9
39	S	26.3	Very low	28.7	Very low	121 Å²	121	149.5 Å²	149.5	85%	0.846	80%	0.804	S	S	*	*				176.3	152.5	106	39.6	0	0	0	0	114.3
40	R	30.5	Very low	28.3	Very low	241 Å²	241	152.4 Å²	152.4	91%	0.909	81%	0.808	S	S	*	*			trans	-92.1	173.2	163	-85.9	-174.9	175	-177.9	-0.6	108.8
41	P	40.3	Very low	28.3	Very low	100 Å²	100	149.2 Å²	149.2	65%	0.649	80%	0.804	S	S	*	*			cis	-144.2	-179.4	17.3	41.3	-20.1	0	0	0	118.6
42	E	28.1	Very low	28.4	Very low	179 Å²	179	146.6 Å²	146.6	84%	0.836	80%	0.801	S	S	*	*			trans	77.5	149.5	136.3	-90.3	178.8	152.7	0	0	127
43	V	29.5	Very low	28.9	Very low	132 Å²	132	144.4 Å²	144.4	80%	0.8	80%	0.797	S	S	*	*			trans	91.1	109.8	160.3	-162.7	0	0	0	0	121.4
44	A	26.9	Very low	29.2	Very low	102 Å²	102	144.9 Å²	144.9	84%	0.843	80%	0.801	S	S	*	*			trans	22.8	150.4	145.1	0	0	0	0	0	123.2
45	G	26.9	Very low	29.4	Very low	69 Å²	69	141.8 Å²	141.8	71%	0.711	79%	0.793	S	S	*	*			cis	155.8	-177.1	-1.4	0	0	0	0	0	113.1
46	R	26.7	Very low	29.6	Very low	254 Å²	254	144.2 Å²	144.2	96%	0.958	79%	0.794	S	S	*	*			trans	79.3	151.4	166.4	-153.6	178.2	-156.8	176.3	7.1	117.6
47	A	28.4	Very low	29.6	Very low	82 Å²	82	146.7 Å²	146.7	68%	0.678	80%	0.796	S	S	*	*			cis	-170.4	-173	-42.7	0	0	0	0	0	109.1
48	E	27.9	Very low	29.8	Very low	148 Å²	148	148.9 Å²	148.9	69%	0.692	80%	0.8	S	S	*	*			trans	92.8	138.9	168.1	-52.4	-154.5	153.9	0	0	116.9
49	R	28.1	Very low	29.8	Very low	201 Å²	201	148.2 Å²	148.2	76%	0.758	80%	0.796	S	S	*	*			cis	-160.9	178.2	-0.6	-125.9	-177.6	-131.1	-135.7	-2.6	113.1
50	M	27.3	Very low	30.1	Very low	195 Å²	195	150 Å²	150	96%	0.961	79%	0.793	S	S	*	*			trans	88.5	133.4	174.3	-60.4	-175.7	168.5	0	0	116.4
51	G	28.6	Very low	30.2	Very low	77 Å²	77	145.5 Å²	145.5	79%	0.794	79%	0.792	S	S	*	*			cis	157.1	73.9	-7.1	0	0	0	0	0	116.1
52	Q	30	Very low	29.9	Very low	173 Å²	173	146.2 Å²	146.2	81%	0.808	80%	0.795	S	S	*	*			trans	15.8	149.7	148.2	-100.5	179.5	-2.5	0	0	122.5
53	P	38.3	Very low	30.2	Very low	124 Å²	124	144.1 Å²	144.1	81%	0.805	79%	0.794	S	S	*	*				-146.7	-174.4	74.3	39.9	-22.4	0	0	0	114.6
54	S	31.6	Very low	30.3	Very low	100 Å²	100	141.6 Å²	141.6	70%	0.699	79%	0.786	S	S	*	*			cis	-160.1	149.2	-49.3	60.4	0	0	0	0	109
55	L	32.1	Very low	30.9	Very low	146 Å²	146	141.7 Å²	141.7	76%	0.764	78%	0.781	S	S	*	*			trans	-79	169.9	-174.6	-71.7	96.9	0	0	0	115.5
56	T	31.1	Very low	31.1	Very low	121 Å²	121	150.3 Å²	150.3	74%	0.742	79%	0.792	S	S	*	*				150.9	158.7	120.2	51.4	0	0	0	0	110.3
57	W	27.7	Very low	31.8	Very low	241 Å²	241	147.8 Å²	147.8	91%	0.913	79%	0.789	S	S	*	*			cis	-142.2	-172.1	24.8	-98.5	83.2	0	0	0	112.6
58	M	31.3	Very low	32.2	Very low	163 Å²	163	151.6 Å²	151.6	80%	0.803	80%	0.796	S	S	*	*			trans	-127.4	167.7	-167.1	-167	-172.5	-156.5	0	0	112.9
59	L	28.4	Very low	33	Very low	143 Å²	143	150.9 Å²	150.9	75%	0.749	80%	0.802	S	S	*	*			trans	98	112.2	162.2	-79.6	110.2	0	0	0	122.7
60	M	32.8	Very low	33.4	Very low	158 Å²	158	147.9 Å²	147.9	78%	0.778	81%	0.806	S	S	*	*				45.8	119.6	122.1	-62.1	-71.2	-106.7	0	0	122.5
61	V	31.5	Very low	33.9	Very low	147 Å²	147	142.9 Å²	142.9	89%	0.891	80%	0.796	S	S	*	*			trans	-141	141.2	139.6	179.9	0	0	0	0	109.4
62	V	34.8	Very low	34.6	Very low	116 Å²	116	144.1 Å²	144.1	70%	0.703	80%	0.799	S	S	*	*			trans	-128.8	143.7	169.3	-176.8	0	0	0	0	107.7
63	V	33.5	Very low	35	Very low	134 Å²	134	142.3 Å²	142.3	81%	0.812	80%	0.8	S	S	*	*			trans	162.6	123.7	134.4	159.8	0	0	0	0	112.7
64	A	33.1	Very low	35.1	Very low	79 Å²	79	143.5 Å²	143.5	65%	0.653	80%	0.799	S	S	*	*			trans	55.1	107.6	149.9	0	0	0	0	0	123.3
65	S	38.5	Very low	35.8	Very low	105 Å²	105	142.6 Å²	142.6	73%	0.734	79%	0.79	S	S	*	*				68.5	130.7	116.2	-50.1	0	0	0	0	121.3
66	W	31.8	Very low	36.9	Very low	249 Å²	249	140.1 Å²	140.1	94%	0.943	79%	0.785	S	S	*	*				-170.3	152.7	102.3	-99.9	40.8	0	0	0	109.4
67	F	41.7	Very low	38.1	Very low	202 Å²	202	139.8 Å²	139.8	89%	0.886	78%	0.775	S	S	*	*			trans	-78.6	146.2	174.7	-74.3	-98.2	0	0	0	111.2
68	I	37.2	Very low	39.6	Very low	161 Å²	161	128.9 Å²	128.9	83%	0.826	74%	0.736	S	S	*	*			trans	-159.1	142	136.2	-97	146.4	0	0	0	108.5
69	T	43.1	Very low	41.2	Very low	133 Å²	133	130.7 Å²	130.7	82%	0.816	73%	0.734	S	S	*	*			trans	-81.6	135.1	179.3	47.8	0	0	0	0	112.8
70	T	37	Very low	43.4	Very low	139 Å²	139	132.3 Å²	132.3	85%	0.853	73%	0.73	S	S	*	*			trans	-140.9	140.9	150	46.4	0	0	0	0	110.5
71	A	37.4	Very low	45.5	Very low	89 Å²	89	126.8 Å²	126.8	74%	0.736	71%	0.707	S	S	*	*			trans	-40.7	140.8	-170.4	0	0	0	0	0	116.9
72	A	43.9	Very low	47.9	Very low	104 Å²	104	125 Å²	125	86%	0.86	70%	0.7	S	S	*	*			trans	-67.6	125.1	145.7	0	0	0	0	0	108.1
73	T	37.4	Very low	50.2	Low	135 Å²	135	124.1 Å²	124.1	83%	0.828	69%	0.689	S	S	*	*			trans	-99.7	115.5	159	48.3	0	0	0	0	107.6
74	D	42.2	Very low	52.7	Low	148 Å²	148	118.9 Å²	118.9	79%	0.791	66%	0.658	S	S	*	*			trans	-71.8	178.4	176.2	-164.9	7.5	0	0	0	111.8
75	T	44.8	Very low	55.4	Low	82 Å²	82	118.2 Å²	118.2	50%	0.503	64%	0.641	S	S	.	*			trans	77.1	92.7	164.2	74.9	0	0	0	0	119.5	E77	T75-E77 HydrophobicContact CG2-CG 4.32Å; T75-E77 WeakPolarHBondContact CG2-OE1 3.4Å; T75-E77 PolarHBondContact O-N 3.37Å; T75-E77 VanDerWaalsContact O-N 3.17Å
76	S	56.8	Low	57.9	Low	94 Å²	94	117.7 Å²	117.7	66%	0.657	64%	0.637	S	S	*	*			trans	-71.2	78.3	140.9	54	0	0	0	0	109.7
77	E	55.2	Low	60.7	Low	114 Å²	114	108 Å²	108	53%	0.533	60%	0.604	S	S	.	*			trans	-101	118.2	173	-90.3	172.6	-159.7	0	0	110.8	T75	T75-E77 HydrophobicContact CG2-CG 4.32Å; T75-E77 WeakPolarHBondContact CG2-OE1 3.4Å; T75-E77 PolarHBondContact O-N 3.37Å; T75-E77 VanDerWaalsContact O-N 3.17Å
78	A	58.9	Low	63	Low	12 Å²	12	99 Å²	99	10%	0.099	57%	0.567	C	S	.	*	B	Isolated β-bridge	trans	-66.1	140.8	170.8	0	0	0	0	0	110	C99 L110	A78-C99 WeakPolarHBondContact CB-SG 3.4Å; A78-L110 HydrophobicContact CB-CD2 3.75Å; A78-L110 HydrophobicContact CB-CG 4.45Å
79	R	64.4	Low	65.5	Low	201 Å²	201	94.6 Å²	94.6	76%	0.758	55%	0.548	S	S	*	.	S	Bend	trans	-96.4	-16.5	-177.6	-71	-175.5	169.8	-172.9	-3.1	113.8	E83	R79-E83 PolarHBondContact N-OE2 3Å
80	W	74.7	Confident	67.6	Low	176 Å²	176	90.1 Å²	90.1	67%	0.667	52%	0.522	S	S	*	.	S	Bend	trans	-156.6	149.6	175.9	-111.3	-76.7	0	0	0	111.4	S82 E83	W80-S82 PolarHBondContact O-N 2.77Å; W80-E83 PolarHBondContact N-OE2 3.29Å; W80-E83 WeakPolarHBondContact O-CB 3.28Å; W80-E83 PolarHBondContact O-N 3.34Å
81	C	78.4	Confident	70	Confident	43 Å²	43	86.5 Å²	86.5	29%	0.291	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-58.2	-21.2	177.7	-70.3	0	0	0	0	114.7	E83 C84 C90 E92	C81-E83 PolarHBondContact O-N 2.87Å; C81-C84 PolarHBondContact O-N 3.49Å; C81-C90 WeakPolarHBondContact CA-SG 3.01Å; C81-C90 HydrophobicContact CB-CB 3.67Å; C81-C90 WeakPolarHBondContact CB-SG 3.31Å; C81-C90 WeakPolarHBondContact SG-CB 3.42Å; C81-C90 CovalentContact SG-SG 2.03Å; C81-C90 PolarHBondContact SG-SG 2.9Å; C81-E92 PolarHBondContact SG-OE1 3.11Å
82	S	80.4	Confident	72	Confident	108 Å²	108	88.3 Å²	88.3	76%	0.755	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-70.8	-11.1	174.1	55.6	0	0	0	0	114.2	W80	W80-S82 PolarHBondContact O-N 2.77Å
83	E	83.8	Confident	73.3	Confident	99 Å²	99	89.3 Å²	89.3	46%	0.463	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-91.5	-15.2	176.1	-58.1	-179.8	155.2	0	0	112.2	R79 W80 C81 L110	R79-E83 PolarHBondContact N-OE2 3Å; W80-E83 PolarHBondContact N-OE2 3.29Å; W80-E83 WeakPolarHBondContact O-CB 3.28Å; W80-E83 PolarHBondContact O-N 3.34Å; C81-E83 PolarHBondContact O-N 2.87Å; E83-L110 HydrophobicContact CB-CD2 4.03Å; E83-L110 WeakPolarHBondContact O-CD2 3.44Å
84	C	86.1	Confident	74.5	Confident	24 Å²	24	93 Å²	93	16%	0.162	49%	0.491	C	S	.	.	S	Bend	trans	-64.2	150.4	176.5	-58.2	0	0	0	0	112	C81 A88 C90 C99	C81-C84 PolarHBondContact O-N 3.49Å; C84-A88 HydrophobicContact CB-CB 4.17Å; C84-C90 VanDerWaalsContact SG-SG 3.7Å; C84-C99 WeakPolarHBondContact CA-SG 3.38Å; C84-C99 HydrophobicContact CB-CB 3.79Å; C84-C99 WeakPolarHBondContact CB-SG 3.5Å; C84-C99 WeakPolarHBondContact SG-CB 3.36Å; C84-C99 CovalentContact SG-SG 2.04Å; C84-C99 PolarHBondContact SG-SG 2.86Å
85	H	90.1	Very high	75.6	Confident	64 Å²	64	90.7 Å²	90.7	30%	0.296	49%	0.493	S	S	.	.			trans	-61.1	153.3	173.2	-160.7	-108.9	0	0	0	111.5	N87 A88 G109 L110 C112	H85-N87 PolarHBondContact ND1-N 3.33Å; H85-N87 PolarHBondContact O-N 3.48Å; H85-A88 HydrophobicContact CB-CB 4.14Å; H85-A88 WeakPolarHBondContact O-CB 3.3Å; H85-A88 PolarHBondContact O-N 3.29Å; H85-G109 PolarHBondContact N-O 2.88Å; H85-L110 WeakPolarHBondContact CB-O 3.39Å; H85-C112 HydrophobicContact CB-CB 4.08Å; H85-C112 PolarHBondContact CE1-O 2.87Å; H85-C112 PolarHBondContact ND1-O 3.12Å
86	S	90.1	Very high	76.7	Confident	95 Å²	95	89.7 Å²	89.7	66%	0.664	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-26.2	177.6	61	0	0	0	0	113.6	Q102	S86-Q102 PolarHBondContact O-NE2 2.89Å
87	N	91.6	Very high	77.6	Confident	44 Å²	44	86.2 Å²	86.2	24%	0.235	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	30	-179.2	-51.5	3.4	0	0	0	110.7	H85 Q102 F105	H85-N87 PolarHBondContact ND1-N 3.33Å; H85-N87 PolarHBondContact O-N 3.48Å; N87-Q102 VanDerWaalsContact C-CD 3.44Å; N87-Q102 WeakPolarHBondContact O-CB 3.32Å; N87-Q102 WeakPolarHBondContact O-CG 3.49Å; N87-Q102 PolarHBondContact O-N 2.95Å; N87-F105 HydrophobicContact CB-CD1 4.07Å; N87-F105 HydrophobicContact CB-CD2 3.87Å; N87-F105 HydrophobicContact CB-CE1 4.12Å; N87-F105 HydrophobicContact CB-CE2 3.87Å; N87-F105 HydrophobicContact CB-CG 3.98Å; N87-F105 HydrophobicContact CB-CZ 4.02Å; N87-F105 WeakPolarHBondContact ND2-CE1 3.13Å; N87-F105 WeakPolarHBondContact ND2-CZ 3.24Å
88	A	89.8	Confident	78.9	Confident	13 Å²	13	83.8 Å²	83.8	11%	0.107	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	156.7	170.9	0	0	0	0	0	110.9	C84 H85 T100 Q102 G109	C84-A88 HydrophobicContact CB-CB 4.17Å; H85-A88 HydrophobicContact CB-CB 4.14Å; H85-A88 WeakPolarHBondContact O-CB 3.3Å; H85-A88 PolarHBondContact O-N 3.29Å; A88-T100 CarbonylContact C-O 3.55Å; A88-T100 WeakPolarHBondContact CA-O 3.43Å; A88-T100 WeakPolarHBondContact CB-O 3.14Å; A88-Q102 PolarHBondContact O-NE2 3.36Å; A88-G109 VanDerWaalsContact CB-O 3.24Å; A88-G109 WeakPolarHBondContact CB-O 3.38Å
89	T	89.9	Confident	80.2	Confident	69 Å²	69	83.8 Å²	83.8	42%	0.423	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	133.7	168.8	-49	0	0	0	0	107.4	T100	T89-T100 PolarHBondContact N-O 3.16Å; T89-T100 PolarHBondContact O-N 2.94Å
90	C	87.6	Confident	81.4	Confident	40 Å²	40	77.5 Å²	77.5	27%	0.27	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	133.1	175	-166.9	0	0	0	0	110.5	C81 C84 T97	C81-C90 WeakPolarHBondContact CA-SG 3.01Å; C81-C90 HydrophobicContact CB-CB 3.67Å; C81-C90 WeakPolarHBondContact CB-SG 3.31Å; C81-C90 WeakPolarHBondContact SG-CB 3.42Å; C81-C90 CovalentContact SG-SG 2.03Å; C81-C90 PolarHBondContact SG-SG 2.9Å; C84-C90 VanDerWaalsContact SG-SG 3.7Å; C90-T97 WeakPolarHBondContact SG-CG2 3.34Å
91	T	85.8	Confident	82.2	Confident	62 Å²	62	70.4 Å²	70.4	38%	0.38	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	126	171.1	53.7	0	0	0	0	109.9	T98	T91-T98 PolarHBondContact N-O 3.35Å; T91-T98 PolarHBondContact O-N 3.47Å; T91-T98 PolarHBondContact OG1-O 3.49Å
92	E	79.7	Confident	82.9	Confident	127 Å²	127	72 Å²	72	59%	0.593	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106	103.8	178.8	-63.6	-175.6	162.4	0	0	110	C81	C81-E92 PolarHBondContact SG-OE1 3.11Å
93	D	71.2	Confident	83.3	Confident	126 Å²	126	75.9 Å²	75.9	67%	0.674	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	92.8	177.5	-83.4	-39.3	0	0	0	110.5	A95 V96	D93-A95 PolarHBondContact O-N 2.78Å; D93-V96 PolarHBondContact N-O 3.36Å; D93-V96 VanDerWaalsContact N-O 3.14Å; D93-V96 PolarHBondContact O-N 2.78Å; D93-V96 VanDerWaalsContact O-N 3.14Å
94	E	62.9	Low	83.4	Confident	213 Å²	213	71.9 Å²	71.9	100%	0.995	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	40.8	-3.7	173.7	-66.1	-154.6	155.3	0	0	120.8
95	A	66.1	Low	83.7	Confident	99 Å²	99	72.1 Å²	72.1	82%	0.818	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-167.7	-22.4	169.3	0	0	0	0	0	113	D93	D93-A95 PolarHBondContact O-N 2.78Å
96	V	67.9	Low	83.7	Confident	61 Å²	61	72.4 Å²	72.4	37%	0.37	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	123.3	-174.1	-175.4	0	0	0	0	110.2	D93	D93-V96 PolarHBondContact N-O 3.36Å; D93-V96 VanDerWaalsContact N-O 3.14Å; D93-V96 PolarHBondContact O-N 2.78Å; D93-V96 VanDerWaalsContact O-N 3.14Å
97	T	74.8	Confident	83.7	Confident	20 Å²	20	70.5 Å²	70.5	12%	0.123	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	109.2	171.5	-57.6	0	0	0	0	108.4	C90	C90-T97 WeakPolarHBondContact SG-CG2 3.34Å
98	T	82.4	Confident	83.4	Confident	63 Å²	63	72 Å²	72	39%	0.387	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	119.5	177.7	-50.5	0	0	0	0	109.6	T91 T100	T91-T98 PolarHBondContact N-O 3.35Å; T91-T98 PolarHBondContact O-N 3.47Å; T91-T98 PolarHBondContact OG1-O 3.49Å; T98-T100 HydrophobicContact CG2-CG2 4.03Å
99	C	87	Confident	83.1	Confident	12 Å²	12	71.3 Å²	71.3	8%	0.081	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	125.5	165.6	-52.8	0	0	0	0	108.3	A78 C84 G109	A78-C99 WeakPolarHBondContact CB-SG 3.4Å; C84-C99 WeakPolarHBondContact CA-SG 3.38Å; C84-C99 HydrophobicContact CB-CB 3.79Å; C84-C99 WeakPolarHBondContact CB-SG 3.5Å; C84-C99 WeakPolarHBondContact SG-CB 3.36Å; C84-C99 CovalentContact SG-SG 2.04Å; C84-C99 PolarHBondContact SG-SG 2.86Å; C99-G109 WeakPolarHBondContact CB-O 3.28Å
100	T	89.8	Confident	82.9	Confident	69 Å²	69	70.7 Å²	70.7	42%	0.423	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.7	170.8	53.4	0	0	0	0	109.1	A88 T89 T98 Q102	A88-T100 CarbonylContact C-O 3.55Å; A88-T100 WeakPolarHBondContact CA-O 3.43Å; A88-T100 WeakPolarHBondContact CB-O 3.14Å; T89-T100 PolarHBondContact N-O 3.16Å; T89-T100 PolarHBondContact O-N 2.94Å; T98-T100 HydrophobicContact CG2-CG2 4.03Å; T100-Q102 PolarHBondContact O-N 2.85Å
101	C	91.3	Very high	82.9	Confident	28 Å²	28	73.1 Å²	73.1	19%	0.189	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	140.9	175.7	-63.6	0	0	0	0	110.5	F105 C112	C101-F105 HydrophobicContact CB-CB 3.95Å; C101-C112 WeakPolarHBondContact CA-SG 3.26Å; C101-C112 HydrophobicContact CB-CB 3.87Å; C101-C112 WeakPolarHBondContact CB-SG 3.49Å; C101-C112 VanDerWaalsContact SG-CA 3.57Å; C101-C112 WeakPolarHBondContact SG-CB 3.38Å; C101-C112 CovalentContact SG-SG 2.04Å; C101-C112 PolarHBondContact SG-SG 2.79Å
102	Q	92	Very high	83.2	Confident	75 Å²	75	70.5 Å²	70.5	35%	0.35	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-63.4	160.1	175.1	-68.7	164.9	19.1	0	0	109.9	S86 N87 A88 T100 G104 F105	S86-Q102 PolarHBondContact O-NE2 2.89Å; N87-Q102 VanDerWaalsContact C-CD 3.44Å; N87-Q102 WeakPolarHBondContact O-CB 3.32Å; N87-Q102 WeakPolarHBondContact O-CG 3.49Å; N87-Q102 PolarHBondContact O-N 2.95Å; A88-Q102 PolarHBondContact O-NE2 3.36Å; T100-Q102 PolarHBondContact O-N 2.85Å; Q102-G104 PolarHBondContact O-N 2.89Å; Q102-F105 HydrophobicContact CB-CD2 4.25Å; Q102-F105 WeakPolarHBondContact O-CB 3.27Å; Q102-F105 PolarHBondContact O-N 3.02Å
103	E	89.1	Confident	83.8	Confident	191 Å²	191	68.9 Å²	68.9	89%	0.893	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	140.7	174.4	-64.4	-171.8	155.3	0	0	110.5	F105	E103-F105 VanDerWaalsContact C-N 3.33Å
104	G	86.9	Confident	84.8	Confident	14 Å²	14	65.5 Å²	65.5	14%	0.144	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	0.3	-170.9	0	0	0	0	0	115.3	Q102 L115	Q102-G104 PolarHBondContact O-N 2.89Å; G104-L115 WeakPolarHBondContact O-CB 3.43Å; G104-L115 PolarHBondContact O-N 2.61Å
105	F	91.4	Very high	86.2	Confident	29 Å²	29	58 Å²	58	13%	0.127	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	152.1	176	-63.8	-85.4	0	0	0	112.6	N87 C101 Q102 E103 C112 V113 D114	N87-F105 HydrophobicContact CB-CD1 4.07Å; N87-F105 HydrophobicContact CB-CD2 3.87Å; N87-F105 HydrophobicContact CB-CE1 4.12Å; N87-F105 HydrophobicContact CB-CE2 3.87Å; N87-F105 HydrophobicContact CB-CG 3.98Å; N87-F105 HydrophobicContact CB-CZ 4.02Å; N87-F105 WeakPolarHBondContact ND2-CE1 3.13Å; N87-F105 WeakPolarHBondContact ND2-CZ 3.24Å; C101-F105 HydrophobicContact CB-CB 3.95Å; Q102-F105 HydrophobicContact CB-CD2 4.25Å; Q102-F105 WeakPolarHBondContact O-CB 3.27Å; Q102-F105 PolarHBondContact O-N 3.02Å; E103-F105 VanDerWaalsContact C-N 3.33Å; F105-C112 HydrophobicContact CB-CB 4.08Å; F105-V113 WeakPolarHBondContact CA-O 3.16Å; F105-D114 HydrophobicContact CD1-CB 4.43Å; F105-D114 HydrophobicContact CE1-CB 4.19Å
106	T	89.9	Confident	87.4	Confident	70 Å²	70	56.6 Å²	56.6	43%	0.429	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	150.7	177.5	-165.7	0	0	0	0	111.8	C112 V113 L115	T106-C112 WeakPolarHBondContact O-CA 3.48Å; T106-V113 HydrophobicContact CG2-CG2 3.81Å; T106-V113 PolarHBondContact N-O 2.99Å; T106-V113 WeakPolarHBondContact O-CG2 3.48Å; T106-V113 PolarHBondContact O-N 3.05Å; T106-L115 HydrophobicContact CG2-CD1 3.93Å
107	G	90.1	Very high	88.6	Confident	55 Å²	55	54.5 Å²	54.5	57%	0.567	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	144.2	-161.3	-175.1	0	0	0	0	0	112.8	T111	G107-T111 WeakPolarHBondContact CA-O 3.22Å
108	D	86.8	Confident	89.4	Confident	75 Å²	75	55.3 Å²	55.3	40%	0.401	32%	0.321	S	S	.	.	S	Bend	trans	-99.8	10.6	-175.6	67.3	-13.9	0	0	0	113.6	L110 T111	D108-L110 PolarHBondContact O-N 2.98Å; D108-L110 VanDerWaalsContact O-N 3.1Å; D108-L110 PolarHBondContact OD1-N 3.02Å; D108-T111 PolarHBondContact N-O 3.02Å; D108-T111 WeakPolarHBondContact OD1-CA 3.24Å; D108-T111 PolarHBondContact OD1-N 2.84Å; D108-T111 PolarHBondContact OD1-OG1 2.93Å
109	G	83.4	Confident	89.7	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	79.4	-24.6	-178	0	0	0	0	0	114.7	H85 A88 C99	H85-G109 PolarHBondContact N-O 2.88Å; A88-G109 VanDerWaalsContact CB-O 3.24Å; A88-G109 WeakPolarHBondContact CB-O 3.38Å; C99-G109 WeakPolarHBondContact CB-O 3.28Å
110	L	84.8	Confident	89.8	Confident	56 Å²	56	58.7 Å²	58.7	29%	0.293	35%	0.345	S	S	.	.	S	Bend	trans	-85.1	-35.7	170.1	-66.3	174	0	0	0	111.1	A78 E83 H85 D108	A78-L110 HydrophobicContact CB-CD2 3.75Å; A78-L110 HydrophobicContact CB-CG 4.45Å; E83-L110 HydrophobicContact CB-CD2 4.03Å; E83-L110 WeakPolarHBondContact O-CD2 3.44Å; H85-L110 WeakPolarHBondContact CB-O 3.39Å; D108-L110 PolarHBondContact O-N 2.98Å; D108-L110 VanDerWaalsContact O-N 3.1Å; D108-L110 PolarHBondContact OD1-N 3.02Å
111	T	88.5	Confident	89.5	Confident	90 Å²	90	61.6 Å²	61.6	55%	0.552	37%	0.365	S	S	*	.	S	Bend	trans	-124.2	113.5	168.6	28.8	0	0	0	0	109.1	G107 D108	G107-T111 WeakPolarHBondContact CA-O 3.22Å; D108-T111 PolarHBondContact N-O 3.02Å; D108-T111 WeakPolarHBondContact OD1-CA 3.24Å; D108-T111 PolarHBondContact OD1-N 2.84Å; D108-T111 PolarHBondContact OD1-OG1 2.93Å
112	C	91.5	Very high	89.1	Confident	7 Å²	7	63.8 Å²	63.8	5%	0.047	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	115.7	174.5	-62.4	0	0	0	0	109.3	H85 C101 F105 T106	H85-C112 HydrophobicContact CB-CB 4.08Å; H85-C112 PolarHBondContact CE1-O 2.87Å; H85-C112 PolarHBondContact ND1-O 3.12Å; C101-C112 WeakPolarHBondContact CA-SG 3.26Å; C101-C112 HydrophobicContact CB-CB 3.87Å; C101-C112 WeakPolarHBondContact CB-SG 3.49Å; C101-C112 VanDerWaalsContact SG-CA 3.57Å; C101-C112 WeakPolarHBondContact SG-CB 3.38Å; C101-C112 CovalentContact SG-SG 2.04Å; C101-C112 PolarHBondContact SG-SG 2.79Å; F105-C112 HydrophobicContact CB-CB 4.08Å; T106-C112 WeakPolarHBondContact O-CA 3.48Å
113	V	91.6	Very high	88.8	Confident	94 Å²	94	62.3 Å²	62.3	57%	0.57	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	151.1	171.3	-63.1	0	0	0	0	109.9	F105 T106 L115	F105-V113 WeakPolarHBondContact CA-O 3.16Å; T106-V113 HydrophobicContact CG2-CG2 3.81Å; T106-V113 PolarHBondContact N-O 2.99Å; T106-V113 WeakPolarHBondContact O-CG2 3.48Å; T106-V113 PolarHBondContact O-N 3.05Å; V113-L115 PolarHBondContact O-N 2.89Å
114	D	92.8	Very high	88.6	Confident	55 Å²	55	56.3 Å²	56.3	29%	0.294	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	130.8	175.6	-163.5	40.9	0	0	0	110.7	F105 D116 N134 P136 G137	F105-D114 HydrophobicContact CD1-CB 4.43Å; F105-D114 HydrophobicContact CE1-CB 4.19Å; D114-D116 PolarHBondContact O-N 3.13Å; D114-N134 PolarHBondContact OD2-ND2 3.14Å; D114-P136 VanDerWaalsContact OD1-CA 3.29Å; D114-P136 WeakPolarHBondContact OD1-CA 3.48Å; D114-G137 PolarHBondContact OD1-N 3.32Å
115	L	91.8	Very high	88.5	Confident	55 Å²	55	62.3 Å²	62.3	29%	0.288	39%	0.394	S	S	.	.			trans	-88.4	102.1	178.2	-178.9	69.5	0	0	0	108.8	G104 T106 V113 E117 I120	G104-L115 WeakPolarHBondContact O-CB 3.43Å; G104-L115 PolarHBondContact O-N 2.61Å; T106-L115 HydrophobicContact CG2-CD1 3.93Å; V113-L115 PolarHBondContact O-N 2.89Å; L115-E117 HydrophobicContact CD2-CG 4.49Å; L115-E117 PolarHBondContact O-N 3.18Å; L115-I120 HydrophobicContact CD1-CD1 3.54Å; L115-I120 HydrophobicContact CG-CD1 4.09Å
116	D	92	Very high	88.2	Confident	69 Å²	69	61.7 Å²	61.7	37%	0.369	39%	0.393	S	S	.	.			trans	-67.2	92.2	177.6	-172.1	-21.3	0	0	0	111	D114 C118 A119	D114-D116 PolarHBondContact O-N 3.13Å; D116-C118 PolarHBondContact O-N 3.46Å; D116-C118 WeakPolarHBondContact OD1-CA 3.24Å; D116-C118 VanDerWaalsContact OD1-CB 3.23Å; D116-C118 WeakPolarHBondContact OD1-CB 3.39Å; D116-C118 PolarHBondContact OD1-N 2.72Å; D116-A119 HydrophobicContact CB-CB 4Å; D116-A119 PolarHBondContact O-N 2.86Å; D116-A119 VanDerWaalsContact O-N 3.17Å; D116-A119 PolarHBondContact OD1-N 2.98Å
117	E	92.9	Very high	87.9	Confident	18 Å²	18	60.3 Å²	60.3	8%	0.084	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-18.8	179.8	-55.3	104.3	162.7	0	0	112	L115 A119 I120 A123 H124 F139	L115-E117 HydrophobicContact CD2-CG 4.49Å; L115-E117 PolarHBondContact O-N 3.18Å; E117-A119 VanDerWaalsContact C-N 3.35Å; E117-I120 PolarHBondContact O-N 3.48Å; E117-A123 HydrophobicContact CB-CB 3.84Å; E117-A123 HydrophobicContact CG-CB 4.28Å; E117-H124 PolarHBondContact O-CD2 2.96Å; E117-F139 HydrophobicContact CB-CB 4.49Å; E117-F139 HydrophobicContact CB-CD1 3.81Å; E117-F139 HydrophobicContact CB-CG 4.43Å; E117-F139 HydrophobicContact CG-CD1 4.09Å; E117-F139 PolarHBondContact OE2-N 2.79Å
118	C	91.1	Very high	87.5	Confident	37 Å²	37	63.1 Å²	63.1	25%	0.25	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-26.5	174	-53.4	0	0	0	0	112.3	D116 C132 V133 N134	D116-C118 PolarHBondContact O-N 3.46Å; D116-C118 WeakPolarHBondContact OD1-CA 3.24Å; D116-C118 VanDerWaalsContact OD1-CB 3.23Å; D116-C118 WeakPolarHBondContact OD1-CB 3.39Å; D116-C118 PolarHBondContact OD1-N 2.72Å; C118-C132 WeakPolarHBondContact CA-SG 3.44Å; C118-C132 HydrophobicContact CB-CB 3.63Å; C118-C132 WeakPolarHBondContact CB-SG 3.48Å; C118-C132 WeakPolarHBondContact SG-CB 3.35Å; C118-C132 CovalentContact SG-SG 2.04Å; C118-C132 PolarHBondContact SG-SG 2.89Å; C118-V133 PolarHBondContact SG-N 2.84Å; C118-N134 PolarHBondContact SG-N 2.98Å; C118-N134 VanDerWaalsContact SG-N 3.42Å
119	A	90.1	Very high	87.4	Confident	71 Å²	71	63.1 Å²	63.1	59%	0.587	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-14.3	174.2	0	0	0	0	0	113.8	D116 E117	D116-A119 HydrophobicContact CB-CB 4Å; D116-A119 PolarHBondContact O-N 2.86Å; D116-A119 VanDerWaalsContact O-N 3.17Å; D116-A119 PolarHBondContact OD1-N 2.98Å; E117-A119 VanDerWaalsContact C-N 3.35Å
120	I	87.4	Confident	87.7	Confident	74 Å²	74	64 Å²	64	38%	0.379	41%	0.41	S	S	.	.	S	Bend	trans	-108.9	113.1	-172.8	-59.6	170.2	0	0	0	110.5	L115 E117 G122 A123	L115-I120 HydrophobicContact CD1-CD1 3.54Å; L115-I120 HydrophobicContact CG-CD1 4.09Å; E117-I120 PolarHBondContact O-N 3.48Å; I120-G122 PolarHBondContact O-N 2.98Å; I120-G122 VanDerWaalsContact O-N 3.08Å; I120-A123 HydrophobicContact CB-CB 3.76Å; I120-A123 HydrophobicContact CG2-CB 3.79Å; I120-A123 WeakPolarHBondContact O-CB 3.49Å; I120-A123 PolarHBondContact O-N 3.04Å
121	P	83.8	Confident	87.9	Confident	130 Å²	130	65 Å²	65	84%	0.844	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	116.3	-179.3	-26.7	35.4	0	0	0	113
122	G	83.1	Confident	88	Confident	75 Å²	75	62.2 Å²	62.2	77%	0.773	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	4.5	178.7	0	0	0	0	0	115.7	I120	I120-G122 PolarHBondContact O-N 2.98Å; I120-G122 VanDerWaalsContact O-N 3.08Å
123	A	85.1	Confident	88.1	Confident	44 Å²	44	65.1 Å²	65.1	36%	0.364	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-26.6	172.5	0	0	0	0	0	113.1	E117 I120	E117-A123 HydrophobicContact CB-CB 3.84Å; E117-A123 HydrophobicContact CG-CB 4.28Å; I120-A123 HydrophobicContact CB-CB 3.76Å; I120-A123 HydrophobicContact CG2-CB 3.79Å; I120-A123 WeakPolarHBondContact O-CB 3.49Å; I120-A123 PolarHBondContact O-N 3.04Å
124	H	84.9	Confident	88.1	Confident	65 Å²	65	62.9 Å²	62.9	30%	0.301	41%	0.408	S	S	.	.			trans	-100.1	155.3	174.4	70.3	74.7	0	0	0	112.6	E117 C126 F139	E117-H124 PolarHBondContact O-CD2 2.96Å; H124-C126 PolarHBondContact ND1-N 2.6Å; H124-F139 HydrophobicContact CB-CD1 4.12Å; H124-F139 HydrophobicContact CB-CD2 3.83Å; H124-F139 HydrophobicContact CB-CE1 4.09Å; H124-F139 HydrophobicContact CB-CE2 3.8Å; H124-F139 HydrophobicContact CB-CG 4Å; H124-F139 HydrophobicContact CB-CZ 3.95Å
125	N	85.9	Confident	88.1	Confident	139 Å²	139	62.7 Å²	62.7	74%	0.743	41%	0.409	S	S	*	.			trans	-106.1	10.5	175.5	70.7	1.8	0	0	0	114.2	F139	N125-F139 VanDerWaalsContact OD1-CE2 3.32Å; N125-F139 WeakPolarHBondContact OD1-CE2 3.34Å; N125-F139 WeakPolarHBondContact OD1-CZ 3.47Å
126	C	85.4	Confident	88.1	Confident	17 Å²	17	65.5 Å²	65.5	12%	0.115	43%	0.43	C	S	.	.			trans	-54.2	141	177.5	-60.2	0	0	0	0	113.4	H124 S130 F139 C141	H124-C126 PolarHBondContact ND1-N 2.6Å; C126-S130 WeakPolarHBondContact CB-OG 3.25Å; C126-F139 VanDerWaalsContact SG-CD2 3.58Å; C126-C141 WeakPolarHBondContact CA-SG 3.48Å; C126-C141 HydrophobicContact CB-CB 3.78Å; C126-C141 WeakPolarHBondContact CB-SG 3.4Å; C126-C141 VanDerWaalsContact SG-CA 3.52Å; C126-C141 WeakPolarHBondContact SG-CB 3.25Å; C126-C141 CovalentContact SG-SG 2.04Å; C126-C141 PolarHBondContact SG-SG 2.87Å
127	S	83.8	Confident	88	Confident	41 Å²	41	63.1 Å²	63.1	29%	0.287	42%	0.422	S	S	.	.			trans	-65.9	150.5	176.9	-179.1	0	0	0	0	111.4	N129 S130	S127-N129 VanDerWaalsContact CB-OD1 3.32Å; S127-N129 WeakPolarHBondContact CB-OD1 3.5Å; S127-N129 PolarHBondContact O-N 2.7Å; S127-N129 PolarHBondContact OG-OD1 3.15Å; S127-S130 PolarHBondContact N-OG 3.19Å; S127-S130 PolarHBondContact O-N 3.39Å; S127-S130 PolarHBondContact O-OG 3.47Å
128	A	81.1	Confident	87.9	Confident	114 Å²	114	65 Å²	65	94%	0.942	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-12.8	178.3	0	0	0	0	0	114.6
129	N	84.4	Confident	87.9	Confident	74 Å²	74	65.4 Å²	65.4	40%	0.396	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	14.1	173.7	68.7	-14.9	0	0	0	114.1	S127 C155	S127-N129 VanDerWaalsContact CB-OD1 3.32Å; S127-N129 WeakPolarHBondContact CB-OD1 3.5Å; S127-N129 PolarHBondContact O-N 2.7Å; S127-N129 PolarHBondContact OG-OD1 3.15Å; N129-C155 PolarHBondContact ND2-O 2.71Å; N129-C155 PolarHBondContact O-SG 3.43Å; N129-C155 VanDerWaalsContact O-SG 3.37Å; N129-C155 PolarHBondContact OD1-N 3.43Å
130	S	88.8	Confident	87.9	Confident	18 Å²	18	64 Å²	64	13%	0.126	42%	0.421	C	S	.	.	S	Bend	trans	-120.5	152.9	174.1	61.9	0	0	0	0	111	C126 S127 V142 C155	C126-S130 WeakPolarHBondContact CB-OG 3.25Å; S127-S130 PolarHBondContact N-OG 3.19Å; S127-S130 PolarHBondContact O-N 3.39Å; S127-S130 PolarHBondContact O-OG 3.47Å; S130-V142 WeakPolarHBondContact CA-O 3.19Å; S130-C155 WeakPolarHBondContact CB-SG 3.26Å
131	S	90	Very high	88.1	Confident	78 Å²	78	61.8 Å²	61.8	55%	0.545	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	131.1	171.2	-61.4	0	0	0	0	109.9	V142	S131-V142 PolarHBondContact N-O 2.87Å; S131-V142 PolarHBondContact O-N 3.37Å
132	C	90.8	Very high	88.4	Confident	32 Å²	32	59 Å²	59	22%	0.216	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	129.3	170.2	-171.5	0	0	0	0	109.1	C118	C118-C132 WeakPolarHBondContact CA-SG 3.44Å; C118-C132 HydrophobicContact CB-CB 3.63Å; C118-C132 WeakPolarHBondContact CB-SG 3.48Å; C118-C132 WeakPolarHBondContact SG-CB 3.35Å; C118-C132 CovalentContact SG-SG 2.04Å; C118-C132 PolarHBondContact SG-SG 2.89Å
133	V	92.9	Very high	88.8	Confident	68 Å²	68	56.6 Å²	56.6	41%	0.412	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	114.9	174.3	178.1	0	0	0	0	108.1	C118 S140 V142	C118-V133 PolarHBondContact SG-N 2.84Å; V133-S140 PolarHBondContact N-O 2.81Å; V133-S140 PolarHBondContact O-N 3.23Å; V133-S140 PolarHBondContact O-OG 2.84Å; V133-S140 VanDerWaalsContact O-OG 3.1Å; V133-V142 HydrophobicContact CB-CG2 4.18Å; V133-V142 HydrophobicContact CG2-CB 4.28Å; V133-V142 HydrophobicContact CG2-CG2 3.72Å
134	N	92.8	Very high	89	Confident	47 Å²	47	57.7 Å²	57.7	25%	0.251	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	143.5	-179.8	-170	41.9	0	0	0	111.5	D114 C118 S138	D114-N134 PolarHBondContact OD2-ND2 3.14Å; C118-N134 PolarHBondContact SG-N 2.98Å; C118-N134 VanDerWaalsContact SG-N 3.42Å; N134-S138 PolarHBondContact OD1-O 3.22Å
135	T	91.9	Very high	89.3	Confident	50 Å²	50	63.6 Å²	63.6	31%	0.307	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	154	179.1	57	0	0	0	0	110.2	G137 S138	T135-G137 PolarHBondContact O-N 2.8Å; T135-S138 CarbonylContact C-O 3.52Å; T135-S138 VanDerWaalsContact CA-O 3.32Å; T135-S138 WeakPolarHBondContact CA-O 3.36Å; T135-S138 WeakPolarHBondContact CB-O 3.45Å; T135-S138 PolarHBondContact N-O 2.79Å; T135-S138 CarbonylContact O-C 3.5Å; T135-S138 PolarHBondContact O-N 2.96Å; T135-S138 VanDerWaalsContact OG1-C 3.27Å; T135-S138 PolarHBondContact OG1-O 2.98Å
136	P	92	Very high	89.4	Confident	114 Å²	114	58 Å²	58	74%	0.74	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	107.3	-178.4	-28.4	37.1	0	0	0	113.4	D114	D114-P136 VanDerWaalsContact OD1-CA 3.29Å; D114-P136 WeakPolarHBondContact OD1-CA 3.48Å
137	G	89.5	Confident	89.7	Confident	20 Å²	20	60 Å²	60	21%	0.206	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	10.8	-179.6	0	0	0	0	0	116	D114 T135	D114-G137 PolarHBondContact OD1-N 3.32Å; T135-G137 PolarHBondContact O-N 2.8Å
138	S	92.2	Very high	90	Very high	58 Å²	58	63.4 Å²	63.4	41%	0.406	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.4	180	176.3	-147.4	0	0	0	0	112.9	N134 T135	N134-S138 PolarHBondContact OD1-O 3.22Å; T135-S138 CarbonylContact C-O 3.52Å; T135-S138 VanDerWaalsContact CA-O 3.32Å; T135-S138 WeakPolarHBondContact CA-O 3.36Å; T135-S138 WeakPolarHBondContact CB-O 3.45Å; T135-S138 PolarHBondContact N-O 2.79Å; T135-S138 CarbonylContact O-C 3.5Å; T135-S138 PolarHBondContact O-N 2.96Å; T135-S138 VanDerWaalsContact OG1-C 3.27Å; T135-S138 PolarHBondContact OG1-O 2.98Å
139	F	91.1	Very high	90.4	Very high	44 Å²	44	62.3 Å²	62.3	19%	0.193	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	156.5	169.5	63.5	-84.7	0	0	0	112.2	E117 H124 N125 C126	E117-F139 HydrophobicContact CB-CB 4.49Å; E117-F139 HydrophobicContact CB-CD1 3.81Å; E117-F139 HydrophobicContact CB-CG 4.43Å; E117-F139 HydrophobicContact CG-CD1 4.09Å; E117-F139 PolarHBondContact OE2-N 2.79Å; H124-F139 HydrophobicContact CB-CD1 4.12Å; H124-F139 HydrophobicContact CB-CD2 3.83Å; H124-F139 HydrophobicContact CB-CE1 4.09Å; H124-F139 HydrophobicContact CB-CE2 3.8Å; H124-F139 HydrophobicContact CB-CG 4Å; H124-F139 HydrophobicContact CB-CZ 3.95Å; N125-F139 VanDerWaalsContact OD1-CE2 3.32Å; N125-F139 WeakPolarHBondContact OD1-CE2 3.34Å; N125-F139 WeakPolarHBondContact OD1-CZ 3.47Å; C126-F139 VanDerWaalsContact SG-CD2 3.58Å
140	S	89.6	Confident	90.5	Very high	43 Å²	43	60 Å²	60	30%	0.301	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.8	171.1	63.8	0	0	0	0	110.7	V133	V133-S140 PolarHBondContact N-O 2.81Å; V133-S140 PolarHBondContact O-N 3.23Å; V133-S140 PolarHBondContact O-OG 2.84Å; V133-S140 VanDerWaalsContact O-OG 3.1Å
141	C	90.2	Very high	90.1	Very high	27 Å²	27	65.4 Å²	65.4	18%	0.182	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	107.5	177.2	-51.2	0	0	0	0	109.3	C126 L149	C126-C141 WeakPolarHBondContact CA-SG 3.48Å; C126-C141 HydrophobicContact CB-CB 3.78Å; C126-C141 WeakPolarHBondContact CB-SG 3.4Å; C126-C141 VanDerWaalsContact SG-CA 3.52Å; C126-C141 WeakPolarHBondContact SG-CB 3.25Å; C126-C141 CovalentContact SG-SG 2.04Å; C126-C141 PolarHBondContact SG-SG 2.87Å; C141-L149 HydrophobicContact CB-CD1 4.33Å; C141-L149 HydrophobicContact CB-CD2 4.23Å
142	V	90.8	Very high	89.5	Confident	72 Å²	72	66 Å²	66	44%	0.436	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.4	-177	-176.7	0	0	0	0	109.7	S130 S131 V133	S130-V142 WeakPolarHBondContact CA-O 3.19Å; S131-V142 PolarHBondContact N-O 2.87Å; S131-V142 PolarHBondContact O-N 3.37Å; V133-V142 HydrophobicContact CB-CG2 4.18Å; V133-V142 HydrophobicContact CG2-CB 4.28Å; V133-V142 HydrophobicContact CG2-CG2 3.72Å
143	C	92.2	Very high	88.9	Confident	24 Å²	24	70.8 Å²	70.8	16%	0.162	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-83.1	154	173.6	-69	0	0	0	0	111.5	F147 R148 C155	C143-F147 HydrophobicContact CB-CB 3.88Å; C143-F147 WeakPolarHBondContact CB-O 3.13Å; C143-R148 VanDerWaalsContact SG-C 3.59Å; C143-C155 WeakPolarHBondContact CA-SG 3.14Å; C143-C155 HydrophobicContact CB-CB 3.83Å; C143-C155 WeakPolarHBondContact CB-SG 3.48Å; C143-C155 WeakPolarHBondContact SG-CA 3.28Å; C143-C155 WeakPolarHBondContact SG-CB 3.48Å; C143-C155 CovalentContact SG-SG 2.03Å; C143-C155 PolarHBondContact SG-SG 2.82Å
144	P	89.4	Confident	88.6	Confident	67 Å²	67	68 Å²	68	44%	0.435	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-57.2	158.3	168.1	-20.9	32.9	0	0	0	111.8	F147	P144-F147 HydrophobicContact CB-CD2 4.03Å; P144-F147 HydrophobicContact CG-CD2 4.49Å; P144-F147 WeakPolarHBondContact O-CB 3.27Å; P144-F147 PolarHBondContact O-N 2.87Å; P144-F147 VanDerWaalsContact O-N 3.08Å
145	E	89.5	Confident	88.5	Confident	189 Å²	189	66.1 Å²	66.1	88%	0.883	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	141.6	171.4	-64.8	-169	162	0	0	110.8	F147	E145-F147 VanDerWaalsContact C-N 3.34Å; E145-F147 WeakPolarHBondContact O-CD2 3.49Å
146	G	88.9	Confident	88.5	Confident	21 Å²	21	65.6 Å²	65.6	22%	0.216	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	-1.6	-170.6	0	0	0	0	0	115.1	V158	G146-V158 PolarHBondContact O-N 2.9Å
147	F	91.6	Very high	88.6	Confident	59 Å²	59	62.3 Å²	62.3	26%	0.259	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	146	-179.2	-61.5	-99.1	0	0	0	112.7	C143 P144 E145 C155 T156 D157 V179 G180	C143-F147 HydrophobicContact CB-CB 3.88Å; C143-F147 WeakPolarHBondContact CB-O 3.13Å; P144-F147 HydrophobicContact CB-CD2 4.03Å; P144-F147 HydrophobicContact CG-CD2 4.49Å; P144-F147 WeakPolarHBondContact O-CB 3.27Å; P144-F147 PolarHBondContact O-N 2.87Å; P144-F147 VanDerWaalsContact O-N 3.08Å; E145-F147 VanDerWaalsContact C-N 3.34Å; E145-F147 WeakPolarHBondContact O-CD2 3.49Å; F147-C155 HydrophobicContact CB-CB 4.06Å; F147-T156 CarbonylContact C-O 3.43Å; F147-T156 WeakPolarHBondContact CA-O 3.47Å; F147-D157 HydrophobicContact CE1-CB 4.41Å; F147-V179 HydrophobicContact CE1-CG1 4.13Å; F147-V179 HydrophobicContact CZ-CG1 3.79Å; F147-G180 VanDerWaalsContact CE2-CA 3.42Å
148	R	90.6	Very high	88.8	Confident	112 Å²	112	62.4 Å²	62.4	42%	0.423	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	152.3	171.7	65.6	174	166.1	-140.1	-15	112.1	C143 S150 C155 T156 V158 E163	C143-R148 VanDerWaalsContact SG-C 3.59Å; R148-S150 PolarHBondContact O-N 3.5Å; R148-C155 WeakPolarHBondContact O-CA 3.23Å; R148-T156 PolarHBondContact N-O 2.93Å; R148-T156 PolarHBondContact O-N 2.97Å; R148-T156 PolarHBondContact O-OG1 3.46Å; R148-V158 HydrophobicContact CB-CG2 3.86Å; R148-V158 HydrophobicContact CG-CG2 3.88Å; R148-E163 IonicContact CZ-OE1 3.06Å; R148-E163 VanDerWaalsContact NH1-CD 3.27Å; R148-E163 IonicContact NH1-OE1 2.71Å; R148-E163 PolarHBondContact NH1-OE1 2.97Å; R148-E163 IonicContact NH1-OE2 3.03Å; R148-E163 PolarHBondContact NH1-OE2 3.08Å; R148-E163 IonicContact NH2-OE1 2.67Å; R148-E163 PolarHBondContact NH2-OE1 3.35Å
149	L	88.7	Confident	88.9	Confident	92 Å²	92	62.2 Å²	62.2	48%	0.482	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	113.6	177.7	-166.3	72.3	0	0	0	110.3	C141	C141-L149 HydrophobicContact CB-CD1 4.33Å; C141-L149 HydrophobicContact CB-CD2 4.23Å
150	S	86.1	Confident	89.1	Confident	26 Å²	26	61.1 Å²	61.1	18%	0.182	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128	176.4	-78.8	0	0	0	0	111.2	R148 G152 L153 G154 T156	R148-S150 PolarHBondContact O-N 3.5Å; S150-G152 PolarHBondContact O-N 2.72Å; S150-L153 PolarHBondContact O-N 3.21Å; S150-L153 VanDerWaalsContact O-N 3.08Å; S150-G154 PolarHBondContact N-O 2.78Å; S150-G154 PolarHBondContact O-N 3.42Å; S150-G154 VanDerWaalsContact O-N 3.12Å; S150-T156 PolarHBondContact OG-OG1 3.2Å
151	P	81.6	Confident	89.3	Confident	130 Å²	130	61.1 Å²	61.1	84%	0.844	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	122.5	-180	-27.6	35.2	0	0	0	112.8	L153	P151-L153 PolarHBondContact O-N 2.86Å
152	G	76.4	Confident	89.4	Confident	90 Å²	90	63.2 Å²	63.2	93%	0.928	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	-4.9	179.4	0	0	0	0	0	116.3	S150	S150-G152 PolarHBondContact O-N 2.72Å
153	L	79.4	Confident	89.3	Confident	134 Å²	134	62.5 Å²	62.5	70%	0.702	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	-10.2	179.6	-70.3	169.3	0	0	0	113.6	S150 P151 T156	S150-L153 PolarHBondContact O-N 3.21Å; S150-L153 VanDerWaalsContact O-N 3.08Å; P151-L153 PolarHBondContact O-N 2.86Å; L153-T156 HydrophobicContact CB-CG2 4.15Å
154	G	86.2	Confident	88.9	Confident	9 Å²	9	67.7 Å²	67.7	9%	0.093	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	77.7	-149.5	-178.3	0	0	0	0	0	111.9	S150 T156	S150-G154 PolarHBondContact N-O 2.78Å; S150-G154 PolarHBondContact O-N 3.42Å; S150-G154 VanDerWaalsContact O-N 3.12Å; G154-T156 PolarHBondContact O-N 3.42Å
155	C	90.9	Very high	88.6	Confident	8 Å²	8	67.2 Å²	67.2	5%	0.054	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	120.8	176.2	-62.2	0	0	0	0	110.7	N129 S130 C143 F147 R148	N129-C155 PolarHBondContact ND2-O 2.71Å; N129-C155 PolarHBondContact O-SG 3.43Å; N129-C155 VanDerWaalsContact O-SG 3.37Å; N129-C155 PolarHBondContact OD1-N 3.43Å; S130-C155 WeakPolarHBondContact CB-SG 3.26Å; C143-C155 WeakPolarHBondContact CA-SG 3.14Å; C143-C155 HydrophobicContact CB-CB 3.83Å; C143-C155 WeakPolarHBondContact CB-SG 3.48Å; C143-C155 WeakPolarHBondContact SG-CA 3.28Å; C143-C155 WeakPolarHBondContact SG-CB 3.48Å; C143-C155 CovalentContact SG-SG 2.03Å; C143-C155 PolarHBondContact SG-SG 2.82Å; F147-C155 HydrophobicContact CB-CB 4.06Å; R148-C155 WeakPolarHBondContact O-CA 3.23Å
156	T	91.8	Very high	88.6	Confident	39 Å²	39	61.9 Å²	61.9	24%	0.239	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	142.4	174.2	52.5	0	0	0	0	109.6	F147 R148 S150 L153 G154	F147-T156 CarbonylContact C-O 3.43Å; F147-T156 WeakPolarHBondContact CA-O 3.47Å; R148-T156 PolarHBondContact N-O 2.93Å; R148-T156 PolarHBondContact O-N 2.97Å; R148-T156 PolarHBondContact O-OG1 3.46Å; S150-T156 PolarHBondContact OG-OG1 3.2Å; L153-T156 HydrophobicContact CB-CG2 4.15Å; G154-T156 PolarHBondContact O-N 3.42Å
157	D	93.6	Very high	88.6	Confident	45 Å²	45	62.7 Å²	62.7	24%	0.241	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-45.8	137.2	171.4	-162.4	60.2	0	0	0	111.9	F147 N177 V179 G180	F147-D157 HydrophobicContact CE1-CB 4.41Å; D157-N177 PolarHBondContact OD2-ND2 2.84Å; D157-N177 PolarHBondContact OD2-OD1 2.97Å; D157-V179 WeakPolarHBondContact OD1-CA 3.25Å; D157-G180 PolarHBondContact OD1-N 3.11Å
158	V	93.9	Very high	88.6	Confident	22 Å²	22	66.3 Å²	66.3	13%	0.133	41%	0.409	C	S	.	.			trans	-94.1	117.8	169.1	178	0	0	0	0	107.1	G146 R148 E160 L166	G146-V158 PolarHBondContact O-N 2.9Å; R148-V158 HydrophobicContact CB-CG2 3.86Å; R148-V158 HydrophobicContact CG-CG2 3.88Å; V158-E160 HydrophobicContact CG1-CG 4.28Å; V158-E160 VanDerWaalsContact O-CD 3.28Å; V158-E160 PolarHBondContact O-N 2.8Å; V158-E160 VanDerWaalsContact O-N 3.17Å; V158-E160 VanDerWaalsContact O-OE2 3.11Å; V158-L166 HydrophobicContact CG1-CD1 3.82Å
159	D	94.3	Very high	88.7	Confident	54 Å²	54	62.2 Å²	62.2	29%	0.289	40%	0.398	S	S	.	.			trans	-83.8	92.2	176.6	-169.7	-36.7	0	0	0	109.5	C161 A162 E163 N177	D159-C161 PolarHBondContact O-N 3.24Å; D159-C161 WeakPolarHBondContact OD1-CA 3.36Å; D159-C161 WeakPolarHBondContact OD1-CB 3.17Å; D159-C161 PolarHBondContact OD1-N 3.41Å; D159-C161 VanDerWaalsContact OD1-N 3.08Å; D159-A162 HydrophobicContact CB-CB 3.91Å; D159-A162 PolarHBondContact O-N 3.12Å; D159-A162 VanDerWaalsContact O-N 3.15Å; D159-A162 PolarHBondContact OD1-N 3.31Å; D159-E163 PolarHBondContact O-N 3.11Å; D159-E163 VanDerWaalsContact O-N 3.08Å; D159-N177 WeakPolarHBondContact CB-ND2 3.37Å; D159-N177 VanDerWaalsContact CG-ND2 3.28Å; D159-N177 PolarHBondContact OD2-ND2 2.05Å
160	E	94.8	Very high	88.8	Confident	21 Å²	21	60.5 Å²	60.5	10%	0.098	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-12.4	-178.6	-51	95.7	152.9	0	0	113	V158 L166 S167 Y182	V158-E160 HydrophobicContact CG1-CG 4.28Å; V158-E160 VanDerWaalsContact O-CD 3.28Å; V158-E160 PolarHBondContact O-N 2.8Å; V158-E160 VanDerWaalsContact O-N 3.17Å; V158-E160 VanDerWaalsContact O-OE2 3.11Å; E160-L166 HydrophobicContact CB-CB 3.75Å; E160-L166 HydrophobicContact CG-CB 4.04Å; E160-S167 WeakPolarHBondContact O-CB 3.37Å; E160-S167 PolarHBondContact O-N 2.99Å; E160-S167 VanDerWaalsContact O-N 3.16Å; E160-S167 PolarHBondContact O-OG 3.07Å; E160-Y182 HydrophobicContact CB-CD1 3.5Å; E160-Y182 HydrophobicContact CB-CE1 3.73Å; E160-Y182 HydrophobicContact CB-CG 4.12Å; E160-Y182 VanDerWaalsContact CD-CD1 3.41Å; E160-Y182 HydrophobicContact CG-CD1 3.68Å; E160-Y182 HydrophobicContact CG-CE1 3.88Å; E160-Y182 WeakPolarHBondContact OE2-CD1 3.39Å
