A0A2K6DD94_MACNE Loading...

Hepatocyte growth factor

Potent mitogen for mature parenchymal hepatocyte cells, seems to be a hepatotrophic factor, and acts as a growth factor for a broad spectrum of tissues and cell types. Activating ligand for the receptor tyrosine kinase MET by binding to it and promoting its dimerization. Activates MAPK signaling following TMPRSS13 cleavage and activation.

AlphaFold DB , UniProt , Accession A0A2K6DD94, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene HGF, Length 788 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.8	Very low	27.9	Very low	244 Å²	244	141.8 Å²	141.8	100%	1.202	79%	0.793	S	S	*	*				0	155.3	0	-79.6	154.2	60.8	0	0	108.9
2	V	32.3	Very low	27.7	Very low	126 Å²	126	136.1 Å²	136.1	76%	0.764	79%	0.789	S	S	*	*			trans	-107.3	139.4	165.7	173.8	0	0	0	0	107.2
3	L	26.1	Very low	27.7	Very low	167 Å²	167	138.8 Å²	138.8	87%	0.874	80%	0.798	S	S	*	*			trans	170.5	147.1	150.9	-109.9	87.6	0	0	0	104.8
4	C	25.1	Very low	27.6	Very low	89 Å²	89	136.2 Å²	136.2	60%	0.601	79%	0.792	S	S	*	*			cis	138.7	129.5	-14.3	-91	0	0	0	0	107.9
5	L	28.1	Very low	27.6	Very low	162 Å²	162	138.5 Å²	138.5	85%	0.848	80%	0.798	S	S	*	*			trans	66.9	153.6	158.6	-55.2	166.4	0	0	0	115.6
6	C	26.2	Very low	27.7	Very low	98 Å²	98	135.1 Å²	135.1	66%	0.662	79%	0.792	S	S	*	*			cis	-134.7	148.8	-14.5	-104	0	0	0	0	106.6
7	L	27.2	Very low	28.3	Very low	134 Å²	134	134.2 Å²	134.2	70%	0.702	79%	0.791	S	S	*	*				70.2	107.3	58.4	-155.2	171.2	0	0	0	112.3	L9	L7-L9 HydrophobicContact CD2-CD1 3.73Å
8	D	26.5	Very low	28.7	Very low	156 Å²	156	133.4 Å²	133.4	83%	0.834	79%	0.791	S	S	*	*			trans	-154.1	161.1	149.4	-128.6	-32.3	0	0	0	111.9
9	L	27.8	Very low	28.5	Very low	141 Å²	141	133.5 Å²	133.5	74%	0.738	80%	0.797	S	S	*	*			trans	-99.3	-177.3	-173.5	-74.1	79.8	0	0	0	110.8	L7	L7-L9 HydrophobicContact CD2-CD1 3.73Å
10	A	28.3	Very low	28.6	Very low	79 Å²	79	135.1 Å²	135.1	65%	0.653	80%	0.8	S	S	*	*			cis	-162.2	157.9	20.8	0	0	0	0	0	115.2
11	I	29.1	Very low	28.5	Very low	164 Å²	164	134 Å²	134	84%	0.841	80%	0.796	S	S	*	*			trans	37.3	110.6	134.8	-55.1	165.2	0	0	0	117
12	G	26.3	Very low	28.4	Very low	73 Å²	73	133 Å²	133	75%	0.753	78%	0.778	S	S	*	*				136.5	167.9	82.4	0	0	0	0	0	109.2
13	L	26.8	Very low	28.3	Very low	172 Å²	172	134.1 Å²	134.1	90%	0.901	78%	0.778	S	S	*	*			cis	-147.8	167.8	8.9	-125.6	163.2	0	0	0	109
14	S	27.3	Very low	28.3	Very low	102 Å²	102	129.5 Å²	129.5	71%	0.713	77%	0.771	S	S	*	*			trans	-85.2	148.9	178.6	-179.1	0	0	0	0	112.5
15	L	26.3	Very low	28.4	Very low	170 Å²	170	130.3 Å²	130.3	89%	0.89	78%	0.784	S	S	*	*			trans	-173.8	150.9	133.8	-101.1	164.7	0	0	0	112.6
16	A	29.5	Very low	28.4	Very low	85 Å²	85	129.9 Å²	129.9	70%	0.702	79%	0.788	S	S	*	*			trans	-142.7	176.7	171.4	0	0	0	0	0	107.4
17	P	37.6	Very low	28.5	Very low	119 Å²	119	128.7 Å²	128.7	77%	0.773	79%	0.793	S	S	*	*			cis	-127.9	-158.1	-2	43.6	-27.5	0	0	0	111.6
18	P	37	Very low	28.5	Very low	121 Å²	121	130 Å²	130	79%	0.786	80%	0.799	S	S	*	*			trans	-129.6	132.7	152.1	35.8	-23.1	0	0	0	113.8
19	C	25	Very low	28.4	Very low	134 Å²	134	134.1 Å²	134.1	91%	0.905	80%	0.803	S	S	*	*			trans	-145.5	144.3	156	-102.4	0	0	0	0	109
20	L	28.9	Very low	28.2	Very low	165 Å²	165	132.2 Å²	132.2	86%	0.864	80%	0.802	S	S	*	*			trans	-90.9	128.7	-168.2	-78.1	155.6	0	0	0	113.3
21	T	28.2	Very low	28	Very low	114 Å²	114	133 Å²	133	70%	0.699	80%	0.802	S	S	*	*			trans	-3.9	143.7	132.4	41.7	0	0	0	0	117.9
22	R	26.8	Very low	27.9	Very low	221 Å²	221	129.9 Å²	129.9	83%	0.834	80%	0.795	S	S	*	*			cis	-176.1	164.9	-3.1	-160.2	-173.8	-172.8	-175.6	2.7	109.1
23	I	29.2	Very low	27.8	Very low	150 Å²	150	135.4 Å²	135.4	77%	0.769	80%	0.799	S	S	*	*			trans	71.3	135.5	165.9	-45.1	174.6	0	0	0	114.5
24	G	26.8	Very low	27.7	Very low	70 Å²	70	133.8 Å²	133.8	72%	0.722	79%	0.787	S	S	*	*			cis	134.5	97.7	-10.2	0	0	0	0	0	114.3
25	A	27.9	Very low	27.7	Very low	106 Å²	106	134.4 Å²	134.4	88%	0.876	78%	0.781	S	S	*	*			trans	-155	142.5	167	0	0	0	0	0	110.9
26	T	28.6	Very low	27.6	Very low	153 Å²	153	134.9 Å²	134.9	94%	0.939	78%	0.778	S	S	*	*			trans	-120.2	133	170.9	42	0	0	0	0	109.1
27	G	26.7	Very low	27.5	Very low	74 Å²	74	135.2 Å²	135.2	76%	0.763	78%	0.781	S	S	*	*			trans	-173.7	76.2	-171.8	0	0	0	0	0	115.5
28	I	27.8	Very low	26.9	Very low	160 Å²	160	132.7 Å²	132.7	82%	0.821	78%	0.777	S	S	*	*			trans	43	115.1	144.2	-56.9	176.4	0	0	0	119
29	W	24.3	Very low	26.4	Very low	243 Å²	243	133.8 Å²	133.8	92%	0.92	78%	0.775	S	S	*	*			trans	24.3	124.8	143.9	-74	41.4	0	0	0	119.7
30	S	23.6	Very low	26.5	Very low	102 Å²	102	138 Å²	138	71%	0.713	77%	0.772	S	S	*	*				168.4	155.1	88.9	52.1	0	0	0	0	114.7
31	S	24.7	Very low	27.3	Very low	94 Å²	94	136 Å²	136	66%	0.657	77%	0.769	S	S	*	*			trans	38.6	116.9	146.8	58.8	0	0	0	0	122.5
32	S	26.1	Very low	27.3	Very low	100 Å²	100	134.1 Å²	134.1	70%	0.699	77%	0.773	S	S	*	*				83	127.2	117.6	-63.1	0	0	0	0	121.9
33	F	24.5	Very low	27.4	Very low	188 Å²	188	130.8 Å²	130.8	83%	0.825	77%	0.771	S	S	*	*			trans	59	150.8	144	-78.6	-113.5	0	0	0	118.6
34	Q	25.7	Very low	27.4	Very low	139 Å²	139	129.8 Å²	129.8	65%	0.65	77%	0.767	S	S	*	*			cis	170.5	164.8	-25.1	-141.6	-169.3	-14.1	0	0	104.3
35	I	25.8	Very low	27.4	Very low	114 Å²	114	134.3 Å²	134.3	59%	0.585	77%	0.767	S	S	*	*			trans	69.6	109.4	148.9	-75.1	168.8	0	0	0	118.3
36	E	25	Very low	27.4	Very low	180 Å²	180	137.8 Å²	137.8	84%	0.841	76%	0.763	S	S	*	*			trans	62.3	171.5	130.9	-61.9	-175.5	167.4	0	0	120.6
37	A	26.3	Very low	27.3	Very low	92 Å²	92	134.9 Å²	134.9	76%	0.76	75%	0.754	S	S	*	*			cis	-163.7	166.3	-44.4	0	0	0	0	0	109
38	G	25.3	Very low	27.4	Very low	66 Å²	66	136.8 Å²	136.8	68%	0.68	76%	0.755	S	S	*	*			trans	87	163.4	161.2	0	0	0	0	0	117.3
39	L	26.6	Very low	28.9	Very low	145 Å²	145	134.7 Å²	134.7	76%	0.759	75%	0.752	S	S	*	*			cis	178.7	130.4	-32.5	-111.6	161.5	0	0	0	107.3
40	R	28.5	Very low	30.2	Very low	222 Å²	222	129.2 Å²	129.2	84%	0.838	75%	0.748	S	S	*	*			trans	67.5	170.6	152.6	-73.6	175.4	-169	-143.4	6.8	118.6
41	P	45.4	Very low	30.8	Very low	123 Å²	123	133.8 Å²	133.8	80%	0.799	76%	0.758	S	S	*	*			cis	-137.4	163.8	-35.7	34.2	-18	0	0	0	115.7
42	G	27.8	Very low	31.1	Very low	75 Å²	75	133 Å²	133	77%	0.773	76%	0.764	S	S	*	*			trans	89.3	163.1	144	0	0	0	0	0	118.4
43	D	29.6	Very low	31.3	Very low	151 Å²	151	134.1 Å²	134.1	81%	0.807	77%	0.772	S	S	*	*			cis	-164.7	171.3	-20.2	-147.1	-23.7	0	0	0	111
44	L	28.5	Very low	31.5	Very low	128 Å²	128	130 Å²	130	67%	0.67	77%	0.773	S	S	*	*			trans	75.3	105.3	158.6	-56.5	163.3	0	0	0	122
45	F	27.6	Very low	31.7	Very low	165 Å²	165	128.7 Å²	128.7	72%	0.724	78%	0.78	S	S	*	*				92.3	129.4	121.4	-83.9	-47.9	0	0	0	127.5
46	F	27	Very low	32.7	Very low	180 Å²	180	128.5 Å²	128.5	79%	0.789	79%	0.785	S	S	*	*			trans	90.1	126.2	134.7	-86.9	-58	0	0	0	125.9
47	A	25.8	Very low	32.9	Very low	91 Å²	91	125.4 Å²	125.4	75%	0.752	78%	0.784	S	S	*	*			trans	96.8	148.9	137.4	0	0	0	0	0	123.2
48	S	29.8	Very low	33	Very low	114 Å²	114	126.1 Å²	126.1	80%	0.797	78%	0.783	S	S	*	*			trans	-156.6	-173.4	175.6	-32.5	0	0	0	0	107.4
49	P	58.3	Low	33	Very low	116 Å²	116	127.2 Å²	127.2	75%	0.753	78%	0.781	S	S	*	*			cis	-117.3	-152.7	-29.9	34.5	-13.1	0	0	0	110.5
50	P	53.1	Low	33.2	Very low	128 Å²	128	126.1 Å²	126.1	83%	0.831	78%	0.78	S	S	*	*				-155.2	-158.9	93.9	41.2	-19.4	0	0	0	116.3
51	E	35.6	Very low	33.3	Very low	198 Å²	198	122.2 Å²	122.2	93%	0.925	77%	0.773	S	S	*	*			trans	-131.2	168.3	-163.9	-51.7	179	116.4	0	0	117.4
52	G	29.9	Very low	32.5	Very low	77 Å²	77	127 Å²	127	79%	0.794	78%	0.775	S	S	*	*			trans	103.9	166.9	147.6	0	0	0	0	0	119.5
53	S	30.4	Very low	32.5	Very low	124 Å²	124	129.6 Å²	129.6	87%	0.867	78%	0.776	S	S	*	*			cis	-169.9	172.2	-32.2	65	0	0	0	0	113
54	A	29.3	Very low	32.7	Very low	101 Å²	101	127.2 Å²	127.2	84%	0.835	77%	0.767	S	S	*	*			trans	85.2	170.2	161.3	0	0	0	0	0	123.4
55	S	29.1	Very low	32.9	Very low	113 Å²	113	129.8 Å²	129.8	79%	0.79	77%	0.773	S	S	*	*			trans	-151.7	-160	-165.8	68.7	0	0	0	0	111.2
56	P	48.5	Very low	33.1	Very low	109 Å²	109	128.2 Å²	128.2	71%	0.708	77%	0.771	S	S	*	*			cis	-147.6	-159.2	19.1	46.2	-23.7	0	0	0	118.2