161	C	93.9	Very high	88.9	Confident	42 Å²	42	64.3 Å²	64.3	28%	0.284	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-30.8	173.3	-55	0	0	0	0	112.3	D159 C175 V176 N177	D159-C161 PolarHBondContact O-N 3.24Å; D159-C161 WeakPolarHBondContact OD1-CA 3.36Å; D159-C161 WeakPolarHBondContact OD1-CB 3.17Å; D159-C161 PolarHBondContact OD1-N 3.41Å; D159-C161 VanDerWaalsContact OD1-N 3.08Å; C161-C175 WeakPolarHBondContact CA-SG 3.43Å; C161-C175 HydrophobicContact CB-CB 3.72Å; C161-C175 WeakPolarHBondContact CB-SG 3.34Å; C161-C175 WeakPolarHBondContact SG-CB 3.19Å; C161-C175 CovalentContact SG-SG 2.04Å; C161-C175 PolarHBondContact SG-SG 2.89Å; C161-V176 VanDerWaalsContact SG-C 3.56Å; C161-V176 PolarHBondContact SG-N 3.06Å; C161-V176 VanDerWaalsContact SG-N 3.4Å; C161-N177 PolarHBondContact SG-N 2.91Å
162	A	92.4	Very high	89.1	Confident	71 Å²	71	61.5 Å²	61.5	59%	0.587	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-25.5	175.9	0	0	0	0	0	113.2	D159 P164	D159-A162 HydrophobicContact CB-CB 3.91Å; D159-A162 PolarHBondContact O-N 3.12Å; D159-A162 VanDerWaalsContact O-N 3.15Å; D159-A162 PolarHBondContact OD1-N 3.31Å; A162-P164 WeakPolarHBondContact O-CD 3.3Å
163	E	89.6	Confident	89.9	Confident	57 Å²	57	58 Å²	58	27%	0.266	36%	0.359	S	S	.	.	S	Bend	trans	-97.9	113	-176.3	-72.8	-177.8	-136.9	0	0	112.4	R148 D159 G165 L166	R148-E163 IonicContact CZ-OE1 3.06Å; R148-E163 VanDerWaalsContact NH1-CD 3.27Å; R148-E163 IonicContact NH1-OE1 2.71Å; R148-E163 PolarHBondContact NH1-OE1 2.97Å; R148-E163 IonicContact NH1-OE2 3.03Å; R148-E163 PolarHBondContact NH1-OE2 3.08Å; R148-E163 IonicContact NH2-OE1 2.67Å; R148-E163 PolarHBondContact NH2-OE1 3.35Å; D159-E163 PolarHBondContact O-N 3.11Å; D159-E163 VanDerWaalsContact O-N 3.08Å; E163-G165 PolarHBondContact O-N 3.43Å; E163-L166 HydrophobicContact CB-CD1 3.75Å; E163-L166 HydrophobicContact CB-CG 4.16Å; E163-L166 PolarHBondContact O-N 3.2Å
164	P	83.6	Confident	90.6	Very high	134 Å²	134	55.8 Å²	55.8	87%	0.87	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	124.9	-173	-25.7	34.8	0	0	0	113.5	A162	A162-P164 WeakPolarHBondContact O-CD 3.3Å
165	G	83.6	Confident	91	Very high	57 Å²	57	56.9 Å²	56.9	59%	0.588	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.3	-2.8	175.9	0	0	0	0	0	115.5	E163 H168	E163-G165 PolarHBondContact O-N 3.43Å; G165-H168 PolarHBondContact O-CE1 3.43Å; G165-H168 VanDerWaalsContact O-CE1 3.26Å
166	L	88.6	Confident	91.2	Very high	76 Å²	76	59.7 Å²	59.7	40%	0.398	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-30.6	171.5	-61.2	-171.2	0	0	0	112.7	V158 E160 E163 Y182	V158-L166 HydrophobicContact CG1-CD1 3.82Å; E160-L166 HydrophobicContact CB-CB 3.75Å; E160-L166 HydrophobicContact CG-CB 4.04Å; E163-L166 HydrophobicContact CB-CD1 3.75Å; E163-L166 HydrophobicContact CB-CG 4.16Å; E163-L166 PolarHBondContact O-N 3.2Å; L166-Y182 PolarHBondContact O-OH 2.89Å
167	S	89.4	Confident	91.4	Very high	38 Å²	38	60 Å²	60	27%	0.266	37%	0.374	S	S	.	.			trans	-82.2	129.1	169.4	38.9	0	0	0	0	111.9	E160 Y182	E160-S167 WeakPolarHBondContact O-CB 3.37Å; E160-S167 PolarHBondContact O-N 2.99Å; E160-S167 VanDerWaalsContact O-N 3.16Å; E160-S167 PolarHBondContact O-OG 3.07Å; S167-Y182 WeakPolarHBondContact CA-OH 3.2Å
168	H	91.3	Very high	91.4	Very high	136 Å²	136	60.3 Å²	60.3	63%	0.63	38%	0.378	S	S	*	.			trans	-111.9	22.4	175.2	-48.3	-43.3	0	0	0	113	G165 Y182 W195	G165-H168 PolarHBondContact O-CE1 3.43Å; G165-H168 VanDerWaalsContact O-CE1 3.26Å; H168-Y182 PolarHBondContact N-OH 3.27Å; H168-W195 HydrophobicContact CB-CE3 4.39Å; H168-W195 HydrophobicContact CB-CZ3 3.85Å; H168-W195 VanDerWaalsContact O-CE3 3.31Å
169	C	93.1	Very high	91.4	Very high	26 Å²	26	65.4 Å²	65.4	18%	0.176	41%	0.409	C	S	.	.			trans	-53.9	155	177.3	-64.1	0	0	0	0	112.5	A173 C184	C169-A173 HydrophobicContact CB-CB 4.26Å; C169-C184 WeakPolarHBondContact CA-SG 3.05Å; C169-C184 HydrophobicContact CB-CB 3.7Å; C169-C184 WeakPolarHBondContact CB-SG 3.42Å; C169-C184 WeakPolarHBondContact SG-CB 3.45Å; C169-C184 CovalentContact SG-SG 2.04Å; C169-C184 PolarHBondContact SG-SG 3.32Å
170	H	90.7	Very high	91.2	Very high	56 Å²	56	63.9 Å²	63.9	26%	0.259	41%	0.405	S	S	.	.			trans	-54.1	145.1	171.6	-164.9	-108.1	0	0	0	110.5	L172 A173 G194 W195	H170-L172 PolarHBondContact ND1-N 2.88Å; H170-L172 PolarHBondContact O-N 2.84Å; H170-A173 HydrophobicContact CB-CB 3.97Å; H170-A173 WeakPolarHBondContact O-CB 3.47Å; H170-A173 PolarHBondContact O-N 2.86Å; H170-G194 VanDerWaalsContact CB-O 3.25Å; H170-G194 WeakPolarHBondContact CB-O 3.42Å; H170-G194 PolarHBondContact N-O 3.1Å; H170-W195 WeakPolarHBondContact CB-O 3.45Å; H170-W195 PolarHBondContact CD2-O 3.03Å
171	A	87.4	Confident	91.1	Very high	105 Å²	105	65.7 Å²	65.7	87%	0.868	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-17.7	-177.3	0	0	0	0	0	114.8
172	L	87.3	Confident	91.1	Very high	72 Å²	72	64.9 Å²	64.9	38%	0.377	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-16.1	174.5	-59.5	177.1	0	0	0	113.8	H170 P187 Y190	H170-L172 PolarHBondContact ND1-N 2.88Å; H170-L172 PolarHBondContact O-N 2.84Å; L172-P187 HydrophobicContact CB-CG 4.23Å; L172-P187 WeakPolarHBondContact O-CD 3.42Å; L172-P187 VanDerWaalsContact O-CG 3.3Å; L172-P187 WeakPolarHBondContact O-CG 3.33Å; L172-Y190 HydrophobicContact CD1-CD1 4.07Å; L172-Y190 HydrophobicContact CD1-CE1 3.5Å; L172-Y190 VanDerWaalsContact CD1-CE1 3.5Å
173	A	92.1	Very high	91.2	Very high	16 Å²	16	66.3 Å²	66.3	13%	0.132	41%	0.409	C	S	.	.	S	Bend	trans	-80.5	145.1	-175.2	0	0	0	0	0	111.8	C169 H170 C184 V185 G194	C169-A173 HydrophobicContact CB-CB 4.26Å; H170-A173 HydrophobicContact CB-CB 3.97Å; H170-A173 WeakPolarHBondContact O-CB 3.47Å; H170-A173 PolarHBondContact O-N 2.86Å; A173-C184 HydrophobicContact CB-CB 4.27Å; A173-V185 CarbonylContact C-O 3.56Å; A173-V185 WeakPolarHBondContact CA-O 3.06Å; A173-G194 WeakPolarHBondContact CB-O 3.35Å
174	T	93.9	Very high	91.5	Very high	87 Å²	87	64.2 Å²	64.2	53%	0.534	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	123.8	170.8	-56.3	0	0	0	0	109.1	V176 V185	T174-V176 HydrophobicContact CG2-CG2 4.47Å; T174-V185 PolarHBondContact N-O 3.12Å; T174-V185 PolarHBondContact O-N 3.09Å
175	C	95.3	Very high	92	Very high	33 Å²	33	61.5 Å²	61.5	22%	0.223	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	132.6	170.2	-169.7	0	0	0	0	109.7	C161	C161-C175 WeakPolarHBondContact CA-SG 3.43Å; C161-C175 HydrophobicContact CB-CB 3.72Å; C161-C175 WeakPolarHBondContact CB-SG 3.34Å; C161-C175 WeakPolarHBondContact SG-CB 3.19Å; C161-C175 CovalentContact SG-SG 2.04Å; C161-C175 PolarHBondContact SG-SG 2.89Å
176	V	95.2	Very high	92.5	Very high	66 Å²	66	59.9 Å²	59.9	40%	0.4	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	110.5	175.9	-177.8	0	0	0	0	108.3	C161 T174 L183 V185	C161-V176 VanDerWaalsContact SG-C 3.56Å; C161-V176 PolarHBondContact SG-N 3.06Å; C161-V176 VanDerWaalsContact SG-N 3.4Å; T174-V176 HydrophobicContact CG2-CG2 4.47Å; V176-L183 PolarHBondContact N-O 3.04Å; V176-L183 PolarHBondContact O-N 3.05Å; V176-V185 HydrophobicContact CG2-CG2 4.09Å
177	N	94.9	Very high	92.6	Very high	45 Å²	45	58.1 Å²	58.1	24%	0.241	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	138.6	175.8	-176.5	24.7	0	0	0	110.4	D157 D159 C161 S181	D157-N177 PolarHBondContact OD2-ND2 2.84Å; D157-N177 PolarHBondContact OD2-OD1 2.97Å; D159-N177 WeakPolarHBondContact CB-ND2 3.37Å; D159-N177 VanDerWaalsContact CG-ND2 3.28Å; D159-N177 PolarHBondContact OD2-ND2 2.05Å; C161-N177 PolarHBondContact SG-N 2.91Å; N177-S181 PolarHBondContact OD1-O 2.82Å
178	V	94.8	Very high	92.6	Very high	52 Å²	52	61.1 Å²	61.1	32%	0.315	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	152.1	175.7	-64.7	0	0	0	0	109.4	G180 S181 L183	V178-G180 PolarHBondContact O-N 3.17Å; V178-S181 CarbonylContact C-O 3.51Å; V178-S181 WeakPolarHBondContact CG2-O 3.2Å; V178-S181 PolarHBondContact N-O 2.88Å; V178-S181 CarbonylContact O-C 3.58Å; V178-S181 PolarHBondContact O-N 3.3Å; V178-L183 HydrophobicContact CG1-CD1 3.98Å; V178-L183 HydrophobicContact CG1-CG 4.19Å; V178-L183 HydrophobicContact CG2-CG 4.18Å
179	V	92.8	Very high	92.3	Very high	130 Å²	130	55.7 Å²	55.7	79%	0.788	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	111.1	-173.3	178	0	0	0	0	111.9	F147 D157	F147-V179 HydrophobicContact CE1-CG1 4.13Å; F147-V179 HydrophobicContact CZ-CG1 3.79Å; D157-V179 WeakPolarHBondContact OD1-CA 3.25Å
180	G	90.5	Very high	92.2	Very high	21 Å²	21	56.2 Å²	56.2	22%	0.216	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	6.9	-177.8	0	0	0	0	0	116.9	F147 D157 V178	F147-G180 VanDerWaalsContact CE2-CA 3.42Å; D157-G180 PolarHBondContact OD1-N 3.11Å; V178-G180 PolarHBondContact O-N 3.17Å
181	S	93	Very high	92.1	Very high	60 Å²	60	63.2 Å²	63.2	42%	0.42	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.4	-170.2	176.8	-154.1	0	0	0	0	112.9	N177 V178	N177-S181 PolarHBondContact OD1-O 2.82Å; V178-S181 CarbonylContact C-O 3.51Å; V178-S181 WeakPolarHBondContact CG2-O 3.2Å; V178-S181 PolarHBondContact N-O 2.88Å; V178-S181 CarbonylContact O-C 3.58Å; V178-S181 PolarHBondContact O-N 3.3Å
182	Y	94.5	Very high	92.2	Very high	25 Å²	25	60.7 Å²	60.7	10%	0.098	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	154.4	170.3	62.3	-78	0	0	0	112.4	E160 L166 S167 H168 W195	E160-Y182 HydrophobicContact CB-CD1 3.5Å; E160-Y182 HydrophobicContact CB-CE1 3.73Å; E160-Y182 HydrophobicContact CB-CG 4.12Å; E160-Y182 VanDerWaalsContact CD-CD1 3.41Å; E160-Y182 HydrophobicContact CG-CD1 3.68Å; E160-Y182 HydrophobicContact CG-CE1 3.88Å; E160-Y182 WeakPolarHBondContact OE2-CD1 3.39Å; L166-Y182 PolarHBondContact O-OH 2.89Å; S167-Y182 WeakPolarHBondContact CA-OH 3.2Å; H168-Y182 PolarHBondContact N-OH 3.27Å; Y182-W195 HydrophobicContact CD2-CH2 4.22Å; Y182-W195 HydrophobicContact CE1-CH2 4.46Å; Y182-W195 AromaticContact CE2-CH2 3.3Å; Y182-W195 HydrophobicContact CE2-CH2 3.3Å; Y182-W195 HydrophobicContact CE2-CZ2 4.24Å; Y182-W195 AromaticContact CE2-CZ3 3.68Å; Y182-W195 HydrophobicContact CE2-CZ3 3.68Å; Y182-W195 AromaticContact CZ-CH2 3.48Å; Y182-W195 VanDerWaalsContact CZ-CH2 3.48Å; Y182-W195 AromaticContact CZ-CZ3 3.95Å; Y182-W195 WeakPolarHBondContact OH-CH2 3.22Å
183	L	94.1	Very high	92.4	Very high	100 Å²	100	62 Å²	62	52%	0.524	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.7	174	-63.5	176.8	0	0	0	109.7	V176 V178	V176-L183 PolarHBondContact N-O 3.04Å; V176-L183 PolarHBondContact O-N 3.05Å; V178-L183 HydrophobicContact CG1-CD1 3.98Å; V178-L183 HydrophobicContact CG1-CG 4.19Å; V178-L183 HydrophobicContact CG2-CG 4.18Å
184	C	95.9	Very high	92.2	Very high	14 Å²	14	61.2 Å²	61.2	10%	0.095	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128.3	171.9	-53.9	0	0	0	0	109.1	C169 A173 G194	C169-C184 WeakPolarHBondContact CA-SG 3.05Å; C169-C184 HydrophobicContact CB-CB 3.7Å; C169-C184 WeakPolarHBondContact CB-SG 3.42Å; C169-C184 WeakPolarHBondContact SG-CB 3.45Å; C169-C184 CovalentContact SG-SG 2.04Å; C169-C184 PolarHBondContact SG-SG 3.32Å; A173-C184 HydrophobicContact CB-CB 4.27Å; C184-G194 VanDerWaalsContact CB-C 3.4Å; C184-G194 VanDerWaalsContact CB-O 3.25Å; C184-G194 WeakPolarHBondContact CB-O 3.02Å; C184-G194 WeakPolarHBondContact O-CA 3.34Å
185	V	94.8	Very high	92.1	Very high	76 Å²	76	62.7 Å²	62.7	46%	0.461	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	118	-178.6	-176.2	0	0	0	0	109.7	A173 T174 V176	A173-V185 CarbonylContact C-O 3.56Å; A173-V185 WeakPolarHBondContact CA-O 3.06Å; T174-V185 PolarHBondContact N-O 3.12Å; T174-V185 PolarHBondContact O-N 3.09Å; V176-V185 HydrophobicContact CG2-CG2 4.09Å
186	C	93.3	Very high	91.8	Very high	23 Å²	23	66.1 Å²	66.1	16%	0.155	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-61.9	141.1	174.3	-64.9	0	0	0	0	111.1	H196 C197	C186-H196 PolarHBondContact SG-O 3.4Å; C186-C197 WeakPolarHBondContact CA-SG 3.47Å; C186-C197 HydrophobicContact CB-CB 3.9Å; C186-C197 WeakPolarHBondContact CB-SG 3.38Å; C186-C197 VanDerWaalsContact SG-CA 3.57Å; C186-C197 WeakPolarHBondContact SG-CB 3.45Å; C186-C197 CovalentContact SG-SG 2.04Å; C186-C197 PolarHBondContact SG-SG 3.31Å
187	P	90.2	Very high	91.7	Very high	40 Å²	40	63.3 Å²	63.3	26%	0.26	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-70.9	163.7	-178.7	29.8	-33.5	0	0	0	111.1	L172 G189 Y190	L172-P187 HydrophobicContact CB-CG 4.23Å; L172-P187 WeakPolarHBondContact O-CD 3.42Å; L172-P187 VanDerWaalsContact O-CG 3.3Å; L172-P187 WeakPolarHBondContact O-CG 3.33Å; P187-G189 PolarHBondContact O-N 2.81Å; P187-Y190 HydrophobicContact CG-CD2 3.68Å; P187-Y190 HydrophobicContact CG-CE2 4.2Å; P187-Y190 HydrophobicContact CG-CG 4.17Å; P187-Y190 PolarHBondContact O-N 2.94Å
188	A	88.8	Confident	91.5	Very high	101 Å²	101	66.3 Å²	66.3	84%	0.835	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	126	-177.8	0	0	0	0	0	111.9
189	G	86.1	Confident	91.4	Very high	21 Å²	21	64.1 Å²	64.1	22%	0.216	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	-5	-178.4	0	0	0	0	0	115.8	P187 S203	P187-G189 PolarHBondContact O-N 2.81Å; G189-S203 WeakPolarHBondContact CA-O 3.48Å; G189-S203 WeakPolarHBondContact O-CB 3.34Å; G189-S203 PolarHBondContact O-OG 2.9Å
190	Y	90.4	Very high	91.1	Very high	38 Å²	38	60.9 Å²	60.9	15%	0.149	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	153.1	166.6	-65.7	-104.1	0	0	0	110.5	L172 P187 C197 E198 C199 V218 C219	L172-Y190 HydrophobicContact CD1-CD1 4.07Å; L172-Y190 HydrophobicContact CD1-CE1 3.5Å; L172-Y190 VanDerWaalsContact CD1-CE1 3.5Å; P187-Y190 HydrophobicContact CG-CD2 3.68Å; P187-Y190 HydrophobicContact CG-CE2 4.2Å; P187-Y190 HydrophobicContact CG-CG 4.17Å; P187-Y190 PolarHBondContact O-N 2.94Å; Y190-C197 HydrophobicContact CD1-CB 4.46Å; Y190-E198 CarbonylContact C-O 3.43Å; Y190-E198 WeakPolarHBondContact CA-O 3.4Å; Y190-C199 HydrophobicContact CD1-CB 4.01Å; Y190-C199 HydrophobicContact CE1-CB 4.04Å; Y190-C199 HydrophobicContact CG-CB 4.43Å; Y190-V218 WeakPolarHBondContact OH-CA 3.26Å; Y190-C219 HydrophobicContact CE2-CB 3.87Å; Y190-C219 PolarHBondContact OH-N 2.94Å
191	R	89.5	Confident	90.8	Very high	203 Å²	203	64.7 Å²	64.7	77%	0.766	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	147	178.7	-169.9	177.6	-177.5	-141.5	-2.9	109.5	E198	R191-E198 PolarHBondContact N-O 3.44Å; R191-E198 PolarHBondContact O-N 3.45Å
192	G	89.6	Confident	90.3	Very high	51 Å²	51	64.5 Å²	64.5	53%	0.526	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	155.7	-162.9	178.6	0	0	0	0	0	110.9	H196	G192-H196 WeakPolarHBondContact CA-O 3.34Å
193	D	89.9	Confident	90	Very high	100 Å²	100	65.4 Å²	65.4	54%	0.535	38%	0.382	S	S	.	.	S	Bend	trans	-99.8	0.7	178.4	63.6	-3.5	0	0	0	113.1	W195 H196	D193-W195 VanDerWaalsContact C-N 3.29Å; D193-W195 PolarHBondContact O-N 3Å; D193-W195 PolarHBondContact OD1-N 3.05Å; D193-H196 PolarHBondContact N-O 3.06Å; D193-H196 PolarHBondContact OD1-N 3.07Å
194	G	89.7	Confident	89.8	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	36%	0.363	C	S	.	.	S	Bend	trans	89.2	-18.4	-177.5	0	0	0	0	0	114.3	H170 A173 C184 H196	H170-G194 VanDerWaalsContact CB-O 3.25Å; H170-G194 WeakPolarHBondContact CB-O 3.42Å; H170-G194 PolarHBondContact N-O 3.1Å; A173-G194 WeakPolarHBondContact CB-O 3.35Å; C184-G194 VanDerWaalsContact CB-C 3.4Å; C184-G194 VanDerWaalsContact CB-O 3.25Å; C184-G194 WeakPolarHBondContact CB-O 3.02Å; C184-G194 WeakPolarHBondContact O-CA 3.34Å; G194-H196 PolarHBondContact N-O 2.66Å
195	W	90.6	Very high	89.3	Confident	117 Å²	117	62.3 Å²	62.3	44%	0.443	37%	0.374	S	S	.	.	S	Bend	trans	-86.2	-32.1	167.8	-50.9	100.6	0	0	0	110.5	H168 H170 Y182 D193	H168-W195 HydrophobicContact CB-CE3 4.39Å; H168-W195 HydrophobicContact CB-CZ3 3.85Å; H168-W195 VanDerWaalsContact O-CE3 3.31Å; H170-W195 WeakPolarHBondContact CB-O 3.45Å; H170-W195 PolarHBondContact CD2-O 3.03Å; Y182-W195 HydrophobicContact CD2-CH2 4.22Å; Y182-W195 HydrophobicContact CE1-CH2 4.46Å; Y182-W195 AromaticContact CE2-CH2 3.3Å; Y182-W195 HydrophobicContact CE2-CH2 3.3Å; Y182-W195 HydrophobicContact CE2-CZ2 4.24Å; Y182-W195 AromaticContact CE2-CZ3 3.68Å; Y182-W195 HydrophobicContact CE2-CZ3 3.68Å; Y182-W195 AromaticContact CZ-CH2 3.48Å; Y182-W195 VanDerWaalsContact CZ-CH2 3.48Å; Y182-W195 AromaticContact CZ-CZ3 3.95Å; Y182-W195 WeakPolarHBondContact OH-CH2 3.22Å; D193-W195 VanDerWaalsContact C-N 3.29Å; D193-W195 PolarHBondContact O-N 3Å; D193-W195 PolarHBondContact OD1-N 3.05Å
196	H	90.3	Very high	88.8	Confident	105 Å²	105	65.5 Å²	65.5	49%	0.486	40%	0.396	S	S	.	.	S	Bend	trans	-120.7	137.4	164.3	-172.6	61.7	0	0	0	109.5	C186 G192 D193 G194	C186-H196 PolarHBondContact SG-O 3.4Å; G192-H196 WeakPolarHBondContact CA-O 3.34Å; D193-H196 PolarHBondContact N-O 3.06Å; D193-H196 PolarHBondContact OD1-N 3.07Å; G194-H196 PolarHBondContact N-O 2.66Å
197	C	91.3	Very high	88.4	Confident	7 Å²	7	65.2 Å²	65.2	5%	0.047	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	116.6	174.8	-62.8	0	0	0	0	110.3	C186 Y190	C186-C197 WeakPolarHBondContact CA-SG 3.47Å; C186-C197 HydrophobicContact CB-CB 3.9Å; C186-C197 WeakPolarHBondContact CB-SG 3.38Å; C186-C197 VanDerWaalsContact SG-CA 3.57Å; C186-C197 WeakPolarHBondContact SG-CB 3.45Å; C186-C197 CovalentContact SG-SG 2.04Å; C186-C197 PolarHBondContact SG-SG 3.31Å; Y190-C197 HydrophobicContact CD1-CB 4.46Å
198	E	91.3	Very high	88.5	Confident	108 Å²	108	66.5 Å²	66.5	51%	0.505	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	148.4	178.1	55.6	171.7	-170.3	0	0	110.9	Y190 R191	Y190-E198 CarbonylContact C-O 3.43Å; Y190-E198 WeakPolarHBondContact CA-O 3.4Å; R191-E198 PolarHBondContact N-O 3.44Å; R191-E198 PolarHBondContact O-N 3.45Å
199	C	92.1	Very high	88.7	Confident	6 Å²	6	61.9 Å²	61.9	4%	0.041	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	169.8	167.6	64.3	0	0	0	0	111	Y190 C210 L217 V218	Y190-C199 HydrophobicContact CD1-CB 4.01Å; Y190-C199 HydrophobicContact CE1-CB 4.04Å; Y190-C199 HydrophobicContact CG-CB 4.43Å; C199-C210 VanDerWaalsContact CA-SG 3.59Å; C199-C210 HydrophobicContact CB-CB 3.74Å; C199-C210 WeakPolarHBondContact CB-SG 3.38Å; C199-C210 PolarHBondContact O-SG 3.23Å; C199-C210 VanDerWaalsContact SG-CA 3.53Å; C199-C210 WeakPolarHBondContact SG-CB 3.34Å; C199-C210 CovalentContact SG-SG 2.04Å; C199-C210 PolarHBondContact SG-SG 3.33Å; C199-L217 VanDerWaalsContact SG-C 3.59Å; C199-V218 VanDerWaalsContact SG-C 3.52Å
200	S	87.9	Confident	89	Confident	62 Å²	62	61.4 Å²	61.4	43%	0.434	36%	0.356	S	S	.	.			trans	-140.5	158.7	171.8	59.2	0	0	0	0	110.1	G202 S203 C210	S200-G202 PolarHBondContact O-N 2.89Å; S200-G202 VanDerWaalsContact O-N 3.16Å; S200-S203 PolarHBondContact N-OG 3.33Å; S200-S203 WeakPolarHBondContact O-CB 3.22Å; S200-S203 PolarHBondContact O-N 2.94Å; S200-S203 PolarHBondContact O-OG 2.88Å; S200-S203 WeakPolarHBondContact OG-CB 3.42Å; S200-S203 PolarHBondContact OG-OG 2.69Å; S200-C210 VanDerWaalsContact C-CB 3.42Å; S200-C210 PolarHBondContact N-SG 2.87Å; S200-C210 VanDerWaalsContact N-SG 3.39Å; S200-C210 VanDerWaalsContact O-CB 3.31Å; S200-C210 WeakPolarHBondContact O-CB 3.32Å
201	P	83.6	Confident	89	Confident	102 Å²	102	59.8 Å²	59.8	66%	0.662	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	123.4	-179.4	-28.7	36.4	0	0	0	112.2	D209	P201-D209 WeakPolarHBondContact CA-OD1 3.5Å
202	G	82.9	Confident	88.8	Confident	56 Å²	56	54.3 Å²	54.3	58%	0.577	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	7.5	-176.3	0	0	0	0	0	116.8	S200 D209	S200-G202 PolarHBondContact O-N 2.89Å; S200-G202 VanDerWaalsContact O-N 3.16Å; G202-D209 PolarHBondContact N-OD1 3Å
203	S	88.9	Confident	88.5	Confident	44 Å²	44	58.3 Å²	58.3	31%	0.308	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-23.2	170.2	69	0	0	0	0	113.4	G189 S200	G189-S203 WeakPolarHBondContact CA-O 3.48Å; G189-S203 WeakPolarHBondContact O-CB 3.34Å; G189-S203 PolarHBondContact O-OG 2.9Å; S200-S203 PolarHBondContact N-OG 3.33Å; S200-S203 WeakPolarHBondContact O-CB 3.22Å; S200-S203 PolarHBondContact O-N 2.94Å; S200-S203 PolarHBondContact O-OG 2.88Å; S200-S203 WeakPolarHBondContact OG-CB 3.42Å; S200-S203 PolarHBondContact OG-OG 2.69Å
204	C	89.1	Confident	88	Confident	17 Å²	17	57.1 Å²	57.1	12%	0.115	36%	0.357	C	S	.	.	S	Bend	trans	-68.7	164.8	-177	-57.8	0	0	0	0	113.5	L208 C210 C219	C204-L208 HydrophobicContact CB-CB 3.84Å; C204-C210 PolarHBondContact SG-N 3.49Å; C204-C210 VanDerWaalsContact SG-N 3.42Å; C204-C219 VanDerWaalsContact CA-SG 3.58Å; C204-C219 HydrophobicContact CB-CB 3.71Å; C204-C219 WeakPolarHBondContact CB-SG 3.35Å; C204-C219 WeakPolarHBondContact SG-CA 3.46Å; C204-C219 WeakPolarHBondContact SG-CB 3.24Å; C204-C219 CovalentContact SG-SG 2.04Å; C204-C219 PolarHBondContact SG-SG 3.12Å
205	G	85.1	Confident	87.5	Confident	32 Å²	32	66 Å²	66	33%	0.33	40%	0.404	S	S	.	.	S	Bend	trans	-65.8	174.7	-178.7	0	0	0	0	0	114.5	G207 L208	G205-G207 PolarHBondContact O-N 3.43Å; G205-G207 VanDerWaalsContact O-N 3.17Å; G205-L208 WeakPolarHBondContact O-CB 3.31Å; G205-L208 PolarHBondContact O-N 2.86Å
206	P	85	Confident	87.1	Confident	142 Å²	142	63 Å²	63	92%	0.922	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	120.9	-175	-27	35	0	0	0	113.4	L208	P206-L208 VanDerWaalsContact C-N 3.27Å; P206-L208 PolarHBondContact O-N 3.04Å
207	G	85.3	Confident	86.9	Confident	18 Å²	18	62 Å²	62	19%	0.186	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	0.6	179.4	0	0	0	0	0	115.7	G205 K314	G205-G207 PolarHBondContact O-N 3.43Å; G205-G207 VanDerWaalsContact O-N 3.17Å; G207-K314 PolarHBondContact O-NZ 2.03Å
208	L	91.4	Very high	86.8	Confident	67 Å²	67	62.8 Å²	62.8	35%	0.351	41%	0.407	S	S	.	.			trans	-102.2	156	172.9	-55.4	177.9	0	0	0	110.1	C204 G205 P206 A220 D221 I291	C204-L208 HydrophobicContact CB-CB 3.84Å; G205-L208 WeakPolarHBondContact O-CB 3.31Å; G205-L208 PolarHBondContact O-N 2.86Å; P206-L208 VanDerWaalsContact C-N 3.27Å; P206-L208 PolarHBondContact O-N 3.04Å; L208-A220 WeakPolarHBondContact CA-O 3.46Å; L208-D221 HydrophobicContact CD2-CB 4.03Å; L208-I291 WeakPolarHBondContact O-CD1 3.4Å
209	D	92.8	Very high	86.8	Confident	4 Å²	4	59 Å²	59	2%	0.021	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	165.5	169.8	-163.3	21	0	0	0	111.1	P201 G202 V211 C219 A220 P222 W251 I291	P201-D209 WeakPolarHBondContact CA-OD1 3.5Å; G202-D209 PolarHBondContact N-OD1 3Å; D209-V211 PolarHBondContact O-N 3.05Å; D209-C219 WeakPolarHBondContact O-CA 3.47Å; D209-A220 PolarHBondContact N-O 3.3Å; D209-A220 PolarHBondContact O-N 2.79Å; D209-P222 HydrophobicContact CB-CG 3.96Å; D209-W251 HydrophobicContact CB-CZ2 4.2Å; D209-W251 PolarHBondContact OD2-NE1 3.27Å; D209-I291 HydrophobicContact CB-CD1 4.04Å
210	C	91.6	Very high	86.8	Confident	11 Å²	11	60 Å²	60	7%	0.074	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	106.1	179.8	-173.2	0	0	0	0	110.2	C199 S200 C204 V218	C199-C210 VanDerWaalsContact CA-SG 3.59Å; C199-C210 HydrophobicContact CB-CB 3.74Å; C199-C210 WeakPolarHBondContact CB-SG 3.38Å; C199-C210 PolarHBondContact O-SG 3.23Å; C199-C210 VanDerWaalsContact SG-CA 3.53Å; C199-C210 WeakPolarHBondContact SG-CB 3.34Å; C199-C210 CovalentContact SG-SG 2.04Å; C199-C210 PolarHBondContact SG-SG 3.33Å; S200-C210 VanDerWaalsContact C-CB 3.42Å; S200-C210 PolarHBondContact N-SG 2.87Å; S200-C210 VanDerWaalsContact N-SG 3.39Å; S200-C210 VanDerWaalsContact O-CB 3.31Å; S200-C210 WeakPolarHBondContact O-CB 3.32Å; C204-C210 PolarHBondContact SG-N 3.49Å; C204-C210 VanDerWaalsContact SG-N 3.42Å; C210-V218 WeakPolarHBondContact CA-O 3.45Å
211	V	90.3	Very high	87	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.024	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	152.5	-172	-60	0	0	0	0	111.7	D209 L217 V218 A220 A225	D209-V211 PolarHBondContact O-N 3.05Å; V211-L217 WeakPolarHBondContact O-CA 3.31Å; V211-V218 HydrophobicContact CG2-CG2 4.18Å; V211-V218 PolarHBondContact N-O 3.42Å; V211-V218 PolarHBondContact O-N 2.89Å; V211-A220 HydrophobicContact CG2-CB 3.7Å; V211-A225 HydrophobicContact CB-CB 4.38Å; V211-A225 HydrophobicContact CG2-CB 3.72Å
212	P	85.9	Confident	87.5	Confident	87 Å²	87	54.7 Å²	54.7	57%	0.565	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	125.8	177.9	30	-33.8	0	0	0	112.1	A216 L217	P212-A216 WeakPolarHBondContact CA-O 3.49Å; P212-L217 HydrophobicContact CB-CD2 4.33Å
213	E	82.6	Confident	88	Confident	135 Å²	135	52.3 Å²	52.3	63%	0.631	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	103.1	170	-174	171.6	-154.8	0	0	108.8	D215 A216 V218	E213-D215 PolarHBondContact O-N 2.81Å; E213-A216 PolarHBondContact N-O 2.79Å; E213-A216 PolarHBondContact O-N 3.37Å; E213-A216 VanDerWaalsContact O-N 3.16Å; E213-V218 HydrophobicContact CB-CG2 3.69Å
214	G	81.1	Confident	88.1	Confident	75 Å²	75	57.7 Å²	57.7	77%	0.773	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	-128	-168.8	0	0	0	0	0	111.6
215	D	78.3	Confident	88.2	Confident	186 Å²	186	58.5 Å²	58.5	100%	0.995	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-0.5	176	-62.9	-45.3	0	0	0	113.3	E213	E213-D215 PolarHBondContact O-N 2.81Å
216	A	81.8	Confident	88.5	Confident	54 Å²	54	59.4 Å²	59.4	45%	0.446	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	159	-175.7	0	0	0	0	0	112.8	P212 E213	P212-A216 WeakPolarHBondContact CA-O 3.49Å; E213-A216 PolarHBondContact N-O 2.79Å; E213-A216 PolarHBondContact O-N 3.37Å; E213-A216 VanDerWaalsContact O-N 3.16Å
217	L	86.8	Confident	88.9	Confident	85 Å²	85	59.9 Å²	59.9	45%	0.445	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.9	171.2	-76.7	175.3	0	0	0	109.7	C199 V211 P212	C199-L217 VanDerWaalsContact SG-C 3.59Å; V211-L217 WeakPolarHBondContact O-CA 3.31Å; P212-L217 HydrophobicContact CB-CD2 4.33Å
218	V	89.7	Confident	89.3	Confident	24 Å²	24	63.1 Å²	63.1	15%	0.145	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	145.8	-177.2	-65.4	0	0	0	0	111.8	Y190 C199 C210 V211 E213 A220	Y190-V218 WeakPolarHBondContact OH-CA 3.26Å; C199-V218 VanDerWaalsContact SG-C 3.52Å; C210-V218 WeakPolarHBondContact CA-O 3.45Å; V211-V218 HydrophobicContact CG2-CG2 4.18Å; V211-V218 PolarHBondContact N-O 3.42Å; V211-V218 PolarHBondContact O-N 2.89Å; E213-V218 HydrophobicContact CB-CG2 3.69Å; V218-A220 HydrophobicContact CG2-CB 4.42Å; V218-A220 PolarHBondContact O-N 3.16Å
219	C	91.3	Very high	89.4	Confident	27 Å²	27	60.5 Å²	60.5	18%	0.182	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	104.1	167.6	-72.9	0	0	0	0	110	Y190 C204 D209	Y190-C219 HydrophobicContact CE2-CB 3.87Å; Y190-C219 PolarHBondContact OH-N 2.94Å; C204-C219 VanDerWaalsContact CA-SG 3.58Å; C204-C219 HydrophobicContact CB-CB 3.71Å; C204-C219 WeakPolarHBondContact CB-SG 3.35Å; C204-C219 WeakPolarHBondContact SG-CA 3.46Å; C204-C219 WeakPolarHBondContact SG-CB 3.24Å; C204-C219 CovalentContact SG-SG 2.04Å; C204-C219 PolarHBondContact SG-SG 3.12Å; D209-C219 WeakPolarHBondContact O-CA 3.47Å
220	A	92	Very high	89.2	Confident	29 Å²	29	65.5 Å²	65.5	24%	0.24	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	173.2	177	0	0	0	0	0	111.5	L208 D209 V211 V218 P222 A225	L208-A220 WeakPolarHBondContact CA-O 3.46Å; D209-A220 PolarHBondContact N-O 3.3Å; D209-A220 PolarHBondContact O-N 2.79Å; V211-A220 HydrophobicContact CG2-CB 3.7Å; V218-A220 HydrophobicContact CG2-CB 4.42Å; V218-A220 PolarHBondContact O-N 3.16Å; A220-P222 WeakPolarHBondContact O-CD 3.48Å; A220-A225 HydrophobicContact CB-CB 4.37Å
221	D	92.4	Very high	89	Confident	51 Å²	51	67.1 Å²	67.1	27%	0.273	38%	0.38	S	S	.	.			trans	-81.3	119.7	174.8	-169.1	-34.9	0	0	0	109.9	L208 C223 Q224 A225 K314	L208-D221 HydrophobicContact CD2-CB 4.03Å; D221-C223 PolarHBondContact O-N 2.82Å; D221-C223 VanDerWaalsContact O-N 3.11Å; D221-C223 WeakPolarHBondContact OD1-CB 3.46Å; D221-C223 PolarHBondContact OD1-N 2.77Å; D221-C223 PolarHBondContact OD1-SG 2.91Å; D221-C223 VanDerWaalsContact OD1-SG 3.41Å; D221-Q224 HydrophobicContact CB-CG 4.43Å; D221-Q224 PolarHBondContact O-N 3.48Å; D221-A225 PolarHBondContact O-N 2.69Å; D221-K314 IonicContact OD1-NZ 3.52Å; D221-K314 PolarHBondContact OD1-NZ 2.7Å; D221-K314 IonicContact OD2-NZ 2.78Å; D221-K314 PolarHBondContact OD2-NZ 3.38Å
222	P	93.9	Very high	88.5	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-25.4	175.5	-28.5	38.4	0	0	0	114.6	D209 A220 Q224 A225 H226 W251 I291 V322	D209-P222 HydrophobicContact CB-CG 3.96Å; A220-P222 WeakPolarHBondContact O-CD 3.48Å; P222-Q224 PolarHBondContact O-N 3.21Å; P222-A225 CarbonylContact O-C 3.55Å; P222-A225 PolarHBondContact O-N 3.38Å; P222-H226 WeakPolarHBondContact O-CB 3.4Å; P222-H226 PolarHBondContact O-ND1 2.71Å; P222-W251 HydrophobicContact CB-CB 4.25Å; P222-W251 HydrophobicContact CB-CD2 3.46Å; P222-W251 VanDerWaalsContact CB-CD2 3.46Å; P222-W251 HydrophobicContact CB-CE3 3.66Å; P222-W251 HydrophobicContact CB-CG 3.73Å; P222-W251 HydrophobicContact CB-CZ2 4.35Å; P222-W251 HydrophobicContact CB-CZ3 4.2Å; P222-W251 HydrophobicContact CG-CD2 3.78Å; P222-W251 HydrophobicContact CG-CE3 4.25Å; P222-W251 HydrophobicContact CG-CG 4.15Å; P222-W251 HydrophobicContact CG-CH2 4.35Å; P222-W251 HydrophobicContact CG-CZ2 3.88Å; P222-I291 HydrophobicContact CG-CD1 4.38Å; P222-V322 HydrophobicContact CB-CG2 3.84Å
223	C	92.3	Very high	88.6	Confident	7 Å²	7	69.1 Å²	69.1	5%	0.047	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.4	173.2	-61	0	0	0	0	113	D221 H226 C316 Y320	D221-C223 PolarHBondContact O-N 2.82Å; D221-C223 VanDerWaalsContact O-N 3.11Å; D221-C223 WeakPolarHBondContact OD1-CB 3.46Å; D221-C223 PolarHBondContact OD1-N 2.77Å; D221-C223 PolarHBondContact OD1-SG 2.91Å; D221-C223 VanDerWaalsContact OD1-SG 3.41Å; C223-H226 PolarHBondContact O-CE1 2.93Å; C223-H226 PolarHBondContact O-ND1 3.35Å; C223-C316 VanDerWaalsContact CA-SG 3.58Å; C223-C316 HydrophobicContact CB-CB 3.73Å; C223-C316 WeakPolarHBondContact CB-SG 3.41Å; C223-C316 VanDerWaalsContact SG-CA 3.51Å; C223-C316 WeakPolarHBondContact SG-CB 3.49Å; C223-C316 CovalentContact SG-SG 2.03Å; C223-C316 PolarHBondContact SG-SG 2.03Å; C223-Y320 PolarHBondContact O-OH 3.37Å; C223-Y320 VanDerWaalsContact O-OH 3.08Å
224	Q	91	Very high	89	Confident	156 Å²	156	62.9 Å²	62.9	73%	0.729	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-32.6	173.6	-56.3	-55.9	-51.3	0	0	112	D221 P222	D221-Q224 HydrophobicContact CB-CG 4.43Å; D221-Q224 PolarHBondContact O-N 3.48Å; P222-Q224 PolarHBondContact O-N 3.21Å
225	A	91.4	Very high	89.5	Confident	35 Å²	35	59.3 Å²	59.3	29%	0.289	31%	0.31	S	S	.	.	S	Bend	trans	-111.1	80	-177.4	0	0	0	0	0	111.9	V211 A220 D221 P222	V211-A225 HydrophobicContact CB-CB 4.38Å; V211-A225 HydrophobicContact CG2-CB 3.72Å; A220-A225 HydrophobicContact CB-CB 4.37Å; D221-A225 PolarHBondContact O-N 2.69Å; P222-A225 CarbonylContact O-C 3.55Å; P222-A225 PolarHBondContact O-N 3.38Å
226	H	92.3	Very high	89.9	Confident	51 Å²	51	52.1 Å²	52.1	24%	0.236	27%	0.273	C	S	.	.			trans	-144.1	163.7	177.8	58.9	-88.1	0	0	0	111.8	P222 C223 W251 R253 V322	P222-H226 WeakPolarHBondContact O-CB 3.4Å; P222-H226 PolarHBondContact O-ND1 2.71Å; C223-H226 PolarHBondContact O-CE1 2.93Å; C223-H226 PolarHBondContact O-ND1 3.35Å; H226-W251 WeakPolarHBondContact CA-O 3.01Å; H226-W251 HydrophobicContact CB-CB 4.16Å; H226-R253 WeakPolarHBondContact CD2-CB 3.39Å; H226-R253 WeakPolarHBondContact NE2-CD 3.5Å; H226-V322 HydrophobicContact CB-CG1 4.34Å
227	R	92.9	Very high	90	Very high	152 Å²	152	55.5 Å²	55.5	57%	0.574	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	150	170.7	-64.4	176.2	-178.7	174.1	0.1	110.5	W251 Y252 R253	R227-W251 PolarHBondContact N-O 3.33Å; R227-Y252 HydrophobicContact CB-CD1 3.7Å; R227-Y252 HydrophobicContact CB-CE1 3.82Å; R227-Y252 CarbonylContact O-C 3.56Å; R227-Y252 WeakPolarHBondContact O-CA 3.38Å; R227-R253 PolarHBondContact O-N 2.61Å
228	T	93.6	Very high	89.6	Confident	85 Å²	85	55.4 Å²	55.4	52%	0.521	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	141	175.5	47.4	0	0	0	0	111.6	R253 V255	T228-R253 CarbonylContact C-O 3.56Å; T228-R253 WeakPolarHBondContact CA-O 3.39Å; T228-V255 HydrophobicContact CG2-CG1 4.31Å; T228-V255 HydrophobicContact CG2-CG2 4.29Å
229	L	93.1	Very high	89.1	Confident	13 Å²	13	55.8 Å²	55.8	7%	0.068	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	106.3	166.5	-64.7	177.9	0	0	0	107.1	E231 L248 Y252 R253 F254 V255 L325	L229-E231 WeakPolarHBondContact CA-OE2 3.02Å; L229-E231 WeakPolarHBondContact CB-OE2 3.46Å; L229-L248 HydrophobicContact CD1-CD1 4.15Å; L229-L248 HydrophobicContact CD1-CD2 4.34Å; L229-L248 HydrophobicContact CD2-CD2 4.15Å; L229-Y252 HydrophobicContact CD1-CD1 3.87Å; L229-Y252 HydrophobicContact CD1-CG 3.95Å; L229-Y252 HydrophobicContact CD2-CD1 3.83Å; L229-Y252 HydrophobicContact CD2-CE1 4.18Å; L229-Y252 HydrophobicContact CG-CD1 3.68Å; L229-Y252 HydrophobicContact CG-CE1 4.49Å; L229-Y252 HydrophobicContact CG-CG 4.19Å; L229-R253 PolarHBondContact N-O 2.95Å; L229-F254 HydrophobicContact CB-CD1 3.75Å; L229-F254 HydrophobicContact CB-CE1 4.01Å; L229-F254 HydrophobicContact CD1-CD1 4.08Å; L229-F254 HydrophobicContact CD1-CE1 3.49Å; L229-F254 VanDerWaalsContact CD1-CE1 3.49Å; L229-F254 HydrophobicContact CD1-CZ 4.03Å; L229-F254 HydrophobicContact CG-CE1 4.39Å; L229-F254 WeakPolarHBondContact O-CA 3.49Å; L229-V255 PolarHBondContact O-N 3.19Å; L229-L325 HydrophobicContact CD1-CD1 3.95Å
230	D	89.4	Confident	88.6	Confident	108 Å²	108	61.2 Å²	61.2	58%	0.578	31%	0.305	S	S	*	.			trans	-109.5	4.2	-172.3	71.3	-21.9	0	0	0	113.1	Y232 V255	D230-Y232 PolarHBondContact O-N 2.84Å; D230-V255 WeakPolarHBondContact CA-O 3.01Å; D230-V255 HydrophobicContact CB-CG2 3.61Å
231	E	87.8	Confident	88.2	Confident	45 Å²	45	60.4 Å²	60.4	21%	0.21	30%	0.3	C	S	.	.			trans	-73.8	108.3	-167.7	-47.2	97.6	118.8	0	0	111.3	L229 W233 R234	L229-E231 WeakPolarHBondContact CA-OE2 3.02Å; L229-E231 WeakPolarHBondContact CB-OE2 3.46Å; E231-W233 HydrophobicContact CB-CD2 4.28Å; E231-W233 HydrophobicContact CB-CG 4.22Å; E231-W233 HydrophobicContact CB-CZ2 4.22Å; E231-W233 VanDerWaalsContact CB-NE1 3.3Å; E231-W233 HydrophobicContact CG-CZ2 4.38Å; E231-W233 PolarHBondContact O-N 2.83Å; E231-R234 HydrophobicContact CB-CG 4.33Å; E231-R234 VanDerWaalsContact O-CB 3.27Å; E231-R234 WeakPolarHBondContact O-CB 3.4Å; E231-R234 WeakPolarHBondContact O-CG 3.43Å; E231-R234 PolarHBondContact O-N 2.79Å; E231-R234 IonicContact OE1-CZ 3.98Å; E231-R234 IonicContact OE1-NE 3.91Å; E231-R234 PolarHBondContact OE1-NE 2.8Å; E231-R234 IonicContact OE1-NH2 3.35Å; E231-R234 PolarHBondContact OE1-NH2 2.79Å; E231-R234 IonicContact OE2-CZ 3.03Å; E231-R234 IonicContact OE2-NE 3.83Å; E231-R234 PolarHBondContact OE2-NE 2.86Å; E231-R234 IonicContact OE2-NH2 3.07Å
232	Y	79.9	Confident	87.8	Confident	92 Å²	92	67 Å²	67	36%	0.361	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-50.6	-29.3	180	178.3	-104.6	0	0	0	114.4	D230 R234 S235 Y238 Q257	D230-Y232 PolarHBondContact O-N 2.84Å; Y232-R234 PolarHBondContact O-N 3.34Å; Y232-R234 VanDerWaalsContact O-N 3.08Å; Y232-S235 WeakPolarHBondContact O-CB 3.37Å; Y232-S235 PolarHBondContact O-N 3.06Å; Y232-S235 VanDerWaalsContact O-N 3.11Å; Y232-Y238 AromaticContact CD1-CD2 3.86Å; Y232-Y238 HydrophobicContact CD1-CD2 3.86Å; Y232-Y238 AromaticContact CD1-CE2 3.99Å; Y232-Y238 HydrophobicContact CD1-CE2 3.99Å; Y232-Y238 AromaticContact CE1-CD2 3.76Å; Y232-Y238 HydrophobicContact CE1-CD2 3.76Å; Y232-Y238 HydrophobicContact CE1-CE2 4.1Å; Y232-Q257 HydrophobicContact CD2-CB 3.87Å; Y232-Q257 HydrophobicContact CE2-CB 4.03Å
233	W	87.3	Confident	87.3	Confident	41 Å²	41	67.9 Å²	67.9	16%	0.155	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-62.1	-15.4	177.1	67.3	-110.6	0	0	0	113.8	E231 S235 Y238 A243 C272 N273 A334	E231-W233 HydrophobicContact CB-CD2 4.28Å; E231-W233 HydrophobicContact CB-CG 4.22Å; E231-W233 HydrophobicContact CB-CZ2 4.22Å; E231-W233 VanDerWaalsContact CB-NE1 3.3Å; E231-W233 HydrophobicContact CG-CZ2 4.38Å; E231-W233 PolarHBondContact O-N 2.83Å; W233-S235 PolarHBondContact O-N 2.86Å; W233-Y238 HydrophobicContact CB-CD1 4.06Å; W233-Y238 HydrophobicContact CB-CD2 4.25Å; W233-Y238 HydrophobicContact CB-CE1 3.95Å; W233-Y238 HydrophobicContact CB-CE2 4.15Å; W233-Y238 HydrophobicContact CB-CG 4.2Å; W233-Y238 WeakPolarHBondContact O-CB 3.3Å; W233-A243 HydrophobicContact CD2-CB 4.39Å; W233-A243 HydrophobicContact CE3-CB 3.97Å; W233-A243 HydrophobicContact CH2-CB 3.9Å; W233-A243 HydrophobicContact CZ2-CB 4.29Å; W233-A243 HydrophobicContact CZ3-CB 3.71Å; W233-C272 CarbonylContact O-C 3.56Å; W233-C272 WeakPolarHBondContact O-CA 3.35Å; W233-N273 HydrophobicContact CB-CB 3.82Å; W233-N273 HydrophobicContact CD2-CB 4.18Å; W233-N273 HydrophobicContact CE3-CB 3.83Å; W233-N273 HydrophobicContact CG-CB 4.21Å; W233-A334 HydrophobicContact CH2-CB 4.29Å; W233-A334 HydrophobicContact CZ3-CB 3.9Å
234	R	91.8	Very high	86.9	Confident	5 Å²	5	69.9 Å²	69.9	2%	0.019	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-68.8	-11.9	174.3	-66	179.4	-179.1	-70.5	-7	114.1	E231 Y232 D245 C272 C336 T337	E231-R234 HydrophobicContact CB-CG 4.33Å; E231-R234 VanDerWaalsContact O-CB 3.27Å; E231-R234 WeakPolarHBondContact O-CB 3.4Å; E231-R234 WeakPolarHBondContact O-CG 3.43Å; E231-R234 PolarHBondContact O-N 2.79Å; E231-R234 IonicContact OE1-CZ 3.98Å; E231-R234 IonicContact OE1-NE 3.91Å; E231-R234 PolarHBondContact OE1-NE 2.8Å; E231-R234 IonicContact OE1-NH2 3.35Å; E231-R234 PolarHBondContact OE1-NH2 2.79Å; E231-R234 IonicContact OE2-CZ 3.03Å; E231-R234 IonicContact OE2-NE 3.83Å; E231-R234 PolarHBondContact OE2-NE 2.86Å; E231-R234 IonicContact OE2-NH2 3.07Å; Y232-R234 PolarHBondContact O-N 3.34Å; Y232-R234 VanDerWaalsContact O-N 3.08Å; R234-D245 IonicContact CZ-OD1 3.01Å; R234-D245 VanDerWaalsContact CZ-OD1 3.29Å; R234-D245 IonicContact CZ-OD2 3.33Å; R234-D245 VanDerWaalsContact NH1-CG 3.27Å; R234-D245 IonicContact NH1-OD1 3.74Å; R234-D245 PolarHBondContact NH1-OD1 3.04Å; R234-D245 IonicContact NH1-OD2 2.77Å; R234-D245 PolarHBondContact NH1-OD2 2.82Å; R234-D245 IonicContact NH2-OD1 3.48Å; R234-D245 PolarHBondContact NH2-OD1 2.64Å; R234-C272 VanDerWaalsContact C-SG 3.54Å; R234-C272 WeakPolarHBondContact CA-SG 3.36Å; R234-C272 PolarHBondContact O-SG 2.92Å; R234-C336 CarbonylContact O-C 3.6Å; R234-C336 WeakPolarHBondContact O-CA 2.86Å; R234-T337 HydrophobicContact CB-CG2 4.36Å; R234-T337 PolarHBondContact O-N 2.88Å; R234-T337 PolarHBondContact O-OG1 2.86Å
235	S	89.7	Confident	86.9	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-62.2	139.5	-180	-161	0	0	0	0	112.8	Y232 W233 E237 Y238 G258 C272 P339	Y232-S235 WeakPolarHBondContact O-CB 3.37Å; Y232-S235 PolarHBondContact O-N 3.06Å; Y232-S235 VanDerWaalsContact O-N 3.11Å; W233-S235 PolarHBondContact O-N 2.86Å; S235-E237 PolarHBondContact O-N 3.45Å; S235-E237 PolarHBondContact OG-N 2.83Å; S235-Y238 VanDerWaalsContact O-CB 3.3Å; S235-Y238 WeakPolarHBondContact O-CB 3.14Å; S235-Y238 PolarHBondContact O-N 3.3Å; S235-G258 VanDerWaalsContact CA-O 3.32Å; S235-G258 WeakPolarHBondContact CA-O 3.39Å; S235-G258 WeakPolarHBondContact CB-O 3.5Å; S235-G258 PolarHBondContact OG-O 3.47Å; S235-G258 VanDerWaalsContact OG-O 3.06Å; S235-C272 VanDerWaalsContact O-CA 3.31Å; S235-C272 WeakPolarHBondContact O-CA 3.49Å; S235-C272 PolarHBondContact O-N 2.85Å; S235-P339 WeakPolarHBondContact OG-CB 3.47Å; S235-P339 WeakPolarHBondContact OG-CD 3.41Å; S235-P339 WeakPolarHBondContact OG-CG 3.22Å
236	T	87.8	Confident	86.7	Confident	34 Å²	34	63.9 Å²	63.9	21%	0.209	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.3	168.2	56	0	0	0	0	113.6	A263 V267 C336 T337 P339	T236-A263 HydrophobicContact CG2-CB 3.81Å; T236-V267 HydrophobicContact CG2-CB 4.32Å; T236-V267 HydrophobicContact CG2-CG1 3.89Å; T236-V267 HydrophobicContact CG2-CG2 3.42Å; T236-V267 VanDerWaalsContact CG2-CG2 3.42Å; T236-C336 HydrophobicContact CG2-CB 4.06Å; T236-T337 WeakPolarHBondContact CG2-O 3.49Å; T236-T337 PolarHBondContact N-O 3.2Å; T236-P339 VanDerWaalsContact OG1-CD 3.23Å; T236-P339 WeakPolarHBondContact OG1-CD 3.39Å
237	E	82.9	Confident	86.4	Confident	126 Å²	126	67.7 Å²	67.7	59%	0.589	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-20.6	173.2	-73	177.8	-167.4	0	0	112.9	S235 P339	S235-E237 PolarHBondContact O-N 3.45Å; S235-E237 PolarHBondContact OG-N 2.83Å; E237-P339 HydrophobicContact CB-CG 4.38Å; E237-P339 HydrophobicContact CG-CG 3.79Å
238	Y	80	Confident	86.3	Confident	82 Å²	82	61.1 Å²	61.1	32%	0.322	31%	0.312	S	S	.	.	S	Bend	trans	-66.2	149.8	179.5	-157.5	-89.4	0	0	0	111.5	Y232 W233 S235 R271 C272 N273	Y232-Y238 AromaticContact CD1-CD2 3.86Å; Y232-Y238 HydrophobicContact CD1-CD2 3.86Å; Y232-Y238 AromaticContact CD1-CE2 3.99Å; Y232-Y238 HydrophobicContact CD1-CE2 3.99Å; Y232-Y238 AromaticContact CE1-CD2 3.76Å; Y232-Y238 HydrophobicContact CE1-CD2 3.76Å; Y232-Y238 HydrophobicContact CE1-CE2 4.1Å; W233-Y238 HydrophobicContact CB-CD1 4.06Å; W233-Y238 HydrophobicContact CB-CD2 4.25Å; W233-Y238 HydrophobicContact CB-CE1 3.95Å; W233-Y238 HydrophobicContact CB-CE2 4.15Å; W233-Y238 HydrophobicContact CB-CG 4.2Å; W233-Y238 WeakPolarHBondContact O-CB 3.3Å; S235-Y238 VanDerWaalsContact O-CB 3.3Å; S235-Y238 WeakPolarHBondContact O-CB 3.14Å; S235-Y238 PolarHBondContact O-N 3.3Å; Y238-R271 WeakPolarHBondContact O-CD 3.1Å; Y238-C272 PolarHBondContact O-N 2.86Å; Y238-N273 HydrophobicContact CD1-CB 3.65Å; Y238-N273 HydrophobicContact CE1-CB 3.74Å
239	G	78.7	Confident	86.1	Confident	33 Å²	33	66.1 Å²	66.1	34%	0.34	32%	0.321	S	S	.	.			trans	-70	-170.3	-176.7	0	0	0	0	0	114.8	N273	G239-N273 WeakPolarHBondContact O-CA 3.17Å; G239-N273 PolarHBondContact O-N 2.04Å
240	E	81.1	Confident	86.1	Confident	140 Å²	140	66.6 Å²	66.6	65%	0.654	33%	0.329	S	S	*	.			trans	-78.3	151.9	-178.7	67	-169.2	-161.8	0	0	113	L270	E240-L270 WeakPolarHBondContact CA-O 3.35Å; E240-L270 HydrophobicContact CB-CB 3.69Å; E240-L270 HydrophobicContact CB-CD2 4.43Å; E240-L270 WeakPolarHBondContact CB-O 3.28Å