57	S	28.6	Very low	33.2	Very low	116 Å²	116	126.9 Å²	126.9	81%	0.811	77%	0.771	S	S	*	*			trans	77	157.1	153.8	75.5	0	0	0	0	121.5
58	S	27.3	Very low	34.2	Very low	106 Å²	106	127.8 Å²	127.8	74%	0.741	77%	0.77	S	S	*	*			cis	-170.8	163.3	-28	-176.4	0	0	0	0	112.9
59	S	27	Very low	34.1	Very low	90 Å²	90	126.6 Å²	126.6	63%	0.629	77%	0.766	S	S	*	*			trans	91.4	117.5	146.5	-57.1	0	0	0	0	124.4
60	T	30	Very low	32.8	Very low	122 Å²	122	129.2 Å²	129.2	75%	0.748	77%	0.773	S	S	*	*				66.7	153.5	129.4	62.1	0	0	0	0	123.4
61	M	29.8	Very low	31.8	Very low	140 Å²	140	130.4 Å²	130.4	69%	0.69	77%	0.772	S	S	*	*			cis	-169.2	138.6	-19.3	-106.6	173.7	61.8	0	0	114.4
62	W	30.1	Very low	32.1	Very low	223 Å²	223	129 Å²	129	85%	0.845	77%	0.77	S	S	*	*			trans	78.6	164.4	135	-80.6	40.3	0	0	0	125.8
63	V	28.1	Very low	32.7	Very low	129 Å²	129	133.8 Å²	133.8	78%	0.782	77%	0.772	S	S	*	*			trans	107.3	131.1	167.4	178	0	0	0	0	115.5
64	T	33.6	Very low	33.1	Very low	101 Å²	101	135.7 Å²	135.7	62%	0.62	77%	0.767	S	S	*	*			cis	-162.7	154.2	-32.4	38	0	0	0	0	112
65	K	33	Very low	33.8	Very low	182 Å²	182	136.9 Å²	136.9	79%	0.791	76%	0.763	S	S	*	*			trans	31.4	148.6	136.3	-59.1	179.7	175.3	-179.6	0	121.7
66	L	31.1	Very low	34.4	Very low	133 Å²	133	139.3 Å²	139.3	70%	0.696	77%	0.766	S	S	*	*			cis	-172.1	136.7	-4.5	-105.7	168.2	0	0	0	110.9
67	L	29.3	Very low	34	Very low	151 Å²	151	141.4 Å²	141.4	79%	0.791	77%	0.771	S	S	*	*			trans	41.3	167.6	139.9	-75.7	-175.1	0	0	0	124
68	P	46.5	Very low	34.3	Very low	111 Å²	111	144.5 Å²	144.5	72%	0.721	77%	0.772	S	S	*	*			cis	-138	-178.9	-17.3	37	-17	0	0	0	117.2
69	A	27.9	Very low	34.9	Very low	88 Å²	88	147 Å²	147	73%	0.727	78%	0.776	S	S	*	*			trans	68.7	104.9	141.4	0	0	0	0	0	123.1
70	L	30.3	Very low	35.6	Very low	172 Å²	172	150.1 Å²	150.1	90%	0.901	79%	0.785	S	S	*	*				176.3	100.4	107.8	-98.8	166	0	0	0	111.7
71	L	31.8	Very low	36.3	Very low	152 Å²	152	152 Å²	152	80%	0.796	79%	0.79	S	S	*	*			trans	-162	98.5	165.3	-120.5	170.8	0	0	0	110.7
72	L	42.2	Very low	36.4	Very low	169 Å²	169	153 Å²	153	89%	0.885	80%	0.797	S	S	*	*			trans	-135	45.4	-174.7	-144.5	169.9	0	0	0	112.2
73	Q	42.4	Very low	36.7	Very low	178 Å²	178	148.2 Å²	148.2	83%	0.832	80%	0.795	S	S	*	*	S	Bend	trans	-151.2	9.7	171.4	-134.3	165.7	-4.9	0	0	116.6
74	H	39.5	Very low	37.1	Very low	164 Å²	164	149 Å²	149	76%	0.759	79%	0.793	S	S	*	*			trans	-130.7	51.5	-179.6	-83.3	-1	0	0	0	113.7
75	V	43.2	Very low	37.2	Very low	125 Å²	125	149 Å²	149	76%	0.758	80%	0.803	S	S	*	*			trans	-115.5	39.4	170.6	-162.3	0	0	0	0	110.8
76	L	42.3	Very low	37.1	Very low	164 Å²	164	146.8 Å²	146.8	86%	0.859	80%	0.798	S	S	*	*	S	Bend	trans	-140.1	25.5	-177	-120.5	166.1	0	0	0	114
77	L	39.9	Very low	37	Very low	154 Å²	154	145.9 Å²	145.9	81%	0.806	80%	0.8	S	S	*	*	S	Bend	trans	-145.8	-10.9	170	-147	67.7	0	0	0	116.4
78	H	35.3	Very low	37	Very low	180 Å²	180	149.8 Å²	149.8	83%	0.833	81%	0.806	S	S	*	*	S	Bend	trans	-102.7	13.7	-179.4	-85.3	-67.4	0	0	0	115.5	L80	H78-L80 VanDerWaalsContact C-N 3.31Å; H78-L80 PolarHBondContact O-N 3.48Å
79	L	39	Very low	36.1	Very low	158 Å²	158	148.5 Å²	148.5	83%	0.827	81%	0.805	S	S	*	*	S	Bend	trans	-89.3	17.7	179.4	-116.5	170.3	0	0	0	114.2
80	L	42.5	Very low	36.3	Very low	156 Å²	156	153.3 Å²	153.3	82%	0.817	81%	0.812	S	S	*	*	S	Bend	trans	-127.7	-8.1	-170.5	-88.8	169.9	0	0	0	116.8	H78	H78-L80 VanDerWaalsContact C-N 3.31Å; H78-L80 PolarHBondContact O-N 3.48Å
81	L	44.8	Very low	36.4	Very low	163 Å²	163	148.3 Å²	148.3	85%	0.853	80%	0.803	S	S	*	*			trans	-140.8	85.1	-178.9	-72.7	176.3	0	0	0	112.9
82	L	31.2	Very low	36.3	Very low	159 Å²	159	150.3 Å²	150.3	83%	0.832	81%	0.808	S	S	*	*			trans	-139	134.4	158.1	-90.6	173.5	0	0	0	109.2	I84	L82-I84 PolarHBondContact O-N 3.2Å
83	P	37.5	Very low	35.9	Very low	124 Å²	124	151.8 Å²	151.8	81%	0.805	81%	0.807	S	S	*	*			trans	-77.6	118.9	178.7	30.6	-32.5	0	0	0	110.7	A85	P83-A85 PolarHBondContact O-N 2.92Å
84	I	35.3	Very low	35.7	Very low	146 Å²	146	151.5 Å²	151.5	75%	0.749	80%	0.803	S	S	*	*			trans	-76.3	111.5	175.2	-54.4	178	0	0	0	109.1	L82 I86	L82-I84 PolarHBondContact O-N 3.2Å; I84-I86 HydrophobicContact CB-CG1 4.43Å; I84-I86 HydrophobicContact CG2-CD1 4.5Å; I84-I86 HydrophobicContact CG2-CG1 3.74Å; I84-I86 PolarHBondContact O-N 3.39Å
85	A	35.6	Very low	36.2	Very low	99 Å²	99	154.5 Å²	154.5	82%	0.818	81%	0.808	S	S	*	*			trans	-71.8	104.1	164.3	0	0	0	0	0	109.3	P83	P83-A85 PolarHBondContact O-N 2.92Å
86	I	30.8	Very low	36.9	Very low	137 Å²	137	154.6 Å²	154.6	70%	0.703	79%	0.794	S	S	*	*			trans	-92.1	135.2	175.1	-59.9	-180	0	0	0	108.3	I84	I84-I86 HydrophobicContact CB-CG1 4.43Å; I84-I86 HydrophobicContact CG2-CD1 4.5Å; I84-I86 HydrophobicContact CG2-CG1 3.74Å; I84-I86 PolarHBondContact O-N 3.39Å
87	P	29.1	Very low	38.3	Very low	113 Å²	113	148.6 Å²	148.6	73%	0.734	76%	0.763	S	S	*	*			trans	-60	146.8	-179.8	23.9	-34.6	0	0	0	112.6	A89	P87-A89 VanDerWaalsContact C-N 3.34Å; P87-A89 PolarHBondContact O-N 2.66Å
88	Y	29.4	Very low	40.4	Very low	233 Å²	233	141.6 Å²	141.6	91%	0.914	73%	0.727	S	S	*	*			trans	-75.4	78.6	-170.8	-155.3	-89.1	0	0	0	112
89	A	27.8	Very low	43.1	Very low	85 Å²	85	133.1 Å²	133.1	70%	0.702	69%	0.688	S	S	*	*			trans	-71.3	130.1	175.1	0	0	0	0	0	111.3	P87	P87-A89 VanDerWaalsContact C-N 3.34Å; P87-A89 PolarHBondContact O-N 2.66Å
90	E	31.7	Very low	45.6	Very low	188 Å²	188	125.7 Å²	125.7	88%	0.879	65%	0.649	S	S	*	*	S	Bend	trans	-63.8	145.2	-175.9	-64.2	180	99.7	0	0	113.6
91	G	32.8	Very low	47.9	Very low	68 Å²	68	120.1 Å²	120.1	70%	0.701	62%	0.618	S	S	*	*			trans	76	37.2	147.3	0	0	0	0	0	117.4	K93	G91-K93 PolarHBondContact O-N 3.39Å
92	H	29.4	Very low	50.2	Low	194 Å²	194	112.3 Å²	112.3	90%	0.898	58%	0.578	S	S	*	*			trans	-62.5	79.8	160.9	-99.7	-44.2	0	0	0	111.3	K94	H92-K94 PolarHBondContact O-N 3.28Å
93	K	33.8	Very low	53.1	Low	199 Å²	199	108.5 Å²	108.5	87%	0.865	55%	0.554	S	S	*	*			trans	-57.2	105.9	167.8	-72.7	178.7	179.1	172.8	0	108.1	G91 R95	G91-K93 PolarHBondContact O-N 3.39Å; K93-R95 PolarHBondContact O-N 3.24Å
94	K	39.4	Very low	55.8	Low	172 Å²	172	105.4 Å²	105.4	75%	0.748	53%	0.528	S	S	*	.			trans	-43	138.4	169.6	-76.4	179.7	177.2	173.7	0	108.5	H92 R96	H92-K94 PolarHBondContact O-N 3.28Å; K94-R96 VanDerWaalsContact C-N 3.26Å; K94-R96 PolarHBondContact O-N 3.31Å
95	R	49.3	Very low	58.5	Low	228 Å²	228	99.5 Å²	99.5	86%	0.86	50%	0.5	S	S	*	.			trans	-64.1	86.8	179.1	-76.5	-177.4	174.5	173.2	-0.9	109.8	K93 N97	K93-R95 PolarHBondContact O-N 3.24Å; R95-N97 PolarHBondContact O-N 2.88Å
96	R	58.9	Low	61.1	Low	127 Å²	127	97.5 Å²	97.5	48%	0.479	48%	0.483	S	S	.	.			trans	-50	127.7	169	-162.5	-165.6	-148.2	-166.5	12.2	107.7	K94 T98 E101	K94-R96 VanDerWaalsContact C-N 3.26Å; K94-R96 PolarHBondContact O-N 3.31Å; R96-T98 PolarHBondContact O-N 3.47Å; R96-E101 IonicContact CZ-OE1 3.16Å; R96-E101 IonicContact NH1-OE1 3.21Å; R96-E101 PolarHBondContact NH1-OE1 2.62Å
97	N	69.9	Low	63.9	Low	38 Å²	38	95.3 Å²	95.3	20%	0.203	47%	0.469	C	S	.	.			trans	-69.4	129.8	165.6	-164.5	-3.5	0	0	0	107.5	R95 I99 H100 D128	R95-N97 PolarHBondContact O-N 2.88Å; N97-I99 WeakPolarHBondContact ND2-CG2 3.48Å; N97-I99 WeakPolarHBondContact OD1-CG2 3.49Å; N97-I99 PolarHBondContact OD1-N 3.05Å; N97-H100 PolarHBondContact O-CD2 3.01Å; N97-D128 PolarHBondContact ND2-OD1 2.85Å
98	T	85.6	Confident	67	Low	7 Å²	7	91.1 Å²	91.1	4%	0.043	44%	0.441	C	S	.	.			trans	-103.4	-3	-176.3	57.3	0	0	0	0	112.4	R96 H100 E101 F102 A131 N132 T135	R96-T98 PolarHBondContact O-N 3.47Å; T98-H100 PolarHBondContact O-N 3.4Å; T98-E101 WeakPolarHBondContact CB-OE2 3.37Å; T98-E101 VanDerWaalsContact O-CB 3.26Å; T98-E101 WeakPolarHBondContact O-CB 3.43Å; T98-E101 PolarHBondContact O-N 3.25Å; T98-F102 VanDerWaalsContact O-CD2 3.27Å; T98-F102 WeakPolarHBondContact O-CD2 3.24Å; T98-F102 WeakPolarHBondContact O-CE2 3.38Å; T98-A131 PolarHBondContact OG1-O 3.21Å; T98-N132 VanDerWaalsContact OG1-CA 3.29Å; T98-N132 WeakPolarHBondContact OG1-CA 3.24Å; T98-N132 PolarHBondContact OG1-N 2.93Å; T98-N132 VanDerWaalsContact OG1-N 3.12Å; T98-T135 WeakPolarHBondContact CB-OG1 3.28Å; T98-T135 HydrophobicContact CG2-CG2 3.98Å
99	I	91.1	Very high	70	Confident	2 Å²	2	80.8 Å²	80.8	1%	0.01	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-62	-25.8	178.3	-162.3	167.8	0	0	0	113.1	N97 E101 F102 A127 A131 Y179 H297	N97-I99 WeakPolarHBondContact ND2-CG2 3.48Å; N97-I99 WeakPolarHBondContact OD1-CG2 3.49Å; N97-I99 PolarHBondContact OD1-N 3.05Å; I99-E101 PolarHBondContact O-N 3.02Å; I99-F102 PolarHBondContact O-N 2.59Å; I99-A127 HydrophobicContact CD1-CB 3.6Å; I99-A131 HydrophobicContact CB-CB 4.05Å; I99-A131 HydrophobicContact CG1-CB 4.42Å; I99-Y179 HydrophobicContact CD1-CE1 3.98Å; I99-Y179 HydrophobicContact CG1-CD1 4.24Å; I99-Y179 HydrophobicContact CG1-CE1 4.06Å; I99-H297 WeakPolarHBondContact CG2-NE2 3.33Å
100	H	91.2	Very high	72.9	Confident	2 Å²	2	77.1 Å²	77.1	1%	0.009	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-67	-14.7	173.5	-42.5	-77.5	0	0	0	113	N97 T98 F102 K182 R294 L334	N97-H100 PolarHBondContact O-CD2 3.01Å; T98-H100 PolarHBondContact O-N 3.4Å; H100-F102 VanDerWaalsContact C-N 3.26Å; H100-F102 PolarHBondContact O-N 3.33Å; H100-K182 PolarHBondContact O-NZ 2.73Å; H100-R294 HydrophobicContact CB-CG 4.37Å; H100-R294 WeakPolarHBondContact ND1-CG 3.42Å; H100-R294 PolarHBondContact ND1-N 3.2Å; H100-L334 HydrophobicContact CB-CD1 3.99Å
101	E	90.6	Very high	75.4	Confident	38 Å²	38	71.3 Å²	71.3	18%	0.178	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-81.9	-2.5	176.6	-56.6	169.3	170.7	0	0	112.3	R96 T98 I99 T135 K182	R96-E101 IonicContact CZ-OE1 3.16Å; R96-E101 IonicContact NH1-OE1 3.21Å; R96-E101 PolarHBondContact NH1-OE1 2.62Å; T98-E101 WeakPolarHBondContact CB-OE2 3.37Å; T98-E101 VanDerWaalsContact O-CB 3.26Å; T98-E101 WeakPolarHBondContact O-CB 3.43Å; T98-E101 PolarHBondContact O-N 3.25Å; I99-E101 PolarHBondContact O-N 3.02Å; E101-T135 WeakPolarHBondContact OE2-CG2 3.48Å; E101-T135 PolarHBondContact OE2-OG1 3.33Å; E101-K182 WeakPolarHBondContact O-CG 2.98Å; E101-K182 PolarHBondContact O-N 2.04Å
102	F	93.2	Very high	77.4	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.6	-173.5	-62.7	-99	0	0	0	112.7	T98 I99 H100 K104 A131 C134 T135 F147 Y179 E180 N181 R294	T98-F102 VanDerWaalsContact O-CD2 3.27Å; T98-F102 WeakPolarHBondContact O-CD2 3.24Å; T98-F102 WeakPolarHBondContact O-CE2 3.38Å; I99-F102 PolarHBondContact O-N 2.59Å; H100-F102 VanDerWaalsContact C-N 3.26Å; H100-F102 PolarHBondContact O-N 3.33Å; F102-K104 PolarHBondContact O-N 3.38Å; F102-A131 HydrophobicContact CD2-CB 4.05Å; F102-A131 HydrophobicContact CE2-CB 3.84Å; F102-C134 HydrophobicContact CE1-CB 4.15Å; F102-C134 VanDerWaalsContact CE1-SG 3.51Å; F102-C134 HydrophobicContact CZ-CB 3.76Å; F102-T135 WeakPolarHBondContact CE2-OG1 3.05Å; F102-F147 AromaticContact CD1-CD1 3.95Å; F102-F147 HydrophobicContact CD1-CD1 3.95Å; F102-F147 AromaticContact CD1-CE1 3.69Å; F102-F147 HydrophobicContact CD1-CE1 3.69Å; F102-F147 HydrophobicContact CD2-CE1 4.09Å; F102-F147 AromaticContact CE1-CD1 3.82Å; F102-F147 HydrophobicContact CE1-CD1 3.82Å; F102-F147 AromaticContact CE1-CE1 3.82Å; F102-F147 HydrophobicContact CE1-CE1 3.82Å; F102-F147 HydrophobicContact CE2-CE1 4.21Å; F102-F147 AromaticContact CG-CE1 3.86Å; F102-F147 HydrophobicContact CG-CE1 3.86Å; F102-F147 HydrophobicContact CZ-CD1 4.33Å; F102-F147 HydrophobicContact CZ-CE1 4.1Å; F102-Y179 HydrophobicContact CB-CD1 4.3Å; F102-E180 CarbonylContact C-O 3.07Å; F102-E180 VanDerWaalsContact CA-O 3.26Å; F102-E180 WeakPolarHBondContact CA-O 3.07Å; F102-N181 HydrophobicContact CD1-CB 3.98Å; F102-N181 HydrophobicContact CE1-CB 3.74Å; F102-N181 HydrophobicContact CZ-CB 4.42Å; F102-R294 PolarHBondContact O-NH1 2.76Å; F102-R294 VanDerWaalsContact O-NH1 3.1Å
103	K	93.3	Very high	79.1	Confident	79 Å²	79	67.5 Å²	67.5	34%	0.343	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	118.1	169.6	-173.8	170.2	-177.6	168.4	0	110.1	Y179 E180 K182 I185 D317	K103-Y179 WeakPolarHBondContact O-CA 3.38Å; K103-E180 PolarHBondContact N-O 2.88Å; K103-E180 PolarHBondContact O-N 3.05Å; K103-K182 HydrophobicContact CB-CG 4.39Å; K103-I185 HydrophobicContact CB-CD1 3.62Å; K103-I185 HydrophobicContact CD-CD1 3.95Å; K103-I185 HydrophobicContact CG-CD1 4.36Å; K103-D317 VanDerWaalsContact CA-OD2 3.24Å; K103-D317 WeakPolarHBondContact CA-OD2 3Å
104	K	93.3	Very high	80.6	Confident	59 Å²	59	61.4 Å²	61.4	26%	0.257	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	130.2	175.4	-175.9	-176.8	-179.6	-168.1	0	110.6	F102 L178 Y179 R294 D296 D317	F102-K104 PolarHBondContact O-N 3.38Å; K104-L178 CarbonylContact C-O 3.6Å; K104-L178 WeakPolarHBondContact CA-O 3.45Å; K104-Y179 HydrophobicContact CB-CD1 4.15Å; K104-Y179 HydrophobicContact CB-CE1 3.88Å; K104-Y179 HydrophobicContact CD-CE1 4.08Å; K104-Y179 HydrophobicContact CG-CD1 4.4Å; K104-Y179 HydrophobicContact CG-CE1 3.77Å; K104-R294 VanDerWaalsContact CD-NH2 3.29Å; K104-D296 VanDerWaalsContact CD-OD2 3.29Å; K104-D296 WeakPolarHBondContact CD-OD2 3.5Å; K104-D296 IonicContact NZ-OD2 2.76Å; K104-D296 PolarHBondContact NZ-OD2 3.24Å; K104-D317 PolarHBondContact N-OD2 3.02Å; K104-D317 VanDerWaalsContact N-OD2 3.09Å
105	S	92.2	Very high	81.8	Confident	21 Å²	21	58.7 Å²	58.7	15%	0.147	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	107.4	162.5	-52.2	0	0	0	0	107.4	T108 K170 L178	S105-T108 WeakPolarHBondContact O-CB 3.45Å; S105-K170 PolarHBondContact OG-NZ 3.01Å; S105-K170 VanDerWaalsContact OG-NZ 3.14Å; S105-L178 PolarHBondContact N-O 3.24Å; S105-L178 PolarHBondContact O-N 2.84Å
106	A	89.6	Confident	82.6	Confident	58 Å²	58	51.2 Å²	51.2	48%	0.479	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	153.6	-179.1	0	0	0	0	0	111.6	T108 D177	A106-T108 PolarHBondContact O-N 3.03Å; A106-T108 VanDerWaalsContact O-N 3.12Å; A106-T108 PolarHBondContact O-OG1 3.32Å; A106-D177 WeakPolarHBondContact CA-OD1 3.35Å
107	K	91.2	Very high	83	Confident	91 Å²	91	47.7 Å²	47.7	40%	0.396	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	34.9	178.1	-56.7	-179.1	179.3	-167.2	0	113.3	F172 G173 H174 F176 D177	K107-F172 HydrophobicContact CB-CD2 4.21Å; K107-F172 HydrophobicContact CB-CE2 3.66Å; K107-F172 HydrophobicContact CB-CZ 4.21Å; K107-F172 HydrophobicContact CD-CE2 4.07Å; K107-F172 HydrophobicContact CD-CZ 4.14Å; K107-F172 WeakPolarHBondContact O-CD2 2.92Å; K107-G173 CarbonylContact C-O 3.55Å; K107-G173 VanDerWaalsContact CA-O 3.32Å; K107-G173 WeakPolarHBondContact CA-O 3.47Å; K107-G173 PolarHBondContact O-N 3.14Å; K107-H174 VanDerWaalsContact CE-NE2 3.29Å; K107-H174 WeakPolarHBondContact CE-NE2 3.5Å; K107-H174 PolarHBondContact NZ-NE2 3.33Å; K107-F176 CarbonylContact C-O 3.54Å; K107-F176 WeakPolarHBondContact CA-O 3.43Å; K107-F176 PolarHBondContact N-O 3.49Å; K107-D177 PolarHBondContact N-OD1 3.43Å; K107-D177 VanDerWaalsContact N-OD1 3.16Å
108	T	93	Very high	83.2	Confident	24 Å²	24	54 Å²	54	15%	0.147	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	144.6	-169.1	-57.3	0	0	0	0	110.8	S105 A106 K170 E171 F176 L178	S105-T108 WeakPolarHBondContact O-CB 3.45Å; A106-T108 PolarHBondContact O-N 3.03Å; A106-T108 VanDerWaalsContact O-N 3.12Å; A106-T108 PolarHBondContact O-OG1 3.32Å; T108-K170 HydrophobicContact CG2-CB 4.22Å; T108-K170 HydrophobicContact CG2-CD 4.14Å; T108-K170 HydrophobicContact CG2-CG 4.29Å; T108-E171 WeakPolarHBondContact CA-O 3.42Å; T108-F176 PolarHBondContact N-O 2.72Å; T108-F176 WeakPolarHBondContact O-CB 3.28Å; T108-L178 HydrophobicContact CG2-CB 4.17Å; T108-L178 HydrophobicContact CG2-CD2 3.76Å; T108-L178 WeakPolarHBondContact O-CB 3.04Å; T108-L178 PolarHBondContact O-N 3.14Å
109	T	92.4	Very high	83.2	Confident	17 Å²	17	56.7 Å²	56.7	10%	0.104	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	172.8	169.5	-167.3	0	0	0	0	111.5	K170 E171 F176	T109-K170 WeakPolarHBondContact O-CA 3.34Å; T109-E171 HydrophobicContact CG2-CB 3.96Å; T109-E171 PolarHBondContact N-O 3.35Å; T109-E171 PolarHBondContact O-N 2.83Å; T109-F176 HydrophobicContact CG2-CD2 4.35Å