241	G	81.9	Confident	86.4	Confident	12 Å²	12	62.1 Å²	62.1	12%	0.124	30%	0.304	C	S	.	.			trans	-179.8	-166.3	-179.6	0	0	0	0	0	113.4	N273 T274 A275	G241-N273 CarbonylContact C-O 3.56Å; G241-N273 VanDerWaalsContact CA-O 3.31Å; G241-N273 WeakPolarHBondContact CA-O 3.41Å; G241-N273 WeakPolarHBondContact CA-OD1 3.38Å; G241-T274 CarbonylContact O-C 3.57Å; G241-T274 VanDerWaalsContact O-C 3.28Å; G241-T274 WeakPolarHBondContact O-CA 3.38Å; G241-A275 PolarHBondContact O-N 3Å
242	Y	84.1	Confident	86.8	Confident	190 Å²	190	60.6 Å²	60.6	75%	0.745	30%	0.296	S	S	*	.			trans	-127.5	24.9	-173.4	-59.3	-83.5	0	0	0	113.7	N273	Y242-N273 PolarHBondContact N-O 2.98Å
243	A	84.5	Confident	87.5	Confident	19 Å²	19	59.9 Å²	59.9	16%	0.157	29%	0.293	C	S	.	.			trans	-64.5	144.5	173.2	0	0	0	0	0	111.4	W233 N273 T274	W233-A243 HydrophobicContact CD2-CB 4.39Å; W233-A243 HydrophobicContact CE3-CB 3.97Å; W233-A243 HydrophobicContact CH2-CB 3.9Å; W233-A243 HydrophobicContact CZ2-CB 4.29Å; W233-A243 HydrophobicContact CZ3-CB 3.71Å; A243-N273 HydrophobicContact CB-CB 4.26Å; A243-N273 VanDerWaalsContact CB-O 3.28Å; A243-N273 WeakPolarHBondContact CB-O 3.33Å; A243-N273 PolarHBondContact N-O 2.87Å; A243-T274 WeakPolarHBondContact O-CB 3.47Å; A243-T274 PolarHBondContact O-OG1 2.9Å
244	C	84.2	Confident	87.8	Confident	48 Å²	48	58 Å²	58	32%	0.324	29%	0.286	S	S	.	.			trans	-145.1	137.9	-178.4	54.7	0	0	0	0	111.2	T246 C331 L333	C244-T246 VanDerWaalsContact C-N 3.28Å; C244-T246 HydrophobicContact CB-CG2 4.25Å; C244-T246 PolarHBondContact O-N 3.24Å; C244-C331 VanDerWaalsContact CB-O 3.22Å; C244-C331 WeakPolarHBondContact CB-O 3.27Å; C244-L333 WeakPolarHBondContact CA-O 3.37Å
245	D	90.9	Very high	87.6	Confident	8 Å²	8	59.3 Å²	59.3	4%	0.043	30%	0.295	C	S	.	.			trans	-90.1	50.1	-175.7	-81.6	-40.9	0	0	0	112.3	R234 D247 L248 P328 L333 A334 Y335	R234-D245 IonicContact CZ-OD1 3.01Å; R234-D245 VanDerWaalsContact CZ-OD1 3.29Å; R234-D245 IonicContact CZ-OD2 3.33Å; R234-D245 VanDerWaalsContact NH1-CG 3.27Å; R234-D245 IonicContact NH1-OD1 3.74Å; R234-D245 PolarHBondContact NH1-OD1 3.04Å; R234-D245 IonicContact NH1-OD2 2.77Å; R234-D245 PolarHBondContact NH1-OD2 2.82Å; R234-D245 IonicContact NH2-OD1 3.48Å; R234-D245 PolarHBondContact NH2-OD1 2.64Å; D245-D247 VanDerWaalsContact C-N 3.27Å; D245-D247 PolarHBondContact O-N 3.24Å; D245-L248 HydrophobicContact CB-CD1 3.64Å; D245-L248 HydrophobicContact CB-CG 3.86Å; D245-P328 HydrophobicContact CB-CG 4.11Å; D245-P328 WeakPolarHBondContact O-CD 3.24Å; D245-L333 PolarHBondContact N-O 2.88Å; D245-A334 VanDerWaalsContact OD2-CA 3.25Å; D245-A334 WeakPolarHBondContact OD2-CA 3.21Å; D245-A334 WeakPolarHBondContact OD2-CB 3.22Å; D245-Y335 HydrophobicContact CB-CD2 4.14Å; D245-Y335 HydrophobicContact CB-CE2 4.44Å; D245-Y335 WeakPolarHBondContact OD2-CD2 3.34Å; D245-Y335 PolarHBondContact OD2-N 2.86Å
246	T	86.2	Confident	87	Confident	58 Å²	58	60.9 Å²	60.9	36%	0.356	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-25.5	-170.2	45.3	0	0	0	0	115.6	C244 A327	C244-T246 VanDerWaalsContact C-N 3.28Å; C244-T246 HydrophobicContact CB-CG2 4.25Å; C244-T246 PolarHBondContact O-N 3.24Å; T246-A327 WeakPolarHBondContact O-CB 3.45Å
247	D	85.8	Confident	86	Confident	130 Å²	130	61.9 Å²	61.9	70%	0.695	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	9.2	-169.4	-60.5	-68.9	0	0	0	113.6	D245 R249	D245-D247 VanDerWaalsContact C-N 3.27Å; D245-D247 PolarHBondContact O-N 3.24Å; D247-R249 PolarHBondContact O-N 2.86Å
248	L	91.2	Very high	85.6	Confident	14 Å²	14	55.9 Å²	55.9	7%	0.073	29%	0.285	C	S	.	.			trans	-72.9	121.9	178.1	-61.3	-169	0	0	0	111.6	L229 D245 Y252 L325 T326 A327 Y335	L229-L248 HydrophobicContact CD1-CD1 4.15Å; L229-L248 HydrophobicContact CD1-CD2 4.34Å; L229-L248 HydrophobicContact CD2-CD2 4.15Å; D245-L248 HydrophobicContact CB-CD1 3.64Å; D245-L248 HydrophobicContact CB-CG 3.86Å; L248-Y252 WeakPolarHBondContact CA-OH 3.35Å; L248-Y252 HydrophobicContact CB-CE2 4.1Å; L248-Y252 HydrophobicContact CD2-CD1 4.39Å; L248-Y252 HydrophobicContact CD2-CE1 3.76Å; L248-Y252 HydrophobicContact CD2-CE2 4.18Å; L248-L325 HydrophobicContact CB-CB 4.24Å; L248-L325 HydrophobicContact CD1-CB 4.15Å; L248-L325 HydrophobicContact CD1-CD1 3.84Å; L248-T326 CarbonylContact O-C 3.59Å; L248-T326 VanDerWaalsContact O-C 3.28Å; L248-T326 VanDerWaalsContact O-CA 3.28Å; L248-T326 WeakPolarHBondContact O-CA 3.03Å; L248-A327 PolarHBondContact O-N 3.17Å; L248-Y335 HydrophobicContact CD1-CD2 3.78Å; L248-Y335 HydrophobicContact CD1-CE2 4.05Å
249	R	90	Very high	85.7	Confident	191 Å²	191	52 Å²	52	72%	0.721	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.9	116.6	174	-60.5	-174.3	-172.8	178.7	3.7	110.5	D247 Y252 L325	D247-R249 PolarHBondContact O-N 2.86Å; R249-Y252 PolarHBondContact N-OH 3.19Å; R249-Y252 VanDerWaalsContact N-OH 3.07Å; R249-L325 WeakPolarHBondContact CA-O 3.15Å
250	G	92.4	Very high	86.2	Confident	23 Å²	23	51.8 Å²	51.8	24%	0.237	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	104.8	-158.2	176.9	0	0	0	0	0	113	Y252 N324 L325	G250-Y252 WeakPolarHBondContact O-CD2 3.42Å; G250-Y252 VanDerWaalsContact O-CE2 3.27Å; G250-Y252 WeakPolarHBondContact O-CE2 3.28Å; G250-N324 VanDerWaalsContact CA-OD1 3.26Å; G250-N324 WeakPolarHBondContact CA-OD1 3.37Å; G250-N324 CarbonylContact O-C 3.51Å; G250-N324 WeakPolarHBondContact O-CA 3.42Å; G250-N324 PolarHBondContact O-OD1 2.98Å; G250-L325 PolarHBondContact N-O 3.44Å; G250-L325 VanDerWaalsContact N-O 3.14Å; G250-L325 PolarHBondContact O-N 2.98Å
251	W	95.3	Very high	86.7	Confident	14 Å²	14	47.7 Å²	47.7	5%	0.053	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	127.7	-170.9	-70	94	0	0	0	113.7	D209 P222 H226 R227 I291 Q312 K314 V322 Y323 N324	D209-W251 HydrophobicContact CB-CZ2 4.2Å; D209-W251 PolarHBondContact OD2-NE1 3.27Å; P222-W251 HydrophobicContact CB-CB 4.25Å; P222-W251 HydrophobicContact CB-CD2 3.46Å; P222-W251 VanDerWaalsContact CB-CD2 3.46Å; P222-W251 HydrophobicContact CB-CE3 3.66Å; P222-W251 HydrophobicContact CB-CG 3.73Å; P222-W251 HydrophobicContact CB-CZ2 4.35Å; P222-W251 HydrophobicContact CB-CZ3 4.2Å; P222-W251 HydrophobicContact CG-CD2 3.78Å; P222-W251 HydrophobicContact CG-CE3 4.25Å; P222-W251 HydrophobicContact CG-CG 4.15Å; P222-W251 HydrophobicContact CG-CH2 4.35Å; P222-W251 HydrophobicContact CG-CZ2 3.88Å; H226-W251 WeakPolarHBondContact CA-O 3.01Å; H226-W251 HydrophobicContact CB-CB 4.16Å; R227-W251 PolarHBondContact N-O 3.33Å; W251-I291 HydrophobicContact CH2-CD1 4.38Å; W251-I291 HydrophobicContact CH2-CG1 4.18Å; W251-I291 HydrophobicContact CH2-CG2 3.86Å; W251-I291 HydrophobicContact CZ2-CD1 4.16Å; W251-I291 HydrophobicContact CZ2-CG1 4.45Å; W251-I291 HydrophobicContact CZ2-CG2 4.18Å; W251-Q312 HydrophobicContact CH2-CB 3.82Å; W251-Q312 HydrophobicContact CZ2-CB 4.25Å; W251-K314 HydrophobicContact CZ3-CB 4.32Å; W251-V322 HydrophobicContact CE3-CB 4.09Å; W251-V322 HydrophobicContact CE3-CG2 3.82Å; W251-V322 HydrophobicContact CZ3-CG2 3.94Å; W251-Y323 CarbonylContact C-O 3.56Å; W251-Y323 WeakPolarHBondContact CA-O 3.28Å; W251-Y323 VanDerWaalsContact CE3-C 3.42Å; W251-N324 HydrophobicContact CD2-CB 3.87Å; W251-N324 HydrophobicContact CE3-CB 4.08Å; W251-N324 VanDerWaalsContact CE3-N 3.31Å; W251-N324 HydrophobicContact CG-CB 4.5Å; W251-N324 HydrophobicContact CH2-CB 4.06Å; W251-N324 HydrophobicContact CZ2-CB 3.84Å; W251-N324 HydrophobicContact CZ3-CB 4.17Å
252	Y	96.3	Very high	87.4	Confident	12 Å²	12	47.1 Å²	47.1	5%	0.047	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	153.5	179.5	-62.7	-91.9	0	0	0	112.3	R227 L229 L248 R249 G250 V322 Y323 L325	R227-Y252 HydrophobicContact CB-CD1 3.7Å; R227-Y252 HydrophobicContact CB-CE1 3.82Å; R227-Y252 CarbonylContact O-C 3.56Å; R227-Y252 WeakPolarHBondContact O-CA 3.38Å; L229-Y252 HydrophobicContact CD1-CD1 3.87Å; L229-Y252 HydrophobicContact CD1-CG 3.95Å; L229-Y252 HydrophobicContact CD2-CD1 3.83Å; L229-Y252 HydrophobicContact CD2-CE1 4.18Å; L229-Y252 HydrophobicContact CG-CD1 3.68Å; L229-Y252 HydrophobicContact CG-CE1 4.49Å; L229-Y252 HydrophobicContact CG-CG 4.19Å; L248-Y252 WeakPolarHBondContact CA-OH 3.35Å; L248-Y252 HydrophobicContact CB-CE2 4.1Å; L248-Y252 HydrophobicContact CD2-CD1 4.39Å; L248-Y252 HydrophobicContact CD2-CE1 3.76Å; L248-Y252 HydrophobicContact CD2-CE2 4.18Å; R249-Y252 PolarHBondContact N-OH 3.19Å; R249-Y252 VanDerWaalsContact N-OH 3.07Å; G250-Y252 WeakPolarHBondContact O-CD2 3.42Å; G250-Y252 VanDerWaalsContact O-CE2 3.27Å; G250-Y252 WeakPolarHBondContact O-CE2 3.28Å; Y252-V322 CarbonylContact O-C 3.33Å; Y252-V322 VanDerWaalsContact O-CA 3.3Å; Y252-V322 WeakPolarHBondContact O-CA 3.37Å; Y252-Y323 PolarHBondContact N-O 2.86Å; Y252-Y323 PolarHBondContact O-N 3.05Å; Y252-L325 HydrophobicContact CD2-CB 3.85Å; Y252-L325 HydrophobicContact CD2-CD1 4.07Å; Y252-L325 HydrophobicContact CD2-CG 4.15Å; Y252-L325 HydrophobicContact CE2-CB 4.25Å; Y252-L325 HydrophobicContact CG-CD1 4.26Å
253	R	94.9	Very high	87.9	Confident	78 Å²	78	38.1 Å²	38.1	29%	0.294	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.6	169.1	-177.1	-175.4	170.8	-157.7	-1.6	109.2	H226 R227 T228 L229 V255 Y320 V322	H226-R253 WeakPolarHBondContact CD2-CB 3.39Å; H226-R253 WeakPolarHBondContact NE2-CD 3.5Å; R227-R253 PolarHBondContact O-N 2.61Å; T228-R253 CarbonylContact C-O 3.56Å; T228-R253 WeakPolarHBondContact CA-O 3.39Å; L229-R253 PolarHBondContact N-O 2.95Å; R253-V255 HydrophobicContact CG-CG1 3.91Å; R253-Y320 HydrophobicContact CG-CD2 4.04Å; R253-Y320 VanDerWaalsContact NE-CD2 3.34Å; R253-V322 HydrophobicContact CB-CG1 4.16Å
254	F	94.1	Very high	88.3	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.009	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	134	169.1	-62.9	-71.7	0	0	0	110.3	L229 M262 Y323 L325 T337	L229-F254 HydrophobicContact CB-CD1 3.75Å; L229-F254 HydrophobicContact CB-CE1 4.01Å; L229-F254 HydrophobicContact CD1-CD1 4.08Å; L229-F254 HydrophobicContact CD1-CE1 3.49Å; L229-F254 VanDerWaalsContact CD1-CE1 3.49Å; L229-F254 HydrophobicContact CD1-CZ 4.03Å; L229-F254 HydrophobicContact CG-CE1 4.39Å; L229-F254 WeakPolarHBondContact O-CA 3.49Å; F254-M262 HydrophobicContact CD2-CG 4.05Å; F254-M262 HydrophobicContact CE2-CG 3.43Å; F254-M262 VanDerWaalsContact CE2-CG 3.43Å; F254-M262 HydrophobicContact CE2-SD 4.14Å; F254-M262 HydrophobicContact CZ-CG 4.17Å; F254-Y323 AromaticContact CD2-CD2 3.68Å; F254-Y323 HydrophobicContact CD2-CD2 3.68Å; F254-Y323 AromaticContact CD2-CE2 3.48Å; F254-Y323 HydrophobicContact CD2-CE2 3.48Å; F254-Y323 VanDerWaalsContact CD2-CE2 3.48Å; F254-Y323 HydrophobicContact CD2-CG 4.41Å; F254-Y323 HydrophobicContact CE2-CD1 4.42Å; F254-Y323 AromaticContact CE2-CD2 3.75Å; F254-Y323 HydrophobicContact CE2-CD2 3.75Å; F254-Y323 AromaticContact CE2-CE2 3.93Å; F254-Y323 HydrophobicContact CE2-CE2 3.93Å; F254-Y323 HydrophobicContact CE2-CG 4.05Å; F254-L325 HydrophobicContact CE2-CD1 4.18Å; F254-L325 HydrophobicContact CZ-CD1 3.69Å; F254-T337 HydrophobicContact CB-CG2 3.65Å; F254-T337 HydrophobicContact CD1-CG2 3.3Å; F254-T337 HydrophobicContact CD2-CG2 3.89Å; F254-T337 HydrophobicContact CE1-CG2 3.86Å; F254-T337 HydrophobicContact CE2-CG2 4.4Å; F254-T337 HydrophobicContact CG-CG2 3.31Å; F254-T337 HydrophobicContact CZ-CG2 4.37Å
255	V	86.9	Confident	88.7	Confident	32 Å²	32	42.1 Å²	42.1	19%	0.194	22%	0.22	C	C	.	.			trans	-140.8	166.2	-179.4	-61.1	0	0	0	0	110.8	T228 L229 D230 R253	T228-V255 HydrophobicContact CG2-CG1 4.31Å; T228-V255 HydrophobicContact CG2-CG2 4.29Å; L229-V255 PolarHBondContact O-N 3.19Å; D230-V255 WeakPolarHBondContact CA-O 3.01Å; D230-V255 HydrophobicContact CB-CG2 3.61Å; R253-V255 HydrophobicContact CG-CG1 3.91Å
256	G	77	Confident	88.8	Confident	32 Å²	32	43.6 Å²	43.6	33%	0.33	23%	0.231	S	C	.	.	S	Bend	trans	76	-179.6	178.4	0	0	0	0	0	114.5	G258 G259	G256-G258 PolarHBondContact O-N 3.13Å; G256-G259 PolarHBondContact O-N 2.78Å; G256-G259 VanDerWaalsContact O-N 3.15Å
257	Q	67.5	Low	89.1	Confident	55 Å²	55	41 Å²	41	26%	0.257	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-6.5	-169.3	-87.7	-170.3	-3.5	0	0	116	Y232 G259 E348 R424	Y232-Q257 HydrophobicContact CD2-CB 3.87Å; Y232-Q257 HydrophobicContact CE2-CB 4.03Å; Q257-G259 PolarHBondContact O-N 2.56Å; Q257-E348 WeakPolarHBondContact CG-OE2 3.46Å; Q257-E348 PolarHBondContact NE2-OE2 3.43Å; Q257-R424 VanDerWaalsContact CG-CZ 3.49Å; Q257-R424 VanDerWaalsContact OE1-CD 3.24Å
258	G	73.8	Confident	89.4	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.01	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-37.7	170	0	0	0	0	0	111.3	S235 G256 T337 P339	S235-G258 VanDerWaalsContact CA-O 3.32Å; S235-G258 WeakPolarHBondContact CA-O 3.39Å; S235-G258 WeakPolarHBondContact CB-O 3.5Å; S235-G258 PolarHBondContact OG-O 3.47Å; S235-G258 VanDerWaalsContact OG-O 3.06Å; G256-G258 PolarHBondContact O-N 3.13Å; G258-T337 PolarHBondContact O-OG1 3.07Å; G258-T337 VanDerWaalsContact O-OG1 3.12Å; G258-P339 WeakPolarHBondContact O-CA 3.46Å
259	G	83.3	Confident	89.4	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.01	22%	0.218	C	C	.	.			trans	142	139	-176	0	0	0	0	0	109.9	G256 Q257 T337 D338	G256-G259 PolarHBondContact O-N 2.78Å; G256-G259 VanDerWaalsContact O-N 3.15Å; Q257-G259 PolarHBondContact O-N 2.56Å; G259-T337 PolarHBondContact N-OG1 3.17Å; G259-T337 WeakPolarHBondContact O-CB 3.31Å; G259-D338 VanDerWaalsContact CA-O 3.23Å; G259-D338 WeakPolarHBondContact CA-O 3.41Å
260	A	87.9	Confident	89.2	Confident	27 Å²	27	35.2 Å²	35.2	22%	0.223	20%	0.204	C	C	.	.	S	Bend	trans	-85.1	-7.3	-179.9	0	0	0	0	0	113.8	S341	A260-S341 PolarHBondContact N-OG 3Å
261	R	93	Very high	89.1	Confident	54 Å²	54	38.8 Å²	38.8	20%	0.204	21%	0.21	C	C	.	.	S	Bend	trans	-143.1	159.8	175.8	86.1	-161.1	177.8	114.9	10.1	112	E264 H284 Y321 Y323 T337 D338 S341	R261-E264 IonicContact CZ-OE1 2.76Å; R261-E264 IonicContact CZ-OE2 3.97Å; R261-E264 VanDerWaalsContact CZ-OE2 3.23Å; R261-E264 IonicContact NH1-OE1 2.69Å; R261-E264 PolarHBondContact NH1-OE1 2.99Å; R261-E264 IonicContact NH1-OE2 2.7Å; R261-E264 PolarHBondContact NH1-OE2 3.04Å; R261-E264 IonicContact NH2-OE2 3.04Å; R261-E264 PolarHBondContact NH2-OE2 3.04Å; R261-H284 PolarHBondContact NH1-ND1 2.93Å; R261-Y321 HydrophobicContact CB-CD2 3.89Å; R261-Y321 HydrophobicContact CB-CE2 4.43Å; R261-Y323 WeakPolarHBondContact CA-OH 3.32Å; R261-Y323 VanDerWaalsContact CB-OH 3.22Å; R261-Y323 WeakPolarHBondContact CB-OH 3.5Å; R261-T337 VanDerWaalsContact O-CA 3.26Å; R261-T337 WeakPolarHBondContact O-CA 3.21Å; R261-T337 WeakPolarHBondContact O-CB 3.27Å; R261-D338 PolarHBondContact O-N 2.7Å; R261-S341 VanDerWaalsContact CG-CB 3.44Å; R261-S341 PolarHBondContact N-OG 3.12Å; R261-S341 VanDerWaalsContact N-OG 3.09Å
262	M	95.8	Very high	88.9	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-62.6	151.3	176	-72.2	-176.9	62.6	0	0	111.2	F254 E264 L280 H284 A296 Y323 L325 Y335 C336	F254-M262 HydrophobicContact CD2-CG 4.05Å; F254-M262 HydrophobicContact CE2-CG 3.43Å; F254-M262 VanDerWaalsContact CE2-CG 3.43Å; F254-M262 HydrophobicContact CE2-SD 4.14Å; F254-M262 HydrophobicContact CZ-CG 4.17Å; M262-E264 PolarHBondContact O-N 3.44Å; M262-L280 HydrophobicContact CB-CB 4Å; M262-L280 HydrophobicContact CE-CB 4.12Å; M262-L280 HydrophobicContact SD-CD1 4.42Å; M262-H284 PolarHBondContact O-CE1 3.46Å; M262-H284 VanDerWaalsContact O-CE1 3.23Å; M262-A296 HydrophobicContact CE-CB 4.03Å; M262-Y323 HydrophobicContact CB-CE1 4.05Å; M262-Y323 HydrophobicContact CG-CD1 4.01Å; M262-Y323 HydrophobicContact CG-CE1 3.61Å; M262-Y323 PolarHBondContact N-OH 3.5Å; M262-Y323 VanDerWaalsContact N-OH 3.13Å; M262-Y323 HydrophobicContact SD-CD1 3.58Å; M262-Y323 VanDerWaalsContact SD-CD1 3.58Å; M262-Y323 HydrophobicContact SD-CE1 3.73Å; M262-Y323 HydrophobicContact SD-CG 4.43Å; M262-L325 HydrophobicContact SD-CD2 4.42Å; M262-Y335 HydrophobicContact CE-CD1 3.64Å; M262-Y335 HydrophobicContact CE-CE1 4.38Å; M262-Y335 HydrophobicContact SD-CD1 4.33Å; M262-C336 WeakPolarHBondContact CA-O 3.48Å
263	A	94.4	Very high	88.5	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.008	22%	0.216	C	C	.	.			trans	-66	129.1	172.2	0	0	0	0	0	111.3	T236 T265 V267 W279 L280 C336 D338	T236-A263 HydrophobicContact CG2-CB 3.81Å; A263-T265 VanDerWaalsContact C-N 3.3Å; A263-V267 HydrophobicContact CB-CG2 3.7Å; A263-W279 HydrophobicContact CB-CB 4.22Å; A263-W279 CarbonylContact O-C 3.6Å; A263-W279 WeakPolarHBondContact O-CB 3.33Å; A263-L280 PolarHBondContact O-N 2.85Å; A263-C336 PolarHBondContact N-O 2.99Å; A263-D338 HydrophobicContact CB-CB 4.33Å
264	E	94.3	Very high	88.3	Confident	51 Å²	51	35.8 Å²	35.8	24%	0.238	20%	0.202	C	C	.	.	S	Bend	trans	-86.9	0	175.9	-62.4	177.5	136.4	0	0	113	R261 M262 W279 T283 H284	R261-E264 IonicContact CZ-OE1 2.76Å; R261-E264 IonicContact CZ-OE2 3.97Å; R261-E264 VanDerWaalsContact CZ-OE2 3.23Å; R261-E264 IonicContact NH1-OE1 2.69Å; R261-E264 PolarHBondContact NH1-OE1 2.99Å; R261-E264 IonicContact NH1-OE2 2.7Å; R261-E264 PolarHBondContact NH1-OE2 3.04Å; R261-E264 IonicContact NH2-OE2 3.04Å; R261-E264 PolarHBondContact NH2-OE2 3.04Å; M262-E264 PolarHBondContact O-N 3.44Å; E264-W279 WeakPolarHBondContact O-CZ3 3.34Å; E264-T283 VanDerWaalsContact OE1-CA 3.31Å; E264-T283 WeakPolarHBondContact OE1-CA 3.23Å; E264-H284 VanDerWaalsContact CD-ND1 3.3Å; E264-H284 VanDerWaalsContact CG-CE1 3.48Å; E264-H284 WeakPolarHBondContact CG-CE1 3.47Å; E264-H284 VanDerWaalsContact CG-ND1 3.34Å; E264-H284 WeakPolarHBondContact CG-ND1 3.22Å; E264-H284 IonicContact OE1-CE1 2.92Å; E264-H284 IonicContact OE1-CG 3.46Å; E264-H284 PolarHBondContact OE1-N 3.23Å; E264-H284 IonicContact OE1-ND1 3.66Å; E264-H284 PolarHBondContact OE1-ND1 2.74Å
265	T	90.9	Very high	88	Confident	100 Å²	100	36.1 Å²	36.1	61%	0.613	21%	0.205	S	C	*	.	S	Bend	trans	-124.8	153.8	-176.9	59.3	0	0	0	0	110.8	A263 V267 W279	A263-T265 VanDerWaalsContact C-N 3.3Å; T265-V267 PolarHBondContact O-N 2.03Å; T265-W279 VanDerWaalsContact C-CE3 3.42Å; T265-W279 WeakPolarHBondContact O-CB 3.41Å
266	C	93.5	Very high	88.2	Confident	40 Å²	40	34.6 Å²	34.6	27%	0.27	20%	0.195	S	C	.	.			trans	-61.4	108.9	-179.3	175.2	0	0	0	0	111.7	W279 H299 C304	C266-W279 HydrophobicContact CB-CD2 4.47Å; C266-W279 HydrophobicContact CB-CZ2 4.06Å; C266-H299 PolarHBondContact SG-ND1 2.77Å; C266-H299 VanDerWaalsContact SG-ND1 3.38Å; C266-C304 HydrophobicContact CB-CB 3.69Å; C266-C304 WeakPolarHBondContact CB-SG 2.95Å; C266-C304 VanDerWaalsContact SG-CA 3.56Å; C266-C304 WeakPolarHBondContact SG-CB 3Å; C266-C304 CovalentContact SG-SG 2.03Å; C266-C304 PolarHBondContact SG-SG 3.04Å
267	V	93.7	Very high	89	Confident	4 Å²	4	33 Å²	33	2%	0.024	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-72.7	130.1	178.4	-177.9	0	0	0	0	109.1	T236 A263 T265 R271 P277 W279 H299 C336	T236-V267 HydrophobicContact CG2-CB 4.32Å; T236-V267 HydrophobicContact CG2-CG1 3.89Å; T236-V267 HydrophobicContact CG2-CG2 3.42Å; T236-V267 VanDerWaalsContact CG2-CG2 3.42Å; A263-V267 HydrophobicContact CB-CG2 3.7Å; T265-V267 PolarHBondContact O-N 2.03Å; V267-R271 HydrophobicContact CG1-CB 3.8Å; V267-R271 HydrophobicContact CG1-CG 4.39Å; V267-P277 HydrophobicContact CB-CB 3.98Å; V267-P277 HydrophobicContact CB-CG 4.17Å; V267-P277 HydrophobicContact CG1-CB 3.68Å; V267-P277 HydrophobicContact CG1-CG 3.86Å; V267-W279 HydrophobicContact CG2-CB 3.93Å; V267-H299 WeakPolarHBondContact O-CB 3.41Å; V267-H299 PolarHBondContact O-ND1 3.03Å; V267-C336 HydrophobicContact CG2-CB 4.13Å
268	P	90.9	Very high	90.4	Very high	78 Å²	78	30.4 Å²	30.4	51%	0.506	17%	0.167	S	C	.	.	P	Polyproline II helix	trans	-58.1	145.7	175.2	-24.2	34.4	0	0	0	111.9	R271 P277	P268-R271 HydrophobicContact CB-CG 4.28Å; P268-R271 WeakPolarHBondContact O-CB 3.33Å; P268-R271 WeakPolarHBondContact O-CG 3.47Å; P268-P277 WeakPolarHBondContact O-CG 3.16Å
269	V	90.9	Very high	91.4	Very high	55 Å²	55	31.6 Å²	31.6	33%	0.333	17%	0.172	S	C	.	.	S	Bend	trans	-52.4	155.8	173.3	-62.5	0	0	0	0	112	H299	V269-H299 HydrophobicContact CG1-CB 4.45Å
270	L	87.1	Confident	92.1	Very high	79 Å²	79	31.5 Å²	31.5	41%	0.414	17%	0.171	S	C	.	.	S	Bend	trans	60.9	46.5	178.9	-55.2	177	0	0	0	112.9	E240 A275	E240-L270 WeakPolarHBondContact CA-O 3.35Å; E240-L270 HydrophobicContact CB-CB 3.69Å; E240-L270 HydrophobicContact CB-CD2 4.43Å; E240-L270 WeakPolarHBondContact CB-O 3.28Å; L270-A275 HydrophobicContact CD2-CB 4.44Å
271	R	90.4	Very high	92.4	Very high	99 Å²	99	33.9 Å²	33.9	37%	0.374	18%	0.18	S	C	.	.	B	Isolated β-bridge	trans	-134.1	168.8	177.5	-67.1	-64.2	175.4	178.5	-3.9	110.2	Y238 V267 P268 N273 T274	Y238-R271 WeakPolarHBondContact O-CD 3.1Å; V267-R271 HydrophobicContact CG1-CB 3.8Å; V267-R271 HydrophobicContact CG1-CG 4.39Å; P268-R271 HydrophobicContact CB-CG 4.28Å; P268-R271 WeakPolarHBondContact O-CB 3.33Å; P268-R271 WeakPolarHBondContact O-CG 3.47Å; R271-N273 PolarHBondContact O-N 3.36Å; R271-T274 PolarHBondContact N-O 3.03Å; R271-T274 WeakPolarHBondContact O-CG2 3.34Å; R271-T274 PolarHBondContact O-N 3.24Å; R271-T274 VanDerWaalsContact O-N 3.11Å; R271-T274 VanDerWaalsContact O-O 3.09Å
272	C	90.2	Very high	92.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	34.7	179.1	172.5	0	0	0	0	111.4	W233 R234 S235 Y238 T274 C336	W233-C272 CarbonylContact O-C 3.56Å; W233-C272 WeakPolarHBondContact O-CA 3.35Å; R234-C272 VanDerWaalsContact C-SG 3.54Å; R234-C272 WeakPolarHBondContact CA-SG 3.36Å; R234-C272 PolarHBondContact O-SG 2.92Å; S235-C272 VanDerWaalsContact O-CA 3.31Å; S235-C272 WeakPolarHBondContact O-CA 3.49Å; S235-C272 PolarHBondContact O-N 2.85Å; Y238-C272 PolarHBondContact O-N 2.86Å; C272-T274 HydrophobicContact CB-CG2 4.39Å; C272-T274 PolarHBondContact O-N 2.8Å; C272-C336 HydrophobicContact CB-CB 3.9Å; C272-C336 WeakPolarHBondContact CB-SG 3.39Å; C272-C336 VanDerWaalsContact SG-CA 3.59Å; C272-C336 PolarHBondContact SG-SG 2.69Å
273	N	88.6	Confident	91.9	Very high	40 Å²	40	36.9 Å²	36.9	21%	0.214	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	22.6	-178.9	-165.4	28.3	0	0	0	113.9	W233 Y238 G239 G241 Y242 A243 R271	W233-N273 HydrophobicContact CB-CB 3.82Å; W233-N273 HydrophobicContact CD2-CB 4.18Å; W233-N273 HydrophobicContact CE3-CB 3.83Å; W233-N273 HydrophobicContact CG-CB 4.21Å; Y238-N273 HydrophobicContact CD1-CB 3.65Å; Y238-N273 HydrophobicContact CE1-CB 3.74Å; G239-N273 WeakPolarHBondContact O-CA 3.17Å; G239-N273 PolarHBondContact O-N 2.04Å; G241-N273 CarbonylContact C-O 3.56Å; G241-N273 VanDerWaalsContact CA-O 3.31Å; G241-N273 WeakPolarHBondContact CA-O 3.41Å; G241-N273 WeakPolarHBondContact CA-OD1 3.38Å; Y242-N273 PolarHBondContact N-O 2.98Å; A243-N273 HydrophobicContact CB-CB 4.26Å; A243-N273 VanDerWaalsContact CB-O 3.28Å; A243-N273 WeakPolarHBondContact CB-O 3.33Å; A243-N273 PolarHBondContact N-O 2.87Å; R271-N273 PolarHBondContact O-N 3.36Å
274	T	90	Very high	91.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-137.3	158.9	-175.1	-163.5	0	0	0	0	111.1	G241 A243 R271 C272 P277 H332 A334	G241-T274 CarbonylContact O-C 3.57Å; G241-T274 VanDerWaalsContact O-C 3.28Å; G241-T274 WeakPolarHBondContact O-CA 3.38Å; A243-T274 WeakPolarHBondContact O-CB 3.47Å; A243-T274 PolarHBondContact O-OG1 2.9Å; R271-T274 PolarHBondContact N-O 3.03Å; R271-T274 WeakPolarHBondContact O-CG2 3.34Å; R271-T274 PolarHBondContact O-N 3.24Å; R271-T274 VanDerWaalsContact O-N 3.11Å; R271-T274 VanDerWaalsContact O-O 3.09Å; C272-T274 HydrophobicContact CB-CG2 4.39Å; C272-T274 PolarHBondContact O-N 2.8Å; T274-P277 HydrophobicContact CG2-CB 4.04Å; T274-H332 PolarHBondContact OG1-O 2.81Å; T274-A334 HydrophobicContact CG2-CB 3.91Å
275	A	88.1	Confident	91.8	Very high	9 Å²	9	35.2 Å²	35.2	7%	0.074	20%	0.202	C	C	.	.	S	Bend	trans	-82.6	-36	-175.6	0	0	0	0	0	111.8	G241 L270 P277 W300 H332	G241-A275 PolarHBondContact O-N 3Å; L270-A275 HydrophobicContact CD2-CB 4.44Å; A275-P277 WeakPolarHBondContact O-CD 3.47Å; A275-W300 HydrophobicContact CB-CH2 4.42Å; A275-W300 HydrophobicContact CB-CZ3 3.78Å; A275-H332 HydrophobicContact CB-CB 4.32Å
276	A	91.6	Very high	91.7	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	81.6	178.9	0	0	0	0	0	111.3	M278 H299 W300 W307 H332 L333	A276-M278 PolarHBondContact O-N 3.19Å; A276-H299 WeakPolarHBondContact CA-O 3.29Å; A276-W300 HydrophobicContact CB-CE3 3.69Å; A276-W300 HydrophobicContact CB-CZ3 4.2Å; A276-W307 HydrophobicContact CB-CE3 4.27Å; A276-W307 HydrophobicContact CB-CZ3 3.82Å; A276-H332 WeakPolarHBondContact CB-O 3.01Å; A276-H332 PolarHBondContact N-O 2.89Å; A276-L333 HydrophobicContact CB-CD1 3.71Å; A276-L333 HydrophobicContact CB-CG 3.84Å; A276-L333 WeakPolarHBondContact O-CA 3.29Å
277	P	93.8	Very high	91.2	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	134.4	-175.2	19.9	-27.3	0	0	0	112.7	V267 P268 T274 A275 A298 H299 C336	V267-P277 HydrophobicContact CB-CB 3.98Å; V267-P277 HydrophobicContact CB-CG 4.17Å; V267-P277 HydrophobicContact CG1-CB 3.68Å; V267-P277 HydrophobicContact CG1-CG 3.86Å; P268-P277 WeakPolarHBondContact O-CG 3.16Å; T274-P277 HydrophobicContact CG2-CB 4.04Å; A275-P277 WeakPolarHBondContact O-CD 3.47Å; P277-A298 WeakPolarHBondContact O-CA 3.19Å; P277-H299 PolarHBondContact O-N 2.91Å; P277-C336 VanDerWaalsContact CA-SG 3.54Å; P277-C336 WeakPolarHBondContact CB-SG 3.35Å
278	M	95.3	Very high	90.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	133.5	178.7	-58.5	-169	75.4	0	0	112.7	A276 A296 C297 A298 A309 P328 L333 A334 Y335 C336	A276-M278 PolarHBondContact O-N 3.19Å; M278-A296 HydrophobicContact CE-CB 3.96Å; M278-C297 CarbonylContact C-O 3.49Å; M278-C297 VanDerWaalsContact CA-O 3.26Å; M278-C297 WeakPolarHBondContact CA-O 2.99Å; M278-A298 HydrophobicContact CG-CB 3.91Å; M278-A309 HydrophobicContact CE-CB 3.95Å; M278-P328 HydrophobicContact SD-CB 3.85Å; M278-P328 HydrophobicContact SD-CG 3.77Å; M278-L333 HydrophobicContact CE-CD2 4.48Å; M278-L333 HydrophobicContact CG-CB 4Å; M278-L333 HydrophobicContact CG-CD2 4.3Å; M278-L333 HydrophobicContact CG-CG 4.31Å; M278-L333 HydrophobicContact SD-CB 3.87Å; M278-L333 HydrophobicContact SD-CD2 3.94Å; M278-L333 HydrophobicContact SD-CG 4.36Å; M278-A334 WeakPolarHBondContact CB-O 3.48Å; M278-A334 PolarHBondContact N-O 3.47Å; M278-Y335 HydrophobicContact CB-CD1 4.05Å; M278-Y335 HydrophobicContact CE-CE1 4.1Å; M278-Y335 HydrophobicContact SD-CD1 4.31Å; M278-Y335 HydrophobicContact SD-CE1 4Å; M278-C336 PolarHBondContact N-SG 2.81Å; M278-C336 VanDerWaalsContact N-SG 3.38Å; M278-C336 WeakPolarHBondContact O-CB 3.14Å; M278-C336 PolarHBondContact O-N 3.42Å; M278-C336 PolarHBondContact O-SG 2.8Å; M278-C336 VanDerWaalsContact O-SG 3.32Å
279	W	95.9	Very high	90.6	Very high	25 Å²	25	43.2 Å²	43.2	10%	0.095	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	156.9	-177.7	64.8	-80	0	0	0	110.9	A263 E264 T265 C266 V267 N281 A296 C297 C304	A263-W279 HydrophobicContact CB-CB 4.22Å; A263-W279 CarbonylContact O-C 3.6Å; A263-W279 WeakPolarHBondContact O-CB 3.33Å; E264-W279 WeakPolarHBondContact O-CZ3 3.34Å; T265-W279 VanDerWaalsContact C-CE3 3.42Å; T265-W279 WeakPolarHBondContact O-CB 3.41Å; C266-W279 HydrophobicContact CB-CD2 4.47Å; C266-W279 HydrophobicContact CB-CZ2 4.06Å; V267-W279 HydrophobicContact CG2-CB 3.93Å; W279-N281 HydrophobicContact CH2-CB 4.15Å; W279-N281 HydrophobicContact CZ3-CB 4.23Å; W279-N281 PolarHBondContact O-N 2.89Å; W279-A296 CarbonylContact O-C 3.42Å; W279-A296 VanDerWaalsContact O-CA 3.27Å; W279-A296 WeakPolarHBondContact O-CA 3.02Å; W279-C297 HydrophobicContact CD2-CB 4.48Å; W279-C297 HydrophobicContact CZ2-CB 3.98Å; W279-C297 PolarHBondContact N-O 2.81Å; W279-C297 PolarHBondContact NE1-O 2.84Å; W279-C297 PolarHBondContact O-N 3.21Å; W279-C304 HydrophobicContact CZ2-CB 4.19Å; W279-C304 PolarHBondContact NE1-O 2.94Å
280	L	97.1	Very high	90.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	115.4	-178.1	-169.5	70.8	0	0	0	110.2	M262 A263 G282 R294 V313	M262-L280 HydrophobicContact CB-CB 4Å; M262-L280 HydrophobicContact CE-CB 4.12Å; M262-L280 HydrophobicContact SD-CD1 4.42Å; A263-L280 PolarHBondContact O-N 2.85Å; L280-G282 PolarHBondContact O-N 2.94Å; L280-G282 VanDerWaalsContact O-N 3.14Å; L280-R294 HydrophobicContact CD1-CB 3.76Å; L280-R294 HydrophobicContact CD1-CG 4.39Å; L280-V313 HydrophobicContact CD1-CG2 4.08Å; L280-V313 HydrophobicContact CD2-CG2 4.35Å
281	N	94.3	Very high	90.8	Very high	77 Å²	77	39.8 Å²	39.8	41%	0.412	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	94.7	177.7	-172.7	1.5	0	0	0	110.5	W279 K295 C297	W279-N281 HydrophobicContact CH2-CB 4.15Å; W279-N281 HydrophobicContact CZ3-CB 4.23Å; W279-N281 PolarHBondContact O-N 2.89Å; N281-K295 HydrophobicContact CB-CB 4.45Å; N281-K295 WeakPolarHBondContact CB-O 3.44Å; N281-K295 PolarHBondContact N-O 2.78Å; N281-C297 HydrophobicContact CB-CB 4.33Å; N281-C297 VanDerWaalsContact CB-SG 3.59Å; N281-C297 PolarHBondContact ND2-SG 2.96Å
282	G	89	Confident	90.9	Very high	28 Å²	28	36.5 Å²	36.5	29%	0.289	22%	0.218	S	C	.	.	S	Bend	trans	121	167.3	-176.2	0	0	0	0	0	111.5	L280	L280-G282 PolarHBondContact O-N 2.94Å; L280-G282 VanDerWaalsContact O-N 3.14Å
283	T	90.6	Very high	91.1	Very high	89 Å²	89	40.8 Å²	40.8	55%	0.546	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-70.4	154.7	177	57.2	0	0	0	0	111.8	E264 R294	E264-T283 VanDerWaalsContact OE1-CA 3.31Å; E264-T283 WeakPolarHBondContact OE1-CA 3.23Å; T283-R294 PolarHBondContact O-NH1 2.96Å
284	H	92.7	Very high	91.4	Very high	14 Å²	14	41.5 Å²	41.5	7%	0.065	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-62	150.8	165.4	-65	72	0	0	0	110.5	R261 M262 E264 Y321 Y323	R261-H284 PolarHBondContact NH1-ND1 2.93Å; M262-H284 PolarHBondContact O-CE1 3.46Å; M262-H284 VanDerWaalsContact O-CE1 3.23Å; E264-H284 VanDerWaalsContact CD-ND1 3.3Å; E264-H284 VanDerWaalsContact CG-CE1 3.48Å; E264-H284 WeakPolarHBondContact CG-CE1 3.47Å; E264-H284 VanDerWaalsContact CG-ND1 3.34Å; E264-H284 WeakPolarHBondContact CG-ND1 3.22Å; E264-H284 IonicContact OE1-CE1 2.92Å; E264-H284 IonicContact OE1-CG 3.46Å; E264-H284 PolarHBondContact OE1-N 3.23Å; E264-H284 IonicContact OE1-ND1 3.66Å; E264-H284 PolarHBondContact OE1-ND1 2.74Å; H284-Y321 HydrophobicContact CB-CD1 3.91Å; H284-Y321 HydrophobicContact CB-CE1 3.5Å; H284-Y321 VanDerWaalsContact CB-CE1 3.5Å; H284-Y321 HydrophobicContact CB-CE2 4.32Å; H284-Y321 HydrophobicContact CB-CG 4.48Å; H284-Y321 AromaticContact CD2-CD1 3.92Å; H284-Y321 AromaticContact CD2-CD2 3.91Å; H284-Y321 AromaticContact CD2-CG 3.71Å; H284-Y323 PolarHBondContact CD2-OH 3.24Å; H284-Y323 AromaticContact NE2-CE1 3.71Å; H284-Y323 AromaticContact NE2-CZ 3.77Å; H284-Y323 PolarHBondContact NE2-OH 2.69Å
285	P	93.1	Very high	91.6	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.019	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-71.3	157.8	178	30.8	-36.1	0	0	0	112.2	E289 V292 V313 A315 Y321	P285-E289 VanDerWaalsContact CA-OE2 3.3Å; P285-E289 WeakPolarHBondContact CA-OE2 3.43Å; P285-E289 HydrophobicContact CB-CB 4.04Å; P285-E289 WeakPolarHBondContact CB-OE2 3.37Å; P285-V292 HydrophobicContact CB-CB 4.19Å; P285-V292 HydrophobicContact CB-CG2 3.76Å; P285-V292 HydrophobicContact CG-CG2 4.47Å; P285-V313 HydrophobicContact CG-CB 4.19Å; P285-V313 HydrophobicContact CG-CG1 3.99Å; P285-A315 HydrophobicContact CG-CB 4.4Å; P285-A315 WeakPolarHBondContact O-CB 3.3Å; P285-Y321 WeakPolarHBondContact O-CE1 3.37Å
286	S	88.6	Confident	91.9	Very high	54 Å²	54	45.9 Å²	45.9	38%	0.378	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-79.7	167.1	165.8	54.1	0	0	0	0	111.7	D288 E289	S286-D288 WeakPolarHBondContact CB-OD1 3.45Å; S286-D288 PolarHBondContact O-N 2.85Å; S286-D288 PolarHBondContact OG-OD1 3.22Å; S286-E289 PolarHBondContact O-N 3.05Å
287	S	83.5	Confident	92.1	Very high	101 Å²	101	45.9 Å²	45.9	71%	0.706	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-17	-175.4	48	0	0	0	0	114.8
288	D	84.4	Confident	92.1	Very high	137 Å²	137	45.9 Å²	45.9	73%	0.733	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-15.9	177.6	60.9	-43	0	0	0	114.2	S286 G290	S286-D288 WeakPolarHBondContact CB-OD1 3.45Å; S286-D288 PolarHBondContact O-N 2.85Å; S286-D288 PolarHBondContact OG-OD1 3.22Å; D288-G290 VanDerWaalsContact C-N 3.31Å; D288-G290 PolarHBondContact O-N 2.54Å
289	E	86.4	Confident	92	Very high	97 Å²	97	47 Å²	47	45%	0.453	27%	0.27	S	S	.	.	S	Bend	trans	-74.3	-17.4	178.8	-73.7	-177.3	-176.5	0	0	113.6	P285 S286 V292 R294	P285-E289 VanDerWaalsContact CA-OE2 3.3Å; P285-E289 WeakPolarHBondContact CA-OE2 3.43Å; P285-E289 HydrophobicContact CB-CB 4.04Å; P285-E289 WeakPolarHBondContact CB-OE2 3.37Å; S286-E289 PolarHBondContact O-N 3.05Å; E289-V292 HydrophobicContact CB-CG2 3.66Å; E289-R294 IonicContact OE2-NH2 2.76Å; E289-R294 PolarHBondContact OE2-NH2 2.69Å
290	G	89.4	Confident	91.7	Very high	17 Å²	17	50.4 Å²	50.4	18%	0.175	28%	0.283	C	S	.	.			trans	72.5	-132.8	-179.1	0	0	0	0	0	113.4	D288	D288-G290 VanDerWaalsContact C-N 3.31Å; D288-G290 PolarHBondContact O-N 2.54Å
291	I	93.6	Very high	91.2	Very high	45 Å²	45	55 Å²	55	23%	0.231	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	113.7	177.6	-65.1	168.6	0	0	0	109.1	L208 D209 P222 W251 Q312 K314	L208-I291 WeakPolarHBondContact O-CD1 3.4Å; D209-I291 HydrophobicContact CB-CD1 4.04Å; P222-I291 HydrophobicContact CG-CD1 4.38Å; W251-I291 HydrophobicContact CH2-CD1 4.38Å; W251-I291 HydrophobicContact CH2-CG1 4.18Å; W251-I291 HydrophobicContact CH2-CG2 3.86Å; W251-I291 HydrophobicContact CZ2-CD1 4.16Å; W251-I291 HydrophobicContact CZ2-CG1 4.45Å; W251-I291 HydrophobicContact CZ2-CG2 4.18Å; I291-Q312 HydrophobicContact CG2-CB 3.97Å; I291-Q312 HydrophobicContact CG2-CG 4.44Å; I291-K314 HydrophobicContact CG1-CB 4.11Å; I291-K314 HydrophobicContact CG1-CD 3.98Å; I291-K314 HydrophobicContact CG1-CG 4.34Å
292	V	93.6	Very high	90.7	Very high	30 Å²	30	54.3 Å²	54.3	18%	0.182	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	133.6	-176.4	-175.9	0	0	0	0	111	P285 E289 R294 Q312 V313	P285-V292 HydrophobicContact CB-CB 4.19Å; P285-V292 HydrophobicContact CB-CG2 3.76Å; P285-V292 HydrophobicContact CG-CG2 4.47Å; E289-V292 HydrophobicContact CB-CG2 3.66Å; V292-R294 HydrophobicContact CG1-CG 4.47Å; V292-Q312 CarbonylContact O-C 3.52Å; V292-Q312 WeakPolarHBondContact O-CA 3.38Å; V292-V313 PolarHBondContact N-O 3.11Å; V292-V313 PolarHBondContact O-N 2.77Å
293	S	93.4	Very high	90.7	Very high	91 Å²	91	58.7 Å²	58.7	64%	0.636	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	129	174	-61.1	0	0	0	0	111
294	R	94.4	Very high	90.8	Very high	55 Å²	55	56.9 Å²	56.9	21%	0.208	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	174.1	178.8	-60.1	-68	177.2	150	-3.8	109.5	L280 T283 E289 V292 V311 V313	L280-R294 HydrophobicContact CD1-CB 3.76Å; L280-R294 HydrophobicContact CD1-CG 4.39Å; T283-R294 PolarHBondContact O-NH1 2.96Å; E289-R294 IonicContact OE2-NH2 2.76Å; E289-R294 PolarHBondContact OE2-NH2 2.69Å; V292-R294 HydrophobicContact CG1-CG 4.47Å; R294-V311 CarbonylContact C-O 3.53Å; R294-V311 PolarHBondContact N-O 2.81Å; R294-V311 PolarHBondContact O-N 2.83Å; R294-V311 VanDerWaalsContact O-O 3.05Å; R294-V313 HydrophobicContact CB-CG2 4.41Å; R294-V313 HydrophobicContact CG-CG2 4.15Å
295	K	94.7	Very high	90.8	Very high	101 Å²	101	59 Å²	59	44%	0.439	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.2	170.9	-73	-170.6	169	-136.4	0	109.9	N281 D308 A309	N281-K295 HydrophobicContact CB-CB 4.45Å; N281-K295 WeakPolarHBondContact CB-O 3.44Å; N281-K295 PolarHBondContact N-O 2.78Å; K295-D308 WeakPolarHBondContact CD-OD2 3.18Å; K295-D308 WeakPolarHBondContact CE-OD2 3.44Å; K295-D308 IonicContact NZ-OD1 2.78Å; K295-D308 IonicContact NZ-OD2 3.15Å; K295-D308 PolarHBondContact NZ-OD2 3.48Å; K295-A309 WeakPolarHBondContact CA-O 3.46Å
296	A	95.5	Very high	90.6	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	126	162.7	0	0	0	0	0	108.8	M262 M278 W279 D308 A309 V311 Y335	M262-A296 HydrophobicContact CE-CB 4.03Å; M278-A296 HydrophobicContact CE-CB 3.96Å; W279-A296 CarbonylContact O-C 3.42Å; W279-A296 VanDerWaalsContact O-CA 3.27Å; W279-A296 WeakPolarHBondContact O-CA 3.02Å; A296-D308 CarbonylContact O-C 3.56Å; A296-D308 WeakPolarHBondContact O-CA 3.42Å; A296-A309 PolarHBondContact N-O 2.91Å; A296-A309 PolarHBondContact O-N 3.3Å; A296-V311 HydrophobicContact CB-CG2 3.76Å; A296-Y335 HydrophobicContact CB-CD1 4.15Å; A296-Y335 HydrophobicContact CB-CE1 3.62Å
297	C	95	Very high	90.6	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	135.3	-175.8	-82	0	0	0	0	110.6	M278 W279 N281 C305	M278-C297 CarbonylContact C-O 3.49Å; M278-C297 VanDerWaalsContact CA-O 3.26Å; M278-C297 WeakPolarHBondContact CA-O 2.99Å; W279-C297 HydrophobicContact CD2-CB 4.48Å; W279-C297 HydrophobicContact CZ2-CB 3.98Å; W279-C297 PolarHBondContact N-O 2.81Å; W279-C297 PolarHBondContact NE1-O 2.84Å; W279-C297 PolarHBondContact O-N 3.21Å; N281-C297 HydrophobicContact CB-CB 4.33Å; N281-C297 VanDerWaalsContact CB-SG 3.59Å; N281-C297 PolarHBondContact ND2-SG 2.96Å; C297-C305 HydrophobicContact CB-CB 3.47Å; C297-C305 VanDerWaalsContact CB-CB 3.47Å; C297-C305 WeakPolarHBondContact CB-SG 3.29Å; C297-C305 WeakPolarHBondContact SG-CB 3.34Å; C297-C305 CovalentContact SG-SG 2.03Å; C297-C305 PolarHBondContact SG-SG 2.96Å
298	A	93.8	Very high	90.9	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	131.8	173.8	0	0	0	0	0	111.4	P277 M278 C304 C305 L306 W307 L333	P277-A298 WeakPolarHBondContact O-CA 3.19Å; M278-A298 HydrophobicContact CG-CB 3.91Å; A298-C304 CarbonylContact C-O 3.54Å; A298-C304 CarbonylContact O-C 3.6Å; A298-C305 WeakPolarHBondContact O-CA 3.23Å; A298-L306 PolarHBondContact O-N 2.93Å; A298-W307 HydrophobicContact CB-CB 4.05Å; A298-W307 HydrophobicContact CB-CE3 4.04Å; A298-W307 PolarHBondContact N-O 2.94Å; A298-L333 HydrophobicContact CB-CD2 3.69Å; A298-L333 HydrophobicContact CB-CG 4.01Å
299	H	93.1	Very high	91.3	Very high	22 Å²	22	56.2 Å²	56.2	10%	0.102	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	122.8	171.7	-171.4	177.3	0	0	0	110.7	C266 V267 V269 A276 P277 G302 H303	C266-H299 PolarHBondContact SG-ND1 2.77Å; C266-H299 VanDerWaalsContact SG-ND1 3.38Å; V267-H299 WeakPolarHBondContact O-CB 3.41Å; V267-H299 PolarHBondContact O-ND1 3.03Å; V269-H299 HydrophobicContact CG1-CB 4.45Å; A276-H299 WeakPolarHBondContact CA-O 3.29Å; P277-H299 PolarHBondContact O-N 2.91Å; H299-G302 WeakPolarHBondContact NE2-CA 3.08Å; H299-H303 WeakPolarHBondContact CA-O 3.32Å; H299-H303 PolarHBondContact CD2-O 2.78Å
300	W	90.3	Very high	91.6	Very high	98 Å²	98	56 Å²	56	37%	0.371	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	141.1	170.7	-172.6	-103.8	0	0	0	112.1	A275 A276 G302 H303 L306 W307	A275-W300 HydrophobicContact CB-CH2 4.42Å; A275-W300 HydrophobicContact CB-CZ3 3.78Å; A276-W300 HydrophobicContact CB-CE3 3.69Å; A276-W300 HydrophobicContact CB-CZ3 4.2Å; W300-G302 PolarHBondContact O-N 3.31Å; W300-H303 PolarHBondContact N-O 2.99Å; W300-H303 PolarHBondContact O-N 3.04Å; W300-L306 HydrophobicContact CB-CB 4.21Å; W300-L306 HydrophobicContact CB-CD2 3.76Å; W300-L306 HydrophobicContact CG-CD2 3.98Å; W300-W307 HydrophobicContact CB-CE3 4.13Å; W300-W307 HydrophobicContact CB-CH2 4.06Å; W300-W307 HydrophobicContact CB-CZ3 3.51Å; W300-W307 AromaticContact CD1-CH2 3.84Å; W300-W307 AromaticContact CD2-CH2 3.82Å; W300-W307 HydrophobicContact CD2-CH2 3.82Å; W300-W307 AromaticContact CD2-CZ3 3.82Å; W300-W307 HydrophobicContact CD2-CZ3 3.82Å; W300-W307 HydrophobicContact CE3-CH2 4.43Å; W300-W307 HydrophobicContact CE3-CZ3 4.14Å; W300-W307 AromaticContact CG-CH2 3.66Å; W300-W307 HydrophobicContact CG-CH2 3.66Å; W300-W307 AromaticContact CG-CZ3 3.58Å; W300-W307 HydrophobicContact CG-CZ3 3.58Å
301	S	86.4	Confident	91.8	Very high	97 Å²	97	55.2 Å²	55.2	68%	0.678	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	33.7	173	-170.4	0	0	0	0	115.2
302	G	82.7	Confident	91.9	Very high	62 Å²	62	55.3 Å²	55.3	64%	0.639	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	0	-177.6	0	0	0	0	0	115.5	H299 W300	H299-G302 WeakPolarHBondContact NE2-CA 3.08Å; W300-G302 PolarHBondContact O-N 3.31Å
303	H	90.1	Very high	92	Very high	120 Å²	120	53.9 Å²	53.9	56%	0.556	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	110.8	173.9	-67.1	-83.8	0	0	0	110.3	H299 W300 C305 L306	H299-H303 WeakPolarHBondContact CA-O 3.32Å; H299-H303 PolarHBondContact CD2-O 2.78Å; W300-H303 PolarHBondContact N-O 2.99Å; W300-H303 PolarHBondContact O-N 3.04Å; H303-C305 PolarHBondContact O-N 2.81Å; H303-C305 VanDerWaalsContact O-N 3.13Å; H303-L306 HydrophobicContact CB-CB 4.18Å; H303-L306 HydrophobicContact CB-CD1 4.49Å
304	C	92	Very high	92.1	Very high	51 Å²	51	50.5 Å²	50.5	35%	0.345	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	-15	-176.7	-74.5	0	0	0	0	116	C266 W279 A298	C266-C304 HydrophobicContact CB-CB 3.69Å; C266-C304 WeakPolarHBondContact CB-SG 2.95Å; C266-C304 VanDerWaalsContact SG-CA 3.56Å; C266-C304 WeakPolarHBondContact SG-CB 3Å; C266-C304 CovalentContact SG-SG 2.03Å; C266-C304 PolarHBondContact SG-SG 3.04Å; W279-C304 HydrophobicContact CZ2-CB 4.19Å; W279-C304 PolarHBondContact NE1-O 2.94Å; A298-C304 CarbonylContact C-O 3.54Å; A298-C304 CarbonylContact O-C 3.6Å
305	C	92.8	Very high	92	Very high	57 Å²	57	48.5 Å²	48.5	39%	0.385	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	63.9	177.8	-164.3	0	0	0	0	109.1	C297 A298 H303	C297-C305 HydrophobicContact CB-CB 3.47Å; C297-C305 VanDerWaalsContact CB-CB 3.47Å; C297-C305 WeakPolarHBondContact CB-SG 3.29Å; C297-C305 WeakPolarHBondContact SG-CB 3.34Å; C297-C305 CovalentContact SG-SG 2.03Å; C297-C305 PolarHBondContact SG-SG 2.96Å; A298-C305 WeakPolarHBondContact O-CA 3.23Å; H303-C305 PolarHBondContact O-N 2.81Å; H303-C305 VanDerWaalsContact O-N 3.13Å