110	L	89.5	Confident	83	Confident	8 Å²	8	61.1 Å²	61.1	4%	0.042	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	122	171	-67.3	175.3	0	0	0	110	A146 F161 V168 K169 K170 L178	L110-A146 HydrophobicContact CD1-CB 4.07Å; L110-F161 HydrophobicContact CB-CE2 4.03Å; L110-F161 HydrophobicContact CD1-CD2 4.21Å; L110-F161 HydrophobicContact CD1-CE2 4.3Å; L110-V168 HydrophobicContact CB-CG1 4.15Å; L110-V168 HydrophobicContact CD2-CG1 3.95Å; L110-V168 HydrophobicContact CG-CG1 4.43Å; L110-K169 WeakPolarHBondContact CA-O 3.33Å; L110-K170 HydrophobicContact CD2-CG 3.81Å; L110-L178 HydrophobicContact CD1-CD1 3.75Å; L110-L178 HydrophobicContact CD1-CD2 4.41Å; L110-L178 HydrophobicContact CD2-CD2 3.81Å; L110-L178 HydrophobicContact CG-CD1 3.73Å; L110-L178 HydrophobicContact CG-CD2 3.79Å; L110-L178 HydrophobicContact CG-CG 4.43Å
111	I	83.7	Confident	83	Confident	65 Å²	65	64 Å²	64	33%	0.333	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	142.1	169.1	53.8	169.4	0	0	0	110.3	V168 K169 E171	I111-V168 WeakPolarHBondContact O-CA 3.1Å; I111-V168 WeakPolarHBondContact O-CG1 3.22Å; I111-K169 HydrophobicContact CD1-CB 4.19Å; I111-K169 HydrophobicContact CG1-CB 3.93Å; I111-K169 WeakPolarHBondContact CG1-O 3.44Å; I111-K169 PolarHBondContact N-O 2.88Å; I111-K169 PolarHBondContact O-N 3.35Å; I111-E171 HydrophobicContact CD1-CB 4.3Å; I111-E171 HydrophobicContact CG1-CB 4.25Å; I111-E171 HydrophobicContact CG2-CB 4.17Å; I111-E171 WeakPolarHBondContact CG2-OE2 3.34Å
112	K	75.3	Confident	83	Confident	66 Å²	66	68.2 Å²	68.2	29%	0.287	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	142	177.1	66.6	-177.7	-162.1	135.7	0	110.1	D114 P115 L117 I119 F161	K112-D114 VanDerWaalsContact CD-O 3.26Å; K112-D114 WeakPolarHBondContact CD-O 3.28Å; K112-D114 VanDerWaalsContact CE-O 3.27Å; K112-D114 WeakPolarHBondContact CE-O 3.39Å; K112-D114 PolarHBondContact NZ-O 2.79Å; K112-P115 PolarHBondContact NZ-O 3.21Å; K112-L117 HydrophobicContact CD-CB 4.2Å; K112-L117 PolarHBondContact NZ-O 2.83Å; K112-I119 HydrophobicContact CD-CD1 4.13Å; K112-F161 HydrophobicContact CB-CE1 4.3Å; K112-F161 HydrophobicContact CB-CZ 3.89Å; K112-F161 HydrophobicContact CD-CE1 4.36Å; K112-F161 HydrophobicContact CD-CZ 4.35Å
113	I	63.9	Low	82.9	Confident	117 Å²	117	75.8 Å²	75.8	60%	0.6	39%	0.392	S	S	*	.	S	Bend	trans	-87.8	-28.5	171.9	-61.9	170.5	0	0	0	110.3	P115 G167	I113-P115 WeakPolarHBondContact O-CD 2.99Å; I113-G167 WeakPolarHBondContact CB-O 3.36Å; I113-G167 WeakPolarHBondContact CG1-O 3.39Å; I113-G167 PolarHBondContact N-O 2.92Å
114	D	65.7	Low	82.7	Confident	71 Å²	71	72.9 Å²	72.9	38%	0.38	38%	0.38	S	S	.	.			trans	-88.2	119.2	178.4	173.3	25	0	0	0	113.5	K112 A116 L117	K112-D114 VanDerWaalsContact CD-O 3.26Å; K112-D114 WeakPolarHBondContact CD-O 3.28Å; K112-D114 VanDerWaalsContact CE-O 3.27Å; K112-D114 WeakPolarHBondContact CE-O 3.39Å; K112-D114 PolarHBondContact NZ-O 2.79Å; D114-A116 VanDerWaalsContact C-N 3.29Å; D114-A116 PolarHBondContact O-N 2.82Å; D114-A116 WeakPolarHBondContact OD1-CB 3.01Å; D114-A116 PolarHBondContact OD1-N 2.99Å; D114-L117 HydrophobicContact CB-CD1 4.16Å; D114-L117 HydrophobicContact CB-CG 4.43Å; D114-L117 WeakPolarHBondContact OD2-CG 3.47Å
115	P	65.5	Low	82.4	Confident	115 Å²	115	75.8 Å²	75.8	75%	0.747	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.2	172.2	-23.8	35.9	0	0	0	115.2	K112 I113 L117	K112-P115 PolarHBondContact NZ-O 3.21Å; I113-P115 WeakPolarHBondContact O-CD 2.99Å; P115-L117 PolarHBondContact O-N 2.67Å
116	A	64.8	Low	82.4	Confident	70 Å²	70	77.2 Å²	77.2	58%	0.579	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-28.4	-173.6	0	0	0	0	0	114.3	D114 K118	D114-A116 VanDerWaalsContact C-N 3.29Å; D114-A116 PolarHBondContact O-N 2.82Å; D114-A116 WeakPolarHBondContact OD1-CB 3.01Å; D114-A116 PolarHBondContact OD1-N 2.99Å; A116-K118 PolarHBondContact O-N 2.94Å
117	L	68.1	Low	82.5	Confident	54 Å²	54	74.9 Å²	74.9	28%	0.283	39%	0.388	S	S	.	.	S	Bend	trans	-62.6	104.4	178	-68.2	165.6	0	0	0	112	K112 D114 P115 I119 P160 F161	K112-L117 HydrophobicContact CD-CB 4.2Å; K112-L117 PolarHBondContact NZ-O 2.83Å; D114-L117 HydrophobicContact CB-CD1 4.16Å; D114-L117 HydrophobicContact CB-CG 4.43Å; D114-L117 WeakPolarHBondContact OD2-CG 3.47Å; P115-L117 PolarHBondContact O-N 2.67Å; L117-I119 PolarHBondContact O-N 2.94Å; L117-P160 HydrophobicContact CD2-CG 4.43Å; L117-F161 HydrophobicContact CB-CD1 4.14Å; L117-F161 HydrophobicContact CB-CE1 3.88Å; L117-F161 HydrophobicContact CD1-CD1 3.76Å; L117-F161 HydrophobicContact CD1-CE1 3.99Å; L117-F161 HydrophobicContact CD2-CD1 4.35Å; L117-F161 HydrophobicContact CG-CD1 4.3Å; L117-F161 HydrophobicContact CG-CE1 4.46Å
118	K	74.3	Confident	82.5	Confident	170 Å²	170	72.7 Å²	72.7	74%	0.739	38%	0.38	S	S	*	.			trans	-76.1	115.4	-176.7	-63.1	-179.8	-176.5	174.2	0	111.1	A116 F142	A116-K118 PolarHBondContact O-N 2.94Å; K118-F142 WeakPolarHBondContact O-CE1 3.4Å
119	I	84.7	Confident	82.4	Confident	64 Å²	64	76.2 Å²	76.2	33%	0.328	40%	0.395	S	S	.	.			trans	-84.5	145.5	172.6	-59.4	164.8	0	0	0	108.7	K112 L117 L157 F159	K112-I119 HydrophobicContact CD-CD1 4.13Å; L117-I119 PolarHBondContact O-N 2.94Å; I119-L157 HydrophobicContact CG2-CB 4.19Å; I119-F159 HydrophobicContact CD1-CD1 4.14Å; I119-F159 HydrophobicContact CD1-CE1 3.7Å; I119-F159 HydrophobicContact CG1-CD1 3.81Å; I119-F159 HydrophobicContact CG1-CE1 3.85Å; I119-F159 HydrophobicContact CG2-CD1 4.18Å; I119-F159 HydrophobicContact CG2-CE1 3.97Å
120	K	88.4	Confident	82.5	Confident	95 Å²	95	75.4 Å²	75.4	41%	0.413	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.9	170.7	-167.9	62.3	172.1	-178.4	0	110.6	L140 F142 W158	K120-L140 HydrophobicContact CB-CD2 4.07Å; K120-L140 HydrophobicContact CG-CD2 3.97Å; K120-F142 HydrophobicContact CB-CE1 4.09Å; K120-F142 HydrophobicContact CB-CZ 3.89Å; K120-W158 PolarHBondContact N-O 3.34Å; K120-W158 VanDerWaalsContact N-O 3.15Å; K120-W158 PolarHBondContact O-N 2.8Å
121	T	90.1	Very high	82.7	Confident	61 Å²	61	75 Å²	75	37%	0.374	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	143	-176.9	-47.8	0	0	0	0	110.9	Q155 C156 L157	T121-Q155 HydrophobicContact CG2-CG 3.59Å; T121-C156 VanDerWaalsContact CA-O 3.32Å; T121-C156 WeakPolarHBondContact CA-O 3.27Å; T121-C156 WeakPolarHBondContact CG2-O 3.48Å; T121-L157 HydrophobicContact CG2-CD1 4.09Å; T121-L157 HydrophobicContact CG2-CG 4.06Å
122	K	91.8	Very high	83	Confident	128 Å²	128	73.7 Å²	73.7	56%	0.557	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-155.3	145	170.4	-165	-176.5	174.3	179.6	0	110.9	V124 Q155 C156 W158	K122-V124 HydrophobicContact CB-CG2 4.4Å; K122-Q155 WeakPolarHBondContact O-CA 3.19Å; K122-Q155 WeakPolarHBondContact O-CG 3.37Å; K122-C156 PolarHBondContact N-O 2.97Å; K122-C156 VanDerWaalsContact N-O 3.09Å; K122-C156 PolarHBondContact O-N 3.3Å; K122-W158 HydrophobicContact CB-CH2 3.96Å; K122-W158 HydrophobicContact CB-CZ3 3.67Å
123	K	91	Very high	83.8	Confident	159 Å²	159	72.9 Å²	72.9	69%	0.691	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	131.8	167.6	-70.4	-168.4	176.8	-173.2	0	110.6	K154	K123-K154 CarbonylContact C-O 3.56Å; K123-K154 WeakPolarHBondContact CA-O 3.48Å
124	V	89.2	Confident	85.2	Confident	17 Å²	17	67.5 Å²	67.5	10%	0.103	35%	0.349	C	S	.	.			trans	-159.3	139.7	-169.8	174.5	0	0	0	0	108.3	K122 Q129 K154 C156 W158	K122-V124 HydrophobicContact CB-CG2 4.4Å; V124-Q129 HydrophobicContact CG1-CB 3.25Å; V124-Q129 HydrophobicContact CG1-CG 4.29Å; V124-Q129 VanDerWaalsContact CG1-OE1 3.31Å; V124-K154 PolarHBondContact N-O 3.19Å; V124-K154 CarbonylContact O-C 3.6Å; V124-C156 WeakPolarHBondContact CB-SG 3.26Å; V124-C156 WeakPolarHBondContact CG1-SG 3.14Å; V124-C156 VanDerWaalsContact CG2-SG 3.55Å; V124-W158 HydrophobicContact CG2-CH2 3.91Å; V124-W158 HydrophobicContact CG2-CZ2 4.45Å
125	N	86.8	Confident	86.3	Confident	120 Å²	120	66.8 Å²	66.8	64%	0.642	35%	0.347	S	S	*	.	S	Bend	trans	-84.7	-28.4	-165	-66.2	1.4	0	0	0	114.4	Q129	N125-Q129 VanDerWaalsContact N-OE1 3.11Å
126	T	91.4	Very high	87.3	Confident	51 Å²	51	67.8 Å²	67.8	31%	0.313	34%	0.337	S	S	.	.			trans	-137.7	159.3	-178.9	82	0	0	0	0	113	D128 Q129 C130	T126-D128 VanDerWaalsContact C-N 3.28Å; T126-D128 VanDerWaalsContact CB-OD2 3.27Å; T126-D128 WeakPolarHBondContact CB-OD2 3.03Å; T126-D128 PolarHBondContact O-N 3.07Å; T126-D128 PolarHBondContact OG1-N 3.41Å; T126-D128 PolarHBondContact OG1-OD2 3.48Å; T126-Q129 WeakPolarHBondContact O-CB 3.01Å; T126-Q129 PolarHBondContact O-N 2.02Å; T126-C130 PolarHBondContact O-N 2.77Å
127	A	91.9	Very high	88.2	Confident	10 Å²	10	67.1 Å²	67.1	8%	0.083	32%	0.323	C	S	.	.	H	α-helix	trans	-64.2	-30	175.4	0	0	0	0	0	112.8	I99 Q129 C130 A131 F147 F149 Y179	I99-A127 HydrophobicContact CD1-CB 3.6Å; A127-Q129 PolarHBondContact O-N 3.36Å; A127-C130 WeakPolarHBondContact O-CA 3.1Å; A127-C130 VanDerWaalsContact O-CB 3.27Å; A127-C130 WeakPolarHBondContact O-CB 3.41Å; A127-C130 PolarHBondContact O-N 2.92Å; A127-A131 PolarHBondContact O-N 3.19Å; A127-F147 HydrophobicContact CB-CE2 4.42Å; A127-F149 HydrophobicContact CB-CB 4.42Å; A127-F149 HydrophobicContact CB-CD1 4.32Å; A127-F149 HydrophobicContact CB-CG 4.29Å; A127-Y179 HydrophobicContact CB-CE2 4.18Å
128	D	90.8	Very high	88.9	Confident	45 Å²	45	69.6 Å²	69.6	24%	0.241	34%	0.337	C	S	.	.	H	α-helix	trans	-61.2	-35.4	175.1	-35.5	-103.3	0	0	0	111.9	N97 T126 A131 N132 H297	N97-D128 PolarHBondContact ND2-OD1 2.85Å; T126-D128 VanDerWaalsContact C-N 3.28Å; T126-D128 VanDerWaalsContact CB-OD2 3.27Å; T126-D128 WeakPolarHBondContact CB-OD2 3.03Å; T126-D128 PolarHBondContact O-N 3.07Å; T126-D128 PolarHBondContact OG1-N 3.41Å; T126-D128 PolarHBondContact OG1-OD2 3.48Å; D128-A131 PolarHBondContact O-N 3.3Å; D128-N132 VanDerWaalsContact O-CB 3.27Å; D128-N132 WeakPolarHBondContact O-CB 3.36Å; D128-N132 PolarHBondContact O-N 2.83Å; D128-N132 PolarHBondContact O-ND2 3.07Å; D128-H297 IonicContact OD1-NE2 3.28Å
129	Q	91.9	Very high	89.1	Confident	98 Å²	98	64 Å²	64	46%	0.458	33%	0.327	S	S	.	.	H	α-helix	trans	-73	-31.8	176.3	-64.6	175.3	1	0	0	110.9	V124 N125 T126 A127 R133	V124-Q129 HydrophobicContact CG1-CB 3.25Å; V124-Q129 HydrophobicContact CG1-CG 4.29Å; V124-Q129 VanDerWaalsContact CG1-OE1 3.31Å; N125-Q129 VanDerWaalsContact N-OE1 3.11Å; T126-Q129 WeakPolarHBondContact O-CB 3.01Å; T126-Q129 PolarHBondContact O-N 2.02Å; A127-Q129 PolarHBondContact O-N 3.36Å; Q129-R133 PolarHBondContact O-N 2.86Å
130	C	93.4	Very high	89.2	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64.5	-50.8	168.1	-52.8	0	0	0	0	111.5	T126 A127 R133 C134 F147 F149 C156 W158	T126-C130 PolarHBondContact O-N 2.77Å; A127-C130 WeakPolarHBondContact O-CA 3.1Å; A127-C130 VanDerWaalsContact O-CB 3.27Å; A127-C130 WeakPolarHBondContact O-CB 3.41Å; A127-C130 PolarHBondContact O-N 2.92Å; C130-R133 PolarHBondContact O-N 2.67Å; C130-C134 PolarHBondContact O-N 2.03Å; C130-F147 HydrophobicContact CB-CD1 4.38Å; C130-F147 HydrophobicContact CB-CD2 3.34Å; C130-F147 HydrophobicContact CB-CE1 4.35Å; C130-F147 HydrophobicContact CB-CE2 3.3Å; C130-F147 HydrophobicContact CB-CG 3.92Å; C130-F147 HydrophobicContact CB-CZ 3.83Å; C130-F149 VanDerWaalsContact SG-CD2 3.58Å; C130-C156 WeakPolarHBondContact CA-SG 3.44Å; C130-C156 HydrophobicContact CB-CB 3.83Å; C130-C156 WeakPolarHBondContact CB-SG 3.22Å; C130-C156 WeakPolarHBondContact SG-CB 3.38Å; C130-C156 CovalentContact SG-SG 2.02Å; C130-C156 PolarHBondContact SG-SG 2.73Å; C130-W158 PolarHBondContact O-NE1 3.39Å
131	A	93.5	Very high	89.1	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-61.2	-47.2	-179.8	0	0	0	0	0	111.9	T98 I99 F102 A127 D128 R133 C134 T135 F147	T98-A131 PolarHBondContact OG1-O 3.21Å; I99-A131 HydrophobicContact CB-CB 4.05Å; I99-A131 HydrophobicContact CG1-CB 4.42Å; F102-A131 HydrophobicContact CD2-CB 4.05Å; F102-A131 HydrophobicContact CE2-CB 3.84Å; A127-A131 PolarHBondContact O-N 3.19Å; D128-A131 PolarHBondContact O-N 3.3Å; A131-R133 PolarHBondContact O-N 3.37Å; A131-C134 PolarHBondContact O-N 2.95Å; A131-C134 VanDerWaalsContact O-N 3.08Å; A131-T135 PolarHBondContact O-N 2.61Å; A131-T135 PolarHBondContact O-OG1 2.97Å; A131-F147 HydrophobicContact CB-CE1 3.74Å; A131-F147 HydrophobicContact CB-CZ 3.86Å
132	N	91.8	Very high	89	Confident	36 Å²	36	60.8 Å²	60.8	19%	0.193	32%	0.317	C	S	.	.	H	α-helix	trans	-60.3	-32.2	178.5	-93.4	-88.2	0	0	0	112.5	T98 D128 R136	T98-N132 VanDerWaalsContact OG1-CA 3.29Å; T98-N132 WeakPolarHBondContact OG1-CA 3.24Å; T98-N132 PolarHBondContact OG1-N 2.93Å; T98-N132 VanDerWaalsContact OG1-N 3.12Å; D128-N132 VanDerWaalsContact O-CB 3.27Å; D128-N132 WeakPolarHBondContact O-CB 3.36Å; D128-N132 PolarHBondContact O-N 2.83Å; D128-N132 PolarHBondContact O-ND2 3.07Å; N132-R136 VanDerWaalsContact O-CB 3.32Å; N132-R136 WeakPolarHBondContact O-CB 3.01Å; N132-R136 VanDerWaalsContact O-CD 3.24Å; N132-R136 WeakPolarHBondContact O-CD 3.36Å; N132-R136 WeakPolarHBondContact O-CG 3.43Å; N132-R136 PolarHBondContact O-N 2.83Å; N132-R136 PolarHBondContact OD1-NE 2.76Å; N132-R136 PolarHBondContact OD1-NH2 2.8Å
133	R	91.8	Very high	88.8	Confident	49 Å²	49	58.1 Å²	58.1	19%	0.185	31%	0.312	C	S	.	.	H	α-helix	trans	-76.4	-38	175.1	-162.5	-176.5	-171	-165.2	-4.3	112.2	Q129 C130 A131 N137 N138 G139 W158	Q129-R133 PolarHBondContact O-N 2.86Å; C130-R133 PolarHBondContact O-N 2.67Å; A131-R133 PolarHBondContact O-N 3.37Å; R133-N137 CarbonylContact O-C 3.52Å; R133-N137 WeakPolarHBondContact O-CA 3.27Å; R133-N137 PolarHBondContact O-N 3.46Å; R133-N137 VanDerWaalsContact O-N 3.07Å; R133-N138 HydrophobicContact CG-CB 4.26Å; R133-N138 WeakPolarHBondContact CG-O 3.32Å; R133-N138 PolarHBondContact NE-O 2.84Å; R133-N138 PolarHBondContact NH2-O 3.14Å; R133-N138 PolarHBondContact O-N 2.89Å; R133-G139 PolarHBondContact NH2-O 2.04Å; R133-W158 HydrophobicContact CB-CZ2 3.76Å; R133-W158 VanDerWaalsContact CD-CH2 3.45Å; R133-W158 HydrophobicContact CG-CZ2 4.08Å
134	C	92.4	Very high	88.9	Confident	4 Å²	4	50.8 Å²	50.8	3%	0.027	28%	0.28	C	S	.	.	H	α-helix	trans	-65.5	-57.2	178.5	-168.3	0	0	0	0	111.3	F102 C130 A131 R136 N137 C144 F147	F102-C134 HydrophobicContact CE1-CB 4.15Å; F102-C134 VanDerWaalsContact CE1-SG 3.51Å; F102-C134 HydrophobicContact CZ-CB 3.76Å; C130-C134 PolarHBondContact O-N 2.03Å; A131-C134 PolarHBondContact O-N 2.95Å; A131-C134 VanDerWaalsContact O-N 3.08Å; C134-R136 VanDerWaalsContact C-N 3.29Å; C134-R136 PolarHBondContact O-N 3.32Å; C134-N137 PolarHBondContact O-N 2.91Å; C134-C144 VanDerWaalsContact CA-SG 3.56Å; C134-C144 HydrophobicContact CB-CB 3.96Å; C134-C144 WeakPolarHBondContact CB-SG 3.48Å; C134-C144 WeakPolarHBondContact SG-CB 3.3Å; C134-C144 CovalentContact SG-SG 2.03Å; C134-C144 PolarHBondContact SG-SG 3.16Å; C134-F147 HydrophobicContact CB-CD1 4.15Å
135	T	89.6	Confident	89	Confident	56 Å²	56	51.9 Å²	51.9	34%	0.344	28%	0.284	S	S	.	.	H	α-helix	trans	-56.9	-39.1	178.9	-58.5	0	0	0	0	112.7	T98 E101 F102 A131 N137	T98-T135 WeakPolarHBondContact CB-OG1 3.28Å; T98-T135 HydrophobicContact CG2-CG2 3.98Å; E101-T135 WeakPolarHBondContact OE2-CG2 3.48Å; E101-T135 PolarHBondContact OE2-OG1 3.33Å; F102-T135 WeakPolarHBondContact CE2-OG1 3.05Å; A131-T135 PolarHBondContact O-N 2.61Å; A131-T135 PolarHBondContact O-OG1 2.97Å; T135-N137 VanDerWaalsContact C-N 3.31Å
136	R	85.9	Confident	89.4	Confident	137 Å²	137	46.1 Å²	46.1	52%	0.517	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-1.2	179.8	-58.2	174.4	-162.4	-124.8	1.4	113.7	N132 C134 N138	N132-R136 VanDerWaalsContact O-CB 3.32Å; N132-R136 WeakPolarHBondContact O-CB 3.01Å; N132-R136 VanDerWaalsContact O-CD 3.24Å; N132-R136 WeakPolarHBondContact O-CD 3.36Å; N132-R136 WeakPolarHBondContact O-CG 3.43Å; N132-R136 PolarHBondContact O-N 2.83Å; N132-R136 PolarHBondContact OD1-NE 2.76Å; N132-R136 PolarHBondContact OD1-NH2 2.8Å; C134-R136 VanDerWaalsContact C-N 3.29Å; C134-R136 PolarHBondContact O-N 3.32Å; R136-N138 HydrophobicContact CB-CB 4.26Å; R136-N138 PolarHBondContact O-N 2.85Å
137	N	83.5	Confident	89.6	Confident	56 Å²	56	43.7 Å²	43.7	30%	0.299	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	28.6	-171.8	-140.8	56.5	0	0	0	115.5	R133 C134 T135 G139 L140 F142 C144	R133-N137 CarbonylContact O-C 3.52Å; R133-N137 WeakPolarHBondContact O-CA 3.27Å; R133-N137 PolarHBondContact O-N 3.46Å; R133-N137 VanDerWaalsContact O-N 3.07Å; C134-N137 PolarHBondContact O-N 2.91Å; T135-N137 VanDerWaalsContact C-N 3.31Å; N137-G139 PolarHBondContact O-N 3.05Å; N137-G139 VanDerWaalsContact O-N 3.09Å; N137-L140 PolarHBondContact O-N 2.87Å; N137-F142 VanDerWaalsContact CG-O 3.31Å; N137-F142 PolarHBondContact ND2-O 2.95Å; N137-F142 PolarHBondContact OD1-O 2.93Å; N137-C144 PolarHBondContact OD1-N 3.23Å