306	L	88.4	Confident	91.8	Very high	83 Å²	83	44 Å²	44	44%	0.435	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-37.2	176.7	-173.3	65.6	0	0	0	111.4	A298 W300 H303	A298-L306 PolarHBondContact O-N 2.93Å; W300-L306 HydrophobicContact CB-CB 4.21Å; W300-L306 HydrophobicContact CB-CD2 3.76Å; W300-L306 HydrophobicContact CG-CD2 3.98Å; H303-L306 HydrophobicContact CB-CB 4.18Å; H303-L306 HydrophobicContact CB-CD1 4.49Å
307	W	89.1	Confident	91.2	Very high	73 Å²	73	48.6 Å²	48.6	28%	0.277	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	150.9	169.9	-57.4	-70.7	0	0	0	109.2	A276 A298 W300 P329 L333	A276-W307 HydrophobicContact CB-CE3 4.27Å; A276-W307 HydrophobicContact CB-CZ3 3.82Å; A298-W307 HydrophobicContact CB-CB 4.05Å; A298-W307 HydrophobicContact CB-CE3 4.04Å; A298-W307 PolarHBondContact N-O 2.94Å; W300-W307 HydrophobicContact CB-CE3 4.13Å; W300-W307 HydrophobicContact CB-CH2 4.06Å; W300-W307 HydrophobicContact CB-CZ3 3.51Å; W300-W307 AromaticContact CD1-CH2 3.84Å; W300-W307 AromaticContact CD2-CH2 3.82Å; W300-W307 HydrophobicContact CD2-CH2 3.82Å; W300-W307 AromaticContact CD2-CZ3 3.82Å; W300-W307 HydrophobicContact CD2-CZ3 3.82Å; W300-W307 HydrophobicContact CE3-CH2 4.43Å; W300-W307 HydrophobicContact CE3-CZ3 4.14Å; W300-W307 AromaticContact CG-CH2 3.66Å; W300-W307 HydrophobicContact CG-CH2 3.66Å; W300-W307 AromaticContact CG-CZ3 3.58Å; W300-W307 HydrophobicContact CG-CZ3 3.58Å; W307-P329 HydrophobicContact CB-CG 4.28Å; W307-L333 HydrophobicContact CB-CD2 4.13Å; W307-L333 HydrophobicContact CE3-CD1 3.98Å; W307-L333 HydrophobicContact CE3-CD2 4.19Å; W307-L333 HydrophobicContact CE3-CG 4.38Å; W307-L333 HydrophobicContact CZ3-CD1 4.1Å
308	D	90.9	Very high	90.2	Very high	71 Å²	71	52.2 Å²	52.2	38%	0.38	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	151.8	173.6	73.8	-77.6	0	0	0	112.9	K295 A296	K295-D308 WeakPolarHBondContact CD-OD2 3.18Å; K295-D308 WeakPolarHBondContact CE-OD2 3.44Å; K295-D308 IonicContact NZ-OD1 2.78Å; K295-D308 IonicContact NZ-OD2 3.15Å; K295-D308 PolarHBondContact NZ-OD2 3.48Å; A296-D308 CarbonylContact O-C 3.56Å; A296-D308 WeakPolarHBondContact O-CA 3.42Å
309	A	91.9	Very high	89.6	Confident	11 Å²	11	55.3 Å²	55.3	9%	0.091	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146.5	171.4	0	0	0	0	0	109.6	M278 K295 A296	M278-A309 HydrophobicContact CE-CB 3.95Å; K295-A309 WeakPolarHBondContact CA-O 3.46Å; A296-A309 PolarHBondContact N-O 2.91Å; A296-A309 PolarHBondContact O-N 3.3Å
310	S	92.3	Very high	89.5	Confident	91 Å²	91	56 Å²	56	64%	0.636	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	131.8	170.4	-64.2	0	0	0	0	110
311	V	94.6	Very high	89.7	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.006	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	134.2	178.8	170.3	0	0	0	0	107.9	R294 A296 V313 Y323 L325 Y335	R294-V311 CarbonylContact C-O 3.53Å; R294-V311 PolarHBondContact N-O 2.81Å; R294-V311 PolarHBondContact O-N 2.83Å; R294-V311 VanDerWaalsContact O-O 3.05Å; A296-V311 HydrophobicContact CB-CG2 3.76Å; V311-V313 HydrophobicContact CG1-CG2 4.01Å; V311-Y323 HydrophobicContact CG1-CD1 4.28Å; V311-L325 HydrophobicContact CG1-CD2 3.85Å; V311-L325 HydrophobicContact CG2-CD2 3.92Å; V311-Y335 HydrophobicContact CG2-CE1 3.97Å
312	Q	94.9	Very high	90.1	Very high	48 Å²	48	49.1 Å²	49.1	22%	0.224	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	140.5	168.4	-57.7	172.5	-62.2	0	0	108.7	W251 I291 V292 Y323 N324	W251-Q312 HydrophobicContact CH2-CB 3.82Å; W251-Q312 HydrophobicContact CZ2-CB 4.25Å; I291-Q312 HydrophobicContact CG2-CB 3.97Å; I291-Q312 HydrophobicContact CG2-CG 4.44Å; V292-Q312 CarbonylContact O-C 3.52Å; V292-Q312 WeakPolarHBondContact O-CA 3.38Å; Q312-Y323 CarbonylContact O-C 3.57Å; Q312-Y323 VanDerWaalsContact O-CA 3.26Å; Q312-Y323 WeakPolarHBondContact O-CA 3.33Å; Q312-N324 HydrophobicContact CB-CB 3.81Å; Q312-N324 HydrophobicContact CG-CB 4.34Å; Q312-N324 PolarHBondContact N-O 3.44Å; Q312-N324 PolarHBondContact O-N 2.92Å; Q312-N324 PolarHBondContact OE1-ND2 3.11Å
313	V	96.1	Very high	90.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137	-179.8	-169.1	0	0	0	0	108.6	L280 P285 V292 R294 V311 Y321 V322 Y323	L280-V313 HydrophobicContact CD1-CG2 4.08Å; L280-V313 HydrophobicContact CD2-CG2 4.35Å; P285-V313 HydrophobicContact CG-CB 4.19Å; P285-V313 HydrophobicContact CG-CG1 3.99Å; V292-V313 PolarHBondContact N-O 3.11Å; V292-V313 PolarHBondContact O-N 2.77Å; R294-V313 HydrophobicContact CB-CG2 4.41Å; R294-V313 HydrophobicContact CG-CG2 4.15Å; V311-V313 HydrophobicContact CG1-CG2 4.01Å; V313-Y321 HydrophobicContact CG1-CD1 4.37Å; V313-V322 WeakPolarHBondContact CA-O 3.45Å; V313-Y323 HydrophobicContact CG1-CD1 4.1Å; V313-Y323 HydrophobicContact CG1-CE1 3.94Å; V313-Y323 HydrophobicContact CG2-CD1 3.89Å; V313-Y323 HydrophobicContact CG2-CE1 4.23Å
314	K	94.6	Very high	91.1	Very high	19 Å²	19	41.7 Å²	41.7	8%	0.083	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	135.4	170.5	179.2	178.8	178.4	-172.8	0	109.8	G207 D221 W251 I291 Y321 V322	G207-K314 PolarHBondContact O-NZ 2.03Å; D221-K314 IonicContact OD1-NZ 3.52Å; D221-K314 PolarHBondContact OD1-NZ 2.7Å; D221-K314 IonicContact OD2-NZ 2.78Å; D221-K314 PolarHBondContact OD2-NZ 3.38Å; W251-K314 HydrophobicContact CZ3-CB 4.32Å; I291-K314 HydrophobicContact CG1-CB 4.11Å; I291-K314 HydrophobicContact CG1-CD 3.98Å; I291-K314 HydrophobicContact CG1-CG 4.34Å; K314-Y321 WeakPolarHBondContact O-CA 3.45Å; K314-V322 HydrophobicContact CB-CG2 3.87Å; K314-V322 PolarHBondContact N-O 3.16Å; K314-V322 PolarHBondContact O-N 3.32Å
315	A	93.1	Very high	91.2	Very high	13 Å²	13	39.2 Å²	39.2	11%	0.107	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	135.5	169.6	0	0	0	0	0	110.3	P285 Y321	P285-A315 HydrophobicContact CG-CB 4.4Å; P285-A315 WeakPolarHBondContact O-CB 3.3Å; A315-Y321 HydrophobicContact CB-CD1 3.91Å; A315-Y321 HydrophobicContact CB-CE1 3.73Å
316	C	90.4	Very high	91.2	Very high	6 Å²	6	39.6 Å²	39.6	4%	0.041	26%	0.258	C	S	.	.			trans	-114.2	153.5	-173.2	-61.7	0	0	0	0	112.3	C223 G318 G319 Y320	C223-C316 VanDerWaalsContact CA-SG 3.58Å; C223-C316 HydrophobicContact CB-CB 3.73Å; C223-C316 WeakPolarHBondContact CB-SG 3.41Å; C223-C316 VanDerWaalsContact SG-CA 3.51Å; C223-C316 WeakPolarHBondContact SG-CB 3.49Å; C223-C316 CovalentContact SG-SG 2.03Å; C223-C316 PolarHBondContact SG-SG 2.03Å; C316-G318 PolarHBondContact O-N 3.08Å; C316-G319 PolarHBondContact O-N 3.05Å; C316-G319 VanDerWaalsContact O-N 3.15Å; C316-Y320 HydrophobicContact CB-CD1 4.24Å; C316-Y320 HydrophobicContact CB-CD2 3.79Å; C316-Y320 HydrophobicContact CB-CE1 3.85Å; C316-Y320 HydrophobicContact CB-CE2 3.36Å; C316-Y320 HydrophobicContact CB-CG 4.2Å; C316-Y320 WeakPolarHBondContact CB-O 3.48Å; C316-Y320 PolarHBondContact N-O 2.9Å; C316-Y320 VanDerWaalsContact SG-CE2 3.52Å
317	A	83	Confident	91.3	Very high	98 Å²	98	37.5 Å²	37.5	81%	0.81	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	128.2	170	0	0	0	0	0	109.8	Y320	A317-Y320 WeakPolarHBondContact O-CE1 3.37Å
318	G	74.3	Confident	91.2	Very high	76 Å²	76	34.8 Å²	34.8	78%	0.784	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	98	11.8	-169.9	0	0	0	0	0	115.1	C316 Y320	C316-G318 PolarHBondContact O-N 3.08Å; G318-Y320 VanDerWaalsContact C-N 3.34Å; G318-Y320 PolarHBondContact O-N 3.36Å
319	G	81.8	Confident	90.7	Very high	65 Å²	65	35.2 Å²	35.2	67%	0.67	25%	0.251	S	S	*	.	S	Bend	trans	79.5	7.2	164.3	0	0	0	0	0	116.2	C316	C316-G319 PolarHBondContact O-N 3.05Å; C316-G319 VanDerWaalsContact O-N 3.15Å
320	Y	89.4	Confident	90.2	Very high	37 Å²	37	39.4 Å²	39.4	15%	0.145	27%	0.269	C	S	.	.			trans	-103	170	176.2	68.1	-88.4	0	0	0	112.2	C223 R253 C316 A317 G318 V322	C223-Y320 PolarHBondContact O-OH 3.37Å; C223-Y320 VanDerWaalsContact O-OH 3.08Å; R253-Y320 HydrophobicContact CG-CD2 4.04Å; R253-Y320 VanDerWaalsContact NE-CD2 3.34Å; C316-Y320 HydrophobicContact CB-CD1 4.24Å; C316-Y320 HydrophobicContact CB-CD2 3.79Å; C316-Y320 HydrophobicContact CB-CE1 3.85Å; C316-Y320 HydrophobicContact CB-CE2 3.36Å; C316-Y320 HydrophobicContact CB-CG 4.2Å; C316-Y320 WeakPolarHBondContact CB-O 3.48Å; C316-Y320 PolarHBondContact N-O 2.9Å; C316-Y320 VanDerWaalsContact SG-CE2 3.52Å; A317-Y320 WeakPolarHBondContact O-CE1 3.37Å; G318-Y320 VanDerWaalsContact C-N 3.34Å; G318-Y320 PolarHBondContact O-N 3.36Å; Y320-V322 HydrophobicContact CD2-CG1 4.31Å; Y320-V322 HydrophobicContact CE2-CG1 4.03Å
321	Y	94.4	Very high	89.3	Confident	49 Å²	49	38.7 Å²	38.7	19%	0.192	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	147.6	-178.4	-56.3	-85	0	0	0	110.9	R261 H284 P285 V313 K314 A315 Y323	R261-Y321 HydrophobicContact CB-CD2 3.89Å; R261-Y321 HydrophobicContact CB-CE2 4.43Å; H284-Y321 HydrophobicContact CB-CD1 3.91Å; H284-Y321 HydrophobicContact CB-CE1 3.5Å; H284-Y321 VanDerWaalsContact CB-CE1 3.5Å; H284-Y321 HydrophobicContact CB-CE2 4.32Å; H284-Y321 HydrophobicContact CB-CG 4.48Å; H284-Y321 AromaticContact CD2-CD1 3.92Å; H284-Y321 AromaticContact CD2-CD2 3.91Å; H284-Y321 AromaticContact CD2-CG 3.71Å; P285-Y321 WeakPolarHBondContact O-CE1 3.37Å; V313-Y321 HydrophobicContact CG1-CD1 4.37Å; K314-Y321 WeakPolarHBondContact O-CA 3.45Å; A315-Y321 HydrophobicContact CB-CD1 3.91Å; A315-Y321 HydrophobicContact CB-CE1 3.73Å; Y321-Y323 WeakPolarHBondContact CB-OH 3.41Å; Y321-Y323 WeakPolarHBondContact O-CE2 3.31Å
322	V	96.4	Very high	88.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	148.3	169.3	-63.3	0	0	0	0	110.2	P222 H226 W251 Y252 R253 V313 K314 Y320	P222-V322 HydrophobicContact CB-CG2 3.84Å; H226-V322 HydrophobicContact CB-CG1 4.34Å; W251-V322 HydrophobicContact CE3-CB 4.09Å; W251-V322 HydrophobicContact CE3-CG2 3.82Å; W251-V322 HydrophobicContact CZ3-CG2 3.94Å; Y252-V322 CarbonylContact O-C 3.33Å; Y252-V322 VanDerWaalsContact O-CA 3.3Å; Y252-V322 WeakPolarHBondContact O-CA 3.37Å; R253-V322 HydrophobicContact CB-CG1 4.16Å; V313-V322 WeakPolarHBondContact CA-O 3.45Å; K314-V322 HydrophobicContact CB-CG2 3.87Å; K314-V322 PolarHBondContact N-O 3.16Å; K314-V322 PolarHBondContact O-N 3.32Å; Y320-V322 HydrophobicContact CD2-CG1 4.31Å; Y320-V322 HydrophobicContact CE2-CG1 4.03Å
323	Y	97	Very high	88.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	125.2	-168.2	-52.6	-101.2	0	0	0	110	W251 Y252 F254 R261 M262 H284 V311 Q312 V313 Y321 L325	W251-Y323 CarbonylContact C-O 3.56Å; W251-Y323 WeakPolarHBondContact CA-O 3.28Å; W251-Y323 VanDerWaalsContact CE3-C 3.42Å; Y252-Y323 PolarHBondContact N-O 2.86Å; Y252-Y323 PolarHBondContact O-N 3.05Å; F254-Y323 AromaticContact CD2-CD2 3.68Å; F254-Y323 HydrophobicContact CD2-CD2 3.68Å; F254-Y323 AromaticContact CD2-CE2 3.48Å; F254-Y323 HydrophobicContact CD2-CE2 3.48Å; F254-Y323 VanDerWaalsContact CD2-CE2 3.48Å; F254-Y323 HydrophobicContact CD2-CG 4.41Å; F254-Y323 HydrophobicContact CE2-CD1 4.42Å; F254-Y323 AromaticContact CE2-CD2 3.75Å; F254-Y323 HydrophobicContact CE2-CD2 3.75Å; F254-Y323 AromaticContact CE2-CE2 3.93Å; F254-Y323 HydrophobicContact CE2-CE2 3.93Å; F254-Y323 HydrophobicContact CE2-CG 4.05Å; R261-Y323 WeakPolarHBondContact CA-OH 3.32Å; R261-Y323 VanDerWaalsContact CB-OH 3.22Å; R261-Y323 WeakPolarHBondContact CB-OH 3.5Å; M262-Y323 HydrophobicContact CB-CE1 4.05Å; M262-Y323 HydrophobicContact CG-CD1 4.01Å; M262-Y323 HydrophobicContact CG-CE1 3.61Å; M262-Y323 PolarHBondContact N-OH 3.5Å; M262-Y323 VanDerWaalsContact N-OH 3.13Å; M262-Y323 HydrophobicContact SD-CD1 3.58Å; M262-Y323 VanDerWaalsContact SD-CD1 3.58Å; M262-Y323 HydrophobicContact SD-CE1 3.73Å; M262-Y323 HydrophobicContact SD-CG 4.43Å; H284-Y323 PolarHBondContact CD2-OH 3.24Å; H284-Y323 AromaticContact NE2-CE1 3.71Å; H284-Y323 AromaticContact NE2-CZ 3.77Å; H284-Y323 PolarHBondContact NE2-OH 2.69Å; V311-Y323 HydrophobicContact CG1-CD1 4.28Å; Q312-Y323 CarbonylContact O-C 3.57Å; Q312-Y323 VanDerWaalsContact O-CA 3.26Å; Q312-Y323 WeakPolarHBondContact O-CA 3.33Å; V313-Y323 HydrophobicContact CG1-CD1 4.1Å; V313-Y323 HydrophobicContact CG1-CE1 3.94Å; V313-Y323 HydrophobicContact CG2-CD1 3.89Å; V313-Y323 HydrophobicContact CG2-CE1 4.23Å; Y321-Y323 WeakPolarHBondContact CB-OH 3.41Å; Y321-Y323 WeakPolarHBondContact O-CE2 3.31Å; Y323-L325 PolarHBondContact O-N 3.34Å
324	N	95.4	Very high	88.1	Confident	26 Å²	26	40.9 Å²	40.9	14%	0.139	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	102.4	165.3	-160.5	-13.5	0	0	0	107.9	G250 W251 Q312	G250-N324 VanDerWaalsContact CA-OD1 3.26Å; G250-N324 WeakPolarHBondContact CA-OD1 3.37Å; G250-N324 CarbonylContact O-C 3.51Å; G250-N324 WeakPolarHBondContact O-CA 3.42Å; G250-N324 PolarHBondContact O-OD1 2.98Å; W251-N324 HydrophobicContact CD2-CB 3.87Å; W251-N324 HydrophobicContact CE3-CB 4.08Å; W251-N324 VanDerWaalsContact CE3-N 3.31Å; W251-N324 HydrophobicContact CG-CB 4.5Å; W251-N324 HydrophobicContact CH2-CB 4.06Å; W251-N324 HydrophobicContact CZ2-CB 3.84Å; W251-N324 HydrophobicContact CZ3-CB 4.17Å; Q312-N324 HydrophobicContact CB-CB 3.81Å; Q312-N324 HydrophobicContact CG-CB 4.34Å; Q312-N324 PolarHBondContact N-O 3.44Å; Q312-N324 PolarHBondContact O-N 2.92Å; Q312-N324 PolarHBondContact OE1-ND2 3.11Å
325	L	95	Very high	88.2	Confident	0 Å²	0	40 Å²	40	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	146.6	-176.2	-59.2	177.4	0	0	0	110.4	L229 L248 R249 G250 Y252 F254 M262 V311 Y323 Y335	L229-L325 HydrophobicContact CD1-CD1 3.95Å; L248-L325 HydrophobicContact CB-CB 4.24Å; L248-L325 HydrophobicContact CD1-CB 4.15Å; L248-L325 HydrophobicContact CD1-CD1 3.84Å; R249-L325 WeakPolarHBondContact CA-O 3.15Å; G250-L325 PolarHBondContact N-O 3.44Å; G250-L325 VanDerWaalsContact N-O 3.14Å; G250-L325 PolarHBondContact O-N 2.98Å; Y252-L325 HydrophobicContact CD2-CB 3.85Å; Y252-L325 HydrophobicContact CD2-CD1 4.07Å; Y252-L325 HydrophobicContact CD2-CG 4.15Å; Y252-L325 HydrophobicContact CE2-CB 4.25Å; Y252-L325 HydrophobicContact CG-CD1 4.26Å; F254-L325 HydrophobicContact CE2-CD1 4.18Å; F254-L325 HydrophobicContact CZ-CD1 3.69Å; M262-L325 HydrophobicContact SD-CD2 4.42Å; V311-L325 HydrophobicContact CG1-CD2 3.85Å; V311-L325 HydrophobicContact CG2-CD2 3.92Å; Y323-L325 PolarHBondContact O-N 3.34Å; L325-Y335 HydrophobicContact CB-CE2 4.25Å; L325-Y335 HydrophobicContact CD1-CD2 4.22Å; L325-Y335 HydrophobicContact CD2-CD1 4.16Å; L325-Y335 HydrophobicContact CD2-CD2 4.3Å; L325-Y335 HydrophobicContact CD2-CE1 4.02Å; L325-Y335 HydrophobicContact CD2-CE2 4.17Å; L325-Y335 HydrophobicContact CD2-CG 4.28Å
326	T	91.8	Very high	88.3	Confident	65 Å²	65	39.3 Å²	39.3	40%	0.399	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	155.4	175.4	51.1	0	0	0	0	109.4	L248 P328 Y335	L248-T326 CarbonylContact O-C 3.59Å; L248-T326 VanDerWaalsContact O-C 3.28Å; L248-T326 VanDerWaalsContact O-CA 3.28Å; L248-T326 WeakPolarHBondContact O-CA 3.03Å; T326-P328 WeakPolarHBondContact O-CD 3.48Å; T326-Y335 WeakPolarHBondContact O-CE2 3.48Å; T326-Y335 PolarHBondContact O-OH 2.85Å
327	A	90.2	Very high	88.5	Confident	39 Å²	39	39.1 Å²	39.1	32%	0.322	26%	0.262	S	S	.	.			trans	-54.2	125.8	175	0	0	0	0	0	110.6	T246 L248	T246-A327 WeakPolarHBondContact O-CB 3.45Å; L248-A327 PolarHBondContact O-N 3.17Å
328	P	86.7	Confident	88.8	Confident	16 Å²	16	35.8 Å²	35.8	10%	0.104	23%	0.231	C	C	.	.			trans	-57.8	155.1	175.6	-27.3	36.9	0	0	0	112.4	D245 M278 T326 E330 L333 Y335	D245-P328 HydrophobicContact CB-CG 4.11Å; D245-P328 WeakPolarHBondContact O-CD 3.24Å; M278-P328 HydrophobicContact SD-CB 3.85Å; M278-P328 HydrophobicContact SD-CG 3.77Å; T326-P328 WeakPolarHBondContact O-CD 3.48Å; P328-E330 PolarHBondContact O-N 3.21Å; P328-E330 VanDerWaalsContact O-N 3.11Å; P328-L333 HydrophobicContact CB-CB 3.59Å; P328-L333 HydrophobicContact CB-CD2 4.01Å; P328-L333 HydrophobicContact CB-CG 4.44Å; P328-L333 HydrophobicContact CG-CB 4.11Å; P328-Y335 HydrophobicContact CG-CE2 3.99Å
329	P	81.5	Confident	89.1	Confident	80 Å²	80	33.4 Å²	33.4	52%	0.519	20%	0.201	S	C	.	.	S	Bend	trans	-67.2	-12.6	-175.1	26.8	-36	0	0	0	114.9	W307 L333	W307-P329 HydrophobicContact CB-CG 4.28Å; P329-L333 HydrophobicContact CG-CD2 4.21Å
330	E	82.1	Confident	89	Confident	98 Å²	98	32.5 Å²	32.5	46%	0.458	19%	0.185	S	C	.	.	S	Bend	trans	-142.5	144.3	-174.2	-78.4	-72.4	-170.6	0	0	110.5	P328 H332 L333	P328-E330 PolarHBondContact O-N 3.21Å; P328-E330 VanDerWaalsContact O-N 3.11Å; E330-H332 PolarHBondContact O-N 2.73Å; E330-L333 HydrophobicContact CB-CD1 3.59Å; E330-L333 PolarHBondContact O-N 2.97Å
331	C	71.9	Confident	88.2	Confident	77 Å²	77	31.8 Å²	31.8	52%	0.52	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	24.1	-172.1	-59.6	0	0	0	0	115.3	C244	C244-C331 VanDerWaalsContact CB-O 3.22Å; C244-C331 WeakPolarHBondContact CB-O 3.27Å
332	H	78.8	Confident	87	Confident	94 Å²	94	31.3 Å²	31.3	44%	0.435	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.8	18.8	-179	-62.6	-41.8	0	0	0	112.7	T274 A275 A276 E330	T274-H332 PolarHBondContact OG1-O 2.81Å; A275-H332 HydrophobicContact CB-CB 4.32Å; A276-H332 WeakPolarHBondContact CB-O 3.01Å; A276-H332 PolarHBondContact N-O 2.89Å; E330-H332 PolarHBondContact O-N 2.73Å
333	L	89.9	Confident	85.1	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.7	-177.7	-75.1	64.4	0	0	0	109.3	C244 D245 A276 M278 A298 W307 P328 P329 E330	C244-L333 WeakPolarHBondContact CA-O 3.37Å; D245-L333 PolarHBondContact N-O 2.88Å; A276-L333 HydrophobicContact CB-CD1 3.71Å; A276-L333 HydrophobicContact CB-CG 3.84Å; A276-L333 WeakPolarHBondContact O-CA 3.29Å; M278-L333 HydrophobicContact CE-CD2 4.48Å; M278-L333 HydrophobicContact CG-CB 4Å; M278-L333 HydrophobicContact CG-CD2 4.3Å; M278-L333 HydrophobicContact CG-CG 4.31Å; M278-L333 HydrophobicContact SD-CB 3.87Å; M278-L333 HydrophobicContact SD-CD2 3.94Å; M278-L333 HydrophobicContact SD-CG 4.36Å; A298-L333 HydrophobicContact CB-CD2 3.69Å; A298-L333 HydrophobicContact CB-CG 4.01Å; W307-L333 HydrophobicContact CB-CD2 4.13Å; W307-L333 HydrophobicContact CE3-CD1 3.98Å; W307-L333 HydrophobicContact CE3-CD2 4.19Å; W307-L333 HydrophobicContact CE3-CG 4.38Å; W307-L333 HydrophobicContact CZ3-CD1 4.1Å; P328-L333 HydrophobicContact CB-CB 3.59Å; P328-L333 HydrophobicContact CB-CD2 4.01Å; P328-L333 HydrophobicContact CB-CG 4.44Å; P328-L333 HydrophobicContact CG-CB 4.11Å; P329-L333 HydrophobicContact CG-CD2 4.21Å; E330-L333 HydrophobicContact CB-CD1 3.59Å; E330-L333 PolarHBondContact O-N 2.97Å
334	A	93.2	Very high	82.9	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	149.5	173.1	0	0	0	0	0	110.9	W233 D245 T274 M278 C336	W233-A334 HydrophobicContact CH2-CB 4.29Å; W233-A334 HydrophobicContact CZ3-CB 3.9Å; D245-A334 VanDerWaalsContact OD2-CA 3.25Å; D245-A334 WeakPolarHBondContact OD2-CA 3.21Å; D245-A334 WeakPolarHBondContact OD2-CB 3.22Å; T274-A334 HydrophobicContact CG2-CB 3.91Å; M278-A334 WeakPolarHBondContact CB-O 3.48Å; M278-A334 PolarHBondContact N-O 3.47Å; A334-C336 PolarHBondContact O-N 2.81Å
335	Y	95.9	Very high	80.9	Confident	0 Å²	0	44 Å²	44	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	117.9	179.7	-64.2	-78.2	0	0	0	111.2	D245 L248 M262 M278 A296 V311 L325 T326 P328	D245-Y335 HydrophobicContact CB-CD2 4.14Å; D245-Y335 HydrophobicContact CB-CE2 4.44Å; D245-Y335 WeakPolarHBondContact OD2-CD2 3.34Å; D245-Y335 PolarHBondContact OD2-N 2.86Å; L248-Y335 HydrophobicContact CD1-CD2 3.78Å; L248-Y335 HydrophobicContact CD1-CE2 4.05Å; M262-Y335 HydrophobicContact CE-CD1 3.64Å; M262-Y335 HydrophobicContact CE-CE1 4.38Å; M262-Y335 HydrophobicContact SD-CD1 4.33Å; M278-Y335 HydrophobicContact CB-CD1 4.05Å; M278-Y335 HydrophobicContact CE-CE1 4.1Å; M278-Y335 HydrophobicContact SD-CD1 4.31Å; M278-Y335 HydrophobicContact SD-CE1 4Å; A296-Y335 HydrophobicContact CB-CD1 4.15Å; A296-Y335 HydrophobicContact CB-CE1 3.62Å; V311-Y335 HydrophobicContact CG2-CE1 3.97Å; L325-Y335 HydrophobicContact CB-CE2 4.25Å; L325-Y335 HydrophobicContact CD1-CD2 4.22Å; L325-Y335 HydrophobicContact CD2-CD1 4.16Å; L325-Y335 HydrophobicContact CD2-CD2 4.3Å; L325-Y335 HydrophobicContact CD2-CE1 4.02Å; L325-Y335 HydrophobicContact CD2-CE2 4.17Å; L325-Y335 HydrophobicContact CD2-CG 4.28Å; T326-Y335 WeakPolarHBondContact O-CE2 3.48Å; T326-Y335 PolarHBondContact O-OH 2.85Å; P328-Y335 HydrophobicContact CG-CE2 3.99Å
336	C	94.9	Very high	78.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.278	C	S	.	.			trans	-92.2	140.6	-175.3	-45	0	0	0	0	112.4	R234 T236 M262 A263 V267 C272 P277 M278 A334	R234-C336 CarbonylContact O-C 3.6Å; R234-C336 WeakPolarHBondContact O-CA 2.86Å; T236-C336 HydrophobicContact CG2-CB 4.06Å; M262-C336 WeakPolarHBondContact CA-O 3.48Å; A263-C336 PolarHBondContact N-O 2.99Å; V267-C336 HydrophobicContact CG2-CB 4.13Å; C272-C336 HydrophobicContact CB-CB 3.9Å; C272-C336 WeakPolarHBondContact CB-SG 3.39Å; C272-C336 VanDerWaalsContact SG-CA 3.59Å; C272-C336 PolarHBondContact SG-SG 2.69Å; P277-C336 VanDerWaalsContact CA-SG 3.54Å; P277-C336 WeakPolarHBondContact CB-SG 3.35Å; M278-C336 PolarHBondContact N-SG 2.81Å; M278-C336 VanDerWaalsContact N-SG 3.38Å; M278-C336 WeakPolarHBondContact O-CB 3.14Å; M278-C336 PolarHBondContact O-N 3.42Å; M278-C336 PolarHBondContact O-SG 2.8Å; M278-C336 VanDerWaalsContact O-SG 3.32Å; A334-C336 PolarHBondContact O-N 2.81Å
337	T	94.3	Very high	77.1	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.012	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-108.7	144.9	177	53.7	0	0	0	0	111.7	R234 T236 F254 G258 G259 R261 P339	R234-T337 HydrophobicContact CB-CG2 4.36Å; R234-T337 PolarHBondContact O-N 2.88Å; R234-T337 PolarHBondContact O-OG1 2.86Å; T236-T337 WeakPolarHBondContact CG2-O 3.49Å; T236-T337 PolarHBondContact N-O 3.2Å; F254-T337 HydrophobicContact CB-CG2 3.65Å; F254-T337 HydrophobicContact CD1-CG2 3.3Å; F254-T337 HydrophobicContact CD2-CG2 3.89Å; F254-T337 HydrophobicContact CE1-CG2 3.86Å; F254-T337 HydrophobicContact CE2-CG2 4.4Å; F254-T337 HydrophobicContact CG-CG2 3.31Å; F254-T337 HydrophobicContact CZ-CG2 4.37Å; G258-T337 PolarHBondContact O-OG1 3.07Å; G258-T337 VanDerWaalsContact O-OG1 3.12Å; G259-T337 PolarHBondContact N-OG1 3.17Å; G259-T337 WeakPolarHBondContact O-CB 3.31Å; R261-T337 VanDerWaalsContact O-CA 3.26Å; R261-T337 WeakPolarHBondContact O-CA 3.21Å; R261-T337 WeakPolarHBondContact O-CB 3.27Å; T337-P339 WeakPolarHBondContact O-CD 3.27Å
338	D	89.2	Confident	75.5	Confident	28 Å²	28	54 Å²	54	15%	0.15	30%	0.3	C	S	.	.			trans	-88.7	113.1	179.8	-179.8	-8.1	0	0	0	109.6	G259 R261 A263 S340 S341	G259-D338 VanDerWaalsContact CA-O 3.23Å; G259-D338 WeakPolarHBondContact CA-O 3.41Å; R261-D338 PolarHBondContact O-N 2.7Å; A263-D338 HydrophobicContact CB-CB 4.33Å; D338-S340 PolarHBondContact O-N 2.91Å; D338-S340 VanDerWaalsContact O-N 3.14Å; D338-S340 WeakPolarHBondContact OD1-CB 3.2Å; D338-S340 PolarHBondContact OD1-N 2.92Å; D338-S340 PolarHBondContact OD1-OG 3.28Å; D338-S340 PolarHBondContact OD2-OG 3.42Å; D338-S341 VanDerWaalsContact O-CB 3.31Å; D338-S341 WeakPolarHBondContact O-CB 3.36Å; D338-S341 PolarHBondContact O-N 2.89Å; D338-S341 PolarHBondContact O-OG 2.85Å
339	P	82	Confident	74.5	Confident	25 Å²	25	54.3 Å²	54.3	16%	0.162	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-64.1	-20.1	-179.3	26.4	-33.1	0	0	0	112.5	S235 T236 E237 G258 T337 S341 V342	S235-P339 WeakPolarHBondContact OG-CB 3.47Å; S235-P339 WeakPolarHBondContact OG-CD 3.41Å; S235-P339 WeakPolarHBondContact OG-CG 3.22Å; T236-P339 VanDerWaalsContact OG1-CD 3.23Å; T236-P339 WeakPolarHBondContact OG1-CD 3.39Å; E237-P339 HydrophobicContact CB-CG 4.38Å; E237-P339 HydrophobicContact CG-CG 3.79Å; G258-P339 WeakPolarHBondContact O-CA 3.46Å; T337-P339 WeakPolarHBondContact O-CD 3.27Å; P339-S341 PolarHBondContact O-N 3.49Å; P339-V342 PolarHBondContact O-N 2.61Å
340	S	78.1	Confident	73.7	Confident	46 Å²	46	51.5 Å²	51.5	32%	0.322	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-69.4	-12.6	173.9	78.4	0	0	0	0	114.3	D338 V342 R361	D338-S340 PolarHBondContact O-N 2.91Å; D338-S340 VanDerWaalsContact O-N 3.14Å; D338-S340 WeakPolarHBondContact OD1-CB 3.2Å; D338-S340 PolarHBondContact OD1-N 2.92Å; D338-S340 PolarHBondContact OD1-OG 3.28Å; D338-S340 PolarHBondContact OD2-OG 3.42Å; S340-V342 VanDerWaalsContact C-N 3.34Å; S340-R361 VanDerWaalsContact CB-CZ 3.45Å
341	S	73.1	Confident	73.1	Confident	23 Å²	23	53.7 Å²	53.7	16%	0.161	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-82.7	-6.9	179.1	68.1	0	0	0	0	115	A260 R261 D338 P339 E343	A260-S341 PolarHBondContact N-OG 3Å; R261-S341 VanDerWaalsContact CG-CB 3.44Å; R261-S341 PolarHBondContact N-OG 3.12Å; R261-S341 VanDerWaalsContact N-OG 3.09Å; D338-S341 VanDerWaalsContact O-CB 3.31Å; D338-S341 WeakPolarHBondContact O-CB 3.36Å; D338-S341 PolarHBondContact O-N 2.89Å; D338-S341 PolarHBondContact O-OG 2.85Å; P339-S341 PolarHBondContact O-N 3.49Å; S341-E343 PolarHBondContact O-N 3.41Å
342	V	69	Low	73.1	Confident	38 Å²	38	51.9 Å²	51.9	23%	0.23	28%	0.283	C	S	.	.	S	Bend	trans	-79.9	108.6	169	-172.5	0	0	0	0	107.3	P339 S340 G344	P339-V342 PolarHBondContact O-N 2.61Å; S340-V342 VanDerWaalsContact C-N 3.34Å; V342-G344 PolarHBondContact O-N 3.36Å
343	E	57.3	Low	72.9	Confident	190 Å²	190	48.5 Å²	48.5	89%	0.888	27%	0.268	S	S	*	.			trans	-65.9	97.9	167.4	-74.7	-166.7	157.4	0	0	108.6	S341 T345	S341-E343 PolarHBondContact O-N 3.41Å; E343-T345 PolarHBondContact O-N 3.35Å
344	G	50.5	Low	72.1	Confident	27 Å²	27	51 Å²	51	28%	0.278	28%	0.281	S	S	.	.			trans	-67	114.2	-176	0	0	0	0	0	112.2	V342 W362	V342-G344 PolarHBondContact O-N 3.36Å; G344-W362 VanDerWaalsContact O-CD1 3.23Å
345	T	53.1	Low	71	Confident	77 Å²	77	52.6 Å²	52.6	47%	0.472	29%	0.292	S	S	.	.			trans	-77.8	147.5	153.9	54.9	0	0	0	0	109	E343 E347 E348	E343-T345 PolarHBondContact O-N 3.35Å; T345-E347 PolarHBondContact O-N 3.35Å; T345-E348 PolarHBondContact O-N 3.07Å
346	C	53.1	Low	69.9	Low	60 Å²	60	56.3 Å²	56.3	41%	0.405	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-67.2	-4.5	175	-65.8	0	0	0	0	113.8	E348 C355 W362	C346-E348 VanDerWaalsContact C-N 3.26Å; C346-C355 WeakPolarHBondContact CA-SG 3.36Å; C346-C355 HydrophobicContact CB-CB 3.59Å; C346-C355 WeakPolarHBondContact CB-SG 3.18Å; C346-C355 WeakPolarHBondContact SG-CB 3.18Å; C346-C355 CovalentContact SG-SG 2.04Å; C346-C355 PolarHBondContact SG-SG 3.05Å; C346-W362 VanDerWaalsContact SG-CE3 3.6Å
347	E	55.3	Low	68.2	Low	181 Å²	181	59.1 Å²	59.1	85%	0.846	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-73.4	-17	174.2	-61.2	-179.4	163.6	0	0	112.6	T345	T345-E347 PolarHBondContact O-N 3.35Å
348	E	55.8	Low	66.5	Low	73 Å²	73	64.1 Å²	64.1	34%	0.341	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-87.6	-11.2	174.9	-74.2	-153.1	-151.6	0	0	114.5	Q257 T345 C346 R424	Q257-E348 WeakPolarHBondContact CG-OE2 3.46Å; Q257-E348 PolarHBondContact NE2-OE2 3.43Å; T345-E348 PolarHBondContact O-N 3.07Å; C346-E348 VanDerWaalsContact C-N 3.26Å; E348-R424 IonicContact OE2-NH1 3.29Å; E348-R424 PolarHBondContact OE2-NH1 3.06Å
349	C	64.9	Low	64.5	Low	21 Å²	21	70.8 Å²	70.8	14%	0.142	39%	0.39	C	S	.	.	S	Bend	trans	-79.8	142.1	174	-60.8	0	0	0	0	110.3	E353 C364	C349-E353 HydrophobicContact CB-CB 4.4Å; C349-C364 WeakPolarHBondContact CA-SG 3.45Å; C349-C364 HydrophobicContact CB-CB 3.81Å; C349-C364 WeakPolarHBondContact CB-SG 3.13Å; C349-C364 VanDerWaalsContact SG-CA 3.55Å; C349-C364 WeakPolarHBondContact SG-CB 3.18Å; C349-C364 CovalentContact SG-SG 2.04Å; C349-C364 PolarHBondContact SG-SG 2.76Å
350	S	65.2	Low	63	Low	22 Å²	22	72.5 Å²	72.5	15%	0.154	41%	0.412	C	S	.	.			trans	-68.2	161.9	176.3	174.2	0	0	0	0	113.4	D352 E353 D425	S350-D352 PolarHBondContact O-N 2.93Å; S350-D352 VanDerWaalsContact O-N 3.14Å; S350-D352 PolarHBondContact OG-N 2.71Å; S350-E353 PolarHBondContact O-N 2.96Å; S350-D425 VanDerWaalsContact CB-CG 3.43Å; S350-D425 WeakPolarHBondContact CB-OD1 3.27Å; S350-D425 WeakPolarHBondContact CB-OD2 3.08Å; S350-D425 PolarHBondContact OG-OD1 3.23Å; S350-D425 PolarHBondContact OG-OD2 3.11Å
351	I	69.1	Low	61.6	Low	144 Å²	144	77.5 Å²	77.5	74%	0.738	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.2	-33.1	160.9	-56.6	174.4	0	0	0	111.8	K367	I351-K367 VanDerWaalsContact O-CE 3.3Å; I351-K367 WeakPolarHBondContact O-CE 3.32Å; I351-K367 PolarHBondContact O-NZ 3.15Å
352	D	71.6	Confident	60.9	Low	39 Å²	39	82.2 Å²	82.2	21%	0.209	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-4.8	-177.6	-68	-9.2	0	0	0	113.9	S350 K367 F370 C396	S350-D352 PolarHBondContact O-N 2.93Å; S350-D352 VanDerWaalsContact O-N 3.14Å; S350-D352 PolarHBondContact OG-N 2.71Å; D352-K367 PolarHBondContact O-N 3.48Å; D352-F370 HydrophobicContact CB-CE2 3.82Å; D352-F370 HydrophobicContact CB-CZ 3.81Å; D352-C396 HydrophobicContact CB-CB 4.38Å
353	E	75.9	Confident	60.6	Low	23 Å²	23	84.8 Å²	84.8	11%	0.107	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	136.3	179.4	-65.8	-179.6	150.3	0	0	111.3	C349 S350 C364 Q365 K395 C396	C349-E353 HydrophobicContact CB-CB 4.4Å; S350-E353 PolarHBondContact O-N 2.96Å; E353-C364 HydrophobicContact CB-CB 3.92Å; E353-C364 HydrophobicContact CG-CB 4.37Å; E353-C364 WeakPolarHBondContact OE2-CB 3.28Å; E353-Q365 CarbonylContact C-O 3.3Å; E353-K395 IonicContact OE1-NZ 2.83Å; E353-K395 PolarHBondContact OE1-NZ 3.01Å; E353-C396 VanDerWaalsContact CG-SG 3.55Å
354	D	72.1	Confident	61.3	Low	51 Å²	51	77.9 Å²	77.9	27%	0.273	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	130.2	165.1	-86.4	-18.2	0	0	0	110	K356 Q365 K367	D354-K356 HydrophobicContact CB-CD 4.21Å; D354-K356 HydrophobicContact CB-CG 4.37Å; D354-K356 PolarHBondContact O-N 2.98Å; D354-K356 WeakPolarHBondContact OD2-CE 3.38Å; D354-K356 IonicContact OD2-NZ 3.66Å; D354-K356 PolarHBondContact OD2-NZ 3.24Å; D354-Q365 WeakPolarHBondContact CA-O 3.47Å; D354-Q365 WeakPolarHBondContact CB-O 3.46Å; D354-Q365 PolarHBondContact N-O 2.9Å; D354-Q365 PolarHBondContact O-N 3.01Å; D354-K367 HydrophobicContact CB-CG 4.43Å; D354-K367 WeakPolarHBondContact OD1-CE 3.39Å; D354-K367 WeakPolarHBondContact OD1-CG 3.2Å
355	C	71.6	Confident	62.4	Low	35 Å²	35	80.7 Å²	80.7	24%	0.236	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	112.8	165.6	-166	0	0	0	0	109.8	C346	C346-C355 WeakPolarHBondContact CA-SG 3.36Å; C346-C355 HydrophobicContact CB-CB 3.59Å; C346-C355 WeakPolarHBondContact CB-SG 3.18Å; C346-C355 WeakPolarHBondContact SG-CB 3.18Å; C346-C355 CovalentContact SG-SG 2.04Å; C346-C355 PolarHBondContact SG-SG 3.05Å
356	K	71.6	Confident	63.6	Low	77 Å²	77	78.1 Å²	78.1	34%	0.335	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.9	177.7	-60.6	-61.3	-174.9	-159.6	0	110.7	D354 W362 H363 Q365	D354-K356 HydrophobicContact CB-CD 4.21Å; D354-K356 HydrophobicContact CB-CG 4.37Å; D354-K356 PolarHBondContact O-N 2.98Å; D354-K356 WeakPolarHBondContact OD2-CE 3.38Å; D354-K356 IonicContact OD2-NZ 3.66Å; D354-K356 PolarHBondContact OD2-NZ 3.24Å; K356-W362 WeakPolarHBondContact O-CA 3.34Å; K356-H363 VanDerWaalsContact CB-CE1 3.45Å; K356-H363 WeakPolarHBondContact CB-CE1 3.32Å; K356-H363 PolarHBondContact N-O 3.02Å; K356-H363 PolarHBondContact O-N 3.35Å; K356-H363 PolarHBondContact O-ND1 2.83Å; K356-Q365 HydrophobicContact CG-CB 4.11Å
357	S	58.9	Low	64.7	Low	59 Å²	59	78.5 Å²	78.5	41%	0.413	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	135.9	169.6	-163.6	0	0	0	0	110.6
358	N	58.9	Low	65.2	Low	107 Å²	107	77.9 Å²	77.9	57%	0.572	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.7	116.3	165.5	-163.9	-0.1	0	0	0	108.7	G360 R361	N358-G360 PolarHBondContact O-N 3.02Å; N358-G360 VanDerWaalsContact O-N 3.17Å; N358-R361 PolarHBondContact N-O 2.79Å; N358-R361 PolarHBondContact O-N 3.13Å
359	N	48.3	Very low	65.4	Low	169 Å²	169	81.3 Å²	81.3	90%	0.904	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	39.3	-174.9	-64.8	-19.3	0	0	0	114.8	R361	N359-R361 VanDerWaalsContact C-N 3.32Å; N359-R361 PolarHBondContact O-N 2.79Å
360	G	49.7	Very low	65.2	Low	61 Å²	61	82.4 Å²	82.4	63%	0.629	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	-6.6	179.4	0	0	0	0	0	115.2	N358	N358-G360 PolarHBondContact O-N 3.02Å; N358-G360 VanDerWaalsContact O-N 3.17Å
361	R	48.5	Very low	64.8	Low	150 Å²	150	87.9 Å²	87.9	57%	0.566	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	122.2	171.9	-175.7	170.3	171.7	-177.2	-7.9	110	S340 N358 N359	S340-R361 VanDerWaalsContact CB-CZ 3.45Å; N358-R361 PolarHBondContact N-O 2.79Å; N358-R361 PolarHBondContact O-N 3.13Å; N359-R361 VanDerWaalsContact C-N 3.32Å; N359-R361 PolarHBondContact O-N 2.79Å
362	W	58.7	Low	64.5	Low	123 Å²	123	82.1 Å²	82.1	47%	0.466	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	144.7	176.7	-59	97.9	0	0	0	111.1	G344 C346 K356	G344-W362 VanDerWaalsContact O-CD1 3.23Å; C346-W362 VanDerWaalsContact SG-CE3 3.6Å; K356-W362 WeakPolarHBondContact O-CA 3.34Å
363	H	63.5	Low	64	Low	91 Å²	91	86 Å²	86	42%	0.421	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	148.2	168.6	67.1	-64.2	0	0	0	109.7	K356	K356-H363 VanDerWaalsContact CB-CE1 3.45Å; K356-H363 WeakPolarHBondContact CB-CE1 3.32Å; K356-H363 PolarHBondContact N-O 3.02Å; K356-H363 PolarHBondContact O-N 3.35Å; K356-H363 PolarHBondContact O-ND1 2.83Å
364	C	70.9	Confident	63.5	Low	45 Å²	45	88.7 Å²	88.7	30%	0.304	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	130.7	174.4	-47.5	0	0	0	0	109.2	C349 E353	C349-C364 WeakPolarHBondContact CA-SG 3.45Å; C349-C364 HydrophobicContact CB-CB 3.81Å; C349-C364 WeakPolarHBondContact CB-SG 3.13Å; C349-C364 VanDerWaalsContact SG-CA 3.55Å; C349-C364 WeakPolarHBondContact SG-CB 3.18Å; C349-C364 CovalentContact SG-SG 2.04Å; C349-C364 PolarHBondContact SG-SG 2.76Å; E353-C364 HydrophobicContact CB-CB 3.92Å; E353-C364 HydrophobicContact CG-CB 4.37Å; E353-C364 WeakPolarHBondContact OE2-CB 3.28Å
365	Q	74.3	Confident	63.2	Low	87 Å²	87	88.9 Å²	88.9	41%	0.407	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	121.5	178.8	179.9	-179.5	25.8	0	0	108.5	E353 D354 K356 K367	E353-Q365 CarbonylContact C-O 3.3Å; D354-Q365 WeakPolarHBondContact CA-O 3.47Å; D354-Q365 WeakPolarHBondContact CB-O 3.46Å; D354-Q365 PolarHBondContact N-O 2.9Å; D354-Q365 PolarHBondContact O-N 3.01Å; K356-Q365 HydrophobicContact CG-CB 4.11Å; Q365-K367 PolarHBondContact O-N 3.48Å
366	C	77.4	Confident	62.9	Low	22 Å²	22	92 Å²	92	15%	0.149	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-43.3	133.3	176.5	-63.7	0	0	0	0	113	C396	C366-C396 WeakPolarHBondContact CA-SG 3.35Å; C366-C396 HydrophobicContact CB-CB 3.57Å; C366-C396 WeakPolarHBondContact CB-SG 3.41Å; C366-C396 WeakPolarHBondContact SG-CA 3.43Å; C366-C396 WeakPolarHBondContact SG-CB 3.44Å; C366-C396 CovalentContact SG-SG 2.04Å; C366-C396 PolarHBondContact SG-SG 2.88Å
367	K	75.7	Confident	62.7	Low	68 Å²	68	93.7 Å²	93.7	30%	0.296	50%	0.499	S	S	.	.			trans	-58.5	142	-178.9	-74.3	175.9	176.6	174.2	0	111.4	I351 D352 D354 Q365 D369 F370	I351-K367 VanDerWaalsContact O-CE 3.3Å; I351-K367 WeakPolarHBondContact O-CE 3.32Å; I351-K367 PolarHBondContact O-NZ 3.15Å; D352-K367 PolarHBondContact O-N 3.48Å; D354-K367 HydrophobicContact CB-CG 4.43Å; D354-K367 WeakPolarHBondContact OD1-CE 3.39Å; D354-K367 WeakPolarHBondContact OD1-CG 3.2Å; Q365-K367 PolarHBondContact O-N 3.48Å; K367-D369 PolarHBondContact O-N 3.38Å; K367-F370 HydrophobicContact CB-CD2 4.26Å; K367-F370 HydrophobicContact CB-CE2 4.14Å; K367-F370 WeakPolarHBondContact O-CD2 3.25Å
368	Q	65.6	Low	63.5	Low	168 Å²	168	91.4 Å²	91.4	79%	0.785	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-9.7	179.3	-66.6	-174.1	-17.3	0	0	113.2	F370	Q368-F370 VanDerWaalsContact C-N 3.28Å; Q368-F370 PolarHBondContact O-N 3.34Å
369	D	61.1	Low	64.2	Low	146 Å²	146	92 Å²	92	78%	0.781	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-11.2	-177.9	-63.4	-36.5	0	0	0	114.2	K367 N371	K367-D369 PolarHBondContact O-N 3.38Å; D369-N371 PolarHBondContact O-N 3.21Å
370	F	60.1	Low	66	Low	43 Å²	43	89.8 Å²	89.8	19%	0.189	47%	0.465	C	S	.	.			trans	-74.7	68.5	174	-68.1	-70.8	0	0	0	112	D352 K367 Q368 I372 C396 Q397 S400	D352-F370 HydrophobicContact CB-CE2 3.82Å; D352-F370 HydrophobicContact CB-CZ 3.81Å; K367-F370 HydrophobicContact CB-CD2 4.26Å; K367-F370 HydrophobicContact CB-CE2 4.14Å; K367-F370 WeakPolarHBondContact O-CD2 3.25Å; Q368-F370 VanDerWaalsContact C-N 3.28Å; Q368-F370 PolarHBondContact O-N 3.34Å; F370-I372 HydrophobicContact CD1-CD1 4.11Å; F370-I372 PolarHBondContact O-N 3.32Å; F370-C396 HydrophobicContact CD2-CB 4.35Å; F370-C396 HydrophobicContact CE2-CB 4.29Å; F370-Q397 HydrophobicContact CD1-CG 4.09Å; F370-Q397 HydrophobicContact CE1-CG 4.2Å; F370-S400 WeakPolarHBondContact O-CB 3.49Å; F370-S400 PolarHBondContact O-OG 3.34Å
371	N	57.3	Low	67.9	Low	137 Å²	137	92.5 Å²	92.5	73%	0.733	46%	0.456	S	S	*	.			trans	-76.5	49.1	174	-162.3	8.4	0	0	0	112.1	D369 T373	D369-N371 PolarHBondContact O-N 3.21Å; N371-T373 PolarHBondContact O-N 3.11Å
372	I	63	Low	70	Confident	24 Å²	24	88.5 Å²	88.5	12%	0.123	45%	0.446	C	S	.	.			trans	-82.7	104.1	178.3	-58.3	175.7	0	0	0	107.4	F370 D374 L377 Q397 L401	F370-I372 HydrophobicContact CD1-CD1 4.11Å; F370-I372 PolarHBondContact O-N 3.32Å; I372-D374 WeakPolarHBondContact CG2-O 3.46Å; I372-L377 HydrophobicContact CG2-CB 4.21Å; I372-Q397 HydrophobicContact CD1-CB 3.68Å; I372-Q397 HydrophobicContact CD1-CG 3.64Å; I372-L401 HydrophobicContact CG2-CD1 4.15Å; I372-L401 HydrophobicContact CG2-CD2 4.06Å; I372-L401 HydrophobicContact CG2-CG 4.04Å; I372-L401 WeakPolarHBondContact O-CD2 3.27Å
373	T	61.1	Low	71.6	Confident	120 Å²	120	85.9 Å²	85.9	74%	0.736	44%	0.439	S	S	*	.			trans	-105.2	-10	178.2	45.2	0	0	0	0	112.9	N371	N371-T373 PolarHBondContact O-N 3.11Å
374	D	65.6	Low	72.8	Confident	79 Å²	79	84.8 Å²	84.8	42%	0.422	44%	0.44	S	S	.	.			trans	-125.1	128	178.7	-172.3	-17.6	0	0	0	109.6	I372 S376 L377	I372-D374 WeakPolarHBondContact CG2-O 3.46Å; D374-S376 PolarHBondContact O-N 3.17Å; D374-S376 WeakPolarHBondContact OD1-CB 3.22Å; D374-S376 PolarHBondContact OD1-N 3.26Å; D374-S376 PolarHBondContact OD1-OG 3.21Å; D374-L377 HydrophobicContact CB-CD1 4.39Å; D374-L377 WeakPolarHBondContact O-CB 3.45Å; D374-L377 PolarHBondContact O-N 2.93Å
375	I	65.9	Low	73.2	Confident	55 Å²	55	84.2 Å²	84.2	28%	0.282	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-61.4	-23.9	178.7	-61.5	139.6	0	0	0	111.5	L377 L378 L401 L466 I468	I375-L377 PolarHBondContact O-N 2.82Å; I375-L378 WeakPolarHBondContact O-CB 3.31Å; I375-L378 PolarHBondContact O-N 2.83Å; I375-L378 VanDerWaalsContact O-N 3.07Å; I375-L401 HydrophobicContact CG1-CD1 4.34Å; I375-L401 HydrophobicContact CG1-CD2 4.28Å; I375-L466 HydrophobicContact CD1-CD2 3.68Å; I375-I468 HydrophobicContact CB-CD1 4.44Å; I375-I468 HydrophobicContact CD1-CD1 3.65Å; I375-I468 HydrophobicContact CD1-CG1 3.8Å; I375-I468 HydrophobicContact CG1-CD1 3.61Å; I375-I468 HydrophobicContact CG1-CG1 4.19Å; I375-I468 HydrophobicContact CG2-CD1 3.93Å; I375-I468 HydrophobicContact CG2-CG1 4.12Å; I375-I468 HydrophobicContact CG2-CG2 3.73Å
376	S	63.8	Low	73.3	Confident	102 Å²	102	84.4 Å²	84.4	71%	0.713	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-62.8	-16.4	174.5	-47.1	0	0	0	0	113.4	D374	D374-S376 PolarHBondContact O-N 3.17Å; D374-S376 WeakPolarHBondContact OD1-CB 3.22Å; D374-S376 PolarHBondContact OD1-N 3.26Å; D374-S376 PolarHBondContact OD1-OG 3.21Å
377	L	67.6	Low	73.2	Confident	112 Å²	112	88.3 Å²	88.3	59%	0.586	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-99.8	4.8	177.2	-59.2	171.9	0	0	0	113	I372 D374 I375 E379	I372-L377 HydrophobicContact CG2-CB 4.21Å; D374-L377 HydrophobicContact CB-CD1 4.39Å; D374-L377 WeakPolarHBondContact O-CB 3.45Å; D374-L377 PolarHBondContact O-N 2.93Å; I375-L377 PolarHBondContact O-N 2.82Å; L377-E379 PolarHBondContact O-N 3.3Å
378	L	76.3	Confident	73.7	Confident	11 Å²	11	88.8 Å²	88.8	6%	0.058	48%	0.484	C	S	.	.			trans	-71.6	119.5	179.1	-172.2	65.8	0	0	0	110.6	I375 H380 L393 Q397 L398 L401	I375-L378 WeakPolarHBondContact O-CB 3.31Å; I375-L378 PolarHBondContact O-N 2.83Å; I375-L378 VanDerWaalsContact O-N 3.07Å; L378-H380 PolarHBondContact O-N 3.47Å; L378-H380 PolarHBondContact O-ND1 3Å; L378-L393 HydrophobicContact CD2-CD1 4.03Å; L378-L393 HydrophobicContact CD2-CD2 3.92Å; L378-L393 HydrophobicContact CD2-CG 4.4Å; L378-L393 HydrophobicContact CG-CD2 4.32Å; L378-Q397 HydrophobicContact CD1-CB 3.57Å; L378-L398 HydrophobicContact CD1-CD2 4.22Å; L378-L398 HydrophobicContact CD1-CG 4.45Å; L378-L398 HydrophobicContact CD2-CD2 3.89Å; L378-L401 HydrophobicContact CD1-CD1 4.16Å
379	E	73.9	Confident	74.8	Confident	120 Å²	120	80.8 Å²	80.8	56%	0.561	45%	0.446	S	S	*	.			trans	-71.8	129.3	175.4	-63.7	-175.3	142.9	0	0	109.6	L377 Q397	L377-E379 PolarHBondContact O-N 3.3Å; E379-Q397 PolarHBondContact OE2-NE2 2.87Å
380	H	86.1	Confident	76.2	Confident	121 Å²	121	75.1 Å²	75.1	56%	0.56	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.9	135.9	-177	59.5	-81.6	0	0	0	109.3	L378 S392 L393	L378-H380 PolarHBondContact O-N 3.47Å; L378-H380 PolarHBondContact O-ND1 3Å; H380-S392 WeakPolarHBondContact CA-O 3.48Å; H380-L393 HydrophobicContact CB-CD2 3.55Å
381	R	89.4	Confident	77.8	Confident	118 Å²	118	73.2 Å²	73.2	45%	0.445	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	115.1	-177.4	-175.4	170	-179.6	-91.4	-8.7	108.9	E383 V391 S392 W426	R381-E383 IonicContact CZ-OE1 3.23Å; R381-E383 IonicContact NH1-OE1 2.95Å; R381-E383 PolarHBondContact NH1-OE1 3.38Å; R381-E383 IonicContact NH2-OE1 2.74Å; R381-E383 PolarHBondContact NH2-OE1 2.76Å; R381-V391 WeakPolarHBondContact O-CA 3.33Å; R381-S392 PolarHBondContact N-O 3.02Å; R381-S392 PolarHBondContact O-N 3Å; R381-W426 HydrophobicContact CB-CH2 4.42Å; R381-W426 HydrophobicContact CB-CZ3 4.23Å
382	L	93.3	Very high	79.3	Confident	67 Å²	67	66.7 Å²	66.7	35%	0.351	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	115.7	176.7	174.3	65.5	0	0	0	109.2	V391 F472	L382-V391 HydrophobicContact CD1-CG2 3.74Å; L382-F472 HydrophobicContact CD1-CB 4.26Å; L382-F472 HydrophobicContact CD1-CD2 3.76Å; L382-F472 HydrophobicContact CD1-CG 4.35Å; L382-F472 HydrophobicContact CD2-CB 4.38Å
383	E	90.7	Very high	80.5	Confident	68 Å²	68	65.6 Å²	65.6	32%	0.318	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	118.5	171.6	-64.5	-175.4	154.2	0	0	110.2	R381 G385 M389 K390	R381-E383 IonicContact CZ-OE1 3.23Å; R381-E383 IonicContact NH1-OE1 2.95Å; R381-E383 PolarHBondContact NH1-OE1 3.38Å; R381-E383 IonicContact NH2-OE1 2.74Å; R381-E383 PolarHBondContact NH2-OE1 2.76Å; E383-G385 PolarHBondContact O-N 2.92Å; E383-M389 WeakPolarHBondContact O-CA 3.37Å; E383-K390 HydrophobicContact CB-CB 4.28Å; E383-K390 PolarHBondContact N-O 3.37Å; E383-K390 PolarHBondContact O-N 2.96Å; E383-K390 WeakPolarHBondContact OE2-CE 3.48Å; E383-K390 IonicContact OE2-NZ 2.71Å
384	C	89.9	Confident	81.7	Confident	67 Å²	67	60 Å²	60	45%	0.453	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	82.3	175.1	-60	0	0	0	0	110.2	C474	C384-C474 WeakPolarHBondContact CA-SG 3.48Å; C384-C474 HydrophobicContact CB-CB 3.63Å; C384-C474 WeakPolarHBondContact CB-SG 3.3Å; C384-C474 VanDerWaalsContact SG-CA 3.58Å; C384-C474 WeakPolarHBondContact SG-CB 3.38Å; C384-C474 CovalentContact SG-SG 2.03Å; C384-C474 PolarHBondContact SG-SG 2.87Å
385	G	79.6	Confident	82.5	Confident	33 Å²	33	59.6 Å²	59.6	34%	0.34	33%	0.327	S	S	.	.			trans	-71.6	165.2	175.1	0	0	0	0	0	112.5	E383 N387 D388 Y476	E383-G385 PolarHBondContact O-N 2.92Å; G385-N387 VanDerWaalsContact C-N 3.3Å; G385-N387 PolarHBondContact O-N 2.78Å; G385-D388 CarbonylContact C-O 3.46Å; G385-D388 WeakPolarHBondContact CA-O 3.44Å; G385-D388 PolarHBondContact N-O 3.08Å; G385-Y476 WeakPolarHBondContact O-CE1 3.42Å; G385-Y476 PolarHBondContact O-OH 2.86Å
386	A	75.1	Confident	83.2	Confident	91 Å²	91	57.2 Å²	57.2	75%	0.752	32%	0.315	S	S	*	.	S	Bend	trans	-64.8	-29.5	-174.7	0	0	0	0	0	114.4
387	N	75.1	Confident	84	Confident	104 Å²	104	52.6 Å²	52.6	56%	0.556	28%	0.282	S	S	*	.	S	Bend	trans	-116.2	-19.7	-179.5	-66.9	-52.3	0	0	0	113.5	G385 A433	G385-N387 VanDerWaalsContact C-N 3.3Å; G385-N387 PolarHBondContact O-N 2.78Å; N387-A433 WeakPolarHBondContact O-CB 3.3Å; N387-A433 PolarHBondContact O-N 2.88Å
388	D	86.4	Confident	84.7	Confident	78 Å²	78	47.2 Å²	47.2	42%	0.417	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	150.3	-164.9	-56.4	-79.8	0	0	0	110.3	G385 T431 P432	G385-D388 CarbonylContact C-O 3.46Å; G385-D388 WeakPolarHBondContact CA-O 3.44Å; G385-D388 PolarHBondContact N-O 3.08Å; D388-T431 CarbonylContact C-O 3.51Å; D388-T431 WeakPolarHBondContact CA-O 3.48Å; D388-P432 WeakPolarHBondContact OD1-CA 3.35Å
389	M	89.8	Confident	84.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.9	174.2	-52.2	-178	-68.8	0	0	108.4	E383 V430 T431 A433 T440 F472 C474	E383-M389 WeakPolarHBondContact O-CA 3.37Å; M389-V430 WeakPolarHBondContact O-CA 3.33Å; M389-T431 HydrophobicContact CB-CG2 4.19Å; M389-T431 HydrophobicContact CE-CG2 3.63Å; M389-T431 PolarHBondContact N-O 3.45Å; M389-T431 PolarHBondContact O-N 2.96Å; M389-A433 HydrophobicContact CG-CB 4.26Å; M389-T440 HydrophobicContact CE-CG2 3.64Å; M389-F472 HydrophobicContact CB-CE2 4.32Å; M389-F472 HydrophobicContact CE-CE2 4.14Å; M389-F472 HydrophobicContact SD-CE2 4.5Å; M389-C474 HydrophobicContact CG-CB 3.95Å; M389-C474 HydrophobicContact SD-CB 3.54Å; M389-C474 VanDerWaalsContact SD-CB 3.54Å
390	K	90.8	Very high	85.1	Confident	28 Å²	28	48.9 Å²	48.9	12%	0.122	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132	172.8	-173	167.6	62.6	165.7	0	110	E383 D420 V429 V430	E383-K390 HydrophobicContact CB-CB 4.28Å; E383-K390 PolarHBondContact N-O 3.37Å; E383-K390 PolarHBondContact O-N 2.96Å; E383-K390 WeakPolarHBondContact OE2-CE 3.48Å; E383-K390 IonicContact OE2-NZ 2.71Å; K390-D420 WeakPolarHBondContact CE-OD2 3.48Å; K390-D420 IonicContact NZ-OD1 2.74Å; K390-D420 IonicContact NZ-OD2 3.65Å; K390-D420 PolarHBondContact NZ-OD2 2.84Å; K390-V429 WeakPolarHBondContact CA-O 3.45Å; K390-V430 HydrophobicContact CB-CG1 3.94Å; K390-V430 HydrophobicContact CD-CG1 3.96Å; K390-V430 HydrophobicContact CG-CG1 3.8Å
391	V	92.3	Very high	84.7	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.018	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.8	170.1	-177	0	0	0	0	108.5	R381 L382 S428 V429 L455 F472	R381-V391 WeakPolarHBondContact O-CA 3.33Å; L382-V391 HydrophobicContact CD1-CG2 3.74Å; V391-S428 CarbonylContact O-C 3.59Å; V391-S428 VanDerWaalsContact O-CA 3.27Å; V391-S428 WeakPolarHBondContact O-CA 3.33Å; V391-V429 PolarHBondContact N-O 3.33Å; V391-V429 PolarHBondContact O-N 2.04Å; V391-L455 HydrophobicContact CB-CD2 4.41Å; V391-L455 HydrophobicContact CG1-CD2 3.69Å; V391-F472 HydrophobicContact CG2-CB 4.29Å; V391-F472 HydrophobicContact CG2-CD1 3.72Å; V391-F472 HydrophobicContact CG2-CD2 3.5Å; V391-F472 HydrophobicContact CG2-CE1 3.75Å; V391-F472 HydrophobicContact CG2-CE2 3.54Å; V391-F472 HydrophobicContact CG2-CG 3.57Å; V391-F472 HydrophobicContact CG2-CZ 3.65Å
392	S	90.4	Very high	84.1	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	138	-177	-57.4	0	0	0	0	110.8	H380 R381 V427 S428	H380-S392 WeakPolarHBondContact CA-O 3.48Å; R381-S392 PolarHBondContact N-O 3.02Å; R381-S392 PolarHBondContact O-N 3Å; S392-V427 CarbonylContact C-O 3.51Å; S392-V427 WeakPolarHBondContact CA-O 3.39Å; S392-S428 WeakPolarHBondContact CB-OG 3.27Å; S392-S428 PolarHBondContact OG-OG 3.07Å
393	L	88.4	Confident	83.4	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	144.6	174.1	-60.6	-179.7	0	0	0	110.9	L378 H380 K395 L398 M408 V427 L455 L457 I470	L378-L393 HydrophobicContact CD2-CD1 4.03Å; L378-L393 HydrophobicContact CD2-CD2 3.92Å; L378-L393 HydrophobicContact CD2-CG 4.4Å; L378-L393 HydrophobicContact CG-CD2 4.32Å; H380-L393 HydrophobicContact CB-CD2 3.55Å; L393-K395 PolarHBondContact O-N 3.08Å; L393-L398 HydrophobicContact CB-CD1 3.89Å; L393-L398 HydrophobicContact CB-CG 4.37Å; L393-L398 HydrophobicContact CD1-CD2 4.35Å; L393-M408 HydrophobicContact CB-CE 4.22Å; L393-M408 HydrophobicContact CB-SD 4.36Å; L393-M408 HydrophobicContact CD1-CE 3.82Å; L393-M408 HydrophobicContact CD1-SD 3.95Å; L393-M408 HydrophobicContact CG-CE 3.87Å; L393-M408 HydrophobicContact CG-SD 4.4Å; L393-V427 PolarHBondContact N-O 3.07Å; L393-V427 PolarHBondContact O-N 2.92Å; L393-L455 HydrophobicContact CD1-CD2 3.96Å; L393-L455 HydrophobicContact CG-CD2 4.28Å; L393-L457 HydrophobicContact CD1-CD2 4.42Å; L393-I470 HydrophobicContact CD1-CD1 4.04Å; L393-I470 HydrophobicContact CD2-CD1 3.89Å
394	G	86	Confident	82.5	Confident	2 Å²	2	42.3 Å²	42.3	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	116.1	-177.9	0	0	0	0	0	113	C396 Q397 L398 D425	G394-C396 VanDerWaalsContact C-N 3.34Å; G394-C396 PolarHBondContact O-N 3.35Å; G394-Q397 WeakPolarHBondContact O-CB 3.43Å; G394-Q397 PolarHBondContact O-N 3.49Å; G394-Q397 VanDerWaalsContact O-N 3.11Å; G394-L398 WeakPolarHBondContact O-CG 3.01Å; G394-L398 PolarHBondContact O-N 2.93Å; G394-D425 CarbonylContact C-O 3.49Å
395	K	82.4	Confident	81.8	Confident	71 Å²	71	46 Å²	46	31%	0.309	27%	0.265	S	S	.	.	H	α-helix	trans	-52.2	-45.7	179.2	176.1	-170.1	166.4	-144.8	0	112.7	E353 L393 K399 R424 D425 V427	E353-K395 IonicContact OE1-NZ 2.83Å; E353-K395 PolarHBondContact OE1-NZ 3.01Å; L393-K395 PolarHBondContact O-N 3.08Å; K395-K399 WeakPolarHBondContact O-CB 2.95Å; K395-K399 PolarHBondContact O-N 3.39Å; K395-R424 WeakPolarHBondContact CD-O 3.49Å; K395-D425 WeakPolarHBondContact CB-O 3.45Å; K395-D425 PolarHBondContact N-O 3.32Å; K395-V427 HydrophobicContact CB-CG2 4.22Å
396	C	80.1	Confident	81.7	Confident	5 Å²	5	46.5 Å²	46.5	3%	0.034	26%	0.262	C	S	.	.	H	α-helix	trans	-73.2	-31.9	179	-74.8	0	0	0	0	113.5	D352 E353 C366 F370 G394 K399 S400	D352-C396 HydrophobicContact CB-CB 4.38Å; E353-C396 VanDerWaalsContact CG-SG 3.55Å; C366-C396 WeakPolarHBondContact CA-SG 3.35Å; C366-C396 HydrophobicContact CB-CB 3.57Å; C366-C396 WeakPolarHBondContact CB-SG 3.41Å; C366-C396 WeakPolarHBondContact SG-CA 3.43Å; C366-C396 WeakPolarHBondContact SG-CB 3.44Å; C366-C396 CovalentContact SG-SG 2.04Å; C366-C396 PolarHBondContact SG-SG 2.88Å; F370-C396 HydrophobicContact CD2-CB 4.35Å; F370-C396 HydrophobicContact CE2-CB 4.29Å; G394-C396 VanDerWaalsContact C-N 3.34Å; G394-C396 PolarHBondContact O-N 3.35Å; C396-K399 PolarHBondContact O-N 3.32Å; C396-S400 PolarHBondContact O-N 3.05Å; C396-S400 PolarHBondContact O-OG 3.24Å
397	Q	81.4	Confident	81.9	Confident	5 Å²	5	46.1 Å²	46.1	2%	0.023	24%	0.243	C	C	.	.	H	α-helix	trans	-70.1	-38.5	174.9	-56.3	179.3	-5.9	0	0	111.4	F370 I372 L378 E379 G394 S400 L401	F370-Q397 HydrophobicContact CD1-CG 4.09Å; F370-Q397 HydrophobicContact CE1-CG 4.2Å; I372-Q397 HydrophobicContact CD1-CB 3.68Å; I372-Q397 HydrophobicContact CD1-CG 3.64Å; L378-Q397 HydrophobicContact CD1-CB 3.57Å; E379-Q397 PolarHBondContact OE2-NE2 2.87Å; G394-Q397 WeakPolarHBondContact O-CB 3.43Å; G394-Q397 PolarHBondContact O-N 3.49Å; G394-Q397 VanDerWaalsContact O-N 3.11Å; Q397-S400 PolarHBondContact O-OG 3.01Å; Q397-L401 WeakPolarHBondContact O-CG 3.02Å; Q397-L401 PolarHBondContact O-N 3.19Å
398	L	82	Confident	82.5	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.5	-42.7	170.5	-69.6	174.6	0	0	0	111.3	L378 L393 G394 L401 G402 F403 V406 M408 V427 L457	L378-L398 HydrophobicContact CD1-CD2 4.22Å; L378-L398 HydrophobicContact CD1-CG 4.45Å; L378-L398 HydrophobicContact CD2-CD2 3.89Å; L393-L398 HydrophobicContact CB-CD1 3.89Å; L393-L398 HydrophobicContact CB-CG 4.37Å; L393-L398 HydrophobicContact CD1-CD2 4.35Å; G394-L398 WeakPolarHBondContact O-CG 3.01Å; G394-L398 PolarHBondContact O-N 2.93Å; L398-L401 WeakPolarHBondContact O-CB 3.01Å; L398-L401 PolarHBondContact O-N 3.2Å; L398-G402 PolarHBondContact O-N 2.72Å; L398-F403 HydrophobicContact CB-CB 4.28Å; L398-F403 WeakPolarHBondContact O-CB 3.26Å; L398-F403 WeakPolarHBondContact O-CD2 3.4Å; L398-F403 PolarHBondContact O-N 2.71Å; L398-V406 HydrophobicContact CB-CG2 4.06Å; L398-V406 HydrophobicContact CD1-CB 4.48Å; L398-V406 HydrophobicContact CD1-CG1 3.75Å; L398-V406 HydrophobicContact CD1-CG2 3.83Å; L398-M408 HydrophobicContact CD1-SD 4.28Å; L398-V427 HydrophobicContact CD1-CG2 4.42Å; L398-L457 HydrophobicContact CD2-CD1 4.22Å; L398-L457 HydrophobicContact CD2-CD2 3.43Å; L398-L457 VanDerWaalsContact CD2-CD2 3.43Å; L398-L457 HydrophobicContact CD2-CG 4.49Å
399	K	79.4	Confident	82.5	Confident	114 Å²	114	40.2 Å²	40.2	50%	0.496	21%	0.208	S	C	.	.	H	α-helix	trans	-65.2	-38.1	177.9	-168.9	167.5	-173.5	168.2	0	112.9	K395 C396 L401 G402	K395-K399 WeakPolarHBondContact O-CB 2.95Å; K395-K399 PolarHBondContact O-N 3.39Å; C396-K399 PolarHBondContact O-N 3.32Å; K399-L401 VanDerWaalsContact C-N 3.3Å; K399-L401 PolarHBondContact O-N 2.73Å; K399-G402 PolarHBondContact O-N 3.11Å; K399-G402 VanDerWaalsContact O-N 3.08Å
400	S	78.2	Confident	82.5	Confident	51 Å²	51	40.3 Å²	40.3	36%	0.357	21%	0.208	S	C	.	.	H	α-helix	trans	-69.5	-27.6	175.1	62	0	0	0	0	113.4	F370 C396 Q397 G402	F370-S400 WeakPolarHBondContact O-CB 3.49Å; F370-S400 PolarHBondContact O-OG 3.34Å; C396-S400 PolarHBondContact O-N 3.05Å; C396-S400 PolarHBondContact O-OG 3.24Å; Q397-S400 PolarHBondContact O-OG 3.01Å; S400-G402 PolarHBondContact O-N 3.37Å
401	L	77.9	Confident	82.5	Confident	38 Å²	38	41.8 Å²	41.8	20%	0.199	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	0.4	168.5	-76.3	167.9	0	0	0	114.2	I372 I375 L378 Q397 L398 K399 F403	I372-L401 HydrophobicContact CG2-CD1 4.15Å; I372-L401 HydrophobicContact CG2-CD2 4.06Å; I372-L401 HydrophobicContact CG2-CG 4.04Å; I372-L401 WeakPolarHBondContact O-CD2 3.27Å; I375-L401 HydrophobicContact CG1-CD1 4.34Å; I375-L401 HydrophobicContact CG1-CD2 4.28Å; L378-L401 HydrophobicContact CD1-CD1 4.16Å; Q397-L401 WeakPolarHBondContact O-CG 3.02Å; Q397-L401 PolarHBondContact O-N 3.19Å; L398-L401 WeakPolarHBondContact O-CB 3.01Å; L398-L401 PolarHBondContact O-N 3.2Å; K399-L401 VanDerWaalsContact C-N 3.3Å; K399-L401 PolarHBondContact O-N 2.73Å; L401-F403 HydrophobicContact CB-CD2 3.92Å; L401-F403 HydrophobicContact CB-CE2 4.11Å
402	G	77.4	Confident	82.2	Confident	50 Å²	50	43.3 Å²	43.3	52%	0.515	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.7	4.1	177.8	0	0	0	0	0	115.5	L398 K399 S400 D404	L398-G402 PolarHBondContact O-N 2.72Å; K399-G402 PolarHBondContact O-N 3.11Å; K399-G402 VanDerWaalsContact O-N 3.08Å; S400-G402 PolarHBondContact O-N 3.37Å; G402-D404 PolarHBondContact O-N 2.68Å
403	F	78.6	Confident	81.8	Confident	13 Å²	13	47.5 Å²	47.5	6%	0.057	26%	0.259	C	S	.	.			trans	-79.6	80.8	176	-65	-94.9	0	0	0	110.9	L398 L401 K405 V406 L457 D459 I468	L398-F403 HydrophobicContact CB-CB 4.28Å; L398-F403 WeakPolarHBondContact O-CB 3.26Å; L398-F403 WeakPolarHBondContact O-CD2 3.4Å; L398-F403 PolarHBondContact O-N 2.71Å; L401-F403 HydrophobicContact CB-CD2 3.92Å; L401-F403 HydrophobicContact CB-CE2 4.11Å; F403-K405 PolarHBondContact O-N 2.66Å; F403-V406 HydrophobicContact CB-CG2 4.02Å; F403-L457 HydrophobicContact CD1-CD1 4.04Å; F403-L457 HydrophobicContact CD1-CG 4.2Å; F403-L457 HydrophobicContact CE1-CD1 4.14Å; F403-L457 HydrophobicContact CE1-CD2 4.22Å; F403-L457 HydrophobicContact CE1-CG 3.79Å; F403-L457 HydrophobicContact CE2-CD2 4.28Å; F403-L457 HydrophobicContact CZ-CD2 4.08Å; F403-L457 HydrophobicContact CZ-CG 4.1Å; F403-D459 HydrophobicContact CD1-CB 3.76Å; F403-D459 HydrophobicContact CE1-CB 3.93Å; F403-I468 HydrophobicContact CE2-CD1 3.83Å; F403-I468 HydrophobicContact CZ-CD1 3.53Å
404	D	72.2	Confident	81.4	Confident	135 Å²	135	57.1 Å²	57.1	72%	0.722	30%	0.296	S	S	*	.	S	Bend	trans	-64	-26.4	172	-86.8	-35.6	0	0	0	112.6	G402	G402-D404 PolarHBondContact O-N 2.68Å
405	K	73.4	Confident	81.2	Confident	146 Å²	146	58.3 Å²	58.3	64%	0.635	30%	0.303	S	S	*	.	S	Bend	trans	-128.4	137.7	166.8	-67.8	176.8	-174.8	168.8	0	108.3	F403 F407	F403-K405 PolarHBondContact O-N 2.66Å; K405-F407 HydrophobicContact CB-CD2 4.5Å; K405-F407 HydrophobicContact CB-CE2 3.99Å; K405-F407 HydrophobicContact CD-CE2 4.5Å
406	V	77.8	Confident	81.3	Confident	43 Å²	43	58.6 Å²	58.6	26%	0.261	32%	0.315	S	S	.	.			trans	-111	103.2	-175.4	174.6	0	0	0	0	108.8	L398 F403 M408 V427 L457	L398-V406 HydrophobicContact CB-CG2 4.06Å; L398-V406 HydrophobicContact CD1-CB 4.48Å; L398-V406 HydrophobicContact CD1-CG1 3.75Å; L398-V406 HydrophobicContact CD1-CG2 3.83Å; F403-V406 HydrophobicContact CB-CG2 4.02Å; V406-M408 HydrophobicContact CG1-CG 3.63Å; V406-M408 HydrophobicContact CG1-SD 3.51Å; V406-M408 VanDerWaalsContact CG1-SD 3.51Å; V406-V427 HydrophobicContact CG1-CB 4.31Å; V406-V427 HydrophobicContact CG1-CG1 3.93Å; V406-V427 HydrophobicContact CG1-CG2 4.33Å; V406-L457 HydrophobicContact CG1-CD1 3.83Å
407	F	80.7	Confident	81.5	Confident	82 Å²	82	59.6 Å²	59.6	36%	0.36	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	93.3	169.8	-66	-82.6	0	0	0	109.1	K405 L457 A458 D459 I461	K405-F407 HydrophobicContact CB-CD2 4.5Å; K405-F407 HydrophobicContact CB-CE2 3.99Å; K405-F407 HydrophobicContact CD-CE2 4.5Å; F407-L457 WeakPolarHBondContact O-CA 3.44Å; F407-A458 HydrophobicContact CB-CB 4.3Å; F407-A458 WeakPolarHBondContact CB-O 3.41Å; F407-A458 PolarHBondContact N-O 3Å; F407-A458 PolarHBondContact O-N 3.45Å; F407-D459 WeakPolarHBondContact CD2-O 3.4Å; F407-D459 WeakPolarHBondContact CE2-O 3.31Å; F407-I461 HydrophobicContact CE1-CG1 4.01Å; F407-I461 HydrophobicContact CE2-CG1 4.37Å; F407-I461 HydrophobicContact CZ-CD1 4.39Å; F407-I461 HydrophobicContact CZ-CG1 3.86Å
408	M	86.1	Confident	81.3	Confident	5 Å²	5	62.9 Å²	62.9	3%	0.025	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	134.9	172.5	-77.2	166.4	63.1	0	0	110.2	L393 L398 V406 S416 G417 V427 V429 L455 Y456 L457	L393-M408 HydrophobicContact CB-CE 4.22Å; L393-M408 HydrophobicContact CB-SD 4.36Å; L393-M408 HydrophobicContact CD1-CE 3.82Å; L393-M408 HydrophobicContact CD1-SD 3.95Å; L393-M408 HydrophobicContact CG-CE 3.87Å; L393-M408 HydrophobicContact CG-SD 4.4Å; L398-M408 HydrophobicContact CD1-SD 4.28Å; V406-M408 HydrophobicContact CG1-CG 3.63Å; V406-M408 HydrophobicContact CG1-SD 3.51Å; V406-M408 VanDerWaalsContact CG1-SD 3.51Å; M408-S416 CarbonylContact O-C 3.57Å; M408-S416 VanDerWaalsContact O-CA 3.3Å; M408-S416 WeakPolarHBondContact O-CA 3.46Å; M408-G417 PolarHBondContact O-N 2.9Å; M408-V427 HydrophobicContact CE-CB 4.46Å; M408-V427 HydrophobicContact CE-CG1 4.38Å; M408-V427 VanDerWaalsContact CE-O 3.29Å; M408-V427 WeakPolarHBondContact CE-O 3.42Å; M408-V427 HydrophobicContact SD-CB 3.71Å; M408-V427 HydrophobicContact SD-CG1 3.51Å; M408-V427 VanDerWaalsContact SD-CG1 3.51Å; M408-V429 HydrophobicContact CB-CG2 3.86Å; M408-V429 HydrophobicContact CE-CG2 3.79Å; M408-L455 HydrophobicContact CB-CD1 4.12Å; M408-L455 HydrophobicContact CE-CD1 4.15Å; M408-L455 HydrophobicContact CE-CD2 3.99Å; M408-L455 HydrophobicContact CG-CD1 4.4Å; M408-Y456 WeakPolarHBondContact CA-O 3.4Å; M408-L457 HydrophobicContact CG-CD1 3.78Å
409	Y	87.8	Confident	81.2	Confident	54 Å²	54	67 Å²	67	21%	0.212	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	158.6	176	58.8	-84	0	0	0	112	C415 Y456 I463	Y409-C415 WeakPolarHBondContact CA-O 3.37Å; Y409-Y456 HydrophobicContact CD2-CD2 4.26Å; Y409-Y456 HydrophobicContact CD2-CG 4.32Å; Y409-Y456 VanDerWaalsContact CE2-CB 3.45Å; Y409-Y456 HydrophobicContact CE2-CD2 4.07Å; Y409-Y456 AromaticContact CE2-CG 3.79Å; Y409-Y456 HydrophobicContact CE2-CG 3.79Å; Y409-Y456 VanDerWaalsContact CZ-CB 3.46Å; Y409-Y456 PolarHBondContact N-O 2.03Å; Y409-Y456 PolarHBondContact O-N 3.33Å; Y409-I463 WeakPolarHBondContact OH-CD1 3.23Å
410	L	89.9	Confident	80.8	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.01	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-175.7	178.9	-61.2	179.2	0	0	0	112.2	D412 C415 V429 T431 C438 T454 L455 F472	L410-D412 CarbonylContact O-C 3.54Å; L410-D412 VanDerWaalsContact O-C 3.3Å; L410-D412 PolarHBondContact O-N 2.03Å; L410-C415 HydrophobicContact CB-CB 4.28Å; L410-C415 HydrophobicContact CD1-CB 4.06Å; L410-C415 HydrophobicContact CG-CB 4.34Å; L410-C415 PolarHBondContact N-O 3.14Å; L410-V429 HydrophobicContact CD1-CG1 3.96Å; L410-V429 HydrophobicContact CD2-CB 4.47Å; L410-V429 HydrophobicContact CD2-CG1 4.26Å; L410-V429 HydrophobicContact CG-CG1 3.81Å; L410-T431 HydrophobicContact CD1-CG2 3.78Å; L410-C438 HydrophobicContact CB-CB 4.38Å; L410-C438 HydrophobicContact CD1-CB 3.74Å; L410-T454 CarbonylContact C-O 3.47Å; L410-T454 WeakPolarHBondContact CA-O 3.47Å; L410-L455 HydrophobicContact CD2-CB 4.2Å; L410-L455 HydrophobicContact CD2-CD1 4.21Å; L410-F472 HydrophobicContact CD2-CE1 3.73Å; L410-F472 HydrophobicContact CD2-CZ 3.84Å
411	S	91.1	Very high	80.1	Confident	59 Å²	59	69.4 Å²	69.4	41%	0.413	36%	0.361	S	S	.	.	S	Bend	trans	-52.1	-27.3	175.4	-53.4	0	0	0	0	113.7	N453 T454	S411-N453 WeakPolarHBondContact CB-OD1 3.37Å; S411-N453 PolarHBondContact N-OD1 3.13Å; S411-N453 PolarHBondContact OG-OD1 2.85Å; S411-T454 PolarHBondContact N-O 3.38Å
412	D	85	Confident	79.1	Confident	35 Å²	35	74.7 Å²	74.7	19%	0.187	39%	0.389	C	S	.	.	S	Bend	trans	-102	114.1	160.7	-175.3	-18.6	0	0	0	109.8	L410 R414 C415 C438	L410-D412 CarbonylContact O-C 3.54Å; L410-D412 VanDerWaalsContact O-C 3.3Å; L410-D412 PolarHBondContact O-N 2.03Å; D412-R414 PolarHBondContact O-N 2.91Å; D412-R414 WeakPolarHBondContact OD1-CB 3.26Å; D412-R414 WeakPolarHBondContact OD1-CG 3.33Å; D412-R414 IonicContact OD1-CZ 3.28Å; D412-R414 PolarHBondContact OD1-N 2.92Å; D412-R414 IonicContact OD1-NE 3.1Å; D412-R414 PolarHBondContact OD1-NE 2.81Å; D412-R414 IonicContact OD1-NH2 2.66Å; D412-R414 IonicContact OD2-CZ 3.96Å; D412-R414 VanDerWaalsContact OD2-CZ 3.28Å; D412-R414 IonicContact OD2-NE 3.96Å; D412-R414 PolarHBondContact OD2-NE 3.43Å; D412-R414 VanDerWaalsContact OD2-NE 3.1Å; D412-R414 IonicContact OD2-NH2 3.92Å; D412-R414 PolarHBondContact OD2-NH2 3.02Å; D412-C415 PolarHBondContact O-N 2.91Å; D412-C438 VanDerWaalsContact CB-C 3.43Å; D412-C438 PolarHBondContact N-O 2.84Å
413	S	81.4	Confident	78.5	Confident	88 Å²	88	75.6 Å²	75.6	62%	0.615	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-14	-178.5	60.6	0	0	0	0	115.4	C415	S413-C415 PolarHBondContact O-N 2.89Å
414	R	79.9	Confident	77.7	Confident	201 Å²	201	79.7 Å²	79.7	76%	0.758	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-19.5	174	-62.1	177.1	-66.5	172.8	0.6	113	D412 S416	D412-R414 PolarHBondContact O-N 2.91Å; D412-R414 WeakPolarHBondContact OD1-CB 3.26Å; D412-R414 WeakPolarHBondContact OD1-CG 3.33Å; D412-R414 IonicContact OD1-CZ 3.28Å; D412-R414 PolarHBondContact OD1-N 2.92Å; D412-R414 IonicContact OD1-NE 3.1Å; D412-R414 PolarHBondContact OD1-NE 2.81Å; D412-R414 IonicContact OD1-NH2 2.66Å; D412-R414 IonicContact OD2-CZ 3.96Å; D412-R414 VanDerWaalsContact OD2-CZ 3.28Å; D412-R414 IonicContact OD2-NE 3.96Å; D412-R414 PolarHBondContact OD2-NE 3.43Å; D412-R414 VanDerWaalsContact OD2-NE 3.1Å; D412-R414 IonicContact OD2-NH2 3.92Å; D412-R414 PolarHBondContact OD2-NH2 3.02Å; R414-S416 PolarHBondContact O-N 3.34Å
415	C	82.5	Confident	77.8	Confident	27 Å²	27	74.1 Å²	74.1	18%	0.182	37%	0.367	C	S	.	.	S	Bend	trans	-96	84.6	174.3	-60.1	0	0	0	0	109.1	Y409 L410 D412 S413 C438	Y409-C415 WeakPolarHBondContact CA-O 3.37Å; L410-C415 HydrophobicContact CB-CB 4.28Å; L410-C415 HydrophobicContact CD1-CB 4.06Å; L410-C415 HydrophobicContact CG-CB 4.34Å; L410-C415 PolarHBondContact N-O 3.14Å; D412-C415 PolarHBondContact O-N 2.91Å; S413-C415 PolarHBondContact O-N 2.89Å; C415-C438 HydrophobicContact CB-CB 3.6Å; C415-C438 WeakPolarHBondContact CB-SG 3.36Å; C415-C438 WeakPolarHBondContact SG-CA 3.33Å; C415-C438 WeakPolarHBondContact SG-CB 3.16Å; C415-C438 CovalentContact SG-SG 2.03Å; C415-C438 PolarHBondContact SG-SG 2.84Å
416	S	84.6	Confident	78.3	Confident	78 Å²	78	69 Å²	69	55%	0.545	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-92.5	159.1	179.7	59.8	0	0	0	0	112.7	M408 R414	M408-S416 CarbonylContact O-C 3.57Å; M408-S416 VanDerWaalsContact O-CA 3.3Å; M408-S416 WeakPolarHBondContact O-CA 3.46Å; R414-S416 PolarHBondContact O-N 3.34Å
417	G	83.8	Confident	78.7	Confident	25 Å²	25	67.2 Å²	67.2	26%	0.258	33%	0.333	S	S	.	.			trans	-75.2	163	175.9	0	0	0	0	0	114.5	M408 S428	M408-G417 PolarHBondContact O-N 2.9Å; G417-S428 CarbonylContact C-O 3.57Å; G417-S428 WeakPolarHBondContact CA-O 3.33Å
418	F	77.8	Confident	79.1	Confident	75 Å²	75	63.3 Å²	63.3	33%	0.329	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	155.9	179.4	60.3	-83.3	0	0	0	109.4	D420 S428 V430	F418-D420 PolarHBondContact O-N 3.3Å; F418-S428 VanDerWaalsContact CD1-O 3.24Å; F418-S428 WeakPolarHBondContact CD1-O 3.32Å; F418-S428 WeakPolarHBondContact CE1-O 3.48Å; F418-S428 PolarHBondContact N-O 3.26Å; F418-S428 PolarHBondContact O-N 3.48Å; F418-V430 HydrophobicContact CE1-CB 4.47Å; F418-V430 HydrophobicContact CE1-CG1 3.99Å; F418-V430 HydrophobicContact CE1-CG2 4.01Å; F418-V430 HydrophobicContact CZ-CG1 3.87Å
419	N	79.6	Confident	79.2	Confident	86 Å²	86	63.2 Å²	63.2	46%	0.46	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	128.1	171.5	-60.8	-24.8	0	0	0	108.9
420	D	71.3	Confident	79.3	Confident	13 Å²	13	63.8 Å²	63.8	7%	0.07	33%	0.325	C	S	.	.			trans	-64.6	141.1	-176.5	-148.5	-33.2	0	0	0	111.1	K390 F418 N423 W426 S428	K390-D420 WeakPolarHBondContact CE-OD2 3.48Å; K390-D420 IonicContact NZ-OD1 2.74Å; K390-D420 IonicContact NZ-OD2 3.65Å; K390-D420 PolarHBondContact NZ-OD2 2.84Å; F418-D420 PolarHBondContact O-N 3.3Å; D420-N423 WeakPolarHBondContact CB-O 3.48Å; D420-W426 HydrophobicContact CB-CB 4.09Å; D420-W426 WeakPolarHBondContact CB-O 3.34Å; D420-W426 PolarHBondContact N-O 3.12Å; D420-S428 PolarHBondContact OD2-OG 2.77Å
421	R	62.7	Low	79.2	Confident	203 Å²	203	63.7 Å²	63.7	77%	0.766	33%	0.325	S	S	*	.	S	Bend	trans	-80.5	-34.7	-175.3	-67.4	-172.1	-178.9	-165.7	1.4	111.9
422	D	58.2	Low	78.9	Confident	148 Å²	148	62.8 Å²	62.8	79%	0.791	32%	0.317	S	S	*	.	S	Bend	trans	-82.9	-27.7	-174.5	-55.8	-37.6	0	0	0	112.2
423	N	64.2	Low	78.9	Confident	69 Å²	69	61.6 Å²	61.6	37%	0.369	31%	0.312	S	S	.	.			trans	-146.4	112.8	173.8	-175.9	-12.5	0	0	0	111.2	D420 D425 W426	D420-N423 WeakPolarHBondContact CB-O 3.48Å; N423-D425 PolarHBondContact O-N 3.03Å; N423-D425 VanDerWaalsContact O-N 3.07Å; N423-D425 WeakPolarHBondContact OD1-CB 3.45Å; N423-D425 PolarHBondContact OD1-N 3.41Å; N423-D425 PolarHBondContact OD1-OD2 3.07Å; N423-W426 PolarHBondContact ND2-NE1 3.33Å; N423-W426 PolarHBondContact O-N 2.78Å
424	R	62.6	Low	78.8	Confident	99 Å²	99	64.8 Å²	64.8	37%	0.374	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-7.3	-174.1	-65.4	164.7	177.3	165.2	-1.9	114.7	Q257 E348 K395 W426	Q257-R424 VanDerWaalsContact CG-CZ 3.49Å; Q257-R424 VanDerWaalsContact OE1-CD 3.24Å; E348-R424 IonicContact OE2-NH1 3.29Å; E348-R424 PolarHBondContact OE2-NH1 3.06Å; K395-R424 WeakPolarHBondContact CD-O 3.49Å; R424-W426 VanDerWaalsContact C-N 3.29Å
425	D	73.9	Confident	79.2	Confident	18 Å²	18	60.1 Å²	60.1	10%	0.096	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-17.2	175.6	-60.4	-28.3	0	0	0	113.5	S350 G394 K395 N423	S350-D425 VanDerWaalsContact CB-CG 3.43Å; S350-D425 WeakPolarHBondContact CB-OD1 3.27Å; S350-D425 WeakPolarHBondContact CB-OD2 3.08Å; S350-D425 PolarHBondContact OG-OD1 3.23Å; S350-D425 PolarHBondContact OG-OD2 3.11Å; G394-D425 CarbonylContact C-O 3.49Å; K395-D425 WeakPolarHBondContact CB-O 3.45Å; K395-D425 PolarHBondContact N-O 3.32Å; N423-D425 PolarHBondContact O-N 3.03Å; N423-D425 VanDerWaalsContact O-N 3.07Å; N423-D425 WeakPolarHBondContact OD1-CB 3.45Å; N423-D425 PolarHBondContact OD1-N 3.41Å; N423-D425 PolarHBondContact OD1-OD2 3.07Å
426	W	82.8	Confident	79.4	Confident	38 Å²	38	61.1 Å²	61.1	14%	0.144	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.2	-169.5	-65.3	92.8	0	0	0	110.6	R381 D420 N423 R424	R381-W426 HydrophobicContact CB-CH2 4.42Å; R381-W426 HydrophobicContact CB-CZ3 4.23Å; D420-W426 HydrophobicContact CB-CB 4.09Å; D420-W426 WeakPolarHBondContact CB-O 3.34Å; D420-W426 PolarHBondContact N-O 3.12Å; N423-W426 PolarHBondContact ND2-NE1 3.33Å; N423-W426 PolarHBondContact O-N 2.78Å; R424-W426 VanDerWaalsContact C-N 3.29Å
427	V	86.4	Confident	79.4	Confident	6 Å²	6	60.1 Å²	60.1	4%	0.036	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	122.8	160.8	-168.3	0	0	0	0	106.6	S392 L393 K395 L398 V406 M408	S392-V427 CarbonylContact C-O 3.51Å; S392-V427 WeakPolarHBondContact CA-O 3.39Å; L393-V427 PolarHBondContact N-O 3.07Å; L393-V427 PolarHBondContact O-N 2.92Å; K395-V427 HydrophobicContact CB-CG2 4.22Å; L398-V427 HydrophobicContact CD1-CG2 4.42Å; V406-V427 HydrophobicContact CG1-CB 4.31Å; V406-V427 HydrophobicContact CG1-CG1 3.93Å; V406-V427 HydrophobicContact CG1-CG2 4.33Å; M408-V427 HydrophobicContact CE-CB 4.46Å; M408-V427 HydrophobicContact CE-CG1 4.38Å; M408-V427 VanDerWaalsContact CE-O 3.29Å; M408-V427 WeakPolarHBondContact CE-O 3.42Å; M408-V427 HydrophobicContact SD-CB 3.71Å; M408-V427 HydrophobicContact SD-CG1 3.51Å; M408-V427 VanDerWaalsContact SD-CG1 3.51Å
428	S	88.9	Confident	79.4	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	147.8	-167.7	-71.8	0	0	0	0	111.5	V391 S392 G417 F418 D420	V391-S428 CarbonylContact O-C 3.59Å; V391-S428 VanDerWaalsContact O-CA 3.27Å; V391-S428 WeakPolarHBondContact O-CA 3.33Å; S392-S428 WeakPolarHBondContact CB-OG 3.27Å; S392-S428 PolarHBondContact OG-OG 3.07Å; G417-S428 CarbonylContact C-O 3.57Å; G417-S428 WeakPolarHBondContact CA-O 3.33Å; F418-S428 VanDerWaalsContact CD1-O 3.24Å; F418-S428 WeakPolarHBondContact CD1-O 3.32Å; F418-S428 WeakPolarHBondContact CE1-O 3.48Å; F418-S428 PolarHBondContact N-O 3.26Å; F418-S428 PolarHBondContact O-N 3.48Å; D420-S428 PolarHBondContact OD2-OG 2.77Å
429	V	89.6	Confident	80	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.018	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.4	163.5	-158.1	0	0	0	0	109.1	K390 V391 M408 L410 L455	K390-V429 WeakPolarHBondContact CA-O 3.45Å; V391-V429 PolarHBondContact N-O 3.33Å; V391-V429 PolarHBondContact O-N 2.04Å; M408-V429 HydrophobicContact CB-CG2 3.86Å; M408-V429 HydrophobicContact CE-CG2 3.79Å; L410-V429 HydrophobicContact CD1-CG1 3.96Å; L410-V429 HydrophobicContact CD2-CB 4.47Å; L410-V429 HydrophobicContact CD2-CG1 4.26Å; L410-V429 HydrophobicContact CG-CG1 3.81Å; V429-L455 HydrophobicContact CB-CD1 4.5Å; V429-L455 HydrophobicContact CG2-CD1 3.56Å
430	V	88.2	Confident	80.6	Confident	66 Å²	66	53.2 Å²	53.2	40%	0.4	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	145.6	174.7	-63.4	0	0	0	0	110.9	M389 K390 F418	M389-V430 WeakPolarHBondContact O-CA 3.33Å; K390-V430 HydrophobicContact CB-CG1 3.94Å; K390-V430 HydrophobicContact CD-CG1 3.96Å; K390-V430 HydrophobicContact CG-CG1 3.8Å; F418-V430 HydrophobicContact CE1-CB 4.47Å; F418-V430 HydrophobicContact CE1-CG1 3.99Å; F418-V430 HydrophobicContact CE1-CG2 4.01Å; F418-V430 HydrophobicContact CZ-CG1 3.87Å
431	T	89.3	Confident	81.6	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.006	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	141.8	168.7	173	0	0	0	0	110.5	D388 M389 L410 C438 T440 F472	D388-T431 CarbonylContact C-O 3.51Å; D388-T431 WeakPolarHBondContact CA-O 3.48Å; M389-T431 HydrophobicContact CB-CG2 4.19Å; M389-T431 HydrophobicContact CE-CG2 3.63Å; M389-T431 PolarHBondContact N-O 3.45Å; M389-T431 PolarHBondContact O-N 2.96Å; L410-T431 HydrophobicContact CD1-CG2 3.78Å; T431-C438 WeakPolarHBondContact OG1-CB 3.1Å; T431-T440 PolarHBondContact OG1-OG1 3.03Å; T431-F472 HydrophobicContact CG2-CE2 4.3Å; T431-F472 HydrophobicContact CG2-CZ 4.2Å
432	P	84.3	Confident	82.9	Confident	40 Å²	40	48.3 Å²	48.3	26%	0.26	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	141.2	169.6	-25.2	35.2	0	0	0	111.8	D388 R434 P437	D388-P432 WeakPolarHBondContact OD1-CA 3.35Å; P432-R434 HydrophobicContact CB-CB 4.34Å; P432-R434 HydrophobicContact CB-CG 4.3Å; P432-R434 PolarHBondContact O-N 3.16Å; P432-P437 HydrophobicContact CB-CB 4.39Å; P432-P437 HydrophobicContact CG-CB 4.14Å
433	A	84.3	Confident	84.4	Confident	9 Å²	9	44.7 Å²	44.7	7%	0.074	25%	0.25	C	S	.	.	S	Bend	trans	-76.4	60.8	169.8	0	0	0	0	0	109.9	N387 M389 Y451 Y476	N387-A433 WeakPolarHBondContact O-CB 3.3Å; N387-A433 PolarHBondContact O-N 2.88Å; M389-A433 HydrophobicContact CG-CB 4.26Å; A433-Y451 HydrophobicContact CB-CD2 4.06Å; A433-Y451 HydrophobicContact CB-CE2 4.27Å; A433-Y451 HydrophobicContact CB-CG 4.42Å; A433-Y451 VanDerWaalsContact O-CE1 3.32Å; A433-Y451 WeakPolarHBondContact O-CE1 3.26Å; A433-Y451 WeakPolarHBondContact O-CE2 3.5Å; A433-Y451 PolarHBondContact O-OH 2.85Å; A433-Y476 HydrophobicContact CB-CE2 4.01Å
434	R	80.9	Confident	85.1	Confident	156 Å²	156	47.5 Å²	47.5	59%	0.589	26%	0.256	S	S	*	.	S	Bend	trans	-142.5	148.3	-177	-62.2	-173.8	-175.7	179.9	3.1	110	P432 P437 T440	P432-R434 HydrophobicContact CB-CB 4.34Å; P432-R434 HydrophobicContact CB-CG 4.3Å; P432-R434 PolarHBondContact O-N 3.16Å; R434-P437 HydrophobicContact CB-CG 4.36Å; R434-T440 WeakPolarHBondContact O-CB 2.79Å; R434-T440 WeakPolarHBondContact O-CG2 3.39Å
435	D	87.8	Confident	86	Confident	102 Å²	102	46.8 Å²	46.8	55%	0.545	26%	0.259	S	S	.	.	S	Bend	trans	-72.1	128.1	176.8	-165.8	58.5	0	0	0	110.8	P437 L442	D435-P437 WeakPolarHBondContact O-CD 3.03Å; D435-L442 HydrophobicContact CB-CB 3.71Å; D435-L442 HydrophobicContact CB-CD2 4.41Å; D435-L442 WeakPolarHBondContact OD1-CB 3Å; D435-L442 PolarHBondContact OD1-N 3.41Å
436	G	86.9	Confident	85.7	Confident	49 Å²	49	49.2 Å²	49.2	51%	0.505	27%	0.27	S	S	.	.	S	Bend	trans	106.7	-61.6	179.3	0	0	0	0	0	115.4	C438 G439 T440	G436-C438 PolarHBondContact O-N 2.58Å; G436-G439 PolarHBondContact O-N 3.44Å; G436-T440 PolarHBondContact N-O 2.82Å
437	P	83.3	Confident	85.1	Confident	57 Å²	57	49.7 Å²	49.7	37%	0.37	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-52.5	136.4	179.4	-29.5	36.5	0	0	0	113.1	P432 R434 D435 G439 T440	P432-P437 HydrophobicContact CB-CB 4.39Å; P432-P437 HydrophobicContact CG-CB 4.14Å; R434-P437 HydrophobicContact CB-CG 4.36Å; D435-P437 WeakPolarHBondContact O-CD 3.03Å; P437-G439 PolarHBondContact O-N 2.94Å; P437-T440 VanDerWaalsContact O-CB 3.22Å; P437-T440 WeakPolarHBondContact O-CB 3.33Å; P437-T440 PolarHBondContact O-N 3.07Å; P437-T440 PolarHBondContact O-OG1 3.02Å
438	C	85.4	Confident	84.8	Confident	12 Å²	12	52.6 Å²	52.6	8%	0.081	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	55.6	16.9	-175.2	-55.5	0	0	0	0	115.8	L410 D412 C415 T431 G436 T440 N453	L410-C438 HydrophobicContact CB-CB 4.38Å; L410-C438 HydrophobicContact CD1-CB 3.74Å; D412-C438 VanDerWaalsContact CB-C 3.43Å; D412-C438 PolarHBondContact N-O 2.84Å; C415-C438 HydrophobicContact CB-CB 3.6Å; C415-C438 WeakPolarHBondContact CB-SG 3.36Å; C415-C438 WeakPolarHBondContact SG-CA 3.33Å; C415-C438 WeakPolarHBondContact SG-CB 3.16Å; C415-C438 CovalentContact SG-SG 2.03Å; C415-C438 PolarHBondContact SG-SG 2.84Å; T431-C438 WeakPolarHBondContact OG1-CB 3.1Å; G436-C438 PolarHBondContact O-N 2.58Å; C438-T440 VanDerWaalsContact C-N 3.27Å; C438-N453 PolarHBondContact O-ND2 3.05Å
439	G	89.9	Confident	84.5	Confident	27 Å²	27	52.8 Å²	52.8	28%	0.278	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	71.7	19.4	-171.5	0	0	0	0	0	113.9	G436 P437	G436-G439 PolarHBondContact O-N 3.44Å; P437-G439 PolarHBondContact O-N 2.94Å
440	T	90.8	Very high	84.5	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.012	30%	0.3	C	S	.	.			trans	-68.7	133.2	176.4	-60.3	0	0	0	0	110.5	M389 T431 R434 G436 P437 C438 Y451 N453	M389-T440 HydrophobicContact CE-CG2 3.64Å; T431-T440 PolarHBondContact OG1-OG1 3.03Å; R434-T440 WeakPolarHBondContact O-CB 2.79Å; R434-T440 WeakPolarHBondContact O-CG2 3.39Å; G436-T440 PolarHBondContact N-O 2.82Å; P437-T440 VanDerWaalsContact O-CB 3.22Å; P437-T440 WeakPolarHBondContact O-CB 3.33Å; P437-T440 PolarHBondContact O-N 3.07Å; P437-T440 PolarHBondContact O-OG1 3.02Å; C438-T440 VanDerWaalsContact C-N 3.27Å; T440-Y451 HydrophobicContact CG2-CD1 4.28Å; T440-N453 PolarHBondContact N-ND2 2.8Å; T440-N453 PolarHBondContact OG1-ND2 3.14Å
441	V	93.8	Very high	84.7	Confident	77 Å²	77	52.6 Å²	52.6	47%	0.467	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.6	-177.8	-179.5	0	0	0	0	110.1	Y451 S452	V441-Y451 WeakPolarHBondContact O-CA 3.46Å; V441-S452 PolarHBondContact N-O 2.82Å; V441-S452 PolarHBondContact O-N 2.82Å; V441-S452 PolarHBondContact O-OG 3.47Å
442	L	90	Very high	85	Confident	35 Å²	35	54.4 Å²	54.4	18%	0.183	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122.1	175	173.7	55.3	0	0	0	112.1	D435 R444 A449 Y451	D435-L442 HydrophobicContact CB-CB 3.71Å; D435-L442 HydrophobicContact CB-CD2 4.41Å; D435-L442 WeakPolarHBondContact OD1-CB 3Å; D435-L442 PolarHBondContact OD1-N 3.41Å; L442-R444 HydrophobicContact CD1-CG 3.93Å; L442-R444 HydrophobicContact CD2-CG 4.34Å; L442-R444 VanDerWaalsContact CD2-NH2 3.33Å; L442-R444 HydrophobicContact CG-CG 4.05Å; L442-A449 HydrophobicContact CD1-CB 3.83Å; L442-Y451 HydrophobicContact CB-CD1 3.88Å; L442-Y451 HydrophobicContact CB-CE1 3.83Å; L442-Y451 HydrophobicContact CD1-CD1 3.87Å; L442-Y451 HydrophobicContact CD1-CD2 4.41Å; L442-Y451 HydrophobicContact CD1-CE1 3.6Å; L442-Y451 HydrophobicContact CD1-CE2 4.2Å; L442-Y451 HydrophobicContact CD1-CG 4.26Å; L442-Y451 HydrophobicContact CD2-CE1 3.75Å; L442-Y451 HydrophobicContact CG-CD1 4.3Å; L442-Y451 HydrophobicContact CG-CE1 3.92Å
443	T	88.7	Confident	85.5	Confident	73 Å²	73	52.9 Å²	52.9	45%	0.448	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.9	165.2	59.6	0	0	0	0	109.9	T450	T443-T450 PolarHBondContact N-O 2.84Å; T443-T450 PolarHBondContact O-N 3.49Å; T443-T450 WeakPolarHBondContact OG1-CB 3.26Å; T443-T450 PolarHBondContact OG1-O 2.77Å
444	R	79.7	Confident	86	Confident	128 Å²	128	53.7 Å²	53.7	48%	0.483	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	134.8	178.6	-63.5	-177.6	-173.4	-102.9	4.5	109.9	L442 A449 L478	L442-R444 HydrophobicContact CD1-CG 3.93Å; L442-R444 HydrophobicContact CD2-CG 4.34Å; L442-R444 VanDerWaalsContact CD2-NH2 3.33Å; L442-R444 HydrophobicContact CG-CG 4.05Å; R444-A449 HydrophobicContact CG-CB 4.36Å; R444-L478 VanDerWaalsContact NH1-CD2 3.35Å
445	N	80.5	Confident	86.5	Confident	83 Å²	83	46.3 Å²	46.3	44%	0.444	27%	0.266	S	S	.	.			trans	-113.2	-166.3	164.8	69.7	34	0	0	0	109.6	T447 H448 L478	N445-T447 VanDerWaalsContact C-N 3.29Å; N445-T447 PolarHBondContact O-N 3.41Å; N445-T447 PolarHBondContact OD1-N 3.02Å; N445-T447 PolarHBondContact OD1-OG1 3.23Å; N445-H448 PolarHBondContact N-O 2.76Å; N445-H448 PolarHBondContact OD1-N 3Å; N445-H448 PolarHBondContact OD1-O 2.64Å; N445-L478 VanDerWaalsContact O-CD1 3.27Å; N445-L478 WeakPolarHBondContact O-CD1 3.38Å
446	E	69.1	Low	86.5	Confident	70 Å²	70	44.8 Å²	44.8	33%	0.327	25%	0.253	S	S	.	.	S	Bend	trans	-72.5	-19.8	-175.6	-55.2	-172.5	149.4	0	0	114.1	V587 R596	E446-V587 HydrophobicContact CB-CG1 4.09Å; E446-V587 VanDerWaalsContact OE2-CG2 3.3Å; E446-V587 WeakPolarHBondContact OE2-CG2 3.21Å; E446-R596 PolarHBondContact O-NH1 3.4Å
447	T	69.7	Low	86.4	Confident	47 Å²	47	42.6 Å²	42.6	29%	0.288	23%	0.23	S	C	.	.	S	Bend	trans	-117.8	-32.7	-173.8	54.6	0	0	0	0	113.1	N445 L478 V587	N445-T447 VanDerWaalsContact C-N 3.29Å; N445-T447 PolarHBondContact O-N 3.41Å; N445-T447 PolarHBondContact OD1-N 3.02Å; N445-T447 PolarHBondContact OD1-OG1 3.23Å; T447-L478 PolarHBondContact O-N 3.15Å; T447-V587 HydrophobicContact CG2-CG1 3.76Å
448	H	80.3	Confident	86.2	Confident	67 Å²	67	40 Å²	40	31%	0.31	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	151.3	-171.1	-64.8	77.7	0	0	0	113.9	N445 S475 Y476	N445-H448 PolarHBondContact N-O 2.76Å; N445-H448 PolarHBondContact OD1-N 3Å; N445-H448 PolarHBondContact OD1-O 2.64Å; H448-S475 WeakPolarHBondContact CB-OG 3.16Å; H448-S475 PolarHBondContact CD2-OG 2.92Å; H448-S475 VanDerWaalsContact CD2-OG 3.24Å; H448-Y476 CarbonylContact C-O 3.5Å; H448-Y476 WeakPolarHBondContact CA-O 3.5Å
449	A	81.8	Confident	85.5	Confident	5 Å²	5	42.4 Å²	42.4	4%	0.041	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.1	162.5	0	0	0	0	0	108.6	L442 R444 Y451 Y476 L478	L442-A449 HydrophobicContact CD1-CB 3.83Å; R444-A449 HydrophobicContact CG-CB 4.36Å; A449-Y451 HydrophobicContact CB-CE2 4.35Å; A449-Y476 PolarHBondContact N-O 2.89Å; A449-Y476 PolarHBondContact O-N 2.81Å; A449-L478 HydrophobicContact CB-CD2 3.75Å; A449-L478 HydrophobicContact CB-CG 4.39Å
450	T	89.6	Confident	84.4	Confident	31 Å²	31	47 Å²	47	19%	0.19	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	113.7	178.3	-56.8	0	0	0	0	109.6	T443 A473 C474 S475	T443-T450 PolarHBondContact N-O 2.84Å; T443-T450 PolarHBondContact O-N 3.49Å; T443-T450 WeakPolarHBondContact OG1-CB 3.26Å; T443-T450 PolarHBondContact OG1-O 2.77Å; T450-A473 HydrophobicContact CG2-CB 3.84Å; T450-C474 WeakPolarHBondContact CA-O 3.42Å; T450-S475 PolarHBondContact OG1-OG 3.27Å
451	Y	92.9	Very high	82.8	Confident	34 Å²	34	53.8 Å²	53.8	13%	0.133	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	131.5	171	-60.7	-86.5	0	0	0	108.8	A433 T440 V441 L442 A449 A473 C474 Y476	A433-Y451 HydrophobicContact CB-CD2 4.06Å; A433-Y451 HydrophobicContact CB-CE2 4.27Å; A433-Y451 HydrophobicContact CB-CG 4.42Å; A433-Y451 VanDerWaalsContact O-CE1 3.32Å; A433-Y451 WeakPolarHBondContact O-CE1 3.26Å; A433-Y451 WeakPolarHBondContact O-CE2 3.5Å; A433-Y451 PolarHBondContact O-OH 2.85Å; T440-Y451 HydrophobicContact CG2-CD1 4.28Å; V441-Y451 WeakPolarHBondContact O-CA 3.46Å; L442-Y451 HydrophobicContact CB-CD1 3.88Å; L442-Y451 HydrophobicContact CB-CE1 3.83Å; L442-Y451 HydrophobicContact CD1-CD1 3.87Å; L442-Y451 HydrophobicContact CD1-CD2 4.41Å; L442-Y451 HydrophobicContact CD1-CE1 3.6Å; L442-Y451 HydrophobicContact CD1-CE2 4.2Å; L442-Y451 HydrophobicContact CD1-CG 4.26Å; L442-Y451 HydrophobicContact CD2-CE1 3.75Å; L442-Y451 HydrophobicContact CG-CD1 4.3Å; L442-Y451 HydrophobicContact CG-CE1 3.92Å; A449-Y451 HydrophobicContact CB-CE2 4.35Å; Y451-A473 CarbonylContact O-C 3.55Å; Y451-A473 WeakPolarHBondContact O-CA 3.37Å; Y451-A473 WeakPolarHBondContact O-CB 3.37Å; Y451-C474 PolarHBondContact N-O 3.39Å; Y451-C474 PolarHBondContact O-N 2.04Å; Y451-Y476 AromaticContact CD2-CD2 3.62Å; Y451-Y476 HydrophobicContact CD2-CD2 3.62Å; Y451-Y476 AromaticContact CD2-CE2 3.67Å; Y451-Y476 HydrophobicContact CD2-CE2 3.67Å; Y451-Y476 AromaticContact CE2-CD2 3.91Å; Y451-Y476 HydrophobicContact CE2-CD2 3.91Å; Y451-Y476 HydrophobicContact CE2-CE2 4.23Å
452	S	95.9	Very high	80.9	Confident	38 Å²	38	54.8 Å²	54.8	27%	0.266	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	148.7	-179.8	59	0	0	0	0	111.9	V441 F472	V441-S452 PolarHBondContact N-O 2.82Å; V441-S452 PolarHBondContact O-N 2.82Å; V441-S452 PolarHBondContact O-OG 3.47Å; S452-F472 WeakPolarHBondContact CA-O 3.42Å
453	N	95.1	Very high	79.2	Confident	8 Å²	8	56.2 Å²	56.2	4%	0.043	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	169.6	173.7	-154.8	-30.4	0	0	0	109.5	S411 C438 T440 F472	S411-N453 WeakPolarHBondContact CB-OD1 3.37Å; S411-N453 PolarHBondContact N-OD1 3.13Å; S411-N453 PolarHBondContact OG-OD1 2.85Å; C438-N453 PolarHBondContact O-ND2 3.05Å; T440-N453 PolarHBondContact N-ND2 2.8Å; T440-N453 PolarHBondContact OG1-ND2 3.14Å; N453-F472 HydrophobicContact CB-CE1 3.96Å; N453-F472 HydrophobicContact CB-CE2 4.19Å; N453-F472 HydrophobicContact CB-CZ 3.68Å; N453-F472 PolarHBondContact N-O 2.81Å; N453-F472 WeakPolarHBondContact O-CD1 3.22Å; N453-F472 PolarHBondContact O-N 3.3Å; N453-F472 VanDerWaalsContact O-O 3.13Å
454	T	93.8	Very high	77.5	Confident	26 Å²	26	61.8 Å²	61.8	16%	0.16	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.4	175.7	-55.3	0	0	0	0	108.7	L410 S411 Y456 K469 N471	L410-T454 CarbonylContact C-O 3.47Å; L410-T454 WeakPolarHBondContact CA-O 3.47Å; S411-T454 PolarHBondContact N-O 3.38Å; T454-Y456 HydrophobicContact CG2-CD2 4.23Å; T454-Y456 HydrophobicContact CG2-CE1 4.17Å; T454-Y456 HydrophobicContact CG2-CE2 3.65Å; T454-K469 HydrophobicContact CG2-CB 3.9Å; T454-N471 WeakPolarHBondContact CG2-OD1 3.18Å; T454-N471 PolarHBondContact OG1-OD1 2.98Å