138	N	82.4	Confident	89.8	Confident	106 Å²	106	43.2 Å²	43.2	57%	0.567	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	106	-160.2	-179.3	-0.1	0	0	0	112.1	R133 R136 L140	R133-N138 HydrophobicContact CG-CB 4.26Å; R133-N138 WeakPolarHBondContact CG-O 3.32Å; R133-N138 PolarHBondContact NE-O 2.84Å; R133-N138 PolarHBondContact NH2-O 3.14Å; R133-N138 PolarHBondContact O-N 2.89Å; R136-N138 HydrophobicContact CB-CB 4.26Å; R136-N138 PolarHBondContact O-N 2.85Å; N138-L140 VanDerWaalsContact C-N 3.29Å; N138-L140 PolarHBondContact O-N 3.31Å
139	G	79.7	Confident	90	Very high	52 Å²	52	42 Å²	42	54%	0.536	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	34.2	-177.4	0	0	0	0	0	112.8	R133 N137	R133-G139 PolarHBondContact NH2-O 2.04Å; N137-G139 PolarHBondContact O-N 3.05Å; N137-G139 VanDerWaalsContact O-N 3.09Å
140	L	86.8	Confident	90.1	Very high	14 Å²	14	37.5 Å²	37.5	7%	0.073	21%	0.206	C	C	.	.			trans	-105.6	133.8	168.2	-60.1	-180	0	0	0	108.5	K120 N137 N138 F142 C144 W158	K120-L140 HydrophobicContact CB-CD2 4.07Å; K120-L140 HydrophobicContact CG-CD2 3.97Å; N137-L140 PolarHBondContact O-N 2.87Å; N138-L140 VanDerWaalsContact C-N 3.29Å; N138-L140 PolarHBondContact O-N 3.31Å; L140-F142 PolarHBondContact O-N 2.91Å; L140-C144 HydrophobicContact CD1-CB 3.74Å; L140-W158 HydrophobicContact CD1-CB 4.15Å; L140-W158 HydrophobicContact CD1-CG 4.03Å; L140-W158 HydrophobicContact CD2-CB 4.15Å; L140-W158 HydrophobicContact CD2-CD2 4.01Å; L140-W158 HydrophobicContact CD2-CE3 4Å; L140-W158 HydrophobicContact CD2-CG 4.09Å
141	P	86.2	Confident	90.1	Very high	106 Å²	106	40.4 Å²	40.4	69%	0.688	22%	0.219	S	C	*	.	S	Bend	trans	-83.1	14.3	-175.2	34.5	-35	0	0	0	113.7
142	F	87.6	Confident	89.9	Confident	32 Å²	32	43.1 Å²	43.1	14%	0.14	24%	0.241	C	C	.	.	S	Bend	trans	-155.7	163.4	-176.2	50.1	-107.9	0	0	0	109	K118 K120 N137 L140 C144 W158 P160	K118-F142 WeakPolarHBondContact O-CE1 3.4Å; K120-F142 HydrophobicContact CB-CE1 4.09Å; K120-F142 HydrophobicContact CB-CZ 3.89Å; N137-F142 VanDerWaalsContact CG-O 3.31Å; N137-F142 PolarHBondContact ND2-O 2.95Å; N137-F142 PolarHBondContact OD1-O 2.93Å; L140-F142 PolarHBondContact O-N 2.91Å; F142-C144 PolarHBondContact O-N 3.17Å; F142-W158 HydrophobicContact CE2-CB 4.38Å; F142-W158 HydrophobicContact CZ-CB 4.37Å; F142-W158 WeakPolarHBondContact CZ-O 3.3Å; F142-P160 HydrophobicContact CB-CB 3.91Å; F142-P160 HydrophobicContact CD1-CB 4.43Å; F142-P160 HydrophobicContact CD1-CG 4.43Å; F142-P160 HydrophobicContact CD2-CB 3.74Å; F142-P160 HydrophobicContact CD2-CG 4.35Å; F142-P160 HydrophobicContact CE2-CB 4.41Å; F142-P160 HydrophobicContact CG-CB 3.77Å; F142-P160 HydrophobicContact CG-CG 4.25Å
143	T	88	Confident	89.9	Confident	73 Å²	73	47.4 Å²	47.4	45%	0.448	25%	0.254	S	S	.	.			trans	-72.5	119.2	171.8	-54	0	0	0	0	110.4	K145 P160 Y184	T143-K145 PolarHBondContact O-N 2.99Å; T143-P160 WeakPolarHBondContact O-CA 3.34Å; T143-Y184 WeakPolarHBondContact CG2-OH 3.23Å
144	C	91.7	Very high	90	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.034	27%	0.267	C	S	.	.			trans	-73.1	114.7	-178.6	-171.9	0	0	0	0	112.3	C134 N137 L140 F142	C134-C144 VanDerWaalsContact CA-SG 3.56Å; C134-C144 HydrophobicContact CB-CB 3.96Å; C134-C144 WeakPolarHBondContact CB-SG 3.48Å; C134-C144 WeakPolarHBondContact SG-CB 3.3Å; C134-C144 CovalentContact SG-SG 2.03Å; C134-C144 PolarHBondContact SG-SG 3.16Å; N137-C144 PolarHBondContact OD1-N 3.23Å; L140-C144 HydrophobicContact CD1-CB 3.74Å; F142-C144 PolarHBondContact O-N 3.17Å
145	K	92.4	Very high	90.1	Very high	39 Å²	39	52 Å²	52	17%	0.17	28%	0.276	C	S	.	.			trans	-99	-29.2	176.2	-62.3	-166	-175.5	-175.3	0	112.9	T143 F159 P160 N162 N181 Y184 Q233	T143-K145 PolarHBondContact O-N 2.99Å; K145-F159 PolarHBondContact N-O 2.82Å; K145-P160 VanDerWaalsContact CD-O 3.3Å; K145-P160 WeakPolarHBondContact CD-O 3.39Å; K145-P160 WeakPolarHBondContact CG-O 3.25Å; K145-N162 HydrophobicContact CB-CB 4.48Å; K145-N181 VanDerWaalsContact O-CB 3.32Å; K145-N181 WeakPolarHBondContact O-CB 3.36Å; K145-N181 PolarHBondContact O-N 3.34Å; K145-Y184 HydrophobicContact CB-CD2 4.26Å; K145-Y184 HydrophobicContact CD-CD1 4.02Å; K145-Y184 HydrophobicContact CD-CE1 4.19Å; K145-Y184 HydrophobicContact CD-CG 4.2Å; K145-Y184 HydrophobicContact CG-CD1 4.34Å; K145-Y184 HydrophobicContact CG-CD2 4Å; K145-Y184 HydrophobicContact CG-CE1 4.34Å; K145-Y184 HydrophobicContact CG-CE2 3.98Å; K145-Y184 HydrophobicContact CG-CG 4.19Å; K145-Q233 VanDerWaalsContact NZ-OE1 3.14Å
146	A	95	Very high	90.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	164.7	175.2	0	0	0	0	0	112.1	L110 F159 F161 L178 Y179 E180	L110-A146 HydrophobicContact CD1-CB 4.07Å; A146-F159 PolarHBondContact N-O 2.77Å; A146-F159 PolarHBondContact O-N 3.43Å; A146-F161 WeakPolarHBondContact CB-O 3.44Å; A146-L178 HydrophobicContact CB-CD1 4.33Å; A146-Y179 CarbonylContact C-O 3.56Å; A146-Y179 WeakPolarHBondContact CA-O 3.47Å; A146-E180 HydrophobicContact CB-CB 4.45Å; A146-E180 HydrophobicContact CB-CG 4.03Å
147	F	95.5	Very high	90.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	154.4	165.4	71.4	-94.1	0	0	0	111.9	F102 A127 C130 A131 C134 L157 W158 Y179	F102-F147 AromaticContact CD1-CD1 3.95Å; F102-F147 HydrophobicContact CD1-CD1 3.95Å; F102-F147 AromaticContact CD1-CE1 3.69Å; F102-F147 HydrophobicContact CD1-CE1 3.69Å; F102-F147 HydrophobicContact CD2-CE1 4.09Å; F102-F147 AromaticContact CE1-CD1 3.82Å; F102-F147 HydrophobicContact CE1-CD1 3.82Å; F102-F147 AromaticContact CE1-CE1 3.82Å; F102-F147 HydrophobicContact CE1-CE1 3.82Å; F102-F147 HydrophobicContact CE2-CE1 4.21Å; F102-F147 AromaticContact CG-CE1 3.86Å; F102-F147 HydrophobicContact CG-CE1 3.86Å; F102-F147 HydrophobicContact CZ-CD1 4.33Å; F102-F147 HydrophobicContact CZ-CE1 4.1Å; A127-F147 HydrophobicContact CB-CE2 4.42Å; C130-F147 HydrophobicContact CB-CD1 4.38Å; C130-F147 HydrophobicContact CB-CD2 3.34Å; C130-F147 HydrophobicContact CB-CE1 4.35Å; C130-F147 HydrophobicContact CB-CE2 3.3Å; C130-F147 HydrophobicContact CB-CG 3.92Å; C130-F147 HydrophobicContact CB-CZ 3.83Å; A131-F147 HydrophobicContact CB-CE1 3.74Å; A131-F147 HydrophobicContact CB-CZ 3.86Å; C134-F147 HydrophobicContact CB-CD1 4.15Å; F147-L157 CarbonylContact C-O 3.52Å; F147-L157 WeakPolarHBondContact CA-O 3.05Å; F147-L157 VanDerWaalsContact CB-O 3.3Å; F147-L157 WeakPolarHBondContact CB-O 3.48Å; F147-W158 HydrophobicContact CB-CG 4.32Å; F147-Y179 AromaticContact CD2-CD2 3.97Å; F147-Y179 HydrophobicContact CD2-CD2 3.97Å; F147-Y179 HydrophobicContact CD2-CG 4.26Å; F147-Y179 VanDerWaalsContact CE1-CB 3.47Å; F147-Y179 HydrophobicContact CE1-CG 4.11Å; F147-Y179 HydrophobicContact CE2-CD1 4.39Å; F147-Y179 AromaticContact CE2-CD2 3.31Å; F147-Y179 HydrophobicContact CE2-CD2 3.31Å; F147-Y179 HydrophobicContact CE2-CE2 4.09Å; F147-Y179 AromaticContact CE2-CG 3.5Å; F147-Y179 HydrophobicContact CE2-CG 3.5Å; F147-Y179 AromaticContact CZ-CD1 4Å; F147-Y179 HydrophobicContact CZ-CD1 4Å; F147-Y179 AromaticContact CZ-CD2 3.77Å; F147-Y179 HydrophobicContact CZ-CD2 3.77Å; F147-Y179 AromaticContact CZ-CG 3.42Å; F147-Y179 HydrophobicContact CZ-CG 3.42Å; F147-Y179 VanDerWaalsContact CZ-CG 3.42Å; F147-Y179 PolarHBondContact N-O 3.15Å; F147-Y179 PolarHBondContact O-N 3.39Å
148	V	95.3	Very high	91.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	136	168.5	165.4	0	0	0	0	108.1	C156 L157 F159 F176 D177 L178	V148-C156 WeakPolarHBondContact O-CA 3.24Å; V148-L157 HydrophobicContact CB-CB 4.44Å; V148-L157 PolarHBondContact N-O 3.25Å; V148-L157 PolarHBondContact O-N 2.78Å; V148-F159 HydrophobicContact CB-CE2 3.87Å; V148-F159 HydrophobicContact CB-CZ 4.38Å; V148-F159 HydrophobicContact CG2-CE2 3.67Å; V148-F159 HydrophobicContact CG2-CZ 4.16Å; V148-F176 HydrophobicContact CG1-CB 3.71Å; V148-F176 HydrophobicContact CG1-CD1 3.64Å; V148-F176 HydrophobicContact CG1-CG 3.93Å; V148-D177 WeakPolarHBondContact CA-O 3.48Å; V148-L178 HydrophobicContact CG2-CB 4.09Å; V148-L178 HydrophobicContact CG2-CD1 3.75Å