455	L	91.2	Very high	76.2	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	131.2	169.4	171.1	66	0	0	0	109	V391 L393 M408 L410 V429 K469 I470 F472	V391-L455 HydrophobicContact CB-CD2 4.41Å; V391-L455 HydrophobicContact CG1-CD2 3.69Å; L393-L455 HydrophobicContact CD1-CD2 3.96Å; L393-L455 HydrophobicContact CG-CD2 4.28Å; M408-L455 HydrophobicContact CB-CD1 4.12Å; M408-L455 HydrophobicContact CE-CD1 4.15Å; M408-L455 HydrophobicContact CE-CD2 3.99Å; M408-L455 HydrophobicContact CG-CD1 4.4Å; L410-L455 HydrophobicContact CD2-CB 4.2Å; L410-L455 HydrophobicContact CD2-CD1 4.21Å; V429-L455 HydrophobicContact CB-CD1 4.5Å; V429-L455 HydrophobicContact CG2-CD1 3.56Å; L455-K469 CarbonylContact O-C 3.52Å; L455-K469 VanDerWaalsContact O-CA 3.28Å; L455-K469 WeakPolarHBondContact O-CA 3.05Å; L455-I470 HydrophobicContact CB-CB 4.31Å; L455-I470 HydrophobicContact CD2-CD1 4.39Å; L455-I470 PolarHBondContact N-O 3.09Å; L455-I470 PolarHBondContact O-N 3.14Å; L455-F472 HydrophobicContact CB-CD1 4.29Å; L455-F472 HydrophobicContact CB-CE1 4.04Å
456	Y	88	Confident	75.1	Confident	69 Å²	69	62.6 Å²	62.6	27%	0.271	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	144.1	174.3	-61.1	-94.7	0	0	0	109.2	M408 Y409 T454 I468 K469	M408-Y456 WeakPolarHBondContact CA-O 3.4Å; Y409-Y456 HydrophobicContact CD2-CD2 4.26Å; Y409-Y456 HydrophobicContact CD2-CG 4.32Å; Y409-Y456 VanDerWaalsContact CE2-CB 3.45Å; Y409-Y456 HydrophobicContact CE2-CD2 4.07Å; Y409-Y456 AromaticContact CE2-CG 3.79Å; Y409-Y456 HydrophobicContact CE2-CG 3.79Å; Y409-Y456 VanDerWaalsContact CZ-CB 3.46Å; Y409-Y456 PolarHBondContact N-O 2.03Å; Y409-Y456 PolarHBondContact O-N 3.33Å; T454-Y456 HydrophobicContact CG2-CD2 4.23Å; T454-Y456 HydrophobicContact CG2-CE1 4.17Å; T454-Y456 HydrophobicContact CG2-CE2 3.65Å; Y456-I468 WeakPolarHBondContact CA-O 3.41Å; Y456-K469 HydrophobicContact CD1-CB 4.22Å; Y456-K469 HydrophobicContact CE1-CB 4.24Å
457	L	85.6	Confident	74.8	Confident	3 Å²	3	64.5 Å²	64.5	2%	0.016	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	130.4	-179.2	167.3	69.9	0	0	0	109.5	L393 L398 F403 V406 F407 M408 I468	L393-L457 HydrophobicContact CD1-CD2 4.42Å; L398-L457 HydrophobicContact CD2-CD1 4.22Å; L398-L457 HydrophobicContact CD2-CD2 3.43Å; L398-L457 VanDerWaalsContact CD2-CD2 3.43Å; L398-L457 HydrophobicContact CD2-CG 4.49Å; F403-L457 HydrophobicContact CD1-CD1 4.04Å; F403-L457 HydrophobicContact CD1-CG 4.2Å; F403-L457 HydrophobicContact CE1-CD1 4.14Å; F403-L457 HydrophobicContact CE1-CD2 4.22Å; F403-L457 HydrophobicContact CE1-CG 3.79Å; F403-L457 HydrophobicContact CE2-CD2 4.28Å; F403-L457 HydrophobicContact CZ-CD2 4.08Å; F403-L457 HydrophobicContact CZ-CG 4.1Å; V406-L457 HydrophobicContact CG1-CD1 3.83Å; F407-L457 WeakPolarHBondContact O-CA 3.44Å; M408-L457 HydrophobicContact CG-CD1 3.78Å; L457-I468 HydrophobicContact CB-CB 4.11Å; L457-I468 HydrophobicContact CB-CG2 4.35Å; L457-I468 HydrophobicContact CD2-CB 4.29Å; L457-I468 HydrophobicContact CD2-CD1 3.76Å; L457-I468 HydrophobicContact CD2-CG2 4.25Å; L457-I468 HydrophobicContact CG-CD1 4.43Å; L457-I468 PolarHBondContact N-O 3.25Å
458	A	77.9	Confident	75.2	Confident	2 Å²	2	62.8 Å²	62.8	2%	0.017	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	156.4	176.5	0	0	0	0	0	111.6	F407 I463	F407-A458 HydrophobicContact CB-CB 4.3Å; F407-A458 WeakPolarHBondContact CB-O 3.41Å; F407-A458 PolarHBondContact N-O 3Å; F407-A458 PolarHBondContact O-N 3.45Å; A458-I463 HydrophobicContact CB-CG1 4.16Å
459	D	70.4	Confident	75.5	Confident	64 Å²	64	66.5 Å²	66.5	34%	0.342	33%	0.326	S	S	.	.	S	Bend	trans	-91.4	-37.9	177.6	54.9	-14.6	0	0	0	112.3	F403 F407	F403-D459 HydrophobicContact CD1-CB 3.76Å; F403-D459 HydrophobicContact CE1-CB 3.93Å; F407-D459 WeakPolarHBondContact CD2-O 3.4Å; F407-D459 WeakPolarHBondContact CE2-O 3.31Å
460	E	66.8	Low	75.8	Confident	122 Å²	122	67.9 Å²	67.9	57%	0.57	33%	0.332	S	S	*	.	S	Bend	trans	-125.2	162.4	174.8	-64.3	-160.5	157.8	0	0	113.1	I462	E460-I462 PolarHBondContact O-N 2.57Å
461	I	57.2	Low	76	Confident	145 Å²	145	72.1 Å²	72.1	74%	0.744	35%	0.354	S	S	*	.	S	Bend	trans	-62.9	-27.1	171.6	-61	172.6	0	0	0	111.2	F407	F407-I461 HydrophobicContact CE1-CG1 4.01Å; F407-I461 HydrophobicContact CE2-CG1 4.37Å; F407-I461 HydrophobicContact CZ-CD1 4.39Å; F407-I461 HydrophobicContact CZ-CG1 3.86Å
462	I	53.8	Low	76	Confident	99 Å²	99	71.4 Å²	71.4	51%	0.508	35%	0.351	S	S	.	.	S	Bend	trans	-103.3	86.6	177.7	-50.7	179.8	0	0	0	108.6	E460 R464	E460-I462 PolarHBondContact O-N 2.57Å; I462-R464 HydrophobicContact CG2-CG 4.19Å; I462-R464 PolarHBondContact O-N 3.39Å; I462-R464 VanDerWaalsContact O-N 3.12Å
463	I	55	Low	76	Confident	64 Å²	64	71.8 Å²	71.8	33%	0.328	36%	0.357	S	S	.	.			trans	-56.6	115.7	176.9	-52.2	167.6	0	0	0	109.7	Y409 A458 N467	Y409-I463 WeakPolarHBondContact OH-CD1 3.23Å; A458-I463 HydrophobicContact CB-CG1 4.16Å; I463-N467 VanDerWaalsContact CG2-ND2 3.34Å; I463-N467 WeakPolarHBondContact CG2-ND2 3.23Å; I463-N467 WeakPolarHBondContact CG2-OD1 3.08Å
464	R	53.5	Low	75.8	Confident	191 Å²	191	71.5 Å²	71.5	72%	0.721	36%	0.355	S	S	*	.			trans	-119.3	-45.3	177.1	-73.3	-179.4	178.3	-178.6	2.2	113.7	I462	I462-R464 HydrophobicContact CG2-CG 4.19Å; I462-R464 PolarHBondContact O-N 3.39Å; I462-R464 VanDerWaalsContact O-N 3.12Å
465	D	52.5	Low	75.6	Confident	142 Å²	142	73.4 Å²	73.4	76%	0.759	37%	0.37	S	S	*	.	S	Bend	trans	-124.3	-25.3	-162.9	-62	-67.6	0	0	0	116.1
466	L	57.3	Low	75.1	Confident	85 Å²	85	75.3 Å²	75.3	45%	0.445	38%	0.377	S	S	.	.			trans	-133.8	116.4	172.9	-91.3	96	0	0	0	113.8	I375 I468	I375-L466 HydrophobicContact CD1-CD2 3.68Å; L466-I468 HydrophobicContact CD2-CD1 4.39Å; L466-I468 HydrophobicContact CD2-CG1 4.41Å
467	N	63.2	Low	74.5	Confident	111 Å²	111	76.8 Å²	76.8	59%	0.594	40%	0.395	S	S	*	.			trans	-103.1	92	168.2	-88	-71.7	0	0	0	110	I463	I463-N467 VanDerWaalsContact CG2-ND2 3.34Å; I463-N467 WeakPolarHBondContact CG2-ND2 3.23Å; I463-N467 WeakPolarHBondContact CG2-OD1 3.08Å
468	I	77.5	Confident	73.8	Confident	11 Å²	11	77.3 Å²	77.3	6%	0.056	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	128.3	173.3	-62.7	168.2	0	0	0	108.6	I375 F403 Y456 L457 L466 I470	I375-I468 HydrophobicContact CB-CD1 4.44Å; I375-I468 HydrophobicContact CD1-CD1 3.65Å; I375-I468 HydrophobicContact CD1-CG1 3.8Å; I375-I468 HydrophobicContact CG1-CD1 3.61Å; I375-I468 HydrophobicContact CG1-CG1 4.19Å; I375-I468 HydrophobicContact CG2-CD1 3.93Å; I375-I468 HydrophobicContact CG2-CG1 4.12Å; I375-I468 HydrophobicContact CG2-CG2 3.73Å; F403-I468 HydrophobicContact CE2-CD1 3.83Å; F403-I468 HydrophobicContact CZ-CD1 3.53Å; Y456-I468 WeakPolarHBondContact CA-O 3.41Å; L457-I468 HydrophobicContact CB-CB 4.11Å; L457-I468 HydrophobicContact CB-CG2 4.35Å; L457-I468 HydrophobicContact CD2-CB 4.29Å; L457-I468 HydrophobicContact CD2-CD1 3.76Å; L457-I468 HydrophobicContact CD2-CG2 4.25Å; L457-I468 HydrophobicContact CG-CD1 4.43Å; L457-I468 PolarHBondContact N-O 3.25Å; L466-I468 HydrophobicContact CD2-CD1 4.39Å; L466-I468 HydrophobicContact CD2-CG1 4.41Å; I468-I470 HydrophobicContact CG2-CG1 4.24Å
469	K	86	Confident	73.6	Confident	144 Å²	144	80.1 Å²	80.1	63%	0.626	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.6	129.8	173.9	66.9	-177.5	-178.4	-179.5	0	111	T454 L455 Y456	T454-K469 HydrophobicContact CG2-CB 3.9Å; L455-K469 CarbonylContact O-C 3.52Å; L455-K469 VanDerWaalsContact O-CA 3.28Å; L455-K469 WeakPolarHBondContact O-CA 3.05Å; Y456-K469 HydrophobicContact CD1-CB 4.22Å; Y456-K469 HydrophobicContact CE1-CB 4.24Å
470	I	88.7	Confident	73.9	Confident	34 Å²	34	77.1 Å²	77.1	17%	0.174	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	112.9	-178.9	-57.8	175.7	0	0	0	107.5	L393 L455 I468	L393-I470 HydrophobicContact CD1-CD1 4.04Å; L393-I470 HydrophobicContact CD2-CD1 3.89Å; L455-I470 HydrophobicContact CB-CB 4.31Å; L455-I470 HydrophobicContact CD2-CD1 4.39Å; L455-I470 PolarHBondContact N-O 3.09Å; L455-I470 PolarHBondContact O-N 3.14Å; I468-I470 HydrophobicContact CG2-CG1 4.24Å
471	N	92.8	Very high	74.5	Confident	120 Å²	120	72.5 Å²	72.5	64%	0.642	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	131	176.8	-59.7	-27.8	0	0	0	109.2	T454	T454-N471 WeakPolarHBondContact CG2-OD1 3.18Å; T454-N471 PolarHBondContact OG1-OD1 2.98Å
472	F	94.2	Very high	75.5	Confident	19 Å²	19	69.5 Å²	69.5	8%	0.083	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	156	178	67.6	-86.1	0	0	0	111.7	L382 M389 V391 L410 T431 S452 N453 L455	L382-F472 HydrophobicContact CD1-CB 4.26Å; L382-F472 HydrophobicContact CD1-CD2 3.76Å; L382-F472 HydrophobicContact CD1-CG 4.35Å; L382-F472 HydrophobicContact CD2-CB 4.38Å; M389-F472 HydrophobicContact CB-CE2 4.32Å; M389-F472 HydrophobicContact CE-CE2 4.14Å; M389-F472 HydrophobicContact SD-CE2 4.5Å; V391-F472 HydrophobicContact CG2-CB 4.29Å; V391-F472 HydrophobicContact CG2-CD1 3.72Å; V391-F472 HydrophobicContact CG2-CD2 3.5Å; V391-F472 HydrophobicContact CG2-CE1 3.75Å; V391-F472 HydrophobicContact CG2-CE2 3.54Å; V391-F472 HydrophobicContact CG2-CG 3.57Å; V391-F472 HydrophobicContact CG2-CZ 3.65Å; L410-F472 HydrophobicContact CD2-CE1 3.73Å; L410-F472 HydrophobicContact CD2-CZ 3.84Å; T431-F472 HydrophobicContact CG2-CE2 4.3Å; T431-F472 HydrophobicContact CG2-CZ 4.2Å; S452-F472 WeakPolarHBondContact CA-O 3.42Å; N453-F472 HydrophobicContact CB-CE1 3.96Å; N453-F472 HydrophobicContact CB-CE2 4.19Å; N453-F472 HydrophobicContact CB-CZ 3.68Å; N453-F472 PolarHBondContact N-O 2.81Å; N453-F472 WeakPolarHBondContact O-CD1 3.22Å; N453-F472 PolarHBondContact O-N 3.3Å; N453-F472 VanDerWaalsContact O-O 3.13Å; L455-F472 HydrophobicContact CB-CD1 4.29Å; L455-F472 HydrophobicContact CB-CE1 4.04Å
473	A	94.6	Very high	76.7	Confident	47 Å²	47	65.5 Å²	65.5	39%	0.388	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	141.5	178.5	0	0	0	0	0	112.5	T450 Y451	T450-A473 HydrophobicContact CG2-CB 3.84Å; Y451-A473 CarbonylContact O-C 3.55Å; Y451-A473 WeakPolarHBondContact O-CA 3.37Å; Y451-A473 WeakPolarHBondContact O-CB 3.37Å
474	C	92.1	Very high	77.8	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.007	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	129.1	172.7	-70	0	0	0	0	110.4	C384 M389 T450 Y451 Y476	C384-C474 WeakPolarHBondContact CA-SG 3.48Å; C384-C474 HydrophobicContact CB-CB 3.63Å; C384-C474 WeakPolarHBondContact CB-SG 3.3Å; C384-C474 VanDerWaalsContact SG-CA 3.58Å; C384-C474 WeakPolarHBondContact SG-CB 3.38Å; C384-C474 CovalentContact SG-SG 2.03Å; C384-C474 PolarHBondContact SG-SG 2.87Å; M389-C474 HydrophobicContact CG-CB 3.95Å; M389-C474 HydrophobicContact SD-CB 3.54Å; M389-C474 VanDerWaalsContact SD-CB 3.54Å; T450-C474 WeakPolarHBondContact CA-O 3.42Å; Y451-C474 PolarHBondContact N-O 3.39Å; Y451-C474 PolarHBondContact O-N 2.04Å; C474-Y476 HydrophobicContact CB-CD2 4.39Å; C474-Y476 HydrophobicContact CB-CE2 3.5Å
475	S	88.8	Confident	79.1	Confident	67 Å²	67	61.9 Å²	61.9	47%	0.469	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.4	-178.8	-176.3	0	0	0	0	110.5	H448 T450	H448-S475 WeakPolarHBondContact CB-OG 3.16Å; H448-S475 PolarHBondContact CD2-OG 2.92Å; H448-S475 VanDerWaalsContact CD2-OG 3.24Å; T450-S475 PolarHBondContact OG1-OG 3.27Å
476	Y	81.1	Confident	80.1	Confident	42 Å²	42	60.2 Å²	60.2	17%	0.165	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.7	-177.5	-60.8	-94.3	0	0	0	110.1	G385 A433 H448 A449 Y451 C474 L478	G385-Y476 WeakPolarHBondContact O-CE1 3.42Å; G385-Y476 PolarHBondContact O-OH 2.86Å; A433-Y476 HydrophobicContact CB-CE2 4.01Å; H448-Y476 CarbonylContact C-O 3.5Å; H448-Y476 WeakPolarHBondContact CA-O 3.5Å; A449-Y476 PolarHBondContact N-O 2.89Å; A449-Y476 PolarHBondContact O-N 2.81Å; Y451-Y476 AromaticContact CD2-CD2 3.62Å; Y451-Y476 HydrophobicContact CD2-CD2 3.62Å; Y451-Y476 AromaticContact CD2-CE2 3.67Å; Y451-Y476 HydrophobicContact CD2-CE2 3.67Å; Y451-Y476 AromaticContact CE2-CD2 3.91Å; Y451-Y476 HydrophobicContact CE2-CD2 3.91Å; Y451-Y476 HydrophobicContact CE2-CE2 4.23Å; C474-Y476 HydrophobicContact CB-CD2 4.39Å; C474-Y476 HydrophobicContact CB-CE2 3.5Å; Y476-L478 PolarHBondContact O-N 2.86Å
477	P	75.7	Confident	80.9	Confident	100 Å²	100	57 Å²	57	65%	0.649	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.3	133.6	175.3	27	-33.9	0	0	0	110.3	D479	P477-D479 PolarHBondContact O-N 3.43Å
478	L	71.8	Confident	81.5	Confident	13 Å²	13	59.8 Å²	59.8	7%	0.068	33%	0.326	C	S	.	.			trans	-72.4	109.9	178.4	-73.6	167.4	0	0	0	109.9	R444 N445 T447 A449 Y476 M480 T518 R596	R444-L478 VanDerWaalsContact NH1-CD2 3.35Å; N445-L478 VanDerWaalsContact O-CD1 3.27Å; N445-L478 WeakPolarHBondContact O-CD1 3.38Å; T447-L478 PolarHBondContact O-N 3.15Å; A449-L478 HydrophobicContact CB-CD2 3.75Å; A449-L478 HydrophobicContact CB-CG 4.39Å; Y476-L478 PolarHBondContact O-N 2.86Å; L478-M480 PolarHBondContact O-N 2.88Å; L478-T518 HydrophobicContact CD2-CG2 4.01Å; L478-R596 PolarHBondContact O-NH2 3.08Å
479	D	73.3	Confident	81.8	Confident	62 Å²	62	65.7 Å²	65.7	33%	0.332	35%	0.353	S	S	.	.			trans	-84.2	108.1	173.8	-171.3	9.2	0	0	0	112.2	P477 K481 V482 Q594	P477-D479 PolarHBondContact O-N 3.43Å; D479-K481 PolarHBondContact O-N 2.93Å; D479-K481 VanDerWaalsContact OD1-CB 3.31Å; D479-K481 WeakPolarHBondContact OD1-CB 3.3Å; D479-K481 VanDerWaalsContact OD1-CG 3.24Å; D479-K481 WeakPolarHBondContact OD1-CG 3.49Å; D479-K481 PolarHBondContact OD1-N 3.01Å; D479-V482 HydrophobicContact CB-CG2 4.1Å; D479-V482 PolarHBondContact O-N 2.72Å; D479-Q594 PolarHBondContact OD1-NE2 3.15Å
480	M	76.1	Confident	81.9	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-60.4	-24.3	174.4	-60.9	-171.5	-75.6	0	0	112.7	L478 S483 L484 F512 Y517 T538 M539 Q594 R596	L478-M480 PolarHBondContact O-N 2.88Å; M480-S483 WeakPolarHBondContact O-CB 3.47Å; M480-S483 PolarHBondContact O-N 2.98Å; M480-L484 PolarHBondContact O-N 3.37Å; M480-L484 VanDerWaalsContact O-N 3.08Å; M480-F512 HydrophobicContact CB-CZ 4.03Å; M480-F512 HydrophobicContact CG-CZ 4.36Å; M480-F512 HydrophobicContact SD-CE2 3.98Å; M480-F512 HydrophobicContact SD-CZ 4.25Å; M480-Y517 VanDerWaalsContact SD-CB 3.6Å; M480-Y517 HydrophobicContact SD-CD1 4.04Å; M480-Y517 HydrophobicContact SD-CG 4.05Å; M480-T538 WeakPolarHBondContact CE-O 3.38Å; M480-M539 VanDerWaalsContact C-SD 3.6Å; M480-M539 HydrophobicContact CB-CE 3.41Å; M480-M539 VanDerWaalsContact CB-CE 3.41Å; M480-M539 HydrophobicContact CB-CG 4.18Å; M480-M539 HydrophobicContact CB-SD 3.58Å; M480-M539 VanDerWaalsContact CB-SD 3.58Å; M480-M539 HydrophobicContact CE-CE 4.35Å; M480-M539 HydrophobicContact CE-CG 3.92Å; M480-M539 HydrophobicContact CG-CE 4.44Å; M480-M539 HydrophobicContact SD-CE 4.27Å; M480-Q594 HydrophobicContact CE-CB 3.87Å; M480-Q594 HydrophobicContact CE-CG 4.35Å; M480-R596 HydrophobicContact CE-CG 3.76Å; M480-R596 HydrophobicContact SD-CG 3.99Å
481	K	79.6	Confident	81.8	Confident	24 Å²	24	59.5 Å²	59.5	10%	0.104	33%	0.329	C	S	.	.	H	α-helix	trans	-67.6	-36.9	179.8	-58	169.8	179.5	-160.8	0	112.3	D479 S483 L484 K485 M539 L540 D541	D479-K481 PolarHBondContact O-N 2.93Å; D479-K481 VanDerWaalsContact OD1-CB 3.31Å; D479-K481 WeakPolarHBondContact OD1-CB 3.3Å; D479-K481 VanDerWaalsContact OD1-CG 3.24Å; D479-K481 WeakPolarHBondContact OD1-CG 3.49Å; D479-K481 PolarHBondContact OD1-N 3.01Å; K481-S483 VanDerWaalsContact C-N 3.32Å; K481-L484 PolarHBondContact O-N 3.16Å; K481-K485 WeakPolarHBondContact O-CG 3.09Å; K481-K485 PolarHBondContact O-N 3.06Å; K481-K485 VanDerWaalsContact O-N 3.12Å; K481-M539 HydrophobicContact CB-SD 4.24Å; K481-M539 HydrophobicContact CG-CB 4.28Å; K481-M539 HydrophobicContact CG-CG 4.16Å; K481-M539 HydrophobicContact CG-SD 3.56Å; K481-M539 VanDerWaalsContact CG-SD 3.56Å; K481-M539 PolarHBondContact N-SD 3.27Å; K481-L540 WeakPolarHBondContact CE-O 3.08Å; K481-L540 PolarHBondContact NZ-O 3.07Å; K481-D541 VanDerWaalsContact CD-OD1 3.28Å; K481-D541 WeakPolarHBondContact CD-OD1 3.45Å; K481-D541 WeakPolarHBondContact CE-OD1 3.06Å; K481-D541 IonicContact NZ-OD1 3.51Å; K481-D541 PolarHBondContact NZ-OD1 2.04Å
482	V	78.3	Confident	81.8	Confident	82 Å²	82	56.7 Å²	56.7	50%	0.497	32%	0.316	S	S	.	.	H	α-helix	trans	-63.9	-43.5	175	178.8	0	0	0	0	109.3	D479 L484 K485 T486	D479-V482 HydrophobicContact CB-CG2 4.1Å; D479-V482 PolarHBondContact O-N 2.72Å; V482-L484 VanDerWaalsContact C-N 3.28Å; V482-L484 PolarHBondContact O-N 3.36Å; V482-K485 PolarHBondContact O-N 3.26Å; V482-T486 PolarHBondContact O-N 3.02Å; V482-T486 VanDerWaalsContact O-N 3.12Å; V482-T486 PolarHBondContact O-OG1 3.14Å
483	S	79.3	Confident	81.8	Confident	15 Å²	15	56.7 Å²	56.7	11%	0.105	32%	0.318	C	S	.	.	H	α-helix	trans	-61.7	-31.2	177.2	-55.3	0	0	0	0	113.6	M480 K481 T486 T518 P520	M480-S483 WeakPolarHBondContact O-CB 3.47Å; M480-S483 PolarHBondContact O-N 2.98Å; K481-S483 VanDerWaalsContact C-N 3.32Å; S483-T486 PolarHBondContact O-OG1 2.7Å; S483-T518 VanDerWaalsContact CB-O 3.28Å; S483-T518 WeakPolarHBondContact CB-O 3.46Å; S483-T518 WeakPolarHBondContact OG-CA 3.45Å; S483-T518 PolarHBondContact OG-O 3Å; S483-P520 WeakPolarHBondContact O-CG 3.46Å
484	L	78.6	Confident	81.8	Confident	8 Å²	8	57.6 Å²	57.6	4%	0.042	33%	0.326	C	S	.	.	H	α-helix	trans	-75.6	-34.7	171.1	-68	-177.9	0	0	0	113.1	M480 K481 V482 T486 P490 V492 A510 F512 P520 M539	M480-L484 PolarHBondContact O-N 3.37Å; M480-L484 VanDerWaalsContact O-N 3.08Å; K481-L484 PolarHBondContact O-N 3.16Å; V482-L484 VanDerWaalsContact C-N 3.28Å; V482-L484 PolarHBondContact O-N 3.36Å; L484-T486 VanDerWaalsContact C-N 3.33Å; L484-P490 HydrophobicContact CD2-CB 3.88Å; L484-V492 HydrophobicContact CD1-CG2 4.22Å; L484-A510 HydrophobicContact CD1-CB 4.09Å; L484-A510 HydrophobicContact CD2-CB 3.61Å; L484-A510 HydrophobicContact CG-CB 4.41Å; L484-F512 HydrophobicContact CD2-CE1 4.48Å; L484-F512 HydrophobicContact CD2-CZ 4.22Å; L484-F512 HydrophobicContact CG-CZ 4.48Å; L484-P520 HydrophobicContact CD2-CB 3.86Å; L484-P520 HydrophobicContact CD2-CG 4.2Å; L484-M539 HydrophobicContact CD1-CE 3.47Å; L484-M539 VanDerWaalsContact CD1-CE 3.47Å; L484-M539 HydrophobicContact CD1-SD 3.85Å; L484-M539 HydrophobicContact CG-CE 4.05Å
485	K	79.1	Confident	81.9	Confident	172 Å²	172	59.1 Å²	59.1	75%	0.748	33%	0.334	S	S	*	.	H	α-helix	trans	-70.8	-26.4	179.1	-75	179.1	177.8	-179	0	113.3	K481 V482	K481-K485 WeakPolarHBondContact O-CG 3.09Å; K481-K485 PolarHBondContact O-N 3.06Å; K481-K485 VanDerWaalsContact O-N 3.12Å; V482-K485 PolarHBondContact O-N 3.26Å
486	T	74.4	Confident	82	Confident	107 Å²	107	60.9 Å²	60.9	66%	0.656	34%	0.338	S	S	*	.	S	Bend	trans	-86.8	-14.1	179.2	52.5	0	0	0	0	113.8	V482 S483 L484	V482-T486 PolarHBondContact O-N 3.02Å; V482-T486 VanDerWaalsContact O-N 3.12Å; V482-T486 PolarHBondContact O-OG1 3.14Å; S483-T486 PolarHBondContact O-OG1 2.7Å; L484-T486 VanDerWaalsContact C-N 3.33Å
487	A	74.9	Confident	82.4	Confident	16 Å²	16	59.5 Å²	59.5	13%	0.132	33%	0.333	C	S	.	.	S	Bend	trans	-81.4	138.9	176.8	0	0	0	0	0	111.5	P490 P520 Q522	A487-P490 HydrophobicContact CB-CB 3.93Å; A487-P490 HydrophobicContact CB-CG 4.19Å; A487-P520 HydrophobicContact CB-CG 3.6Å; A487-Q522 HydrophobicContact CB-CG 4.41Å
488	L	75.7	Confident	82.8	Confident	170 Å²	170	64.2 Å²	64.2	89%	0.89	34%	0.338	S	S	*	.	S	Bend	trans	-69.5	-41.9	-176.8	-63.8	173.4	0	0	0	112.5
489	Q	83.1	Confident	83.3	Confident	135 Å²	135	65.6 Å²	65.6	63%	0.631	35%	0.347	S	S	*	.	S	Bend	trans	-145.6	70	177.3	-166.7	-177.9	6.1	0	0	111.2	Q522 G523	Q489-Q522 CarbonylContact O-C 3.34Å; Q489-Q522 WeakPolarHBondContact O-CA 3.21Å; Q489-Q522 VanDerWaalsContact O-CB 3.27Å; Q489-Q522 WeakPolarHBondContact O-CB 3.25Å; Q489-G523 PolarHBondContact O-N 3.11Å
490	P	87.3	Confident	83.1	Confident	35 Å²	35	66.3 Å²	66.3	23%	0.227	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-66.1	141.4	-177.8	28.2	-34.8	0	0	0	112.1	L484 A487 V492 P520 Y521	L484-P490 HydrophobicContact CD2-CB 3.88Å; A487-P490 HydrophobicContact CB-CB 3.93Å; A487-P490 HydrophobicContact CB-CG 4.19Å; P490-V492 PolarHBondContact O-N 3.48Å; P490-P520 HydrophobicContact CB-CB 4.31Å; P490-P520 HydrophobicContact CB-CG 4.36Å; P490-Y521 WeakPolarHBondContact CA-O 3.08Å
491	M	87.8	Confident	82.7	Confident	14 Å²	14	70.5 Å²	70.5	7%	0.069	41%	0.413	C	S	.	.			trans	-79.6	100.7	172.9	-166.8	176.6	-178.3	0	0	109.8	L511 Y521 G523 V526 L650 G651	M491-L511 HydrophobicContact SD-CD1 4.34Å; M491-Y521 PolarHBondContact N-O 2.78Å; M491-G523 WeakPolarHBondContact CB-O 3.47Å; M491-V526 HydrophobicContact SD-CG2 3.68Å; M491-L650 HydrophobicContact CG-CD2 4.29Å; M491-G651 VanDerWaalsContact CE-C 3.44Å; M491-G651 VanDerWaalsContact CE-O 3.24Å; M491-G651 WeakPolarHBondContact CE-O 3.27Å
492	V	92.8	Very high	82	Confident	61 Å²	61	71.2 Å²	71.2	37%	0.37	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	140.1	-172.1	64.3	0	0	0	0	111.6	L484 P490 R508 M509 A510	L484-V492 HydrophobicContact CD1-CG2 4.22Å; P490-V492 PolarHBondContact O-N 3.48Å; V492-R508 HydrophobicContact CG2-CB 4.01Å; V492-R508 HydrophobicContact CG2-CG 4.41Å; V492-M509 CarbonylContact C-O 3.28Å; V492-M509 WeakPolarHBondContact CA-O 3.46Å; V492-M509 WeakPolarHBondContact CG2-O 3.5Å; V492-A510 HydrophobicContact CB-CB 4.45Å; V492-A510 HydrophobicContact CG2-CB 4.34Å
493	S	94.4	Very high	81.9	Confident	19 Å²	19	69.1 Å²	69.1	13%	0.133	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	142.2	169.8	-162.7	0	0	0	0	108.4	R508 M509 N649	S493-R508 CarbonylContact O-C 3.51Å; S493-R508 VanDerWaalsContact O-CA 3.25Å; S493-R508 WeakPolarHBondContact O-CA 3.3Å; S493-M509 PolarHBondContact N-O 2.84Å; S493-M509 PolarHBondContact O-N 3.16Å; S493-N649 WeakPolarHBondContact CB-O 3.49Å; S493-N649 PolarHBondContact OG-N 3.08Å; S493-N649 PolarHBondContact OG-O 3.41Å
494	A	93.6	Very high	82.2	Confident	66 Å²	66	72.9 Å²	72.9	55%	0.545	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	143.9	-179.1	0	0	0	0	0	111.4	V507 R508	A494-V507 CarbonylContact C-O 3.58Å; A494-V507 WeakPolarHBondContact CA-O 3.31Å; A494-R508 HydrophobicContact CB-CG 4.14Å
495	L	93.8	Very high	82.8	Confident	33 Å²	33	72.5 Å²	72.5	17%	0.173	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	131.6	178.5	176.2	68.3	0	0	0	109.9	I497 T506 V507 V617 S645 L648	L495-I497 HydrophobicContact CD2-CD1 4.15Å; L495-I497 HydrophobicContact CD2-CG1 4.08Å; L495-I497 HydrophobicContact CG-CG1 4.17Å; L495-T506 CarbonylContact O-C 3.11Å; L495-T506 WeakPolarHBondContact O-CA 3.45Å; L495-V507 PolarHBondContact N-O 3.04Å; L495-V507 PolarHBondContact O-N 2.95Å; L495-V617 HydrophobicContact CD2-CG2 4.26Å; L495-S645 WeakPolarHBondContact CD1-O 3.4Å; L495-S645 WeakPolarHBondContact CD2-O 3.48Å; L495-L648 HydrophobicContact CB-CD2 3.63Å; L495-L648 HydrophobicContact CB-CG 4.18Å
496	N	92.1	Very high	83.4	Confident	103 Å²	103	66.3 Å²	66.3	55%	0.551	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	125.1	176.6	-64.1	-17.2	0	0	0	110.5	F505 T506	N496-F505 CarbonylContact C-O 3.58Å; N496-F505 WeakPolarHBondContact CA-O 3.31Å; N496-T506 WeakPolarHBondContact OD1-CG2 3.36Å; N496-T506 PolarHBondContact OD1-OG1 2.74Å; N496-T506 VanDerWaalsContact OD1-OG1 3.11Å
497	I	88.8	Confident	84.3	Confident	13 Å²	13	61.2 Å²	61.2	7%	0.067	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.1	-179.8	-56	179.3	0	0	0	108.2	L495 V499 F505 V507 V617 L619	L495-I497 HydrophobicContact CD2-CD1 4.15Å; L495-I497 HydrophobicContact CD2-CG1 4.08Å; L495-I497 HydrophobicContact CG-CG1 4.17Å; I497-V499 HydrophobicContact CG2-CG2 4.3Å; I497-F505 PolarHBondContact N-O 3.34Å; I497-F505 PolarHBondContact O-N 3Å; I497-V507 HydrophobicContact CD1-CG2 3.73Å; I497-V507 HydrophobicContact CG1-CG2 4.42Å; I497-V617 HydrophobicContact CD1-CG2 4.43Å; I497-L619 HydrophobicContact CB-CD1 4.18Å; I497-L619 HydrophobicContact CD1-CD1 4.28Å; I497-L619 HydrophobicContact CD1-CD2 4.41Å; I497-L619 HydrophobicContact CD1-CG 4.15Å; I497-L619 HydrophobicContact CG2-CD1 3.93Å
498	R	84.8	Confident	85.3	Confident	199 Å²	199	63 Å²	63	75%	0.751	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	128.8	173.5	-171.8	178.9	-65.8	-162.7	-0.2	109.5
499	V	81.2	Confident	86.2	Confident	42 Å²	42	54.9 Å²	54.9	26%	0.255	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.5	175.3	-176.5	0	0	0	0	108.5	I497 G501 T502 G503 F505 F548 L619	I497-V499 HydrophobicContact CG2-CG2 4.3Å; V499-G501 PolarHBondContact O-N 2.83Å; V499-T502 VanDerWaalsContact CB-OG1 3.31Å; V499-T502 WeakPolarHBondContact CB-OG1 3.34Å; V499-T502 WeakPolarHBondContact CG1-OG1 3.39Å; V499-T502 PolarHBondContact O-N 2.88Å; V499-G503 PolarHBondContact N-O 3.35Å; V499-G503 VanDerWaalsContact N-O 3.08Å; V499-G503 PolarHBondContact O-N 2.74Å; V499-F505 HydrophobicContact CB-CD2 4.44Å; V499-F505 HydrophobicContact CB-CE2 4.18Å; V499-F505 HydrophobicContact CG2-CD2 4Å; V499-F505 HydrophobicContact CG2-CE2 4.09Å; V499-F548 HydrophobicContact CG1-CZ 4.31Å; V499-L619 HydrophobicContact CG2-CD1 4.11Å
500	G	69.6	Low	86.8	Confident	77 Å²	77	48.4 Å²	48.4	79%	0.794	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	121.4	-174.8	0	0	0	0	0	111.6	T502	G500-T502 VanDerWaalsContact C-N 3.31Å; G500-T502 PolarHBondContact O-N 2.97Å
501	G	67.6	Low	87.2	Confident	90 Å²	90	46.8 Å²	46.8	93%	0.928	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-13.4	177.6	0	0	0	0	0	116.5	V499	V499-G501 PolarHBondContact O-N 2.83Å
502	T	65.9	Low	87.4	Confident	38 Å²	38	46.1 Å²	46.1	23%	0.233	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-4.8	-178.1	58.5	0	0	0	0	114.9	V499 G500 F548	V499-T502 VanDerWaalsContact CB-OG1 3.31Å; V499-T502 WeakPolarHBondContact CB-OG1 3.34Å; V499-T502 WeakPolarHBondContact CG1-OG1 3.39Å; V499-T502 PolarHBondContact O-N 2.88Å; G500-T502 VanDerWaalsContact C-N 3.31Å; G500-T502 PolarHBondContact O-N 2.97Å; T502-F548 HydrophobicContact CG2-CE2 4.28Å; T502-F548 HydrophobicContact CG2-CZ 4.44Å
503	G	75.1	Confident	87.3	Confident	38 Å²	38	47.1 Å²	47.1	39%	0.392	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	111.7	-157.6	168.4	0	0	0	0	0	114.7	V499	V499-G503 PolarHBondContact N-O 3.35Å; V499-G503 VanDerWaalsContact N-O 3.08Å; V499-G503 PolarHBondContact O-N 2.74Å
504	M	85.8	Confident	86.9	Confident	94 Å²	94	47.6 Å²	47.6	46%	0.463	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129.8	178.5	-166.8	-177.6	-49.6	0	0	109.8
505	F	90.3	Very high	86.6	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	146.6	177.2	-64.7	-96.1	0	0	0	109.2	N496 I497 V499 L540 D541 G542 F548 L619	N496-F505 CarbonylContact C-O 3.58Å; N496-F505 WeakPolarHBondContact CA-O 3.31Å; I497-F505 PolarHBondContact N-O 3.34Å; I497-F505 PolarHBondContact O-N 3Å; V499-F505 HydrophobicContact CB-CD2 4.44Å; V499-F505 HydrophobicContact CB-CE2 4.18Å; V499-F505 HydrophobicContact CG2-CD2 4Å; V499-F505 HydrophobicContact CG2-CE2 4.09Å; F505-L540 HydrophobicContact CB-CD1 3.84Å; F505-L540 HydrophobicContact CD1-CD1 3.81Å; F505-L540 HydrophobicContact CD1-CD2 4.08Å; F505-L540 HydrophobicContact CD1-CG 4.03Å; F505-L540 HydrophobicContact CE1-CD2 4.41Å; F505-L540 HydrophobicContact CG-CD1 4.22Å; F505-D541 CarbonylContact C-O 3.28Å; F505-D541 WeakPolarHBondContact CA-O 3.47Å; F505-G542 WeakPolarHBondContact CD1-O 3.43Å; F505-G542 VanDerWaalsContact CE1-O 3.29Å; F505-G542 WeakPolarHBondContact CE1-O 3.16Å; F505-F548 AromaticContact CE1-CD2 3.92Å; F505-F548 HydrophobicContact CE1-CD2 3.92Å; F505-F548 HydrophobicContact CE2-CD2 4.32Å; F505-F548 HydrophobicContact CE2-CE2 4.29Å; F505-F548 AromaticContact CZ-CD2 3.48Å; F505-F548 HydrophobicContact CZ-CD2 3.48Å; F505-F548 VanDerWaalsContact CZ-CD2 3.48Å; F505-F548 AromaticContact CZ-CE2 3.76Å; F505-F548 HydrophobicContact CZ-CE2 3.76Å; F505-F548 HydrophobicContact CZ-CG 4.35Å; F505-L619 HydrophobicContact CB-CD1 3.82Å; F505-L619 HydrophobicContact CD1-CD1 4.33Å; F505-L619 HydrophobicContact CD2-CD1 4Å; F505-L619 HydrophobicContact CG-CD1 3.79Å
506	T	92.4	Very high	86	Confident	42 Å²	42	46.6 Å²	46.6	26%	0.258	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.4	171.6	-57.6	0	0	0	0	108	L495 N496 R508 D541	L495-T506 CarbonylContact O-C 3.11Å; L495-T506 WeakPolarHBondContact O-CA 3.45Å; N496-T506 WeakPolarHBondContact OD1-CG2 3.36Å; N496-T506 PolarHBondContact OD1-OG1 2.74Å; N496-T506 VanDerWaalsContact OD1-OG1 3.11Å; T506-R508 HydrophobicContact CG2-CG 4.18Å; T506-D541 PolarHBondContact N-O 2.87Å; T506-D541 PolarHBondContact O-N 3.23Å
507	V	94.1	Very high	85.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	132.6	171.3	-165.1	0	0	0	0	108.6	A494 L495 I497 M539 L540 L550 V617 L619 L648	A494-V507 CarbonylContact C-O 3.58Å; A494-V507 WeakPolarHBondContact CA-O 3.31Å; L495-V507 PolarHBondContact N-O 3.04Å; L495-V507 PolarHBondContact O-N 2.95Å; I497-V507 HydrophobicContact CD1-CG2 3.73Å; I497-V507 HydrophobicContact CG1-CG2 4.42Å; V507-M539 CarbonylContact C-O 3.57Å; V507-M539 VanDerWaalsContact CA-O 3.31Å; V507-M539 WeakPolarHBondContact CA-O 3.47Å; V507-M539 WeakPolarHBondContact CG1-O 3.46Å; V507-L540 HydrophobicContact CG2-CD1 3.92Å; V507-L550 HydrophobicContact CG1-CD1 3.78Å; V507-L550 HydrophobicContact CG1-CD2 4.12Å; V507-L550 HydrophobicContact CG2-CD1 4.36Å; V507-V617 HydrophobicContact CB-CG2 4.29Å; V507-V617 HydrophobicContact CG1-CB 4.5Å; V507-V617 HydrophobicContact CG1-CG1 4.37Å; V507-V617 HydrophobicContact CG1-CG2 4.11Å; V507-V617 HydrophobicContact CG2-CG2 4.18Å; V507-L619 HydrophobicContact CG2-CD2 4.12Å; V507-L648 HydrophobicContact CB-CD1 4.09Å; V507-L648 HydrophobicContact CG1-CD1 3.64Å
508	R	94.8	Very high	85.6	Confident	53 Å²	53	42.9 Å²	42.9	20%	0.2	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	138	174.9	-66.1	-174.9	-73.9	159.3	-0	110.4	V492 S493 A494 T506 T538 M539 D541	V492-R508 HydrophobicContact CG2-CB 4.01Å; V492-R508 HydrophobicContact CG2-CG 4.41Å; S493-R508 CarbonylContact O-C 3.51Å; S493-R508 VanDerWaalsContact O-CA 3.25Å; S493-R508 WeakPolarHBondContact O-CA 3.3Å; A494-R508 HydrophobicContact CB-CG 4.14Å; T506-R508 HydrophobicContact CG2-CG 4.18Å; R508-T538 CarbonylContact O-C 3.5Å; R508-T538 VanDerWaalsContact O-CA 3.26Å; R508-T538 WeakPolarHBondContact O-CA 3.45Å; R508-M539 PolarHBondContact N-O 3.36Å; R508-M539 PolarHBondContact O-N 2.67Å; R508-D541 IonicContact CZ-OD2 3Å; R508-D541 IonicContact NE-OD2 3.13Å; R508-D541 PolarHBondContact NE-OD2 2.95Å; R508-D541 VanDerWaalsContact NH2-CG 3.32Å; R508-D541 IonicContact NH2-OD1 2.69Å; R508-D541 PolarHBondContact NH2-OD1 2.91Å; R508-D541 IonicContact NH2-OD2 2.77Å; R508-D541 PolarHBondContact NH2-OD2 2.91Å
509	M	95.8	Very high	85.6	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135.5	170	-175.3	169.7	70.5	0	0	109.1	V492 S493 V536 G537 T538 L613 C615 L648 L650	V492-M509 CarbonylContact C-O 3.28Å; V492-M509 WeakPolarHBondContact CA-O 3.46Å; V492-M509 WeakPolarHBondContact CG2-O 3.5Å; S493-M509 PolarHBondContact N-O 2.84Å; S493-M509 PolarHBondContact O-N 3.16Å; M509-V536 HydrophobicContact CG-CG1 3.94Å; M509-V536 HydrophobicContact SD-CG1 4.05Å; M509-G537 CarbonylContact C-O 2.99Å; M509-G537 WeakPolarHBondContact CA-O 3.33Å; M509-T538 HydrophobicContact CB-CG2 4.04Å; M509-T538 HydrophobicContact CG-CG2 3.84Å; M509-T538 HydrophobicContact SD-CG2 4.21Å; M509-L613 HydrophobicContact CE-CD2 4.42Å; M509-L613 HydrophobicContact CE-CG 4.38Å; M509-L613 HydrophobicContact SD-CD2 4.44Å; M509-C615 HydrophobicContact CE-CB 4.39Å; M509-C615 HydrophobicContact SD-CB 3.66Å; M509-L648 HydrophobicContact CB-CB 4Å; M509-L648 HydrophobicContact CB-CD1 4.02Å; M509-L648 HydrophobicContact CB-CG 4.41Å; M509-L648 HydrophobicContact CE-CB 3.9Å; M509-L648 WeakPolarHBondContact CE-O 3.07Å; M509-L648 HydrophobicContact SD-CB 4.28Å; M509-L650 HydrophobicContact CB-CD1 4.21Å; M509-L650 HydrophobicContact CE-CB 3.99Å; M509-L650 HydrophobicContact CE-CD1 3.73Å; M509-L650 HydrophobicContact CE-CG 3.7Å; M509-L650 HydrophobicContact CG-CD1 3.75Å; M509-L650 HydrophobicContact SD-CD1 4.44Å
510	A	95.1	Very high	86.1	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	158.3	178.6	0	0	0	0	0	112.3	L484 V492 F512 G537 M539	L484-A510 HydrophobicContact CD1-CB 4.09Å; L484-A510 HydrophobicContact CD2-CB 3.61Å; L484-A510 HydrophobicContact CG-CB 4.41Å; V492-A510 HydrophobicContact CB-CB 4.45Å; V492-A510 HydrophobicContact CG2-CB 4.34Å; A510-F512 HydrophobicContact CB-CE2 3.9Å; A510-F512 HydrophobicContact CB-CZ 4.09Å; A510-G537 PolarHBondContact N-O 2.94Å; A510-G537 PolarHBondContact O-N 3.24Å; A510-M539 HydrophobicContact CB-CE 4.42Å
511	L	94.6	Very high	87.1	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	137.3	179.3	-55.2	-179.7	0	0	0	110.2	M491 P520 Y521 V526 L534 V536 L613 L650 I653	M491-L511 HydrophobicContact SD-CD1 4.34Å; L511-P520 CarbonylContact O-C 3.52Å; L511-P520 VanDerWaalsContact O-CA 3.25Å; L511-P520 WeakPolarHBondContact O-CA 3.38Å; L511-Y521 HydrophobicContact CB-CD2 3.78Å; L511-Y521 PolarHBondContact O-N 3.04Å; L511-V526 HydrophobicContact CD1-CB 4.43Å; L511-V526 HydrophobicContact CD1-CG2 3.61Å; L511-L534 HydrophobicContact CB-CD1 4.08Å; L511-L534 HydrophobicContact CD1-CD1 4.27Å; L511-L534 HydrophobicContact CD2-CD1 4.12Å; L511-L534 HydrophobicContact CD2-CD2 4.03Å; L511-L534 HydrophobicContact CD2-CG 4.19Å; L511-L534 HydrophobicContact CG-CD1 4.36Å; L511-V536 HydrophobicContact CD2-CG1 4.28Å; L511-V536 HydrophobicContact CD2-CG2 3.87Å; L511-L613 HydrophobicContact CD2-CD2 4Å; L511-L650 HydrophobicContact CD1-CD1 4.46Å; L511-L650 HydrophobicContact CD2-CD1 3.92Å; L511-L650 HydrophobicContact CG-CD1 3.83Å; L511-I653 HydrophobicContact CD1-CD1 4.3Å; L511-I653 HydrophobicContact CD1-CG1 4.21Å
512	F	93.1	Very high	88	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	147.5	-176.5	-62.4	-90	0	0	0	112.4	M480 L484 A510 Y517 Q519 P520 Y521 Y535 M539	M480-F512 HydrophobicContact CB-CZ 4.03Å; M480-F512 HydrophobicContact CG-CZ 4.36Å; M480-F512 HydrophobicContact SD-CE2 3.98Å; M480-F512 HydrophobicContact SD-CZ 4.25Å; L484-F512 HydrophobicContact CD2-CE1 4.48Å; L484-F512 HydrophobicContact CD2-CZ 4.22Å; L484-F512 HydrophobicContact CG-CZ 4.48Å; A510-F512 HydrophobicContact CB-CE2 3.9Å; A510-F512 HydrophobicContact CB-CZ 4.09Å; F512-Y517 VanDerWaalsContact CD1-O 3.23Å; F512-Y517 WeakPolarHBondContact CD1-O 3.33Å; F512-Y517 HydrophobicContact CD2-CD1 4.02Å; F512-Y517 WeakPolarHBondContact CE1-O 3.06Å; F512-Y517 HydrophobicContact CG-CD1 4.47Å; F512-Q519 CarbonylContact C-O 3.57Å; F512-Q519 WeakPolarHBondContact CA-O 3.37Å; F512-P520 HydrophobicContact CD1-CB 4.08Å; F512-P520 HydrophobicContact CE1-CB 3.97Å; F512-Y521 VanDerWaalsContact O-CE2 3.28Å; F512-Y521 WeakPolarHBondContact O-CE2 3.37Å; F512-Y535 PolarHBondContact N-O 2.98Å; F512-M539 HydrophobicContact CE2-CE 4.15Å; F512-M539 HydrophobicContact CZ-CE 3.82Å
513	Q	89.6	Confident	89	Confident	82 Å²	82	34.7 Å²	34.7	38%	0.383	19%	0.192	S	C	.	.	S	Bend	trans	-85	-24.2	-179.5	-60.8	-179.7	59.7	0	0	112.4	Q519 P520 Y521	Q513-Q519 HydrophobicContact CB-CB 4.35Å; Q513-Q519 HydrophobicContact CB-CG 4.39Å; Q513-Q519 PolarHBondContact N-O 2.99Å; Q513-P520 PolarHBondContact NE2-O 2.91Å; Q513-Y521 HydrophobicContact CB-CE2 4.43Å; Q513-Y521 HydrophobicContact CG-CD1 3.8Å; Q513-Y521 HydrophobicContact CG-CD2 3.92Å; Q513-Y521 HydrophobicContact CG-CE1 3.63Å; Q513-Y521 HydrophobicContact CG-CE2 3.76Å; Q513-Y521 HydrophobicContact CG-CG 3.94Å
514	T	87.5	Confident	89.4	Confident	30 Å²	30	37.6 Å²	37.6	18%	0.184	21%	0.207	C	C	.	.	S	Bend	trans	-115.2	147.5	-172	54.8	0	0	0	0	112.2	S516 Y517 T518 Q519	T514-S516 PolarHBondContact O-N 3.38Å; T514-S516 VanDerWaalsContact O-N 3.14Å; T514-S516 PolarHBondContact OG1-OG 3.34Å; T514-Y517 PolarHBondContact O-N 2.9Å; T514-T518 PolarHBondContact OG1-N 2.93Å; T514-T518 PolarHBondContact OG1-OG1 2.77Å; T514-Q519 HydrophobicContact CG2-CB 4.04Å; T514-Q519 PolarHBondContact OG1-N 3.42Å
515	P	86.8	Confident	89.5	Confident	60 Å²	60	35.8 Å²	35.8	39%	0.39	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-13.8	175	25.8	-34.7	0	0	0	114.2	Y517 Y535	P515-Y517 VanDerWaalsContact C-N 3.32Å; P515-Y517 WeakPolarHBondContact O-CD2 3.4Å; P515-Y517 WeakPolarHBondContact O-CE2 3.07Å; P515-Y535 VanDerWaalsContact CA-CE1 3.49Å; P515-Y535 HydrophobicContact CB-CD1 4.32Å; P515-Y535 HydrophobicContact CB-CE1 3.64Å; P515-Y535 HydrophobicContact CB-CE2 4.43Å
516	S	81.8	Confident	89.5	Confident	17 Å²	17	35.8 Å²	35.8	12%	0.119	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	1.5	172.4	50.2	0	0	0	0	113.8	T514 T518	T514-S516 PolarHBondContact O-N 3.38Å; T514-S516 VanDerWaalsContact O-N 3.14Å; T514-S516 PolarHBondContact OG1-OG 3.34Å; S516-T518 WeakPolarHBondContact O-CG2 3.42Å; S516-T518 PolarHBondContact O-N 3.43Å; S516-T518 PolarHBondContact OG-OG1 2.04Å; S516-T518 VanDerWaalsContact OG-OG1 3.11Å
517	Y	88.9	Confident	89.4	Confident	1 Å²	1	37.3 Å²	37.3	0%	0.004	21%	0.213	C	C	.	.	S	Bend	trans	55.2	34.4	178.7	-54.4	-101.7	0	0	0	113.5	M480 F512 T514 P515 V536 V587 R596 F597	M480-Y517 VanDerWaalsContact SD-CB 3.6Å; M480-Y517 HydrophobicContact SD-CD1 4.04Å; M480-Y517 HydrophobicContact SD-CG 4.05Å; F512-Y517 VanDerWaalsContact CD1-O 3.23Å; F512-Y517 WeakPolarHBondContact CD1-O 3.33Å; F512-Y517 HydrophobicContact CD2-CD1 4.02Å; F512-Y517 WeakPolarHBondContact CE1-O 3.06Å; F512-Y517 HydrophobicContact CG-CD1 4.47Å; T514-Y517 PolarHBondContact O-N 2.9Å; P515-Y517 VanDerWaalsContact C-N 3.32Å; P515-Y517 WeakPolarHBondContact O-CD2 3.4Å; P515-Y517 WeakPolarHBondContact O-CE2 3.07Å; Y517-V536 WeakPolarHBondContact CE1-O 3.46Å; Y517-V587 HydrophobicContact CE2-CG2 4.43Å; Y517-R596 HydrophobicContact CD1-CG 4.21Å; Y517-R596 HydrophobicContact CD2-CG 4.4Å; Y517-R596 HydrophobicContact CE1-CB 3.96Å; Y517-R596 HydrophobicContact CE1-CG 4.15Å; Y517-R596 HydrophobicContact CE2-CB 4.2Å; Y517-R596 HydrophobicContact CE2-CG 4.36Å; Y517-R596 HydrophobicContact CG-CG 4.36Å; Y517-F597 PolarHBondContact OH-O 2.04Å
518	T	82.5	Confident	89.1	Confident	38 Å²	38	37.5 Å²	37.5	23%	0.233	21%	0.214	C	C	.	.			trans	-107.3	-20.6	-175.1	50.9	0	0	0	0	115.2	L478 S483 T514 S516 P520	L478-T518 HydrophobicContact CD2-CG2 4.01Å; S483-T518 VanDerWaalsContact CB-O 3.28Å; S483-T518 WeakPolarHBondContact CB-O 3.46Å; S483-T518 WeakPolarHBondContact OG-CA 3.45Å; S483-T518 PolarHBondContact OG-O 3Å; T514-T518 PolarHBondContact OG1-N 2.93Å; T514-T518 PolarHBondContact OG1-OG1 2.77Å; S516-T518 WeakPolarHBondContact O-CG2 3.42Å; S516-T518 PolarHBondContact O-N 3.43Å; S516-T518 PolarHBondContact OG-OG1 2.04Å; S516-T518 VanDerWaalsContact OG-OG1 3.11Å; T518-P520 WeakPolarHBondContact O-CD 3.02Å
519	Q	85.7	Confident	88.8	Confident	99 Å²	99	37.7 Å²	37.7	46%	0.463	22%	0.223	S	C	.	.	S	Bend	trans	-116.6	94.3	-178.1	-170.3	179.7	8.5	0	0	109.6	F512 Q513 T514	F512-Q519 CarbonylContact C-O 3.57Å; F512-Q519 WeakPolarHBondContact CA-O 3.37Å; Q513-Q519 HydrophobicContact CB-CB 4.35Å; Q513-Q519 HydrophobicContact CB-CG 4.39Å; Q513-Q519 PolarHBondContact N-O 2.99Å; T514-Q519 HydrophobicContact CG2-CB 4.04Å; T514-Q519 PolarHBondContact OG1-N 3.42Å
520	P	91.4	Very high	88.2	Confident	7 Å²	7	40.3 Å²	40.3	5%	0.045	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-66.6	153	179.4	28.4	-35.5	0	0	0	111.5	S483 L484 A487 P490 L511 F512 Q513 T518	S483-P520 WeakPolarHBondContact O-CG 3.46Å; L484-P520 HydrophobicContact CD2-CB 3.86Å; L484-P520 HydrophobicContact CD2-CG 4.2Å; A487-P520 HydrophobicContact CB-CG 3.6Å; P490-P520 HydrophobicContact CB-CB 4.31Å; P490-P520 HydrophobicContact CB-CG 4.36Å; L511-P520 CarbonylContact O-C 3.52Å; L511-P520 VanDerWaalsContact O-CA 3.25Å; L511-P520 WeakPolarHBondContact O-CA 3.38Å; F512-P520 HydrophobicContact CD1-CB 4.08Å; F512-P520 HydrophobicContact CE1-CB 3.97Å; Q513-P520 PolarHBondContact NE2-O 2.91Å; T518-P520 WeakPolarHBondContact O-CD 3.02Å
521	Y	91.1	Very high	87.7	Confident	43 Å²	43	47.2 Å²	47.2	17%	0.169	27%	0.271	C	S	.	.			trans	-68	147.6	163.2	-76.6	-82.7	0	0	0	109.9	P490 M491 L511 F512 Q513 V526 L528 L534	P490-Y521 WeakPolarHBondContact CA-O 3.08Å; M491-Y521 PolarHBondContact N-O 2.78Å; L511-Y521 HydrophobicContact CB-CD2 3.78Å; L511-Y521 PolarHBondContact O-N 3.04Å; F512-Y521 VanDerWaalsContact O-CE2 3.28Å; F512-Y521 WeakPolarHBondContact O-CE2 3.37Å; Q513-Y521 HydrophobicContact CB-CE2 4.43Å; Q513-Y521 HydrophobicContact CG-CD1 3.8Å; Q513-Y521 HydrophobicContact CG-CD2 3.92Å; Q513-Y521 HydrophobicContact CG-CE1 3.63Å; Q513-Y521 HydrophobicContact CG-CE2 3.76Å; Q513-Y521 HydrophobicContact CG-CG 3.94Å; Y521-V526 HydrophobicContact CD1-CB 4.46Å; Y521-V526 HydrophobicContact CD1-CG1 3.86Å; Y521-V526 HydrophobicContact CD1-CG2 4Å; Y521-V526 HydrophobicContact CD2-CG1 4.14Å; Y521-V526 HydrophobicContact CD2-CG2 4.04Å; Y521-V526 HydrophobicContact CE1-CG1 3.7Å; Y521-V526 HydrophobicContact CE2-CG1 3.97Å; Y521-V526 HydrophobicContact CG-CG1 4.09Å; Y521-V526 HydrophobicContact CG-CG2 3.66Å; Y521-L528 VanDerWaalsContact OH-CD2 3.24Å; Y521-L528 WeakPolarHBondContact OH-CD2 3.25Å; Y521-L534 HydrophobicContact CD2-CD1 4.47Å; Y521-L534 HydrophobicContact CE2-CD1 3.97Å
522	Q	86.8	Confident	87.4	Confident	98 Å²	98	48.6 Å²	48.6	46%	0.458	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-121.1	152.4	179.3	-62.7	-171.3	38.1	0	0	111.3	A487 Q489	A487-Q522 HydrophobicContact CB-CG 4.41Å; Q489-Q522 CarbonylContact O-C 3.34Å; Q489-Q522 WeakPolarHBondContact O-CA 3.21Å; Q489-Q522 VanDerWaalsContact O-CB 3.27Å; Q489-Q522 WeakPolarHBondContact O-CB 3.25Å
523	G	86.4	Confident	87.3	Confident	27 Å²	27	50.8 Å²	50.8	28%	0.278	29%	0.292	S	S	.	.	S	Bend	trans	89.5	-165.2	-176.9	0	0	0	0	0	114	Q489 M491	Q489-G523 PolarHBondContact O-N 3.11Å; M491-G523 WeakPolarHBondContact CB-O 3.47Å
524	S	83.6	Confident	87.4	Confident	99 Å²	99	46.9 Å²	46.9	69%	0.692	27%	0.274	S	S	*	.	S	Bend	trans	-97.5	-0.5	-169.4	57.9	0	0	0	0	115.3	P652	S524-P652 WeakPolarHBondContact O-CD 3.5Å
525	S	87.8	Confident	87.8	Confident	55 Å²	55	47.2 Å²	47.2	39%	0.385	27%	0.272	S	S	.	.			trans	-155.9	141.2	-176.3	59.6	0	0	0	0	111.3	P652	S525-P652 WeakPolarHBondContact CA-O 3.43Å
526	V	90.4	Very high	88.2	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	146.5	172.7	177.3	0	0	0	0	110.3	M491 L511 Y521 L528 L534 P652 I653 T654	M491-V526 HydrophobicContact SD-CG2 3.68Å; L511-V526 HydrophobicContact CD1-CB 4.43Å; L511-V526 HydrophobicContact CD1-CG2 3.61Å; Y521-V526 HydrophobicContact CD1-CB 4.46Å; Y521-V526 HydrophobicContact CD1-CG1 3.86Å; Y521-V526 HydrophobicContact CD1-CG2 4Å; Y521-V526 HydrophobicContact CD2-CG1 4.14Å; Y521-V526 HydrophobicContact CD2-CG2 4.04Å; Y521-V526 HydrophobicContact CE1-CG1 3.7Å; Y521-V526 HydrophobicContact CE2-CG1 3.97Å; Y521-V526 HydrophobicContact CG-CG1 4.09Å; Y521-V526 HydrophobicContact CG-CG2 3.66Å; V526-L528 HydrophobicContact CG1-CD2 3.7Å; V526-L528 HydrophobicContact CG1-CG 3.91Å; V526-L534 HydrophobicContact CG1-CD1 4.48Å; V526-P652 PolarHBondContact N-O 3.25Å; V526-I653 HydrophobicContact CB-CG1 4.46Å; V526-T654 PolarHBondContact O-N 3.46Å; V526-T654 PolarHBondContact O-OG1 2.88Å
527	T	89	Confident	88.8	Confident	74 Å²	74	43.6 Å²	43.6	45%	0.454	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120.7	174.2	-56.6	0	0	0	0	110.7	T654 K656	T527-T654 CarbonylContact C-O 3.57Å; T527-T654 VanDerWaalsContact CA-O 3.28Å; T527-T654 WeakPolarHBondContact CA-O 3.45Å; T527-T654 PolarHBondContact OG1-OG1 2.94Å; T527-K656 HydrophobicContact CG2-CB 3.72Å; T527-K656 HydrophobicContact CG2-CG 4.07Å
528	L	89	Confident	89.1	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	150.7	-175.3	-55	174.2	0	0	0	111.8	Y521 V526 A532 L534 M601 F602 I653 T654 R655 K656	Y521-L528 VanDerWaalsContact OH-CD2 3.24Å; Y521-L528 WeakPolarHBondContact OH-CD2 3.25Å; V526-L528 HydrophobicContact CG1-CD2 3.7Å; V526-L528 HydrophobicContact CG1-CG 3.91Å; L528-A532 HydrophobicContact CB-CB 4.31Å; L528-L534 HydrophobicContact CD1-CB 3.88Å; L528-L534 HydrophobicContact CD1-CD1 4.2Å; L528-L534 HydrophobicContact CD1-CD2 4.4Å; L528-L534 HydrophobicContact CD1-CG 4.39Å; L528-L534 HydrophobicContact CD2-CD1 4.41Å; L528-M601 HydrophobicContact CD1-CB 4.12Å; L528-F602 HydrophobicContact CB-CD2 4.11Å; L528-F602 HydrophobicContact CB-CE2 4.01Å; L528-F602 HydrophobicContact CD1-CE2 4.4Å; L528-I653 HydrophobicContact CD1-CG2 3.72Å; L528-I653 HydrophobicContact CG-CG2 4.22Å; L528-T654 PolarHBondContact N-O 2.86Å; L528-R655 CarbonylContact O-C 3.55Å; L528-R655 WeakPolarHBondContact O-CA 3.07Å; L528-K656 WeakPolarHBondContact O-CB 3.32Å; L528-K656 PolarHBondContact O-N 2.71Å
529	S	87.8	Confident	89.6	Confident	56 Å²	56	41.7 Å²	41.7	39%	0.392	24%	0.237	S	C	.	.			trans	-76.3	170.2	161.5	63.6	0	0	0	0	110.8	E531 A532	S529-E531 VanDerWaalsContact C-N 3.26Å; S529-E531 PolarHBondContact O-N 2.92Å; S529-A532 PolarHBondContact O-N 3.34Å; S529-A532 WeakPolarHBondContact OG-CB 3.34Å; S529-A532 PolarHBondContact OG-N 2.7Å
530	T	83.2	Confident	89.9	Confident	55 Å²	55	37 Å²	37	34%	0.337	22%	0.215	S	C	.	.	S	Bend	trans	-63.9	-28.4	178.4	38.7	0	0	0	0	114.4	F602	T530-F602 HydrophobicContact CG2-CB 4.34Å
531	E	85.1	Confident	89.7	Confident	146 Å²	146	38.2 Å²	38.2	68%	0.682	22%	0.221	S	C	*	.	S	Bend	trans	-100.8	-9.4	-175.6	-59.9	-179.1	162.9	0	0	112.7	S529 F533 Q600	S529-E531 VanDerWaalsContact C-N 3.26Å; S529-E531 PolarHBondContact O-N 2.92Å; E531-F533 PolarHBondContact O-N 2.83Å; E531-Q600 PolarHBondContact O-NE2 2.98Å
532	A	87.9	Confident	89.1	Confident	29 Å²	29	38 Å²	38	24%	0.24	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-67.3	133.1	177.4	0	0	0	0	0	111.1	L528 S529	L528-A532 HydrophobicContact CB-CB 4.31Å; S529-A532 PolarHBondContact O-N 3.34Å; S529-A532 WeakPolarHBondContact OG-CB 3.34Å; S529-A532 PolarHBondContact OG-N 2.7Å
533	F	90.3	Very high	88.8	Confident	46 Å²	46	35.5 Å²	35.5	20%	0.202	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-75.3	135.6	163	-79.2	-93.9	0	0	0	109.7	E531 Y535 S598 Q600	E531-F533 PolarHBondContact O-N 2.83Å; F533-Y535 HydrophobicContact CB-CE1 4.02Å; F533-Y535 HydrophobicContact CB-CE2 3.98Å; F533-S598 WeakPolarHBondContact CD1-OG 3.04Å; F533-Q600 HydrophobicContact CD1-CG 3.84Å; F533-Q600 HydrophobicContact CD2-CG 3.78Å; F533-Q600 HydrophobicContact CE1-CG 3.64Å; F533-Q600 HydrophobicContact CE2-CG 3.58Å; F533-Q600 HydrophobicContact CG-CG 3.92Å; F533-Q600 HydrophobicContact CZ-CG 3.51Å
534	L	93.3	Very high	88.4	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	120.1	162.7	-178	61.8	0	0	0	108	L511 Y521 V526 L528 V536 S598 V599 M601 I653	L511-L534 HydrophobicContact CB-CD1 4.08Å; L511-L534 HydrophobicContact CD1-CD1 4.27Å; L511-L534 HydrophobicContact CD2-CD1 4.12Å; L511-L534 HydrophobicContact CD2-CD2 4.03Å; L511-L534 HydrophobicContact CD2-CG 4.19Å; L511-L534 HydrophobicContact CG-CD1 4.36Å; Y521-L534 HydrophobicContact CD2-CD1 4.47Å; Y521-L534 HydrophobicContact CE2-CD1 3.97Å; V526-L534 HydrophobicContact CG1-CD1 4.48Å; L528-L534 HydrophobicContact CD1-CB 3.88Å; L528-L534 HydrophobicContact CD1-CD1 4.2Å; L528-L534 HydrophobicContact CD1-CD2 4.4Å; L528-L534 HydrophobicContact CD1-CG 4.39Å; L528-L534 HydrophobicContact CD2-CD1 4.41Å; L534-V536 HydrophobicContact CD2-CG2 4.25Å; L534-V536 HydrophobicContact CG-CG2 4.06Å; L534-S598 CarbonylContact O-C 3.52Å; L534-S598 VanDerWaalsContact O-CA 3.25Å; L534-S598 WeakPolarHBondContact O-CA 3.39Å; L534-V599 HydrophobicContact CB-CG1 4.33Å; L534-V599 PolarHBondContact N-O 3.48Å; L534-V599 PolarHBondContact O-N 2.91Å; L534-M601 HydrophobicContact CD2-CE 3.73Å; L534-I653 HydrophobicContact CD2-CD1 3.67Å
535	Y	95.1	Very high	88.2	Confident	37 Å²	37	36 Å²	36	15%	0.145	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.4	175.9	-56.6	-79.1	0	0	0	109	F512 P515 F533 S598	F512-Y535 PolarHBondContact N-O 2.98Å; P515-Y535 VanDerWaalsContact CA-CE1 3.49Å; P515-Y535 HydrophobicContact CB-CD1 4.32Å; P515-Y535 HydrophobicContact CB-CE1 3.64Å; P515-Y535 HydrophobicContact CB-CE2 4.43Å; F533-Y535 HydrophobicContact CB-CE1 4.02Å; F533-Y535 HydrophobicContact CB-CE2 3.98Å; Y535-S598 VanDerWaalsContact CD1-CB 3.47Å
536	V	95.6	Very high	87.9	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122.2	-175	-172.7	0	0	0	0	109.4	M509 L511 Y517 L534 F597 L613	M509-V536 HydrophobicContact CG-CG1 3.94Å; M509-V536 HydrophobicContact SD-CG1 4.05Å; L511-V536 HydrophobicContact CD2-CG1 4.28Å; L511-V536 HydrophobicContact CD2-CG2 3.87Å; Y517-V536 WeakPolarHBondContact CE1-O 3.46Å; L534-V536 HydrophobicContact CD2-CG2 4.25Å; L534-V536 HydrophobicContact CG-CG2 4.06Å; V536-F597 HydrophobicContact CB-CD1 4.09Å; V536-F597 HydrophobicContact CB-CD2 4.24Å; V536-F597 HydrophobicContact CB-CE1 3.7Å; V536-F597 HydrophobicContact CB-CE2 3.85Å; V536-F597 HydrophobicContact CB-CG 4.36Å; V536-F597 HydrophobicContact CB-CZ 3.57Å; V536-F597 HydrophobicContact CG1-CD1 4.39Å; V536-F597 HydrophobicContact CG1-CE1 3.63Å; V536-F597 HydrophobicContact CG1-CE2 4.42Å; V536-F597 HydrophobicContact CG1-CZ 3.65Å; V536-F597 HydrophobicContact CG2-CD2 4.3Å; V536-F597 HydrophobicContact CG2-CE1 4.36Å; V536-F597 HydrophobicContact CG2-CE2 3.67Å; V536-F597 HydrophobicContact CG2-CZ 3.72Å; V536-F597 PolarHBondContact N-O 3.41Å; V536-F597 PolarHBondContact O-N 2.94Å; V536-L613 HydrophobicContact CG1-CD2 3.94Å; V536-L613 HydrophobicContact CG2-CD2 3.75Å
537	G	94.8	Very high	87.6	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	134.7	176	0	0	0	0	0	111.5	M509 A510 G595	M509-G537 CarbonylContact C-O 2.99Å; M509-G537 WeakPolarHBondContact CA-O 3.33Å; A510-G537 PolarHBondContact N-O 2.94Å; A510-G537 PolarHBondContact O-N 3.24Å; G537-G595 CarbonylContact C-O 3.59Å; G537-G595 WeakPolarHBondContact CA-O 3.41Å
538	T	94.7	Very high	87.7	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	145.5	168	60.1	0	0	0	0	110.1	M480 R508 M509 L550 M552 Q594 G595	M480-T538 WeakPolarHBondContact CE-O 3.38Å; R508-T538 CarbonylContact O-C 3.5Å; R508-T538 VanDerWaalsContact O-CA 3.26Å; R508-T538 WeakPolarHBondContact O-CA 3.45Å; M509-T538 HydrophobicContact CB-CG2 4.04Å; M509-T538 HydrophobicContact CG-CG2 3.84Å; M509-T538 HydrophobicContact SD-CG2 4.21Å; T538-L550 WeakPolarHBondContact OG1-CD2 3.02Å; T538-M552 HydrophobicContact CG2-CG 4.35Å; T538-M552 HydrophobicContact CG2-SD 3.95Å; T538-Q594 WeakPolarHBondContact O-CA 3.15Å; T538-G595 PolarHBondContact N-O 2.96Å; T538-G595 PolarHBondContact O-N 2.87Å; T538-G595 WeakPolarHBondContact OG1-CA 3.3Å; T538-G595 PolarHBondContact OG1-O 3.15Å
539	M	92.9	Very high	87.8	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	137.3	-171.5	-64.6	165.2	-121.8	0	0	110.8	M480 K481 L484 V507 R508 A510 F512	M480-M539 VanDerWaalsContact C-SD 3.6Å; M480-M539 HydrophobicContact CB-CE 3.41Å; M480-M539 VanDerWaalsContact CB-CE 3.41Å; M480-M539 HydrophobicContact CB-CG 4.18Å; M480-M539 HydrophobicContact CB-SD 3.58Å; M480-M539 VanDerWaalsContact CB-SD 3.58Å; M480-M539 HydrophobicContact CE-CE 4.35Å; M480-M539 HydrophobicContact CE-CG 3.92Å; M480-M539 HydrophobicContact CG-CE 4.44Å; M480-M539 HydrophobicContact SD-CE 4.27Å; K481-M539 HydrophobicContact CB-SD 4.24Å; K481-M539 HydrophobicContact CG-CB 4.28Å; K481-M539 HydrophobicContact CG-CG 4.16Å; K481-M539 HydrophobicContact CG-SD 3.56Å; K481-M539 VanDerWaalsContact CG-SD 3.56Å; K481-M539 PolarHBondContact N-SD 3.27Å; L484-M539 HydrophobicContact CD1-CE 3.47Å; L484-M539 VanDerWaalsContact CD1-CE 3.47Å; L484-M539 HydrophobicContact CD1-SD 3.85Å; L484-M539 HydrophobicContact CG-CE 4.05Å; V507-M539 CarbonylContact C-O 3.57Å; V507-M539 VanDerWaalsContact CA-O 3.31Å; V507-M539 WeakPolarHBondContact CA-O 3.47Å; V507-M539 WeakPolarHBondContact CG1-O 3.46Å; R508-M539 PolarHBondContact N-O 3.36Å; R508-M539 PolarHBondContact O-N 2.67Å; A510-M539 HydrophobicContact CB-CE 4.42Å; F512-M539 HydrophobicContact CE2-CE 4.15Å; F512-M539 HydrophobicContact CZ-CE 3.82Å
540	L	91.2	Very high	88.1	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	128.1	174.4	-175.8	64.4	0	0	0	110.9	K481 F505 V507 L545 F548 L550 S593 L619	K481-L540 WeakPolarHBondContact CE-O 3.08Å; K481-L540 PolarHBondContact NZ-O 3.07Å; F505-L540 HydrophobicContact CB-CD1 3.84Å; F505-L540 HydrophobicContact CD1-CD1 3.81Å; F505-L540 HydrophobicContact CD1-CD2 4.08Å; F505-L540 HydrophobicContact CD1-CG 4.03Å; F505-L540 HydrophobicContact CE1-CD2 4.41Å; F505-L540 HydrophobicContact CG-CD1 4.22Å; V507-L540 HydrophobicContact CG2-CD1 3.92Å; L540-L545 HydrophobicContact CB-CD2 4.19Å; L540-L545 HydrophobicContact CD2-CD2 3.86Å; L540-L545 HydrophobicContact CG-CD2 3.69Å; L540-L545 WeakPolarHBondContact O-CD2 3.49Å; L540-F548 HydrophobicContact CD2-CB 4.08Å; L540-L550 HydrophobicContact CB-CB 4.45Å; L540-L550 HydrophobicContact CB-CD2 4.43Å; L540-S593 WeakPolarHBondContact CB-O 3.24Å; L540-S593 PolarHBondContact N-O 2.77Å; L540-L619 HydrophobicContact CD1-CD1 4.25Å; L540-L619 HydrophobicContact CD1-CD2 3.43Å; L540-L619 VanDerWaalsContact CD1-CD2 3.43Å; L540-L619 HydrophobicContact CD2-CD2 4.07Å; L540-L619 HydrophobicContact CG-CD2 4.37Å
541	D	86.8	Confident	88.7	Confident	32 Å²	32	33.8 Å²	33.8	17%	0.171	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	150.7	177.3	-66.8	-68.8	0	0	0	111.9	K481 F505 T506 R508	K481-D541 VanDerWaalsContact CD-OD1 3.28Å; K481-D541 WeakPolarHBondContact CD-OD1 3.45Å; K481-D541 WeakPolarHBondContact CE-OD1 3.06Å; K481-D541 IonicContact NZ-OD1 3.51Å; K481-D541 PolarHBondContact NZ-OD1 2.04Å; F505-D541 CarbonylContact C-O 3.28Å; F505-D541 WeakPolarHBondContact CA-O 3.47Å; T506-D541 PolarHBondContact N-O 2.87Å; T506-D541 PolarHBondContact O-N 3.23Å; R508-D541 IonicContact CZ-OD2 3Å; R508-D541 IonicContact NE-OD2 3.13Å; R508-D541 PolarHBondContact NE-OD2 2.95Å; R508-D541 VanDerWaalsContact NH2-CG 3.32Å; R508-D541 IonicContact NH2-OD1 2.69Å; R508-D541 PolarHBondContact NH2-OD1 2.91Å; R508-D541 IonicContact NH2-OD2 2.77Å; R508-D541 PolarHBondContact NH2-OD2 2.91Å
542	G	79.8	Confident	89.2	Confident	39 Å²	39	26.8 Å²	26.8	40%	0.402	16%	0.163	S	C	.	.	S	Bend	trans	76.5	167.4	-178.3	0	0	0	0	0	113.5	F505 L545	F505-G542 WeakPolarHBondContact CD1-O 3.43Å; F505-G542 VanDerWaalsContact CE1-O 3.29Å; F505-G542 WeakPolarHBondContact CE1-O 3.16Å; G542-L545 WeakPolarHBondContact O-CD2 3.02Å
543	G	79.3	Confident	89.5	Confident	45 Å²	45	26.2 Å²	26.2	46%	0.464	16%	0.157	S	C	.	.	S	Bend	trans	62.7	-164.9	-176.4	0	0	0	0	0	114.3	L545	G543-L545 PolarHBondContact O-N 3.39Å
544	D	78.9	Confident	89.6	Confident	73 Å²	73	24.2 Å²	24.2	39%	0.39	15%	0.148	S	C	.	.			trans	-84.2	100.6	175.2	178.6	5.9	0	0	0	110.7	S546	D544-S546 VanDerWaalsContact C-N 3.25Å; D544-S546 PolarHBondContact O-N 3.48Å; D544-S546 WeakPolarHBondContact OD1-CB 3.03Å; D544-S546 PolarHBondContact OD1-N 3.26Å; D544-S546 PolarHBondContact OD1-OG 3.44Å; D544-S546 PolarHBondContact OD2-OG 3.23Å
545	L	79.3	Confident	89.7	Confident	65 Å²	65	24.2 Å²	24.2	34%	0.34	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-8.6	179	-60.5	179.6	0	0	0	113.9	L540 G542 G543	L540-L545 HydrophobicContact CB-CD2 4.19Å; L540-L545 HydrophobicContact CD2-CD2 3.86Å; L540-L545 HydrophobicContact CG-CD2 3.69Å; L540-L545 WeakPolarHBondContact O-CD2 3.49Å; G542-L545 WeakPolarHBondContact O-CD2 3.02Å; G543-L545 PolarHBondContact O-N 3.39Å
546	S	80.5	Confident	89.7	Confident	98 Å²	98	22.5 Å²	22.5	69%	0.685	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-30.1	176.7	74.2	0	0	0	0	112.2	D544	D544-S546 VanDerWaalsContact C-N 3.25Å; D544-S546 PolarHBondContact O-N 3.48Å; D544-S546 WeakPolarHBondContact OD1-CB 3.03Å; D544-S546 PolarHBondContact OD1-N 3.26Å; D544-S546 PolarHBondContact OD1-OG 3.44Å; D544-S546 PolarHBondContact OD2-OG 3.23Å
547	R	86	Confident	89.6	Confident	86 Å²	86	22.5 Å²	22.5	33%	0.325	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-29	-178.8	-179	173.4	174.6	-173.9	-4.8	114.5	D621 T622	R547-D621 VanDerWaalsContact CG-OD1 3.27Å; R547-D621 WeakPolarHBondContact CG-OD1 3.32Å; R547-D621 IonicContact CZ-OD1 2.68Å; R547-D621 IonicContact CZ-OD2 2.74Å; R547-D621 IonicContact NE-OD1 2.66Å; R547-D621 PolarHBondContact NE-OD1 2.85Å; R547-D621 IonicContact NE-OD2 2.78Å; R547-D621 PolarHBondContact NE-OD2 3.47Å; R547-D621 VanDerWaalsContact NE-OD2 3.15Å; R547-D621 IonicContact NH2-OD2 2.69Å; R547-D621 PolarHBondContact NH2-OD2 2.95Å; R547-T622 PolarHBondContact O-N 3.2Å; R547-T622 PolarHBondContact O-OG1 2.97Å
548	F	90.4	Very high	89.5	Confident	10 Å²	10	22.5 Å²	22.5	4%	0.044	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	119.6	-172.6	-67.1	-77.3	0	0	0	112.9	V499 T502 F505 L540 L619 C620 D621	V499-F548 HydrophobicContact CG1-CZ 4.31Å; T502-F548 HydrophobicContact CG2-CE2 4.28Å; T502-F548 HydrophobicContact CG2-CZ 4.44Å; F505-F548 AromaticContact CE1-CD2 3.92Å; F505-F548 HydrophobicContact CE1-CD2 3.92Å; F505-F548 HydrophobicContact CE2-CD2 4.32Å; F505-F548 HydrophobicContact CE2-CE2 4.29Å; F505-F548 AromaticContact CZ-CD2 3.48Å; F505-F548 HydrophobicContact CZ-CD2 3.48Å; F505-F548 VanDerWaalsContact CZ-CD2 3.48Å; F505-F548 AromaticContact CZ-CE2 3.76Å; F505-F548 HydrophobicContact CZ-CE2 3.76Å; F505-F548 HydrophobicContact CZ-CG 4.35Å; L540-F548 HydrophobicContact CD2-CB 4.08Å; F548-L619 HydrophobicContact CD1-CB 4.12Å; F548-C620 CarbonylContact C-O 3.49Å; F548-C620 WeakPolarHBondContact CA-O 3.45Å; F548-D621 HydrophobicContact CD1-CB 4.31Å; F548-D621 HydrophobicContact CE1-CB 3.93Å
549	A	91.4	Very high	89.4	Confident	3 Å²	3	23.8 Å²	23.8	3%	0.025	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	141.9	168.4	0	0	0	0	0	110.7	S592 C620 T622 C627	A549-S592 CarbonylContact C-O 3.59Å; A549-S592 WeakPolarHBondContact CA-O 3.41Å; A549-C620 PolarHBondContact N-O 3.39Å; A549-C620 PolarHBondContact O-N 3.17Å; A549-T622 HydrophobicContact CB-CG2 3.79Å; A549-C627 HydrophobicContact CB-CB 3.86Å
550	L	94.1	Very high	89.3	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	116.7	178.4	-177.4	59.5	0	0	0	110.2	V507 T538 L540 G590 S592 V617 L619	V507-L550 HydrophobicContact CG1-CD1 3.78Å; V507-L550 HydrophobicContact CG1-CD2 4.12Å; V507-L550 HydrophobicContact CG2-CD1 4.36Å; T538-L550 WeakPolarHBondContact OG1-CD2 3.02Å; L540-L550 HydrophobicContact CB-CB 4.45Å; L540-L550 HydrophobicContact CB-CD2 4.43Å; L550-G590 WeakPolarHBondContact O-CA 3.19Å; L550-G590 PolarHBondContact O-N 2.82Å; L550-S592 PolarHBondContact N-O 3.02Å; L550-V617 HydrophobicContact CD1-CB 4.19Å; L550-V617 HydrophobicContact CD1-CG1 4.33Å; L550-L619 HydrophobicContact CD1-CD2 4.14Å
551	L	95.3	Very high	89.3	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	116.7	-178.6	-177.2	65.8	0	0	0	110.9	T553 R575 V617 Y618 C620 P629	L551-T553 HydrophobicContact CD2-CG2 4.46Å; L551-T553 HydrophobicContact CG-CG2 4.45Å; L551-T553 PolarHBondContact O-N 2.89Å; L551-R575 HydrophobicContact CD1-CB 4.41Å; L551-R575 HydrophobicContact CD1-CG 4.44Å; L551-R575 HydrophobicContact CD2-CG 4.06Å; L551-R575 HydrophobicContact CG-CG 4.4Å; L551-V617 WeakPolarHBondContact O-CA 3.04Å; L551-Y618 HydrophobicContact CD2-CD1 4.11Å; L551-Y618 PolarHBondContact N-O 2.83Å; L551-Y618 PolarHBondContact O-N 2.88Å; L551-C620 HydrophobicContact CB-CB 4.33Å; L551-P629 HydrophobicContact CD1-CG 4.4Å
552	M	95.5	Very high	89.6	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	111.8	168.6	-60.3	172.4	-69.9	0	0	108.3	T538 I572 E588 N589 F597 V617	T538-M552 HydrophobicContact CG2-CG 4.35Å; T538-M552 HydrophobicContact CG2-SD 3.95Å; M552-I572 HydrophobicContact CB-CD1 4.2Å; M552-I572 HydrophobicContact CE-CD1 4.15Å; M552-I572 HydrophobicContact SD-CD1 4.42Å; M552-E588 WeakPolarHBondContact CE-O 3.32Å; M552-N589 WeakPolarHBondContact CB-OD1 3.04Å; M552-N589 HydrophobicContact CE-CB 3.93Å; M552-N589 WeakPolarHBondContact CE-OD1 3.06Å; M552-N589 PolarHBondContact N-OD1 3.45Å; M552-N589 PolarHBondContact O-ND2 3Å; M552-F597 HydrophobicContact CE-CD1 4.11Å; M552-F597 HydrophobicContact SD-CD1 3.73Å; M552-F597 HydrophobicContact SD-CE1 3.89Å; M552-V617 HydrophobicContact CG-CG1 4.46Å
553	T	93.7	Very high	90.1	Very high	17 Å²	17	30.8 Å²	30.8	10%	0.104	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-49.5	-177.3	48.2	0	0	0	0	111.5	L551 D574 R575 E616	L551-T553 HydrophobicContact CD2-CG2 4.46Å; L551-T553 HydrophobicContact CG-CG2 4.45Å; L551-T553 PolarHBondContact O-N 2.89Å; T553-D574 PolarHBondContact O-N 2.88Å; T553-R575 HydrophobicContact CG2-CG 4.3Å; T553-R575 PolarHBondContact O-N 3.17Å; T553-E616 WeakPolarHBondContact CB-OE2 3.22Å; T553-E616 PolarHBondContact N-O 3.08Å; T553-E616 WeakPolarHBondContact OG1-CB 3.5Å; T553-E616 WeakPolarHBondContact OG1-CG 3.36Å; T553-E616 PolarHBondContact OG1-O 3.15Å; T553-E616 PolarHBondContact OG1-OE2 3.22Å
554	N	94	Very high	90.8	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.021	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	110	-178.9	-71.9	-61	0	0	0	110.3	F570 I572 Q573 D574 C615 E616 S640 I642	N554-F570 HydrophobicContact CB-CE1 4.42Å; N554-I572 CarbonylContact C-O 3.59Å; N554-I572 WeakPolarHBondContact CA-O 3.29Å; N554-Q573 WeakPolarHBondContact OD1-CA 3.32Å; N554-D574 PolarHBondContact OD1-N 2.8Å; N554-C615 WeakPolarHBondContact O-CA 3.42Å; N554-E616 HydrophobicContact CB-CB 4.12Å; N554-E616 PolarHBondContact ND2-OE2 2.76Å; N554-E616 PolarHBondContact O-N 3.25Å; N554-S640 PolarHBondContact ND2-OG 2.69Å; N554-I642 HydrophobicContact CB-CG1 4.43Å
555	C	95.4	Very high	91.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.6	171.4	-74	0	0	0	0	109.9	I571 I572 F597 H614 C615	C555-I571 HydrophobicContact CB-CB 4.45Å; C555-I571 WeakPolarHBondContact O-CA 3.42Å; C555-I571 PolarHBondContact O-N 2.77Å; C555-I572 HydrophobicContact CB-CB 3.98Å; C555-I572 HydrophobicContact CB-CD1 4.35Å; C555-I572 HydrophobicContact CB-CG1 4.2Å; C555-I572 PolarHBondContact N-O 3.47Å; C555-I572 PolarHBondContact O-N 2.87Å; C555-I572 VanDerWaalsContact O-O 3.05Å; C555-F597 HydrophobicContact CB-CE1 4.43Å; C555-F597 HydrophobicContact CB-CZ 4.26Å; C555-H614 CarbonylContact C-O 3.56Å; C555-H614 VanDerWaalsContact CA-O 3.26Å; C555-H614 WeakPolarHBondContact CA-O 3.44Å; C555-C615 HydrophobicContact CB-CB 4.22Å; C555-C615 WeakPolarHBondContact CB-SG 3.04Å; C555-C615 WeakPolarHBondContact SG-CB 3.23Å; C555-C615 CovalentContact SG-SG 2.05Å; C555-C615 PolarHBondContact SG-SG 2.85Å
556	Y	93.8	Very high	91.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	155.4	-175	55.7	-82.3	0	0	0	111.9	T558 A563 K568 Y569 F570 H614 I642	Y556-T558 HydrophobicContact CD2-CG2 3.98Å; Y556-T558 HydrophobicContact CE2-CG2 4.09Å; Y556-A563 WeakPolarHBondContact CE2-O 3.33Å; Y556-A563 PolarHBondContact OH-O 3.41Å; Y556-K568 HydrophobicContact CD2-CB 3.98Å; Y556-K568 HydrophobicContact CD2-CD 3.72Å; Y556-K568 HydrophobicContact CD2-CG 3.68Å; Y556-K568 HydrophobicContact CE2-CD 3.69Å; Y556-K568 HydrophobicContact CE2-CG 3.97Å; Y556-K568 HydrophobicContact CG-CB 4.36Å; Y556-K568 HydrophobicContact CG-CD 4.25Å; Y556-K568 HydrophobicContact CG-CG 4.43Å; Y556-Y569 CarbonylContact C-O 3.6Å; Y556-Y569 WeakPolarHBondContact CA-O 3.38Å; Y556-Y569 WeakPolarHBondContact CB-O 3.13Å; Y556-F570 HydrophobicContact CD1-CD1 4.36Å; Y556-F570 HydrophobicContact CD1-CE1 4.06Å; Y556-F570 HydrophobicContact CG-CD1 4.45Å; Y556-F570 HydrophobicContact CG-CE1 4.32Å; Y556-H614 HydrophobicContact CD1-CB 4.39Å; Y556-H614 HydrophobicContact CD2-CB 3.96Å; Y556-H614 HydrophobicContact CE1-CB 3.99Å; Y556-H614 HydrophobicContact CE2-CB 3.53Å; Y556-H614 AromaticContact CE2-CG 3.97Å; Y556-H614 HydrophobicContact CG-CB 4.37Å; Y556-H614 PolarHBondContact N-O 2.03Å; Y556-H614 PolarHBondContact O-N 2.82Å; Y556-I642 HydrophobicContact CD1-CD1 4.31Å; Y556-I642 HydrophobicContact CE1-CD1 3.77Å; Y556-I642 HydrophobicContact CE1-CG2 4.3Å
557	A	93.6	Very high	92.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	149	172.9	0	0	0	0	0	111.6	Y569 M601 Y612	A557-Y569 PolarHBondContact N-O 2.72Å; A557-Y569 PolarHBondContact O-N 2.74Å; A557-M601 HydrophobicContact CB-SD 4.08Å; A557-Y612 CarbonylContact C-O 3.59Å; A557-Y612 WeakPolarHBondContact CA-O 3.44Å
558	T	93.6	Very high	92.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	153.7	178.9	52.8	0	0	0	0	110.4	Y556 S560 D565 K568 V611 Y612 H614	Y556-T558 HydrophobicContact CD2-CG2 3.98Å; Y556-T558 HydrophobicContact CE2-CG2 4.09Å; T558-S560 WeakPolarHBondContact CB-O 3.05Å; T558-S560 PolarHBondContact OG1-O 3.15Å; T558-D565 HydrophobicContact CG2-CB 3.83Å; T558-K568 HydrophobicContact CG2-CG 4.31Å; T558-V611 CarbonylContact O-C 3.49Å; T558-V611 WeakPolarHBondContact O-CA 3.08Å; T558-Y612 PolarHBondContact N-O 2.83Å; T558-Y612 PolarHBondContact O-N 3.46Å; T558-H614 PolarHBondContact OG1-CD2 2.03Å; T558-H614 PolarHBondContact OG1-NE2 3.32Å
559	P	91.3	Very high	92.5	Very high	28 Å²	28	32.8 Å²	32.8	18%	0.182	19%	0.192	C	C	.	.	S	Bend	trans	-76.4	-26.2	175.6	30.9	-34.2	0	0	0	112.7	L567 Y608	P559-L567 WeakPolarHBondContact CD-O 3.49Å; P559-L567 HydrophobicContact CG-CB 4.26Å; P559-L567 HydrophobicContact CG-CD1 4.35Å; P559-Y608 HydrophobicContact CB-CD1 3.84Å; P559-Y608 HydrophobicContact CB-CD2 4.19Å; P559-Y608 HydrophobicContact CB-CE1 3.78Å; P559-Y608 HydrophobicContact CB-CE2 4.14Å; P559-Y608 HydrophobicContact CB-CG 4.05Å; P559-Y608 HydrophobicContact CG-CE1 4.48Å
560	S	91.2	Very high	92.5	Very high	44 Å²	44	35.1 Å²	35.1	31%	0.308	20%	0.201	S	C	.	.	S	Bend	trans	-104.2	163.1	173.7	76.8	0	0	0	0	112.1	T558 N562 D565 Y612	T558-S560 WeakPolarHBondContact CB-O 3.05Å; T558-S560 PolarHBondContact OG1-O 3.15Å; S560-N562 PolarHBondContact O-N 3.19Å; S560-N562 VanDerWaalsContact O-N 3.13Å; S560-N562 PolarHBondContact OG-N 2.82Å; S560-D565 WeakPolarHBondContact CB-OD2 3.3Å; S560-D565 PolarHBondContact OG-OD2 3.31Å; S560-Y612 VanDerWaalsContact C-CD2 3.41Å; S560-Y612 WeakPolarHBondContact O-CD2 3.07Å
561	S	91.2	Very high	92.4	Very high	81 Å²	81	35.1 Å²	35.1	57%	0.566	20%	0.201	S	C	*	.	S	Bend	trans	-70.6	0	176.7	62.3	0	0	0	0	114.4
562	N	92.9	Very high	92.2	Very high	81 Å²	81	35.1 Å²	35.1	43%	0.433	20%	0.201	S	C	.	.			trans	-91.8	113.4	-177.7	-180	7.1	0	0	0	110.4	S560 T564 D565	S560-N562 PolarHBondContact O-N 3.19Å; S560-N562 VanDerWaalsContact O-N 3.13Å; S560-N562 PolarHBondContact OG-N 2.82Å; N562-T564 PolarHBondContact ND2-OG1 2.87Å; N562-T564 PolarHBondContact O-N 2.87Å; N562-T564 PolarHBondContact OD1-N 2.04Å; N562-T564 PolarHBondContact OD1-OG1 2.86Å; N562-D565 VanDerWaalsContact O-CB 3.24Å; N562-D565 WeakPolarHBondContact O-CB 3.45Å; N562-D565 PolarHBondContact O-N 2.83Å
563	A	91.8	Very high	92	Very high	11 Å²	11	37.2 Å²	37.2	9%	0.091	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-26.9	175.7	0	0	0	0	0	113.4	Y556 D565 K568 H614 V647	Y556-A563 WeakPolarHBondContact CE2-O 3.33Å; Y556-A563 PolarHBondContact OH-O 3.41Å; A563-D565 VanDerWaalsContact C-N 3.34Å; A563-D565 PolarHBondContact O-N 3.08Å; A563-K568 WeakPolarHBondContact O-CE 3.44Å; A563-K568 PolarHBondContact O-NZ 3.16Å; A563-H614 WeakPolarHBondContact CB-ND1 3.06Å; A563-V647 HydrophobicContact CB-CG1 4.27Å
564	T	92.9	Very high	91.8	Very high	79 Å²	79	39.1 Å²	39.1	49%	0.485	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-2.1	179.1	65.2	0	0	0	0	114.9	N562 K568 Q644	N562-T564 PolarHBondContact ND2-OG1 2.87Å; N562-T564 PolarHBondContact O-N 2.87Å; N562-T564 PolarHBondContact OD1-N 2.04Å; N562-T564 PolarHBondContact OD1-OG1 2.86Å; T564-K568 PolarHBondContact O-NZ 3.27Å; T564-Q644 HydrophobicContact CG2-CG 4.09Å
565	D	92.3	Very high	91.7	Very high	17 Å²	17	43.4 Å²	43.4	9%	0.091	24%	0.237	C	C	.	.			trans	-46	131.4	-179.8	-168.6	-45.5	0	0	0	112.3	T558 S560 N562 A563 L567 K568	T558-D565 HydrophobicContact CG2-CB 3.83Å; S560-D565 WeakPolarHBondContact CB-OD2 3.3Å; S560-D565 PolarHBondContact OG-OD2 3.31Å; N562-D565 VanDerWaalsContact O-CB 3.24Å; N562-D565 WeakPolarHBondContact O-CB 3.45Å; N562-D565 PolarHBondContact O-N 2.83Å; A563-D565 VanDerWaalsContact C-N 3.34Å; A563-D565 PolarHBondContact O-N 3.08Å; D565-L567 PolarHBondContact O-N 2.96Å; D565-L567 PolarHBondContact OD1-N 3.01Å; D565-K568 WeakPolarHBondContact O-CG 3.38Å; D565-K568 PolarHBondContact O-NZ 2.04Å
566	P	88.8	Confident	91.4	Very high	123 Å²	123	44.7 Å²	44.7	80%	0.799	25%	0.245	S	C	*	.	S	Bend	trans	-59.9	-25.1	179.7	24.8	-35.6	0	0	0	113.7	K568	P566-K568 PolarHBondContact O-N 2.93Å
567	L	89.6	Confident	91.2	Very high	82 Å²	82	46.1 Å²	46.1	43%	0.429	26%	0.255	S	S	.	.			trans	-91.2	91.8	178.1	-65.1	173.2	0	0	0	110.8	P559 D565	P559-L567 WeakPolarHBondContact CD-O 3.49Å; P559-L567 HydrophobicContact CG-CB 4.26Å; P559-L567 HydrophobicContact CG-CD1 4.35Å; D565-L567 PolarHBondContact O-N 2.96Å; D565-L567 PolarHBondContact OD1-N 3.01Å
568	K	90.5	Very high	90.6	Very high	56 Å²	56	49.8 Å²	49.8	24%	0.243	27%	0.271	C	S	.	.			trans	-108.4	121	176.8	-62.8	-175.9	173.5	62.1	0	111.9	Y556 T558 A563 T564 D565 P566 F570 I642	Y556-K568 HydrophobicContact CD2-CB 3.98Å; Y556-K568 HydrophobicContact CD2-CD 3.72Å; Y556-K568 HydrophobicContact CD2-CG 3.68Å; Y556-K568 HydrophobicContact CE2-CD 3.69Å; Y556-K568 HydrophobicContact CE2-CG 3.97Å; Y556-K568 HydrophobicContact CG-CB 4.36Å; Y556-K568 HydrophobicContact CG-CD 4.25Å; Y556-K568 HydrophobicContact CG-CG 4.43Å; T558-K568 HydrophobicContact CG2-CG 4.31Å; A563-K568 WeakPolarHBondContact O-CE 3.44Å; A563-K568 PolarHBondContact O-NZ 3.16Å; T564-K568 PolarHBondContact O-NZ 3.27Å; D565-K568 WeakPolarHBondContact O-CG 3.38Å; D565-K568 PolarHBondContact O-NZ 2.04Å; P566-K568 PolarHBondContact O-N 2.93Å; K568-F570 HydrophobicContact CB-CD2 4.09Å; K568-F570 HydrophobicContact CB-CE2 3.61Å; K568-F570 HydrophobicContact CB-CZ 4.1Å; K568-F570 HydrophobicContact CD-CE2 4.22Å; K568-F570 HydrophobicContact CD-CZ 3.9Å; K568-I642 HydrophobicContact CD-CD1 4.13Å
569	Y	90.3	Very high	89.4	Confident	63 Å²	63	53.9 Å²	53.9	25%	0.247	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	98.1	172	-65.7	-89.3	0	0	0	109.5	Y556 A557 I571 A605 Y608	Y556-Y569 CarbonylContact C-O 3.6Å; Y556-Y569 WeakPolarHBondContact CA-O 3.38Å; Y556-Y569 WeakPolarHBondContact CB-O 3.13Å; A557-Y569 PolarHBondContact N-O 2.72Å; A557-Y569 PolarHBondContact O-N 2.74Å; Y569-I571 PolarHBondContact O-N 3.42Å; Y569-A605 HydrophobicContact CG-CB 4.45Å; Y569-Y608 HydrophobicContact CE2-CD2 4.47Å; Y569-Y608 HydrophobicContact CE2-CE2 4.05Å
570	F	90.4	Very high	88.5	Confident	52 Å²	52	63.3 Å²	63.3	23%	0.228	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	115.7	-172.8	-74.5	-90.8	0	0	0	113.7	N554 Y556 K568 Q573 F604 I642	N554-F570 HydrophobicContact CB-CE1 4.42Å; Y556-F570 HydrophobicContact CD1-CD1 4.36Å; Y556-F570 HydrophobicContact CD1-CE1 4.06Å; Y556-F570 HydrophobicContact CG-CD1 4.45Å; Y556-F570 HydrophobicContact CG-CE1 4.32Å; K568-F570 HydrophobicContact CB-CD2 4.09Å; K568-F570 HydrophobicContact CB-CE2 3.61Å; K568-F570 HydrophobicContact CB-CZ 4.1Å; K568-F570 HydrophobicContact CD-CE2 4.22Å; K568-F570 HydrophobicContact CD-CZ 3.9Å; F570-Q573 HydrophobicContact CB-CB 4.1Å; F570-Q573 HydrophobicContact CD1-CB 4.06Å; F570-Q573 HydrophobicContact CD1-CG 4.02Å; F570-Q573 HydrophobicContact CE1-CG 4.44Å; F570-Q573 HydrophobicContact CG-CB 4.28Å; F570-Q573 HydrophobicContact CG-CG 4.32Å; F570-F604 WeakPolarHBondContact O-CZ 3.19Å; F570-I642 HydrophobicContact CE1-CD1 4.06Å; F570-I642 HydrophobicContact CZ-CD1 4.06Å
571	I	92.1	Very high	88	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-50	174	-56.3	163.5	0	0	0	109.6	C555 Y569 P577 I584 F597 V599 M601 F604 L613	C555-I571 HydrophobicContact CB-CB 4.45Å; C555-I571 WeakPolarHBondContact O-CA 3.42Å; C555-I571 PolarHBondContact O-N 2.77Å; Y569-I571 PolarHBondContact O-N 3.42Å; I571-P577 WeakPolarHBondContact O-CA 3.4Å; I571-I584 HydrophobicContact CG2-CD1 4.11Å; I571-I584 HydrophobicContact CG2-CG1 4.13Å; I571-I584 HydrophobicContact CG2-CG2 3.74Å; I571-F597 HydrophobicContact CD1-CE2 4.2Å; I571-F597 HydrophobicContact CG2-CD2 3.98Å; I571-F597 HydrophobicContact CG2-CE2 3.88Å; I571-V599 HydrophobicContact CD1-CG1 4.26Å; I571-V599 HydrophobicContact CG2-CB 4.48Å; I571-M601 HydrophobicContact CD1-CE 4.34Å; I571-F604 HydrophobicContact CG1-CD1 4.3Å; I571-F604 HydrophobicContact CG1-CE1 3.69Å; I571-F604 HydrophobicContact CG1-CZ 4.19Å; I571-L613 HydrophobicContact CD1-CD1 3.59Å
572	I	92.3	Very high	87.7	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	129.7	170.4	-57.4	177.2	0	0	0	106.6	M552 N554 C555 V586 F597	M552-I572 HydrophobicContact CB-CD1 4.2Å; M552-I572 HydrophobicContact CE-CD1 4.15Å; M552-I572 HydrophobicContact SD-CD1 4.42Å; N554-I572 CarbonylContact C-O 3.59Å; N554-I572 WeakPolarHBondContact CA-O 3.29Å; C555-I572 HydrophobicContact CB-CB 3.98Å; C555-I572 HydrophobicContact CB-CD1 4.35Å; C555-I572 HydrophobicContact CB-CG1 4.2Å; C555-I572 PolarHBondContact N-O 3.47Å; C555-I572 PolarHBondContact O-N 2.87Å; C555-I572 VanDerWaalsContact O-O 3.05Å; I572-V586 HydrophobicContact CD1-CG2 4.09Å; I572-V586 HydrophobicContact CG1-CG2 4.26Å; I572-F597 HydrophobicContact CD1-CD1 4.16Å; I572-F597 HydrophobicContact CD1-CG 4.45Å
573	Q	90.6	Very high	87.4	Confident	43 Å²	43	60.5 Å²	60.5	20%	0.201	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131.9	176.5	-170.7	174.9	3.6	0	0	108.9	N554 F570 R575 C576	N554-Q573 WeakPolarHBondContact OD1-CA 3.32Å; F570-Q573 HydrophobicContact CB-CB 4.1Å; F570-Q573 HydrophobicContact CD1-CB 4.06Å; F570-Q573 HydrophobicContact CD1-CG 4.02Å; F570-Q573 HydrophobicContact CE1-CG 4.44Å; F570-Q573 HydrophobicContact CG-CB 4.28Å; F570-Q573 HydrophobicContact CG-CG 4.32Å; Q573-R575 VanDerWaalsContact C-N 3.29Å; Q573-R575 PolarHBondContact O-N 2.76Å; Q573-C576 PolarHBondContact N-O 2.77Å; Q573-C576 PolarHBondContact O-N 2.98Å
574	D	89.5	Confident	87.4	Confident	58 Å²	58	60.7 Å²	60.7	31%	0.31	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	48.6	-179.1	-55.4	-49.3	0	0	0	112.4	T553 N554 C576 S640	T553-D574 PolarHBondContact O-N 2.88Å; N554-D574 PolarHBondContact OD1-N 2.8Å; D574-C576 PolarHBondContact O-N 2.63Å; D574-S640 WeakPolarHBondContact OD1-CB 3.37Å; D574-S640 PolarHBondContact OD1-OG 3.38Å
575	R	91.4	Very high	87.3	Confident	94 Å²	94	61.1 Å²	61.1	36%	0.355	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	-5.8	-178.3	-47.6	164.2	-176.6	-143.3	-1	115.4	L551 T553 Q573 N589 P629	L551-R575 HydrophobicContact CD1-CB 4.41Å; L551-R575 HydrophobicContact CD1-CG 4.44Å; L551-R575 HydrophobicContact CD2-CG 4.06Å; L551-R575 HydrophobicContact CG-CG 4.4Å; T553-R575 HydrophobicContact CG2-CG 4.3Å; T553-R575 PolarHBondContact O-N 3.17Å; Q573-R575 VanDerWaalsContact C-N 3.29Å; Q573-R575 PolarHBondContact O-N 2.76Å; R575-N589 PolarHBondContact O-ND2 3.07Å; R575-P629 HydrophobicContact CB-CB 3.83Å; R575-P629 HydrophobicContact CB-CG 4.23Å; R575-P629 WeakPolarHBondContact O-CG 3.48Å
576	C	90.1	Very high	87.3	Confident	26 Å²	26	62.6 Å²	62.6	18%	0.176	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	139.8	-171.5	-76.2	0	0	0	0	114.3	Q573 D574 C631	Q573-C576 PolarHBondContact N-O 2.77Å; Q573-C576 PolarHBondContact O-N 2.98Å; D574-C576 PolarHBondContact O-N 2.63Å; C576-C631 VanDerWaalsContact CA-SG 3.52Å; C576-C631 HydrophobicContact CB-CB 3.78Å; C576-C631 WeakPolarHBondContact CB-SG 3.41Å; C576-C631 WeakPolarHBondContact SG-CA 3.35Å; C576-C631 WeakPolarHBondContact SG-CB 3.19Å; C576-C631 CovalentContact SG-SG 2.04Å; C576-C631 PolarHBondContact SG-SG 2.91Å
577	P	89.6	Confident	87.4	Confident	31 Å²	31	58.4 Å²	58.4	20%	0.201	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	166.3	171.7	31.7	-35.3	0	0	0	112.1	I571 T579 I584 V586	I571-P577 WeakPolarHBondContact O-CA 3.4Å; P577-T579 PolarHBondContact O-N 3.28Å; P577-T579 VanDerWaalsContact O-N 3.11Å; P577-I584 HydrophobicContact CB-CG2 4Å; P577-V586 HydrophobicContact CB-CG2 3.71Å; P577-V586 HydrophobicContact CG-CB 4.33Å; P577-V586 HydrophobicContact CG-CG2 3.74Å
578	H	79.4	Confident	87.5	Confident	77 Å²	77	55.9 Å²	55.9	36%	0.356	28%	0.275	S	S	.	.			trans	-75.8	95.8	171.7	-171.1	-88.3	0	0	0	111.1	R580 D581 I584	H578-R580 PolarHBondContact O-N 3.29Å; H578-D581 HydrophobicContact CB-CB 4.22Å; H578-D581 PolarHBondContact ND1-N 2.04Å; H578-D581 PolarHBondContact O-N 2.75Å; H578-I584 HydrophobicContact CB-CD1 4.45Å
579	T	69.4	Low	87.6	Confident	86 Å²	86	53.6 Å²	53.6	53%	0.528	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-11.3	-168.6	58	0	0	0	0	117.1	P577 C631	P577-T579 PolarHBondContact O-N 3.28Å; P577-T579 VanDerWaalsContact O-N 3.11Å; T579-C631 HydrophobicContact CG2-CB 4.49Å
580	R	72.9	Confident	87.7	Confident	225 Å²	225	50.7 Å²	50.7	85%	0.849	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-3	174.1	-65.1	-173.3	179.2	-168.1	-0.4	114	H578	H578-R580 PolarHBondContact O-N 3.29Å
581	D	80.8	Confident	87.7	Confident	44 Å²	44	52.8 Å²	52.8	24%	0.235	27%	0.265	C	S	.	.			trans	-95.9	105.1	-178.2	-165.2	-23	0	0	0	110.8	H578 T583 I584 F604	H578-D581 HydrophobicContact CB-CB 4.22Å; H578-D581 PolarHBondContact ND1-N 2.04Å; H578-D581 PolarHBondContact O-N 2.75Å; D581-T583 PolarHBondContact O-N 3.14Å; D581-T583 VanDerWaalsContact O-N 3.12Å; D581-T583 VanDerWaalsContact OD1-CB 3.26Å; D581-T583 WeakPolarHBondContact OD1-CB 3.35Å; D581-T583 WeakPolarHBondContact OD1-CG2 3.05Å; D581-T583 PolarHBondContact OD1-N 3.45Å; D581-T583 PolarHBondContact OD1-OG1 3.1Å; D581-T583 PolarHBondContact OD2-OG1 2.89Å; D581-I584 HydrophobicContact CB-CD1 4.28Å; D581-I584 PolarHBondContact O-N 3.43Å; D581-F604 WeakPolarHBondContact OD2-CD2 3.39Å
582	S	84	Confident	87.5	Confident	97 Å²	97	54.7 Å²	54.7	68%	0.678	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-12.3	176.6	53.8	0	0	0	0	114.1	I584	S582-I584 VanDerWaalsContact C-N 3.3Å
583	T	87.7	Confident	87.5	Confident	7 Å²	7	56 Å²	56	4%	0.043	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-12.7	177.7	69.4	0	0	0	0	113.4	D581 V599 Q600 R603	D581-T583 PolarHBondContact O-N 3.14Å; D581-T583 VanDerWaalsContact O-N 3.12Å; D581-T583 VanDerWaalsContact OD1-CB 3.26Å; D581-T583 WeakPolarHBondContact OD1-CB 3.35Å; D581-T583 WeakPolarHBondContact OD1-CG2 3.05Å; D581-T583 PolarHBondContact OD1-N 3.45Å; D581-T583 PolarHBondContact OD1-OG1 3.1Å; D581-T583 PolarHBondContact OD2-OG1 2.89Å; T583-V599 CarbonylContact O-C 3.56Å; T583-V599 WeakPolarHBondContact O-CA 3.49Å; T583-Q600 HydrophobicContact CG2-CB 4.29Å; T583-Q600 PolarHBondContact O-N 3.17Å; T583-R603 HydrophobicContact CG2-CB 4.18Å; T583-R603 HydrophobicContact CG2-CG 4.01Å
584	I	91.1	Very high	87.5	Confident	14 Å²	14	54.8 Å²	54.8	7%	0.072	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	130.8	-176.5	-56.6	167.4	0	0	0	109.7	I571 P577 H578 D581 S582 V599 F604	I571-I584 HydrophobicContact CG2-CD1 4.11Å; I571-I584 HydrophobicContact CG2-CG1 4.13Å; I571-I584 HydrophobicContact CG2-CG2 3.74Å; P577-I584 HydrophobicContact CB-CG2 4Å; H578-I584 HydrophobicContact CB-CD1 4.45Å; D581-I584 HydrophobicContact CB-CD1 4.28Å; D581-I584 PolarHBondContact O-N 3.43Å; S582-I584 VanDerWaalsContact C-N 3.3Å; I584-V599 HydrophobicContact CG1-CG2 4.05Å; I584-F604 HydrophobicContact CD1-CD2 4.18Å; I584-F604 HydrophobicContact CD1-CE2 3.78Å; I584-F604 HydrophobicContact CD1-CZ 4.31Å
585	Q	90.9	Very high	87.7	Confident	89 Å²	89	52 Å²	52	42%	0.416	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	123.7	174.1	-55.7	173.1	1.7	0	0	109	F597 S598	Q585-F597 CarbonylContact O-C 3.51Å; Q585-F597 WeakPolarHBondContact O-CA 3.47Å; Q585-F597 WeakPolarHBondContact O-CB 3.4Å; Q585-S598 PolarHBondContact N-O 3.44Å; Q585-S598 PolarHBondContact O-N 2.91Å
586	V	92.6	Very high	87.8	Confident	47 Å²	47	47.9 Å²	47.9	29%	0.285	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	116.5	175.1	179.9	0	0	0	0	107.5	I572 P577 N589 F597	I572-V586 HydrophobicContact CD1-CG2 4.09Å; I572-V586 HydrophobicContact CG1-CG2 4.26Å; P577-V586 HydrophobicContact CB-CG2 3.71Å; P577-V586 HydrophobicContact CG-CB 4.33Å; P577-V586 HydrophobicContact CG-CG2 3.74Å; V586-N589 HydrophobicContact CG1-CB 3.88Å; V586-F597 HydrophobicContact CB-CB 4.41Å; V586-F597 HydrophobicContact CG2-CB 3.95Å
587	V	90.4	Very high	88	Confident	35 Å²	35	46.7 Å²	46.7	21%	0.212	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-39.1	-178.3	-176.1	0	0	0	0	110.1	E446 T447 Y517 R596	E446-V587 HydrophobicContact CB-CG1 4.09Å; E446-V587 VanDerWaalsContact OE2-CG2 3.3Å; E446-V587 WeakPolarHBondContact OE2-CG2 3.21Å; T447-V587 HydrophobicContact CG2-CG1 3.76Å; Y517-V587 HydrophobicContact CE2-CG2 4.43Å; V587-R596 HydrophobicContact CB-CB 3.96Å; V587-R596 PolarHBondContact N-O 3.31Å
588	E	91.1	Very high	88.3	Confident	30 Å²	30	45.2 Å²	45.2	14%	0.14	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	128.3	-174.8	-171.1	178.6	-165.8	0	0	110.4	M552 E591 S592 G595 R596	M552-E588 WeakPolarHBondContact CE-O 3.32Å; E588-E591 HydrophobicContact CG-CB 4.09Å; E588-E591 HydrophobicContact CG-CG 4.38Å; E588-S592 WeakPolarHBondContact OE1-CB 3.45Å; E588-S592 PolarHBondContact OE1-OG 2.58Å; E588-G595 CarbonylContact O-C 3.59Å; E588-G595 WeakPolarHBondContact O-CA 3.39Å; E588-R596 HydrophobicContact CB-CB 4.26Å; E588-R596 PolarHBondContact N-O 2.98Å; E588-R596 PolarHBondContact O-N 2.91Å; E588-R596 IonicContact OE2-NE 3.35Å
589	N	93.9	Very high	88.9	Confident	7 Å²	7	41.5 Å²	41.5	4%	0.037	22%	0.217	C	C	.	.	S	Bend	trans	-154	120.5	173	-168.3	23.1	0	0	0	111.1	M552 R575 V586 E591 P629	M552-N589 WeakPolarHBondContact CB-OD1 3.04Å; M552-N589 HydrophobicContact CE-CB 3.93Å; M552-N589 WeakPolarHBondContact CE-OD1 3.06Å; M552-N589 PolarHBondContact N-OD1 3.45Å; M552-N589 PolarHBondContact O-ND2 3Å; R575-N589 PolarHBondContact O-ND2 3.07Å; V586-N589 HydrophobicContact CG1-CB 3.88Å; N589-E591 VanDerWaalsContact C-N 3.31Å; N589-E591 PolarHBondContact O-N 3.35Å; N589-P629 WeakPolarHBondContact O-CD 3.4Å
590	G	90.9	Very high	90	Very high	3 Å²	3	38.4 Å²	38.4	3%	0.031	20%	0.196	C	C	.	.	S	Bend	trans	71	21.3	-178.9	0	0	0	0	0	114.8	L550 C627 K628	L550-G590 WeakPolarHBondContact O-CA 3.19Å; L550-G590 PolarHBondContact O-N 2.82Å; G590-C627 CarbonylContact O-C 3.57Å; G590-C627 WeakPolarHBondContact O-CB 3.04Å; G590-K628 PolarHBondContact O-N 3.48Å
591	E	90.1	Very high	90.5	Very high	95 Å²	95	27.7 Å²	27.7	44%	0.444	16%	0.156	S	C	.	.	S	Bend	trans	-107.3	-32.2	-178	-49.6	-160.6	-150	0	0	113.2	E588 N589 K628	E588-E591 HydrophobicContact CG-CB 4.09Å; E588-E591 HydrophobicContact CG-CG 4.38Å; N589-E591 VanDerWaalsContact C-N 3.31Å; N589-E591 PolarHBondContact O-N 3.35Å; E591-K628 VanDerWaalsContact CD-CE 3.41Å; E591-K628 HydrophobicContact CG-CB 4.36Å; E591-K628 HydrophobicContact CG-CD 3.91Å; E591-K628 HydrophobicContact CG-CG 4.06Å; E591-K628 WeakPolarHBondContact OE1-CE 3.05Å; E591-K628 IonicContact OE1-NZ 2.71Å; E591-K628 PolarHBondContact OE1-NZ 2.91Å; E591-K628 WeakPolarHBondContact OE2-CE 3.18Å; E591-K628 IonicContact OE2-NZ 3.02Å; E591-K628 PolarHBondContact OE2-NZ 3.34Å
592	S	89.9	Confident	90.5	Very high	40 Å²	40	26 Å²	26	28%	0.28	15%	0.146	S	C	.	.	S	Bend	trans	-143.1	-166.7	178.8	81.5	0	0	0	0	111.6	A549 L550 E588 Q594	A549-S592 CarbonylContact C-O 3.59Å; A549-S592 WeakPolarHBondContact CA-O 3.41Å; L550-S592 PolarHBondContact N-O 3.02Å; E588-S592 WeakPolarHBondContact OE1-CB 3.45Å; E588-S592 PolarHBondContact OE1-OG 2.58Å; S592-Q594 PolarHBondContact O-N 2.88Å; S592-Q594 PolarHBondContact OG-N 2.87Å
593	S	90.6	Very high	90.3	Very high	27 Å²	27	29.4 Å²	29.4	19%	0.189	14%	0.144	C	C	.	.	S	Bend	trans	-71.9	4.5	169.8	60	0	0	0	0	113.9	L540	L540-S593 WeakPolarHBondContact CB-O 3.24Å; L540-S593 PolarHBondContact N-O 2.77Å