149	F	95.9	Very high	91.7	Very high	18 Å²	18	36.9 Å²	36.9	8%	0.079	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	116.4	169.2	-175.1	-120	0	0	0	109.9	A127 C130 K151 K154 D177 Y179	A127-F149 HydrophobicContact CB-CB 4.42Å; A127-F149 HydrophobicContact CB-CD1 4.32Å; A127-F149 HydrophobicContact CB-CG 4.29Å; C130-F149 VanDerWaalsContact SG-CD2 3.58Å; F149-K151 HydrophobicContact CD1-CG 4.08Å; F149-K151 HydrophobicContact CE1-CG 4.34Å; F149-K151 PolarHBondContact O-N 2.78Å; F149-K154 HydrophobicContact CZ-CD 4.16Å; F149-D177 PolarHBondContact N-O 3.31Å; F149-D177 PolarHBondContact O-N 3.38Å; F149-Y179 HydrophobicContact CB-CE2 4.24Å
150	D	94.1	Very high	92.2	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	109.5	169.1	-177	-30	0	0	0	109	A152 R153 K154 Q155 F176	D150-A152 VanDerWaalsContact C-N 3.31Å; D150-A152 PolarHBondContact O-N 3.38Å; D150-A152 WeakPolarHBondContact OD1-CA 3.35Å; D150-A152 PolarHBondContact OD1-N 3.1Å; D150-R153 HydrophobicContact CB-CB 4.5Å; D150-R153 PolarHBondContact OD1-N 2.69Å; D150-R153 IonicContact OD1-NH1 3.69Å; D150-R153 WeakPolarHBondContact OD2-CB 3.07Å; D150-R153 WeakPolarHBondContact OD2-CD 3.25Å; D150-R153 VanDerWaalsContact OD2-CG 3.29Å; D150-R153 WeakPolarHBondContact OD2-CG 3.07Å; D150-R153 IonicContact OD2-CZ 3.77Å; D150-R153 IonicContact OD2-NE 3.2Å; D150-R153 IonicContact OD2-NH1 2.73Å; D150-R153 PolarHBondContact OD2-NH1 3.36Å; D150-K154 WeakPolarHBondContact O-CA 3.21Å; D150-K154 PolarHBondContact O-N 2.93Å; D150-K154 VanDerWaalsContact O-N 3.13Å; D150-Q155 HydrophobicContact CB-CB 4.1Å; D150-Q155 PolarHBondContact N-O 3.21Å; D150-Q155 PolarHBondContact O-N 2.83Å; D150-F176 HydrophobicContact CB-CD1 4.09Å; D150-F176 HydrophobicContact CB-CE1 3.95Å
151	K	92.3	Very high	92.3	Very high	62 Å²	62	35.3 Å²	35.3	27%	0.27	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-25.7	-177.3	-68.6	168	-70.3	-163.7	0	112.5	F149 K154 H174 E175 F176 D177	F149-K151 HydrophobicContact CD1-CG 4.08Å; F149-K151 HydrophobicContact CE1-CG 4.34Å; F149-K151 PolarHBondContact O-N 2.78Å; K151-K154 WeakPolarHBondContact O-CE 3.3Å; K151-K154 PolarHBondContact O-NZ 3.29Å; K151-H174 WeakPolarHBondContact CE-O 3.38Å; K151-H174 PolarHBondContact NZ-O 3.31Å; K151-E175 WeakPolarHBondContact CB-O 3.2Å; K151-E175 WeakPolarHBondContact CE-O 3.33Å; K151-E175 PolarHBondContact N-O 2.72Å; K151-F176 PolarHBondContact NZ-O 2.81Å; K151-D177 IonicContact NZ-OD1 3.71Å; K151-D177 PolarHBondContact NZ-OD1 3.3Å; K151-D177 IonicContact NZ-OD2 3.53Å
152	A	91.1	Very high	92.6	Very high	57 Å²	57	30.6 Å²	30.6	47%	0.471	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-50.4	-177.9	0	0	0	0	0	111.5	D150 E175	D150-A152 VanDerWaalsContact C-N 3.31Å; D150-A152 PolarHBondContact O-N 3.38Å; D150-A152 WeakPolarHBondContact OD1-CA 3.35Å; D150-A152 PolarHBondContact OD1-N 3.1Å; A152-E175 HydrophobicContact CB-CG 4.46Å; A152-E175 WeakPolarHBondContact CB-OE1 3.42Å
153	R	91.3	Very high	92.7	Very high	125 Å²	125	31.1 Å²	31.1	47%	0.472	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-5.4	-176.1	-55.8	177.2	-170.3	68	11.8	113.6	D150 Q155 E175	D150-R153 HydrophobicContact CB-CB 4.5Å; D150-R153 PolarHBondContact OD1-N 2.69Å; D150-R153 IonicContact OD1-NH1 3.69Å; D150-R153 WeakPolarHBondContact OD2-CB 3.07Å; D150-R153 WeakPolarHBondContact OD2-CD 3.25Å; D150-R153 VanDerWaalsContact OD2-CG 3.29Å; D150-R153 WeakPolarHBondContact OD2-CG 3.07Å; D150-R153 IonicContact OD2-CZ 3.77Å; D150-R153 IonicContact OD2-NE 3.2Å; D150-R153 IonicContact OD2-NH1 2.73Å; D150-R153 PolarHBondContact OD2-NH1 3.36Å; R153-Q155 HydrophobicContact CB-CB 4.25Å; R153-E175 IonicContact CZ-OE2 3.96Å; R153-E175 IonicContact NH1-OE2 2.67Å; R153-E175 PolarHBondContact NH1-OE2 3.07Å; R153-E175 IonicContact NH2-OE2 2.62Å; R153-E175 PolarHBondContact NH2-OE2 3.35Å
154	K	92.9	Very high	92.6	Very high	102 Å²	102	33 Å²	33	44%	0.443	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	66.5	-173.5	-56.6	-55	-176.8	-161.3	0	110.4	K123 V124 F149 D150 K151	K123-K154 CarbonylContact C-O 3.56Å; K123-K154 WeakPolarHBondContact CA-O 3.48Å; V124-K154 PolarHBondContact N-O 3.19Å; V124-K154 CarbonylContact O-C 3.6Å; F149-K154 HydrophobicContact CZ-CD 4.16Å; D150-K154 WeakPolarHBondContact O-CA 3.21Å; D150-K154 PolarHBondContact O-N 2.93Å; D150-K154 VanDerWaalsContact O-N 3.13Å; K151-K154 WeakPolarHBondContact O-CE 3.3Å; K151-K154 PolarHBondContact O-NZ 3.29Å
155	Q	94.4	Very high	92.4	Very high	49 Å²	49	34.1 Å²	34.1	23%	0.229	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	134.5	-167.2	-159.7	173.9	40.2	0	0	110.7	T121 K122 D150 R153	T121-Q155 HydrophobicContact CG2-CG 3.59Å; K122-Q155 WeakPolarHBondContact O-CA 3.19Å; K122-Q155 WeakPolarHBondContact O-CG 3.37Å; D150-Q155 HydrophobicContact CB-CB 4.1Å; D150-Q155 PolarHBondContact N-O 3.21Å; D150-Q155 PolarHBondContact O-N 2.83Å; R153-Q155 HydrophobicContact CB-CB 4.25Å
156	C	94.8	Very high	92	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	138.3	168.2	-44	0	0	0	0	109.7	T121 K122 V124 C130 V148 W158	T121-C156 VanDerWaalsContact CA-O 3.32Å; T121-C156 WeakPolarHBondContact CA-O 3.27Å; T121-C156 WeakPolarHBondContact CG2-O 3.48Å; K122-C156 PolarHBondContact N-O 2.97Å; K122-C156 VanDerWaalsContact N-O 3.09Å; K122-C156 PolarHBondContact O-N 3.3Å; V124-C156 WeakPolarHBondContact CB-SG 3.26Å; V124-C156 WeakPolarHBondContact CG1-SG 3.14Å; V124-C156 VanDerWaalsContact CG2-SG 3.55Å; C130-C156 WeakPolarHBondContact CA-SG 3.44Å; C130-C156 HydrophobicContact CB-CB 3.83Å; C130-C156 WeakPolarHBondContact CB-SG 3.22Å; C130-C156 WeakPolarHBondContact SG-CB 3.38Å; C130-C156 CovalentContact SG-SG 2.02Å; C130-C156 PolarHBondContact SG-SG 2.73Å; V148-C156 WeakPolarHBondContact O-CA 3.24Å; C156-W158 HydrophobicContact CB-CD2 4.01Å; C156-W158 HydrophobicContact CB-CE3 4.11Å; C156-W158 HydrophobicContact CB-CH2 3.52Å; C156-W158 HydrophobicContact CB-CZ2 3.41Å; C156-W158 VanDerWaalsContact CB-CZ2 3.41Å; C156-W158 HydrophobicContact CB-CZ3 3.87Å; C156-W158 WeakPolarHBondContact SG-CZ2 3.27Å
157	L	93.8	Very high	91.3	Very high	34 Å²	34	40 Å²	40	18%	0.178	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.6	160.4	-69.8	71.3	0	0	0	107	I119 T121 F147 V148 F159	I119-L157 HydrophobicContact CG2-CB 4.19Å; T121-L157 HydrophobicContact CG2-CD1 4.09Å; T121-L157 HydrophobicContact CG2-CG 4.06Å; F147-L157 CarbonylContact C-O 3.52Å; F147-L157 WeakPolarHBondContact CA-O 3.05Å; F147-L157 VanDerWaalsContact CB-O 3.3Å; F147-L157 WeakPolarHBondContact CB-O 3.48Å; V148-L157 HydrophobicContact CB-CB 4.44Å; V148-L157 PolarHBondContact N-O 3.25Å; V148-L157 PolarHBondContact O-N 2.78Å; L157-F159 HydrophobicContact CB-CE2 3.89Å; L157-F159 HydrophobicContact CB-CZ 3.78Å; L157-F159 HydrophobicContact CD2-CZ 4.22Å; L157-F159 WeakPolarHBondContact O-CE2 3.44Å
158	W	94.1	Very high	90.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	138.7	176.6	-63.5	-83.2	0	0	0	110.4	K120 K122 V124 C130 R133 L140 F142 F147 C156	K120-W158 PolarHBondContact N-O 3.34Å; K120-W158 VanDerWaalsContact N-O 3.15Å; K120-W158 PolarHBondContact O-N 2.8Å; K122-W158 HydrophobicContact CB-CH2 3.96Å; K122-W158 HydrophobicContact CB-CZ3 3.67Å; V124-W158 HydrophobicContact CG2-CH2 3.91Å; V124-W158 HydrophobicContact CG2-CZ2 4.45Å; C130-W158 PolarHBondContact O-NE1 3.39Å; R133-W158 HydrophobicContact CB-CZ2 3.76Å; R133-W158 VanDerWaalsContact CD-CH2 3.45Å; R133-W158 HydrophobicContact CG-CZ2 4.08Å; L140-W158 HydrophobicContact CD1-CB 4.15Å; L140-W158 HydrophobicContact CD1-CG 4.03Å; L140-W158 HydrophobicContact CD2-CB 4.15Å; L140-W158 HydrophobicContact CD2-CD2 4.01Å; L140-W158 HydrophobicContact CD2-CE3 4Å; L140-W158 HydrophobicContact CD2-CG 4.09Å; F142-W158 HydrophobicContact CE2-CB 4.38Å; F142-W158 HydrophobicContact CZ-CB 4.37Å; F142-W158 WeakPolarHBondContact CZ-O 3.3Å; F147-W158 HydrophobicContact CB-CG 4.32Å; C156-W158 HydrophobicContact CB-CD2 4.01Å; C156-W158 HydrophobicContact CB-CE3 4.11Å; C156-W158 HydrophobicContact CB-CH2 3.52Å; C156-W158 HydrophobicContact CB-CZ2 3.41Å; C156-W158 VanDerWaalsContact CB-CZ2 3.41Å; C156-W158 HydrophobicContact CB-CZ3 3.87Å; C156-W158 WeakPolarHBondContact SG-CZ2 3.27Å