594	Q	91.1	Very high	89.4	Confident	18 Å²	18	30.9 Å²	30.9	8%	0.084	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	157.1	178.7	-52.8	-166.4	14.5	0	0	111.4	D479 M480 T538 S592	D479-Q594 PolarHBondContact OD1-NE2 3.15Å; M480-Q594 HydrophobicContact CE-CB 3.87Å; M480-Q594 HydrophobicContact CE-CG 4.35Å; T538-Q594 WeakPolarHBondContact O-CA 3.15Å; S592-Q594 PolarHBondContact O-N 2.88Å; S592-Q594 PolarHBondContact OG-N 2.87Å
595	G	92.8	Very high	88.6	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	140.9	172.6	0	0	0	0	0	110.7	G537 T538 E588	G537-G595 CarbonylContact C-O 3.59Å; G537-G595 WeakPolarHBondContact CA-O 3.41Å; T538-G595 PolarHBondContact N-O 2.96Å; T538-G595 PolarHBondContact O-N 2.87Å; T538-G595 WeakPolarHBondContact OG1-CA 3.3Å; T538-G595 PolarHBondContact OG1-O 3.15Å; E588-G595 CarbonylContact O-C 3.59Å; E588-G595 WeakPolarHBondContact O-CA 3.39Å
596	R	94.6	Very high	87.5	Confident	8 Å²	8	28.1 Å²	28.1	3%	0.03	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	127.5	-171.5	-68	176.8	-155.1	-153.7	-7.6	111.3	E446 L478 M480 Y517 V587 E588	E446-R596 PolarHBondContact O-NH1 3.4Å; L478-R596 PolarHBondContact O-NH2 3.08Å; M480-R596 HydrophobicContact CE-CG 3.76Å; M480-R596 HydrophobicContact SD-CG 3.99Å; Y517-R596 HydrophobicContact CD1-CG 4.21Å; Y517-R596 HydrophobicContact CD2-CG 4.4Å; Y517-R596 HydrophobicContact CE1-CB 3.96Å; Y517-R596 HydrophobicContact CE1-CG 4.15Å; Y517-R596 HydrophobicContact CE2-CB 4.2Å; Y517-R596 HydrophobicContact CE2-CG 4.36Å; Y517-R596 HydrophobicContact CG-CG 4.36Å; V587-R596 HydrophobicContact CB-CB 3.96Å; V587-R596 PolarHBondContact N-O 3.31Å; E588-R596 HydrophobicContact CB-CB 4.26Å; E588-R596 PolarHBondContact N-O 2.98Å; E588-R596 PolarHBondContact O-N 2.91Å; E588-R596 IonicContact OE2-NE 3.35Å
597	F	94.9	Very high	86.7	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	156.1	168	71.5	-90	0	0	0	111.7	Y517 V536 M552 C555 I571 I572 Q585 V586 V599 L613	Y517-F597 PolarHBondContact OH-O 2.04Å; V536-F597 HydrophobicContact CB-CD1 4.09Å; V536-F597 HydrophobicContact CB-CD2 4.24Å; V536-F597 HydrophobicContact CB-CE1 3.7Å; V536-F597 HydrophobicContact CB-CE2 3.85Å; V536-F597 HydrophobicContact CB-CG 4.36Å; V536-F597 HydrophobicContact CB-CZ 3.57Å; V536-F597 HydrophobicContact CG1-CD1 4.39Å; V536-F597 HydrophobicContact CG1-CE1 3.63Å; V536-F597 HydrophobicContact CG1-CE2 4.42Å; V536-F597 HydrophobicContact CG1-CZ 3.65Å; V536-F597 HydrophobicContact CG2-CD2 4.3Å; V536-F597 HydrophobicContact CG2-CE1 4.36Å; V536-F597 HydrophobicContact CG2-CE2 3.67Å; V536-F597 HydrophobicContact CG2-CZ 3.72Å; V536-F597 PolarHBondContact N-O 3.41Å; V536-F597 PolarHBondContact O-N 2.94Å; M552-F597 HydrophobicContact CE-CD1 4.11Å; M552-F597 HydrophobicContact SD-CD1 3.73Å; M552-F597 HydrophobicContact SD-CE1 3.89Å; C555-F597 HydrophobicContact CB-CE1 4.43Å; C555-F597 HydrophobicContact CB-CZ 4.26Å; I571-F597 HydrophobicContact CD1-CE2 4.2Å; I571-F597 HydrophobicContact CG2-CD2 3.98Å; I571-F597 HydrophobicContact CG2-CE2 3.88Å; I572-F597 HydrophobicContact CD1-CD1 4.16Å; I572-F597 HydrophobicContact CD1-CG 4.45Å; Q585-F597 CarbonylContact O-C 3.51Å; Q585-F597 WeakPolarHBondContact O-CA 3.47Å; Q585-F597 WeakPolarHBondContact O-CB 3.4Å; V586-F597 HydrophobicContact CB-CB 4.41Å; V586-F597 HydrophobicContact CG2-CB 3.95Å; F597-V599 HydrophobicContact CE2-CG1 4.26Å; F597-L613 HydrophobicContact CZ-CD1 4.39Å; F597-L613 HydrophobicContact CZ-CD2 4.4Å
598	S	94.3	Very high	86.2	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	148.4	172.3	79.4	0	0	0	0	110.8	F533 L534 Y535 Q585	F533-S598 WeakPolarHBondContact CD1-OG 3.04Å; L534-S598 CarbonylContact O-C 3.52Å; L534-S598 VanDerWaalsContact O-CA 3.25Å; L534-S598 WeakPolarHBondContact O-CA 3.39Å; Y535-S598 VanDerWaalsContact CD1-CB 3.47Å; Q585-S598 PolarHBondContact N-O 3.44Å; Q585-S598 PolarHBondContact O-N 2.91Å
599	V	93.7	Very high	85.8	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	134.7	178.1	61.7	0	0	0	0	113	L534 I571 T583 I584 F597 M601 F604	L534-V599 HydrophobicContact CB-CG1 4.33Å; L534-V599 PolarHBondContact N-O 3.48Å; L534-V599 PolarHBondContact O-N 2.91Å; I571-V599 HydrophobicContact CD1-CG1 4.26Å; I571-V599 HydrophobicContact CG2-CB 4.48Å; T583-V599 CarbonylContact O-C 3.56Å; T583-V599 WeakPolarHBondContact O-CA 3.49Å; I584-V599 HydrophobicContact CG1-CG2 4.05Å; F597-V599 HydrophobicContact CE2-CG1 4.26Å; V599-M601 VanDerWaalsContact C-N 3.27Å; V599-M601 HydrophobicContact CG1-CE 3.74Å; V599-M601 PolarHBondContact O-N 3.08Å; V599-F604 HydrophobicContact CG2-CB 4.25Å; V599-F604 HydrophobicContact CG2-CD1 4.47Å; V599-F604 HydrophobicContact CG2-CG 4.35Å
600	Q	90.8	Very high	85.5	Confident	20 Å²	20	38.8 Å²	38.8	9%	0.093	20%	0.198	C	C	.	.			trans	-77	77.4	168.3	-61.5	-166.7	-50.6	0	0	110.5	E531 F533 T583 F602 R603 F604	E531-Q600 PolarHBondContact O-NE2 2.98Å; F533-Q600 HydrophobicContact CD1-CG 3.84Å; F533-Q600 HydrophobicContact CD2-CG 3.78Å; F533-Q600 HydrophobicContact CE1-CG 3.64Å; F533-Q600 HydrophobicContact CE2-CG 3.58Å; F533-Q600 HydrophobicContact CG-CG 3.92Å; F533-Q600 HydrophobicContact CZ-CG 3.51Å; T583-Q600 HydrophobicContact CG2-CB 4.29Å; T583-Q600 PolarHBondContact O-N 3.17Å; Q600-F602 PolarHBondContact O-N 2.94Å; Q600-F602 VanDerWaalsContact O-N 3.16Å; Q600-R603 HydrophobicContact CB-CB 3.94Å; Q600-R603 PolarHBondContact O-N 3.17Å; Q600-F604 PolarHBondContact O-N 2.04Å
601	M	84.8	Confident	85.5	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-48.7	-48.5	-165.2	-170.9	60.1	74.2	0	0	114.7	L528 L534 A557 I571 V599 F604 A605 V611 L613 I653	L528-M601 HydrophobicContact CD1-CB 4.12Å; L534-M601 HydrophobicContact CD2-CE 3.73Å; A557-M601 HydrophobicContact CB-SD 4.08Å; I571-M601 HydrophobicContact CD1-CE 4.34Å; V599-M601 VanDerWaalsContact C-N 3.27Å; V599-M601 HydrophobicContact CG1-CE 3.74Å; V599-M601 PolarHBondContact O-N 3.08Å; M601-F604 PolarHBondContact O-N 3.19Å; M601-A605 PolarHBondContact O-N 3.45Å; M601-V611 HydrophobicContact CG-CG2 3.56Å; M601-V611 HydrophobicContact SD-CG2 3.82Å; M601-L613 HydrophobicContact CE-CD1 4.36Å; M601-I653 HydrophobicContact CE-CD1 4.18Å; M601-I653 HydrophobicContact CG-CG2 4.39Å
602	F	80.8	Confident	85.7	Confident	9 Å²	9	36.4 Å²	36.4	4%	0.039	19%	0.185	C	C	.	.	H	α-helix	trans	-85.6	-5.6	-178	-67.4	-66.7	0	0	0	114.8	L528 T530 Q600 G606 Y608 V611 I653 T654 R655	L528-F602 HydrophobicContact CB-CD2 4.11Å; L528-F602 HydrophobicContact CB-CE2 4.01Å; L528-F602 HydrophobicContact CD1-CE2 4.4Å; T530-F602 HydrophobicContact CG2-CB 4.34Å; Q600-F602 PolarHBondContact O-N 2.94Å; Q600-F602 VanDerWaalsContact O-N 3.16Å; F602-G606 WeakPolarHBondContact O-CA 3.36Å; F602-Y608 WeakPolarHBondContact CD1-O 3.38Å; F602-Y608 VanDerWaalsContact CE1-O 3.31Å; F602-Y608 WeakPolarHBondContact CE1-O 3.08Å; F602-V611 HydrophobicContact CE1-CG2 4.38Å; F602-V611 HydrophobicContact CZ-CG2 4.44Å; F602-I653 HydrophobicContact CE2-CG2 4.16Å; F602-I653 HydrophobicContact CZ-CG2 4.23Å; F602-T654 VanDerWaalsContact CE2-C 3.45Å; F602-T654 VanDerWaalsContact CE2-O 3.3Å; F602-T654 WeakPolarHBondContact CE2-O 3.5Å; F602-R655 HydrophobicContact CD1-CB 4.2Å; F602-R655 HydrophobicContact CD2-CB 4.21Å; F602-R655 HydrophobicContact CD2-CG 4.35Å; F602-R655 HydrophobicContact CE1-CB 4.04Å; F602-R655 HydrophobicContact CE2-CB 4.05Å; F602-R655 HydrophobicContact CG-CB 4.29Å; F602-R655 HydrophobicContact CG-CG 4.32Å; F602-R655 HydrophobicContact CZ-CB 3.98Å; F602-R655 VanDerWaalsContact CZ-N 3.31Å
603	R	79.8	Confident	86	Confident	168 Å²	168	34.5 Å²	34.5	63%	0.634	17%	0.171	S	C	*	.	H	α-helix	trans	-86.1	-29.9	164.9	-164.4	174.7	-172.1	165.8	5.8	111.2	T583 Q600	T583-R603 HydrophobicContact CG2-CB 4.18Å; T583-R603 HydrophobicContact CG2-CG 4.01Å; Q600-R603 HydrophobicContact CB-CB 3.94Å; Q600-R603 PolarHBondContact O-N 3.17Å
604	F	69.3	Low	86.3	Confident	39 Å²	39	33.3 Å²	33.3	17%	0.171	16%	0.163	C	C	.	.	H	α-helix	trans	-79.9	-46.6	177.8	-179.2	-108.9	0	0	0	113	F570 I571 D581 I584 V599 Q600 M601	F570-F604 WeakPolarHBondContact O-CZ 3.19Å; I571-F604 HydrophobicContact CG1-CD1 4.3Å; I571-F604 HydrophobicContact CG1-CE1 3.69Å; I571-F604 HydrophobicContact CG1-CZ 4.19Å; D581-F604 WeakPolarHBondContact OD2-CD2 3.39Å; I584-F604 HydrophobicContact CD1-CD2 4.18Å; I584-F604 HydrophobicContact CD1-CE2 3.78Å; I584-F604 HydrophobicContact CD1-CZ 4.31Å; V599-F604 HydrophobicContact CG2-CB 4.25Å; V599-F604 HydrophobicContact CG2-CD1 4.47Å; V599-F604 HydrophobicContact CG2-CG 4.35Å; Q600-F604 PolarHBondContact O-N 2.04Å; M601-F604 PolarHBondContact O-N 3.19Å
605	A	72.5	Confident	86.6	Confident	2 Å²	2	32.4 Å²	32.4	2%	0.017	16%	0.159	C	C	.	.	S	Bend	trans	-112.9	37	-178.1	0	0	0	0	0	113.1	Y569 M601 N607 Y608 V611	Y569-A605 HydrophobicContact CG-CB 4.45Å; M601-A605 PolarHBondContact O-N 3.45Å; A605-N607 PolarHBondContact O-N 3.4Å; A605-Y608 PolarHBondContact O-N 2.04Å; A605-V611 HydrophobicContact CB-CG1 4.13Å
606	G	68.3	Low	86.8	Confident	42 Å²	42	33.2 Å²	33.2	43%	0.433	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	3.6	-165	0	0	0	0	0	118.8	F602 Y608	F602-G606 WeakPolarHBondContact O-CA 3.36Å; G606-Y608 VanDerWaalsContact C-N 3.35Å
607	N	77	Confident	86.8	Confident	139 Å²	139	32.8 Å²	32.8	74%	0.743	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-8	174	-70.3	-7	0	0	0	113.4	A605	A605-N607 PolarHBondContact O-N 3.4Å
608	Y	79.6	Confident	86.8	Confident	78 Å²	78	36.8 Å²	36.8	31%	0.306	18%	0.176	S	C	.	.			trans	-131.9	135	-177	-57.4	-81.7	0	0	0	111	P559 Y569 F602 A605 G606 L610	P559-Y608 HydrophobicContact CB-CD1 3.84Å; P559-Y608 HydrophobicContact CB-CD2 4.19Å; P559-Y608 HydrophobicContact CB-CE1 3.78Å; P559-Y608 HydrophobicContact CB-CE2 4.14Å; P559-Y608 HydrophobicContact CB-CG 4.05Å; P559-Y608 HydrophobicContact CG-CE1 4.48Å; Y569-Y608 HydrophobicContact CE2-CD2 4.47Å; Y569-Y608 HydrophobicContact CE2-CE2 4.05Å; F602-Y608 WeakPolarHBondContact CD1-O 3.38Å; F602-Y608 VanDerWaalsContact CE1-O 3.31Å; F602-Y608 WeakPolarHBondContact CE1-O 3.08Å; A605-Y608 PolarHBondContact O-N 2.04Å; G606-Y608 VanDerWaalsContact C-N 3.35Å; Y608-L610 WeakPolarHBondContact CB-O 3.49Å; Y608-L610 PolarHBondContact O-N 2.83Å
609	D	82.3	Confident	86.7	Confident	63 Å²	63	37.2 Å²	37.2	34%	0.337	18%	0.179	S	C	.	.	S	Bend	trans	-84.1	0.1	173.9	-59.6	-56.2	0	0	0	113	T654 R655 V658	D609-T654 CarbonylContact O-C 3.57Å; D609-T654 WeakPolarHBondContact O-CA 3.18Å; D609-R655 HydrophobicContact CB-CB 4.09Å; D609-R655 PolarHBondContact O-N 2.72Å; D609-R655 WeakPolarHBondContact OD1-CD 3.37Å; D609-R655 IonicContact OD1-CZ 3.86Å; D609-R655 IonicContact OD1-NE 3.88Å; D609-R655 IonicContact OD1-NH1 3Å; D609-R655 PolarHBondContact OD1-NH1 2.67Å; D609-V658 HydrophobicContact CB-CB 4.18Å; D609-V658 HydrophobicContact CB-CG1 4.28Å; D609-V658 HydrophobicContact CB-CG2 3.98Å
610	L	86.7	Confident	86.7	Confident	63 Å²	63	37.2 Å²	37.2	33%	0.33	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	130.3	177.3	168.3	62.4	0	0	0	109.5	Y608 Y612 P652 I653 T654	Y608-L610 WeakPolarHBondContact CB-O 3.49Å; Y608-L610 PolarHBondContact O-N 2.83Å; L610-Y612 HydrophobicContact CD1-CE2 4.09Å; L610-Y612 HydrophobicContact CD2-CE2 4.25Å; L610-Y612 HydrophobicContact CG-CE2 4.21Å; L610-P652 HydrophobicContact CD1-CB 3.23Å; L610-I653 WeakPolarHBondContact CA-O 3.44Å; L610-T654 HydrophobicContact CD1-CG2 3.95Å
611	V	92.4	Very high	86.7	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	160.2	172.5	-62.7	0	0	0	0	111.9	T558 M601 F602 A605 I653	T558-V611 CarbonylContact O-C 3.49Å; T558-V611 WeakPolarHBondContact O-CA 3.08Å; M601-V611 HydrophobicContact CG-CG2 3.56Å; M601-V611 HydrophobicContact SD-CG2 3.82Å; F602-V611 HydrophobicContact CE1-CG2 4.38Å; F602-V611 HydrophobicContact CZ-CG2 4.44Å; A605-V611 HydrophobicContact CB-CG1 4.13Å; V611-I653 HydrophobicContact CG2-CB 4.08Å; V611-I653 HydrophobicContact CG2-CG2 4.42Å; V611-I653 PolarHBondContact N-O 3.24Å; V611-I653 PolarHBondContact O-N 3.36Å
612	Y	94.3	Very high	86.9	Confident	48 Å²	48	40.3 Å²	40.3	19%	0.188	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	149.9	169.8	-67.2	-100.5	0	0	0	109.5	A557 T558 S560 L610 P652	A557-Y612 CarbonylContact C-O 3.59Å; A557-Y612 WeakPolarHBondContact CA-O 3.44Å; T558-Y612 PolarHBondContact N-O 2.83Å; T558-Y612 PolarHBondContact O-N 3.46Å; S560-Y612 VanDerWaalsContact C-CD2 3.41Å; S560-Y612 WeakPolarHBondContact O-CD2 3.07Å; L610-Y612 HydrophobicContact CD1-CE2 4.09Å; L610-Y612 HydrophobicContact CD2-CE2 4.25Å; L610-Y612 HydrophobicContact CG-CE2 4.21Å; Y612-P652 HydrophobicContact CE1-CB 4.17Å
613	L	95.8	Very high	87.2	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.8	-178.2	177.2	66	0	0	0	110.2	M509 L511 V536 I571 F597 M601 N649 L650 I653	M509-L613 HydrophobicContact CE-CD2 4.42Å; M509-L613 HydrophobicContact CE-CG 4.38Å; M509-L613 HydrophobicContact SD-CD2 4.44Å; L511-L613 HydrophobicContact CD2-CD2 4Å; V536-L613 HydrophobicContact CG1-CD2 3.94Å; V536-L613 HydrophobicContact CG2-CD2 3.75Å; I571-L613 HydrophobicContact CD1-CD1 3.59Å; F597-L613 HydrophobicContact CZ-CD1 4.39Å; F597-L613 HydrophobicContact CZ-CD2 4.4Å; M601-L613 HydrophobicContact CE-CD1 4.36Å; L613-N649 WeakPolarHBondContact O-CA 3.04Å; L613-L650 PolarHBondContact N-O 2.83Å; L613-L650 PolarHBondContact O-N 2.87Å; L613-I653 HydrophobicContact CB-CD1 3.97Å
614	H	96.9	Very high	87.6	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.2	-177.8	-59.8	-75.8	0	0	0	109.3	C555 Y556 T558 A563 V647 L648 N649	C555-H614 CarbonylContact C-O 3.56Å; C555-H614 VanDerWaalsContact CA-O 3.26Å; C555-H614 WeakPolarHBondContact CA-O 3.44Å; Y556-H614 HydrophobicContact CD1-CB 4.39Å; Y556-H614 HydrophobicContact CD2-CB 3.96Å; Y556-H614 HydrophobicContact CE1-CB 3.99Å; Y556-H614 HydrophobicContact CE2-CB 3.53Å; Y556-H614 AromaticContact CE2-CG 3.97Å; Y556-H614 HydrophobicContact CG-CB 4.37Å; Y556-H614 PolarHBondContact N-O 2.03Å; Y556-H614 PolarHBondContact O-N 2.82Å; T558-H614 PolarHBondContact OG1-CD2 2.03Å; T558-H614 PolarHBondContact OG1-NE2 3.32Å; A563-H614 WeakPolarHBondContact CB-ND1 3.06Å; H614-V647 HydrophobicContact CB-CG1 3.9Å; H614-L648 CarbonylContact C-O 3.43Å; H614-L648 WeakPolarHBondContact CA-O 3.33Å; H614-N649 PolarHBondContact CE1-OD1 3.37Å; H614-N649 PolarHBondContact ND1-OD1 2.04Å
615	C	97.3	Very high	88.7	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	116.6	177.1	-79.8	0	0	0	0	111.3	M509 N554 C555 V647 L648	M509-C615 HydrophobicContact CE-CB 4.39Å; M509-C615 HydrophobicContact SD-CB 3.66Å; N554-C615 WeakPolarHBondContact O-CA 3.42Å; C555-C615 HydrophobicContact CB-CB 4.22Å; C555-C615 WeakPolarHBondContact CB-SG 3.04Å; C555-C615 WeakPolarHBondContact SG-CB 3.23Å; C555-C615 CovalentContact SG-SG 2.05Å; C555-C615 PolarHBondContact SG-SG 2.85Å; C615-V647 WeakPolarHBondContact O-CA 3.37Å; C615-L648 PolarHBondContact N-O 3.06Å; C615-L648 PolarHBondContact O-N 2.83Å
616	E	96.3	Very high	89.6	Confident	16 Å²	16	55.4 Å²	55.4	8%	0.075	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	131.6	167.2	-171.1	-169.7	-142.9	0	0	110.2	T553 N554 I642 D643 R646 V647	T553-E616 WeakPolarHBondContact CB-OE2 3.22Å; T553-E616 PolarHBondContact N-O 3.08Å; T553-E616 WeakPolarHBondContact OG1-CB 3.5Å; T553-E616 WeakPolarHBondContact OG1-CG 3.36Å; T553-E616 PolarHBondContact OG1-O 3.15Å; T553-E616 PolarHBondContact OG1-OE2 3.22Å; N554-E616 HydrophobicContact CB-CB 4.12Å; N554-E616 PolarHBondContact ND2-OE2 2.76Å; N554-E616 PolarHBondContact O-N 3.25Å; E616-I642 HydrophobicContact CB-CG2 4.15Å; E616-I642 HydrophobicContact CG-CG2 4.25Å; E616-I642 WeakPolarHBondContact OE1-CA 3.05Å; E616-D643 PolarHBondContact OE1-N 2.95Å; E616-R646 WeakPolarHBondContact CA-O 3.32Å; E616-R646 HydrophobicContact CG-CB 4.07Å; E616-V647 HydrophobicContact CB-CG2 4.21Å
617	V	95.7	Very high	90.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.8	-178.4	-68.6	0	0	0	0	113.1	L495 I497 V507 L550 L551 M552 R646 L648	L495-V617 HydrophobicContact CD2-CG2 4.26Å; I497-V617 HydrophobicContact CD1-CG2 4.43Å; V507-V617 HydrophobicContact CB-CG2 4.29Å; V507-V617 HydrophobicContact CG1-CB 4.5Å; V507-V617 HydrophobicContact CG1-CG1 4.37Å; V507-V617 HydrophobicContact CG1-CG2 4.11Å; V507-V617 HydrophobicContact CG2-CG2 4.18Å; L550-V617 HydrophobicContact CD1-CB 4.19Å; L550-V617 HydrophobicContact CD1-CG1 4.33Å; L551-V617 WeakPolarHBondContact O-CA 3.04Å; M552-V617 HydrophobicContact CG-CG1 4.46Å; V617-R646 WeakPolarHBondContact CG2-O 3.49Å; V617-R646 PolarHBondContact N-O 2.87Å; V617-L648 HydrophobicContact CG1-CD1 3.91Å; V617-L648 HydrophobicContact CG2-CD1 3.9Å
618	Y	94.1	Very high	91.4	Very high	83 Å²	83	53 Å²	53	33%	0.325	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	141.7	177.5	179.4	-107.4	0	0	0	110.1	L551 C620 E625	L551-Y618 HydrophobicContact CD2-CD1 4.11Å; L551-Y618 PolarHBondContact N-O 2.83Å; L551-Y618 PolarHBondContact O-N 2.88Å; Y618-C620 HydrophobicContact CD1-CB 3.99Å; Y618-C620 HydrophobicContact CE1-CB 3.97Å; Y618-E625 VanDerWaalsContact CE1-OE1 3.29Å; Y618-E625 WeakPolarHBondContact CE1-OE1 3.48Å; Y618-E625 PolarHBondContact OH-OE1 3.01Å
619	L	93	Very high	91.9	Very high	10 Å²	10	50.9 Å²	50.9	5%	0.052	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	103.5	175.3	-55	-173.3	0	0	0	107.4	I497 V499 F505 V507 L540 F548 L550	I497-L619 HydrophobicContact CB-CD1 4.18Å; I497-L619 HydrophobicContact CD1-CD1 4.28Å; I497-L619 HydrophobicContact CD1-CD2 4.41Å; I497-L619 HydrophobicContact CD1-CG 4.15Å; I497-L619 HydrophobicContact CG2-CD1 3.93Å; V499-L619 HydrophobicContact CG2-CD1 4.11Å; F505-L619 HydrophobicContact CB-CD1 3.82Å; F505-L619 HydrophobicContact CD1-CD1 4.33Å; F505-L619 HydrophobicContact CD2-CD1 4Å; F505-L619 HydrophobicContact CG-CD1 3.79Å; V507-L619 HydrophobicContact CG2-CD2 4.12Å; L540-L619 HydrophobicContact CD1-CD1 4.25Å; L540-L619 HydrophobicContact CD1-CD2 3.43Å; L540-L619 VanDerWaalsContact CD1-CD2 3.43Å; L540-L619 HydrophobicContact CD2-CD2 4.07Å; L540-L619 HydrophobicContact CG-CD2 4.37Å; F548-L619 HydrophobicContact CD1-CB 4.12Å; L550-L619 HydrophobicContact CD1-CD2 4.14Å
620	C	92.3	Very high	92.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	128	-173.6	178.8	0	0	0	0	110.8	F548 A549 L551 Y618 T622 E625 C627	F548-C620 CarbonylContact C-O 3.49Å; F548-C620 WeakPolarHBondContact CA-O 3.45Å; A549-C620 PolarHBondContact N-O 3.39Å; A549-C620 PolarHBondContact O-N 3.17Å; L551-C620 HydrophobicContact CB-CB 4.33Å; Y618-C620 HydrophobicContact CD1-CB 3.99Å; Y618-C620 HydrophobicContact CE1-CB 3.97Å; C620-T622 PolarHBondContact O-N 3.3Å; C620-E625 WeakPolarHBondContact CA-OE1 3Å; C620-E625 VanDerWaalsContact SG-CG 3.52Å; C620-E625 PolarHBondContact SG-OE1 3.43Å; C620-E625 VanDerWaalsContact SG-OE1 3.36Å; C620-C627 VanDerWaalsContact C-SG 3.59Å; C620-C627 HydrophobicContact CB-CB 3.75Å; C620-C627 WeakPolarHBondContact CB-SG 3.46Å; C620-C627 WeakPolarHBondContact SG-CA 3.37Å; C620-C627 WeakPolarHBondContact SG-CB 3.36Å; C620-C627 CovalentContact SG-SG 2.03Å; C620-C627 PolarHBondContact SG-SG 3.17Å
621	D	91	Very high	92	Very high	18 Å²	18	53.6 Å²	53.6	10%	0.096	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	103.1	-176.2	-171.1	-10	0	0	0	110.5	R547 F548 M623 N624 E625	R547-D621 VanDerWaalsContact CG-OD1 3.27Å; R547-D621 WeakPolarHBondContact CG-OD1 3.32Å; R547-D621 IonicContact CZ-OD1 2.68Å; R547-D621 IonicContact CZ-OD2 2.74Å; R547-D621 IonicContact NE-OD1 2.66Å; R547-D621 PolarHBondContact NE-OD1 2.85Å; R547-D621 IonicContact NE-OD2 2.78Å; R547-D621 PolarHBondContact NE-OD2 3.47Å; R547-D621 VanDerWaalsContact NE-OD2 3.15Å; R547-D621 IonicContact NH2-OD2 2.69Å; R547-D621 PolarHBondContact NH2-OD2 2.95Å; F548-D621 HydrophobicContact CD1-CB 4.31Å; F548-D621 HydrophobicContact CE1-CB 3.93Å; D621-M623 PolarHBondContact O-N 3.26Å; D621-M623 PolarHBondContact OD1-N 3.03Å; D621-N624 HydrophobicContact CB-CB 4.33Å; D621-N624 PolarHBondContact O-N 3.02Å; D621-N624 PolarHBondContact OD2-ND2 2.86Å; D621-E625 PolarHBondContact N-OE1 3.4Å; D621-E625 VanDerWaalsContact O-CG 3.27Å; D621-E625 WeakPolarHBondContact O-CG 3.47Å; D621-E625 PolarHBondContact O-N 3.1Å
622	T	89.5	Confident	91.1	Very high	66 Å²	66	58.1 Å²	58.1	41%	0.405	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.3	-171.5	60.2	0	0	0	0	113.6	R547 A549 C620	R547-T622 PolarHBondContact O-N 3.2Å; R547-T622 PolarHBondContact O-OG1 2.97Å; A549-T622 HydrophobicContact CB-CG2 3.79Å; C620-T622 PolarHBondContact O-N 3.3Å
623	M	87.3	Confident	89.5	Confident	150 Å²	150	58.7 Å²	58.7	74%	0.739	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-26.2	176.5	-63.3	-61.8	-66.2	0	0	113.1	D621	D621-M623 PolarHBondContact O-N 3.26Å; D621-M623 PolarHBondContact OD1-N 3.03Å
624	N	89.1	Confident	87.8	Confident	129 Å²	129	64.1 Å²	64.1	69%	0.69	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	-23	-170.2	-72.1	-55.3	0	0	0	113.5	D621	D621-N624 HydrophobicContact CB-CB 4.33Å; D621-N624 PolarHBondContact O-N 3.02Å; D621-N624 PolarHBondContact OD2-ND2 2.86Å
625	E	91.5	Very high	86.1	Confident	55 Å²	55	70.1 Å²	70.1	26%	0.257	38%	0.378	S	S	.	.	S	Bend	trans	-144.1	155.6	-176.9	48.5	169.9	166.1	0	0	113.1	Y618 C620 D621 C627	Y618-E625 VanDerWaalsContact CE1-OE1 3.29Å; Y618-E625 WeakPolarHBondContact CE1-OE1 3.48Å; Y618-E625 PolarHBondContact OH-OE1 3.01Å; C620-E625 WeakPolarHBondContact CA-OE1 3Å; C620-E625 VanDerWaalsContact SG-CG 3.52Å; C620-E625 PolarHBondContact SG-OE1 3.43Å; C620-E625 VanDerWaalsContact SG-OE1 3.36Å; D621-E625 PolarHBondContact N-OE1 3.4Å; D621-E625 VanDerWaalsContact O-CG 3.27Å; D621-E625 WeakPolarHBondContact O-CG 3.47Å; D621-E625 PolarHBondContact O-N 3.1Å; E625-C627 PolarHBondContact O-N 3.47Å
626	K	90.5	Very high	84.1	Confident	201 Å²	201	78.7 Å²	78.7	87%	0.874	42%	0.416	S	S	*	.			trans	-83.8	102.6	176.1	-69.5	-173.1	178	-176.8	0	109.9
627	C	91.4	Very high	82	Confident	9 Å²	9	90 Å²	90	6%	0.061	46%	0.458	C	S	.	.			trans	-72.8	-38.3	-172.4	-60.3	0	0	0	0	115.1	A549 G590 C620 E625 P629	A549-C627 HydrophobicContact CB-CB 3.86Å; G590-C627 CarbonylContact O-C 3.57Å; G590-C627 WeakPolarHBondContact O-CB 3.04Å; C620-C627 VanDerWaalsContact C-SG 3.59Å; C620-C627 HydrophobicContact CB-CB 3.75Å; C620-C627 WeakPolarHBondContact CB-SG 3.46Å; C620-C627 WeakPolarHBondContact SG-CA 3.37Å; C620-C627 WeakPolarHBondContact SG-CB 3.36Å; C620-C627 CovalentContact SG-SG 2.03Å; C620-C627 PolarHBondContact SG-SG 3.17Å; E625-C627 PolarHBondContact O-N 3.47Å; C627-P629 WeakPolarHBondContact O-CD 3.1Å
628	K	91.9	Very high	80.1	Confident	123 Å²	123	93.6 Å²	93.6	54%	0.535	48%	0.483	S	S	.	.	S	Bend	trans	-68.2	116.5	178.6	-174.7	170.9	-175.7	153	0	110.6	G590 E591	G590-K628 PolarHBondContact O-N 3.48Å; E591-K628 VanDerWaalsContact CD-CE 3.41Å; E591-K628 HydrophobicContact CG-CB 4.36Å; E591-K628 HydrophobicContact CG-CD 3.91Å; E591-K628 HydrophobicContact CG-CG 4.06Å; E591-K628 WeakPolarHBondContact OE1-CE 3.05Å; E591-K628 IonicContact OE1-NZ 2.71Å; E591-K628 PolarHBondContact OE1-NZ 2.91Å; E591-K628 WeakPolarHBondContact OE2-CE 3.18Å; E591-K628 IonicContact OE2-NZ 3.02Å; E591-K628 PolarHBondContact OE2-NZ 3.34Å
629	P	89.7	Confident	78.3	Confident	33 Å²	33	93.1 Å²	93.1	21%	0.214	50%	0.503	C	S	.	.			trans	-76.3	142.4	-175.7	30.7	-33.9	0	0	0	112.3	L551 R575 N589 C627	L551-P629 HydrophobicContact CD1-CG 4.4Å; R575-P629 HydrophobicContact CB-CB 3.83Å; R575-P629 HydrophobicContact CB-CG 4.23Å; R575-P629 WeakPolarHBondContact O-CG 3.48Å; N589-P629 WeakPolarHBondContact O-CD 3.4Å; C627-P629 WeakPolarHBondContact O-CD 3.1Å
630	T	87.6	Confident	76.7	Confident	132 Å²	132	94.9 Å²	94.9	81%	0.81	52%	0.516	S	S	*	.			trans	-100	103.1	175.2	53.5	0	0	0	0	110.9	S632	T630-S632 PolarHBondContact O-N 3.46Å
631	C	84.2	Confident	76.3	Confident	50 Å²	50	101.4 Å²	101.4	34%	0.338	56%	0.556	S	S	.	*			trans	-92.9	88.6	-170.7	-57.6	0	0	0	0	113.5	C576 T579	C576-C631 VanDerWaalsContact CA-SG 3.52Å; C576-C631 HydrophobicContact CB-CB 3.78Å; C576-C631 WeakPolarHBondContact CB-SG 3.41Å; C576-C631 WeakPolarHBondContact SG-CA 3.35Å; C576-C631 WeakPolarHBondContact SG-CB 3.19Å; C576-C631 CovalentContact SG-SG 2.04Å; C576-C631 PolarHBondContact SG-SG 2.91Å; T579-C631 HydrophobicContact CG2-CB 4.49Å
632	S	72.8	Confident	76.2	Confident	96 Å²	96	101.7 Å²	101.7	67%	0.671	56%	0.557	S	S	*	*			trans	-72.3	138.6	168.4	-63.5	0	0	0	0	111.2	T630 T634	T630-S632 PolarHBondContact O-N 3.46Å; S632-T634 PolarHBondContact O-N 2.88Å
633	G	62.1	Low	76.3	Confident	60 Å²	60	101.5 Å²	101.5	62%	0.619	55%	0.554	S	S	*	*	S	Bend	trans	-67.3	10.8	-175.4	0	0	0	0	0	117
634	T	60.3	Low	76.5	Confident	114 Å²	114	98.1 Å²	98.1	70%	0.699	54%	0.536	S	S	*	.			trans	-116.2	109.6	179.9	50.4	0	0	0	0	109.6	S632	S632-T634 PolarHBondContact O-N 2.88Å
635	R	60.9	Low	76.6	Confident	127 Å²	127	95.7 Å²	95.7	48%	0.479	53%	0.529	S	S	.	.			trans	-81.8	132.8	-179.6	-70.9	-178.2	170.2	-161.4	-8.3	112.1
636	F	54.9	Low	76.7	Confident	180 Å²	180	96.8 Å²	96.8	79%	0.789	53%	0.531	S	S	*	.			trans	-76.8	126.8	153.8	-78.4	-88.3	0	0	0	108.6	S638	F636-S638 PolarHBondContact O-N 2.73Å
637	R	53.1	Low	77	Confident	255 Å²	255	87.6 Å²	87.6	96%	0.962	49%	0.492	S	S	*	.			trans	-81.6	50.8	172.5	-79.1	-173.8	171.3	-179	-2.4	111.6	G639	R637-G639 PolarHBondContact O-N 2.91Å
638	S	55	Low	77.3	Confident	75 Å²	75	87.2 Å²	87.2	52%	0.524	49%	0.489	S	S	.	.			trans	-79.4	109.3	161.8	48.8	0	0	0	0	107.6	F636 S640	F636-S638 PolarHBondContact O-N 2.73Å; S638-S640 PolarHBondContact O-N 2.04Å
639	G	56.1	Low	77.5	Confident	73 Å²	73	84.9 Å²	84.9	75%	0.753	48%	0.482	S	S	*	.			trans	-66.9	98	172.7	0	0	0	0	0	109.6	R637	R637-G639 PolarHBondContact O-N 2.91Å
640	S	58.9	Low	77.7	Confident	46 Å²	46	83.8 Å²	83.8	32%	0.322	47%	0.474	S	S	.	.			trans	-65.3	136.8	176.3	52.3	0	0	0	0	110.5	N554 D574 S638 I642	N554-S640 PolarHBondContact ND2-OG 2.69Å; D574-S640 WeakPolarHBondContact OD1-CB 3.37Å; D574-S640 PolarHBondContact OD1-OG 3.38Å; S638-S640 PolarHBondContact O-N 2.04Å; S640-I642 PolarHBondContact O-N 2.99Å
641	V	83.5	Confident	77.8	Confident	137 Å²	137	78.4 Å²	78.4	83%	0.83	45%	0.446	S	S	*	.			trans	-76.2	117.7	176.5	178.8	0	0	0	0	107.5	D643	V641-D643 PolarHBondContact O-N 2.03Å
642	I	89.7	Confident	78.2	Confident	25 Å²	25	77.7 Å²	77.7	13%	0.128	44%	0.44	C	S	.	.			trans	-81.9	114.1	-179.7	-56.2	167.7	0	0	0	109.2	N554 Y556 K568 F570 E616 S640 Q644 V647	N554-I642 HydrophobicContact CB-CG1 4.43Å; Y556-I642 HydrophobicContact CD1-CD1 4.31Å; Y556-I642 HydrophobicContact CE1-CD1 3.77Å; Y556-I642 HydrophobicContact CE1-CG2 4.3Å; K568-I642 HydrophobicContact CD-CD1 4.13Å; F570-I642 HydrophobicContact CE1-CD1 4.06Å; F570-I642 HydrophobicContact CZ-CD1 4.06Å; E616-I642 HydrophobicContact CB-CG2 4.15Å; E616-I642 HydrophobicContact CG-CG2 4.25Å; E616-I642 WeakPolarHBondContact OE1-CA 3.05Å; S640-I642 PolarHBondContact O-N 2.99Å; I642-Q644 PolarHBondContact O-N 3.3Å; I642-Q644 VanDerWaalsContact O-N 3.12Å; I642-Q644 PolarHBondContact O-NE2 2.9Å; I642-Q644 VanDerWaalsContact O-NE2 3.09Å; I642-V647 HydrophobicContact CG2-CG2 3.78Å
643	D	91.1	Very high	79.2	Confident	62 Å²	62	73.1 Å²	73.1	33%	0.332	41%	0.409	S	S	.	.			trans	-70.4	101.9	174.9	-179.9	-2.3	0	0	0	109.9	E616 V641 S645 R646	E616-D643 PolarHBondContact OE1-N 2.95Å; V641-D643 PolarHBondContact O-N 2.03Å; D643-S645 VanDerWaalsContact CG-OG 3.23Å; D643-S645 PolarHBondContact O-N 3Å; D643-S645 VanDerWaalsContact O-N 3.13Å; D643-S645 VanDerWaalsContact OD1-CB 3.3Å; D643-S645 WeakPolarHBondContact OD1-CB 3.37Å; D643-S645 PolarHBondContact OD1-N 2.67Å; D643-S645 PolarHBondContact OD1-OG 3.03Å; D643-S645 PolarHBondContact OD2-OG 3.37Å; D643-R646 HydrophobicContact CB-CB 4.34Å; D643-R646 HydrophobicContact CB-CG 4.33Å; D643-R646 WeakPolarHBondContact O-CB 3.03Å; D643-R646 PolarHBondContact O-N 2.86Å; D643-R646 VanDerWaalsContact OD2-CD 3.23Å; D643-R646 WeakPolarHBondContact OD2-CD 3.48Å; D643-R646 WeakPolarHBondContact OD2-CG 3.45Å; D643-R646 IonicContact OD2-NE 3.57Å; D643-R646 PolarHBondContact OD2-NE 3.25Å
644	Q	92.3	Very high	80.6	Confident	79 Å²	79	71.4 Å²	71.4	37%	0.369	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-61.9	-20.9	-178.8	-58.7	-56.2	-64.6	0	0	113.2	T564 I642 R646	T564-Q644 HydrophobicContact CG2-CG 4.09Å; I642-Q644 PolarHBondContact O-N 3.3Å; I642-Q644 VanDerWaalsContact O-N 3.12Å; I642-Q644 PolarHBondContact O-NE2 2.9Å; I642-Q644 VanDerWaalsContact O-NE2 3.09Å; Q644-R646 PolarHBondContact O-N 2.73Å
645	S	91.3	Very high	81.8	Confident	78 Å²	78	70.3 Å²	70.3	55%	0.545	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-71.4	-11.4	173.5	77.4	0	0	0	0	113.1	L495 D643	L495-S645 WeakPolarHBondContact CD1-O 3.4Å; L495-S645 WeakPolarHBondContact CD2-O 3.48Å; D643-S645 VanDerWaalsContact CG-OG 3.23Å; D643-S645 PolarHBondContact O-N 3Å; D643-S645 VanDerWaalsContact O-N 3.13Å; D643-S645 VanDerWaalsContact OD1-CB 3.3Å; D643-S645 WeakPolarHBondContact OD1-CB 3.37Å; D643-S645 PolarHBondContact OD1-N 2.67Å; D643-S645 PolarHBondContact OD1-OG 3.03Å; D643-S645 PolarHBondContact OD2-OG 3.37Å
646	R	93.7	Very high	82.8	Confident	77 Å²	77	71.8 Å²	71.8	29%	0.291	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-110.4	7.7	-178.6	-66.3	-178.6	-172.9	-85.9	-3.6	114.2	E616 V617 D643 Q644	E616-R646 WeakPolarHBondContact CA-O 3.32Å; E616-R646 HydrophobicContact CG-CB 4.07Å; V617-R646 WeakPolarHBondContact CG2-O 3.49Å; V617-R646 PolarHBondContact N-O 2.87Å; D643-R646 HydrophobicContact CB-CB 4.34Å; D643-R646 HydrophobicContact CB-CG 4.33Å; D643-R646 WeakPolarHBondContact O-CB 3.03Å; D643-R646 PolarHBondContact O-N 2.86Å; D643-R646 VanDerWaalsContact OD2-CD 3.23Å; D643-R646 WeakPolarHBondContact OD2-CD 3.48Å; D643-R646 WeakPolarHBondContact OD2-CG 3.45Å; D643-R646 IonicContact OD2-NE 3.57Å; D643-R646 PolarHBondContact OD2-NE 3.25Å; Q644-R646 PolarHBondContact O-N 2.73Å
647	V	96.4	Very high	83.4	Confident	9 Å²	9	67.1 Å²	67.1	6%	0.055	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	121.7	-176.1	-175.8	0	0	0	0	111.9	A563 H614 C615 E616 I642 N649	A563-V647 HydrophobicContact CB-CG1 4.27Å; H614-V647 HydrophobicContact CB-CG1 3.9Å; C615-V647 WeakPolarHBondContact O-CA 3.37Å; E616-V647 HydrophobicContact CB-CG2 4.21Å; I642-V647 HydrophobicContact CG2-CG2 3.78Å; V647-N649 WeakPolarHBondContact CG1-OD1 3.46Å; V647-N649 PolarHBondContact O-ND2 3.07Å; V647-N649 VanDerWaalsContact O-ND2 3.17Å
648	L	96.8	Very high	83.7	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	138.5	166.1	-70	155	0	0	0	109.6	L495 V507 M509 H614 C615 V617	L495-L648 HydrophobicContact CB-CD2 3.63Å; L495-L648 HydrophobicContact CB-CG 4.18Å; V507-L648 HydrophobicContact CB-CD1 4.09Å; V507-L648 HydrophobicContact CG1-CD1 3.64Å; M509-L648 HydrophobicContact CB-CB 4Å; M509-L648 HydrophobicContact CB-CD1 4.02Å; M509-L648 HydrophobicContact CB-CG 4.41Å; M509-L648 HydrophobicContact CE-CB 3.9Å; M509-L648 WeakPolarHBondContact CE-O 3.07Å; M509-L648 HydrophobicContact SD-CB 4.28Å; H614-L648 CarbonylContact C-O 3.43Å; H614-L648 WeakPolarHBondContact CA-O 3.33Å; C615-L648 PolarHBondContact N-O 3.06Å; C615-L648 PolarHBondContact O-N 2.83Å; V617-L648 HydrophobicContact CG1-CD1 3.91Å; V617-L648 HydrophobicContact CG2-CD1 3.9Å
649	N	96.2	Very high	83	Confident	73 Å²	73	64.3 Å²	64.3	39%	0.39	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	127.2	-169.7	-50.8	-72.6	0	0	0	110.7	S493 L613 H614 V647	S493-N649 WeakPolarHBondContact CB-O 3.49Å; S493-N649 PolarHBondContact OG-N 3.08Å; S493-N649 PolarHBondContact OG-O 3.41Å; L613-N649 WeakPolarHBondContact O-CA 3.04Å; H614-N649 PolarHBondContact CE1-OD1 3.37Å; H614-N649 PolarHBondContact ND1-OD1 2.04Å; V647-N649 WeakPolarHBondContact CG1-OD1 3.46Å; V647-N649 PolarHBondContact O-ND2 3.07Å; V647-N649 VanDerWaalsContact O-ND2 3.17Å
650	L	94.4	Very high	82.3	Confident	10 Å²	10	64.3 Å²	64.3	5%	0.052	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	138	177.1	-75.3	176.8	0	0	0	112.8	M491 M509 L511 L613	M491-L650 HydrophobicContact CG-CD2 4.29Å; M509-L650 HydrophobicContact CB-CD1 4.21Å; M509-L650 HydrophobicContact CE-CB 3.99Å; M509-L650 HydrophobicContact CE-CD1 3.73Å; M509-L650 HydrophobicContact CE-CG 3.7Å; M509-L650 HydrophobicContact CG-CD1 3.75Å; M509-L650 HydrophobicContact SD-CD1 4.44Å; L511-L650 HydrophobicContact CD1-CD1 4.46Å; L511-L650 HydrophobicContact CD2-CD1 3.92Å; L511-L650 HydrophobicContact CG-CD1 3.83Å; L613-L650 PolarHBondContact N-O 2.83Å; L613-L650 PolarHBondContact O-N 2.87Å
651	G	90	Very high	81.3	Confident	20 Å²	20	68.6 Å²	68.6	21%	0.206	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156	179.4	174.6	0	0	0	0	0	110.1	M491	M491-G651 VanDerWaalsContact CE-C 3.44Å; M491-G651 VanDerWaalsContact CE-O 3.24Å; M491-G651 WeakPolarHBondContact CE-O 3.27Å
652	P	93.3	Very high	79.2	Confident	35 Å²	35	68.4 Å²	68.4	23%	0.227	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	cis	-67.9	142.6	2.8	25.6	-36.6	0	0	0	114.9	S524 S525 V526 L610 Y612 T654	S524-P652 WeakPolarHBondContact O-CD 3.5Å; S525-P652 WeakPolarHBondContact CA-O 3.43Å; V526-P652 PolarHBondContact N-O 3.25Å; L610-P652 HydrophobicContact CD1-CB 3.23Å; Y612-P652 HydrophobicContact CE1-CB 4.17Å; P652-T654 HydrophobicContact CB-CG2 4.36Å
653	I	93.3	Very high	76.5	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	119.5	165.9	-58	159.6	0	0	0	107	L511 V526 L528 L534 M601 F602 L610 V611 L613	L511-I653 HydrophobicContact CD1-CD1 4.3Å; L511-I653 HydrophobicContact CD1-CG1 4.21Å; V526-I653 HydrophobicContact CB-CG1 4.46Å; L528-I653 HydrophobicContact CD1-CG2 3.72Å; L528-I653 HydrophobicContact CG-CG2 4.22Å; L534-I653 HydrophobicContact CD2-CD1 3.67Å; M601-I653 HydrophobicContact CE-CD1 4.18Å; M601-I653 HydrophobicContact CG-CG2 4.39Å; F602-I653 HydrophobicContact CE2-CG2 4.16Å; F602-I653 HydrophobicContact CZ-CG2 4.23Å; L610-I653 WeakPolarHBondContact CA-O 3.44Å; V611-I653 HydrophobicContact CG2-CB 4.08Å; V611-I653 HydrophobicContact CG2-CG2 4.42Å; V611-I653 PolarHBondContact N-O 3.24Å; V611-I653 PolarHBondContact O-N 3.36Å; L613-I653 HydrophobicContact CB-CD1 3.97Å
654	T	90.9	Very high	73.6	Confident	23 Å²	23	81.2 Å²	81.2	14%	0.141	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	150.5	-169.2	56.3	0	0	0	0	112.4	V526 T527 L528 F602 D609 L610 P652	V526-T654 PolarHBondContact O-N 3.46Å; V526-T654 PolarHBondContact O-OG1 2.88Å; T527-T654 CarbonylContact C-O 3.57Å; T527-T654 VanDerWaalsContact CA-O 3.28Å; T527-T654 WeakPolarHBondContact CA-O 3.45Å; T527-T654 PolarHBondContact OG1-OG1 2.94Å; L528-T654 PolarHBondContact N-O 2.86Å; F602-T654 VanDerWaalsContact CE2-C 3.45Å; F602-T654 VanDerWaalsContact CE2-O 3.3Å; F602-T654 WeakPolarHBondContact CE2-O 3.5Å; D609-T654 CarbonylContact O-C 3.57Å; D609-T654 WeakPolarHBondContact O-CA 3.18Å; L610-T654 HydrophobicContact CD1-CG2 3.95Å; P652-T654 HydrophobicContact CB-CG2 4.36Å
655	R	86.7	Confident	70.6	Confident	91 Å²	91	82 Å²	82	34%	0.343	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	130	174.9	-169	-173.8	-179.9	175.7	1.1	110.9	L528 F602 D609 G657 V658	L528-R655 CarbonylContact O-C 3.55Å; L528-R655 WeakPolarHBondContact O-CA 3.07Å; F602-R655 HydrophobicContact CD1-CB 4.2Å; F602-R655 HydrophobicContact CD2-CB 4.21Å; F602-R655 HydrophobicContact CD2-CG 4.35Å; F602-R655 HydrophobicContact CE1-CB 4.04Å; F602-R655 HydrophobicContact CE2-CB 4.05Å; F602-R655 HydrophobicContact CG-CB 4.29Å; F602-R655 HydrophobicContact CG-CG 4.32Å; F602-R655 HydrophobicContact CZ-CB 3.98Å; F602-R655 VanDerWaalsContact CZ-N 3.31Å; D609-R655 HydrophobicContact CB-CB 4.09Å; D609-R655 PolarHBondContact O-N 2.72Å; D609-R655 WeakPolarHBondContact OD1-CD 3.37Å; D609-R655 IonicContact OD1-CZ 3.86Å; D609-R655 IonicContact OD1-NE 3.88Å; D609-R655 IonicContact OD1-NH1 3Å; D609-R655 PolarHBondContact OD1-NH1 2.67Å; R655-G657 PolarHBondContact O-N 3.14Å; R655-G657 VanDerWaalsContact O-N 3.11Å; R655-V658 PolarHBondContact O-N 3.14Å
656	K	81.9	Confident	67.8	Low	159 Å²	159	88.4 Å²	88.4	69%	0.691	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	111.6	176.2	-164.9	174	-177.8	176.7	0	109.7	T527 L528	T527-K656 HydrophobicContact CG2-CB 3.72Å; T527-K656 HydrophobicContact CG2-CG 4.07Å; L528-K656 WeakPolarHBondContact O-CB 3.32Å; L528-K656 PolarHBondContact O-N 2.71Å
657	G	67.7	Low	64.7	Low	82 Å²	82	90.2 Å²	90.2	85%	0.845	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	127.3	-8.1	-179.7	0	0	0	0	0	115.2	R655	R655-G657 PolarHBondContact O-N 3.14Å; R655-G657 VanDerWaalsContact O-N 3.11Å
658	V	57.8	Low	61.6	Low	82 Å²	82	95.4 Å²	95.4	50%	0.497	55%	0.552	S	S	.	*			trans	-116.6	129.7	178.6	-176.4	0	0	0	0	110.6	D609 R655	D609-V658 HydrophobicContact CB-CB 4.18Å; D609-V658 HydrophobicContact CB-CG1 4.28Å; D609-V658 HydrophobicContact CB-CG2 3.98Å; R655-V658 PolarHBondContact O-N 3.14Å
659	Q	41	Very low	58.5	Low	188 Å²	188	103.8 Å²	103.8	88%	0.879	60%	0.595	S	S	*	*			trans	-89.8	108.2	-178.2	-163.8	173.1	11.6	0	0	109.5	T661	Q659-T661 PolarHBondContact O-N 2.67Å
660	A	42	Very low	55.4	Low	73 Å²	73	103.7 Å²	103.7	60%	0.603	61%	0.612	S	S	*	*			trans	-71.1	112.7	-173	0	0	0	0	0	112.8	V662	A660-V662 PolarHBondContact O-N 3.12Å
661	T	38.3	Very low	52.5	Low	137 Å²	137	111.1 Å²	111.1	84%	0.84	65%	0.651	S	S	*	*			trans	-75.3	108.7	167.8	38.7	0	0	0	0	110.9	Q659 S663	Q659-T661 PolarHBondContact O-N 2.67Å; T661-S663 PolarHBondContact O-N 3.08Å
662	V	38	Very low	49.6	Very low	132 Å²	132	118.7 Å²	118.7	80%	0.8	69%	0.686	S	S	*	*			trans	-82.6	112	173.1	179.6	0	0	0	0	110	A660 R664	A660-V662 PolarHBondContact O-N 3.12Å; V662-R664 PolarHBondContact O-N 3.18Å
663	S	32.8	Very low	46.7	Very low	114 Å²	114	125.3 Å²	125.3	80%	0.797	71%	0.711	S	S	*	*			trans	-68	114.1	174.9	-57.5	0	0	0	0	111.3	T661 A665	T661-S663 PolarHBondContact O-N 3.08Å; S663-A665 PolarHBondContact O-N 3.2Å
664	R	31.6	Very low	43.8	Very low	243 Å²	243	130.5 Å²	130.5	92%	0.917	74%	0.743	S	S	*	*			trans	-73.4	112.8	169.7	-86	-178.3	171	162.4	-2.6	110.4	V662	V662-R664 PolarHBondContact O-N 3.18Å
665	A	29.2	Very low	40.8	Very low	96 Å²	96	140.3 Å²	140.3	79%	0.793	78%	0.777	S	S	*	*			trans	-75.8	135.5	161.6	0	0	0	0	0	110.1	S663	S663-A665 PolarHBondContact O-N 3.2Å
666	F	31.7	Very low	38.1	Very low	212 Å²	212	143.7 Å²	143.7	93%	0.93	80%	0.801	S	S	*	*			trans	-70.7	136.8	171.6	-100.4	-110.3	0	0	0	110.6
667	S	29.3	Very low	36.4	Very low	114 Å²	114	140.5 Å²	140.5	80%	0.797	80%	0.796	S	S	*	*			trans	-138.3	139.6	153.7	61.4	0	0	0	0	110.1
668	S	31.7	Very low	34.6	Very low	119 Å²	119	143.7 Å²	143.7	83%	0.832	79%	0.793	S	S	*	*			trans	-79.5	134.9	-170.3	52.1	0	0	0	0	112.5
669	L	31.1	Very low	33.3	Very low	176 Å²	176	147.3 Å²	147.3	92%	0.921	81%	0.809	S	S	*	*			trans	-119.6	120.2	163.3	-96.5	154.9	0	0	0	109.6
670	G	30.2	Very low	32.8	Very low	72 Å²	72	145.9 Å²	145.9	74%	0.742	81%	0.807	S	S	*	*			trans	-72.4	160.7	179.6	0	0	0	0	0	112.7
671	L	34.2	Very low	32.3	Very low	166 Å²	166	148.1 Å²	148.1	87%	0.869	82%	0.818	S	S	*	*			trans	-66.3	133.3	179.9	-63.9	115.9	0	0	0	112.3
672	L	29.6	Very low	32	Very low	179 Å²	179	146.2 Å²	146.2	94%	0.937	82%	0.816	S	S	*	*			trans	-149.7	155.4	136.5	-109.8	157.6	0	0	0	109.2
673	K	31.9	Very low	31.9	Very low	174 Å²	174	146.2 Å²	146.2	76%	0.757	82%	0.817	S	S	*	*			trans	-142	152.2	-141.1	-155.4	-169.7	-174	-177.8	0	111.7
674	V	32.2	Very low	31.9	Very low	109 Å²	109	148.1 Å²	148.1	66%	0.661	82%	0.817	S	S	*	*			trans	84	141.2	159.9	-151.1	0	0	0	0	118.5
675	W	28.6	Very low	32	Very low	229 Å²	229	142.1 Å²	142.1	87%	0.867	81%	0.807	S	S	*	*			trans	109.4	78.2	158.3	-63.9	92.8	0	0	0	118.5
676	L	29.8	Very low	32.2	Very low	161 Å²	161	145.4 Å²	145.4	84%	0.843	81%	0.811	S	S	*	*			trans	-96.4	163.6	131.2	-109.5	89.7	0	0	0	107.3
677	P	45.6	Very low	32.4	Very low	92 Å²	92	140.4 Å²	140.4	60%	0.597	80%	0.798	S	S	*	*			cis	-149.5	-159.6	43.2	39.9	-16.6	0	0	0	116.2
678	L	30.2	Very low	32.7	Very low	149 Å²	149	144.4 Å²	144.4	78%	0.78	80%	0.801	S	S	*	*			trans	85	137.6	167.9	-63.1	142.9	0	0	0	115.5
679	L	30.3	Very low	32.9	Very low	159 Å²	159	151 Å²	151	83%	0.832	82%	0.819	S	S	*	*			cis	-129.2	161.7	10.1	-89.5	103.9	0	0	0	114.7
680	L	31.2	Very low	33	Very low	158 Å²	158	149.8 Å²	149.8	83%	0.827	81%	0.814	S	S	*	*			trans	-95.4	170.8	164.3	-127.4	85.6	0	0	0	110.9
681	S	31.3	Very low	33.1	Very low	120 Å²	120	153.9 Å²	153.9	84%	0.839	82%	0.818	S	S	*	*			trans	75.1	150.7	169.1	80.7	0	0	0	0	116.4
682	A	31.3	Very low	33.1	Very low	96 Å²	96	153.2 Å²	153.2	79%	0.793	82%	0.815	S	S	*	*			cis	-143.2	160.7	9.1	0	0	0	0	0	112.9
683	T	35.3	Very low	33.3	Very low	133 Å²	133	151.7 Å²	151.7	82%	0.816	81%	0.808	S	S	*	*			trans	-120.5	155.4	164	42.3	0	0	0	0	110.6
684	L	32.9	Very low	33.4	Very low	153 Å²	153	150.3 Å²	150.3	80%	0.801	81%	0.811	S	S	*	*			trans	70.4	105.4	163	-110.5	79	0	0	0	118.6
685	T	34.5	Very low	33.4	Very low	117 Å²	117	153.1 Å²	153.1	72%	0.718	82%	0.821	S	S	*	*				160.9	133.5	96	40.7	0	0	0	0	111.5
686	L	32.5	Very low	33.8	Very low	166 Å²	166	147.6 Å²	147.6	87%	0.869	82%	0.818	S	S	*	*				175.1	156.3	114.4	-95.3	161.8	0	0	0	112
687	T	37.7	Very low	34.1	Very low	106 Å²	106	146.6 Å²	146.6	65%	0.65	82%	0.816	S	S	*	*			trans	-111.1	171.4	-172.4	45.9	0	0	0	0	112.1
688	F	33.6	Very low	33.1	Very low	198 Å²	198	151.2 Å²	151.2	87%	0.868	83%	0.834	S	S	*	*			trans	73.6	134.3	-177.6	-54.8	-85.1	0	0	0	112.8
689	Q	36.8	Very low	33.4	Very low	259 Å²	259	151.4 Å²	151.4	100%	1.21	84%	0.839	S	S	*	*			cis	-141.1	0	32.9	-171	167.8	-14.2	0	0	113.2

Retrieved 689 of 689 residues in 155 ms (Link to these results)

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