159	F	92.1	Very high	90.4	Very high	2 Å²	2	47 Å²	47	1%	0.009	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.8	-172.4	-56.3	-86.2	0	0	0	112.1	I119 K145 A146 V148 L157 F161	I119-F159 HydrophobicContact CD1-CD1 4.14Å; I119-F159 HydrophobicContact CD1-CE1 3.7Å; I119-F159 HydrophobicContact CG1-CD1 3.81Å; I119-F159 HydrophobicContact CG1-CE1 3.85Å; I119-F159 HydrophobicContact CG2-CD1 4.18Å; I119-F159 HydrophobicContact CG2-CE1 3.97Å; K145-F159 PolarHBondContact N-O 2.82Å; A146-F159 PolarHBondContact N-O 2.77Å; A146-F159 PolarHBondContact O-N 3.43Å; V148-F159 HydrophobicContact CB-CE2 3.87Å; V148-F159 HydrophobicContact CB-CZ 4.38Å; V148-F159 HydrophobicContact CG2-CE2 3.67Å; V148-F159 HydrophobicContact CG2-CZ 4.16Å; L157-F159 HydrophobicContact CB-CE2 3.89Å; L157-F159 HydrophobicContact CB-CZ 3.78Å; L157-F159 HydrophobicContact CD2-CZ 4.22Å; L157-F159 WeakPolarHBondContact O-CE2 3.44Å; F159-F161 HydrophobicContact CB-CD1 4.45Å; F159-F161 HydrophobicContact CB-CD2 4.15Å; F159-F161 HydrophobicContact CB-CE1 4.45Å; F159-F161 HydrophobicContact CB-CE2 4.17Å; F159-F161 HydrophobicContact CB-CG 4.32Å; F159-F161 HydrophobicContact CB-CZ 4.33Å; F159-F161 HydrophobicContact CD1-CD2 4.39Å; F159-F161 AromaticContact CD1-CE1 3.97Å; F159-F161 HydrophobicContact CD1-CE1 3.97Å; F159-F161 AromaticContact CD1-CE2 3.57Å; F159-F161 HydrophobicContact CD1-CE2 3.57Å; F159-F161 AromaticContact CD1-CZ 3.33Å; F159-F161 HydrophobicContact CD1-CZ 3.33Å; F159-F161 HydrophobicContact CE1-CE2 4.23Å; F159-F161 AromaticContact CE1-CZ 3.98Å; F159-F161 HydrophobicContact CE1-CZ 3.98Å; F159-F161 HydrophobicContact CG-CE2 4.08Å; F159-F161 HydrophobicContact CG-CZ 4.19Å; F159-F161 PolarHBondContact O-N 3.26Å
160	P	90.5	Very high	90.2	Very high	28 Å²	28	50.4 Å²	50.4	18%	0.182	27%	0.272	C	S	.	.	S	Bend	trans	-77.6	-2.3	168.6	31.2	-32.6	0	0	0	113.6	L117 F142 T143 K145	L117-P160 HydrophobicContact CD2-CG 4.43Å; F142-P160 HydrophobicContact CB-CB 3.91Å; F142-P160 HydrophobicContact CD1-CB 4.43Å; F142-P160 HydrophobicContact CD1-CG 4.43Å; F142-P160 HydrophobicContact CD2-CB 3.74Å; F142-P160 HydrophobicContact CD2-CG 4.35Å; F142-P160 HydrophobicContact CE2-CB 4.41Å; F142-P160 HydrophobicContact CG-CB 3.77Å; F142-P160 HydrophobicContact CG-CG 4.25Å; T143-P160 WeakPolarHBondContact O-CA 3.34Å; K145-P160 VanDerWaalsContact CD-O 3.3Å; K145-P160 WeakPolarHBondContact CD-O 3.39Å; K145-P160 WeakPolarHBondContact CG-O 3.25Å
161	F	90.1	Very high	90	Very high	5 Å²	5	54.9 Å²	54.9	2%	0.022	29%	0.293	C	S	.	.			trans	-127	168.7	-174.9	56.2	-104.5	0	0	0	111.6	L110 K112 L117 A146 F159 V168	L110-F161 HydrophobicContact CB-CE2 4.03Å; L110-F161 HydrophobicContact CD1-CD2 4.21Å; L110-F161 HydrophobicContact CD1-CE2 4.3Å; K112-F161 HydrophobicContact CB-CE1 4.3Å; K112-F161 HydrophobicContact CB-CZ 3.89Å; K112-F161 HydrophobicContact CD-CE1 4.36Å; K112-F161 HydrophobicContact CD-CZ 4.35Å; L117-F161 HydrophobicContact CB-CD1 4.14Å; L117-F161 HydrophobicContact CB-CE1 3.88Å; L117-F161 HydrophobicContact CD1-CD1 3.76Å; L117-F161 HydrophobicContact CD1-CE1 3.99Å; L117-F161 HydrophobicContact CD2-CD1 4.35Å; L117-F161 HydrophobicContact CG-CD1 4.3Å; L117-F161 HydrophobicContact CG-CE1 4.46Å; A146-F161 WeakPolarHBondContact CB-O 3.44Å; F159-F161 HydrophobicContact CB-CD1 4.45Å; F159-F161 HydrophobicContact CB-CD2 4.15Å; F159-F161 HydrophobicContact CB-CE1 4.45Å; F159-F161 HydrophobicContact CB-CE2 4.17Å; F159-F161 HydrophobicContact CB-CG 4.32Å; F159-F161 HydrophobicContact CB-CZ 4.33Å; F159-F161 HydrophobicContact CD1-CD2 4.39Å; F159-F161 AromaticContact CD1-CE1 3.97Å; F159-F161 HydrophobicContact CD1-CE1 3.97Å; F159-F161 AromaticContact CD1-CE2 3.57Å; F159-F161 HydrophobicContact CD1-CE2 3.57Å; F159-F161 AromaticContact CD1-CZ 3.33Å; F159-F161 HydrophobicContact CD1-CZ 3.33Å; F159-F161 HydrophobicContact CE1-CE2 4.23Å; F159-F161 AromaticContact CE1-CZ 3.98Å; F159-F161 HydrophobicContact CE1-CZ 3.98Å; F159-F161 HydrophobicContact CG-CE2 4.08Å; F159-F161 HydrophobicContact CG-CZ 4.19Å; F159-F161 PolarHBondContact O-N 3.26Å; F161-V168 HydrophobicContact CB-CG2 4.1Å; F161-V168 HydrophobicContact CD2-CB 4.35Å; F161-V168 HydrophobicContact CD2-CG1 3.78Å; F161-V168 HydrophobicContact CD2-CG2 3.56Å; F161-V168 HydrophobicContact CE2-CG1 3.91Å; F161-V168 HydrophobicContact CE2-CG2 4.04Å; F161-V168 HydrophobicContact CG-CG2 3.86Å
162	N	90.9	Very high	89.9	Confident	7 Å²	7	59.2 Å²	59.2	4%	0.037	31%	0.312	C	S	.	.			trans	-136.3	-178.3	176.8	64.3	6.2	0	0	0	109.6	K145 M164 S165 Y184 I185	K145-N162 HydrophobicContact CB-CB 4.48Å; N162-M164 PolarHBondContact O-N 2.81Å; N162-M164 VanDerWaalsContact O-N 3.16Å; N162-M164 PolarHBondContact OD1-N 3.43Å; N162-M164 VanDerWaalsContact OD1-N 3.16Å; N162-S165 PolarHBondContact N-OG 3.46Å; N162-S165 VanDerWaalsContact O-CB 3.28Å; N162-S165 WeakPolarHBondContact O-CB 3.5Å; N162-S165 PolarHBondContact O-N 2.79Å; N162-S165 VanDerWaalsContact O-N 3.08Å; N162-S165 PolarHBondContact O-OG 3Å; N162-S165 PolarHBondContact OD1-N 2.92Å; N162-S165 PolarHBondContact OD1-OG 2.03Å; N162-Y184 PolarHBondContact ND2-O 3.23Å; N162-I185 HydrophobicContact CB-CG2 4.18Å; N162-I185 VanDerWaalsContact ND2-CG2 3.3Å; N162-I185 WeakPolarHBondContact ND2-CG2 3.46Å
163	S	90.2	Very high	89.7	Confident	44 Å²	44	57.1 Å²	57.1	31%	0.308	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-6.7	-179.6	77.4	0	0	0	0	115.6	K170 E180	S163-K170 WeakPolarHBondContact OG-CE 3.14Å; S163-E180 WeakPolarHBondContact CB-OE1 3.25Å; S163-E180 PolarHBondContact N-OE1 3.07Å; S163-E180 PolarHBondContact OG-OE1 2.99Å
164	M	86.8	Confident	89.4	Confident	111 Å²	111	56.8 Å²	56.8	55%	0.547	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-1.1	173.2	-62	-177.1	71.4	0	0	112.2	N162 I185	N162-M164 PolarHBondContact O-N 2.81Å; N162-M164 VanDerWaalsContact O-N 3.16Å; N162-M164 PolarHBondContact OD1-N 3.43Å; N162-M164 VanDerWaalsContact OD1-N 3.16Å; M164-I185 HydrophobicContact SD-CB 4.27Å; M164-I185 HydrophobicContact SD-CG2 4.4Å
165	S	87.2	Confident	89.3	Confident	30 Å²	30	55.5 Å²	55.5	21%	0.21	30%	0.295	C	S	.	.	S	Bend	trans	-81.6	133.4	-179.6	-58.1	0	0	0	0	110.9	N162 G167 V168	N162-S165 PolarHBondContact N-OG 3.46Å; N162-S165 VanDerWaalsContact O-CB 3.28Å; N162-S165 WeakPolarHBondContact O-CB 3.5Å; N162-S165 PolarHBondContact O-N 2.79Å; N162-S165 VanDerWaalsContact O-N 3.08Å; N162-S165 PolarHBondContact O-OG 3Å; N162-S165 PolarHBondContact OD1-N 2.92Å; N162-S165 PolarHBondContact OD1-OG 2.03Å; S165-G167 PolarHBondContact O-N 2.79Å; S165-V168 WeakPolarHBondContact O-CB 3.29Å; S165-V168 PolarHBondContact O-N 2.71Å; S165-V168 VanDerWaalsContact O-N 3.15Å
166	S	82.9	Confident	89.2	Confident	123 Å²	123	55.6 Å²	55.6	86%	0.86	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	132.1	177.7	-51.7	0	0	0	0	112
167	G	81.2	Confident	89.2	Confident	38 Å²	38	56.4 Å²	56.4	39%	0.392	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	14.7	-179.6	0	0	0	0	0	115.4	I113 S165	I113-G167 WeakPolarHBondContact CB-O 3.36Å; I113-G167 WeakPolarHBondContact CG1-O 3.39Å; I113-G167 PolarHBondContact N-O 2.92Å; S165-G167 PolarHBondContact O-N 2.79Å
168	V	85.4	Confident	89.3	Confident	15 Å²	15	54.8 Å²	54.8	9%	0.091	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	144.9	174.6	-176.9	0	0	0	0	110.1	L110 I111 F161 S165	L110-V168 HydrophobicContact CB-CG1 4.15Å; L110-V168 HydrophobicContact CD2-CG1 3.95Å; L110-V168 HydrophobicContact CG-CG1 4.43Å; I111-V168 WeakPolarHBondContact O-CA 3.1Å; I111-V168 WeakPolarHBondContact O-CG1 3.22Å; F161-V168 HydrophobicContact CB-CG2 4.1Å; F161-V168 HydrophobicContact CD2-CB 4.35Å; F161-V168 HydrophobicContact CD2-CG1 3.78Å; F161-V168 HydrophobicContact CD2-CG2 3.56Å; F161-V168 HydrophobicContact CE2-CG1 3.91Å; F161-V168 HydrophobicContact CE2-CG2 4.04Å; F161-V168 HydrophobicContact CG-CG2 3.86Å; S165-V168 WeakPolarHBondContact O-CB 3.29Å; S165-V168 PolarHBondContact O-N 2.71Å; S165-V168 VanDerWaalsContact O-N 3.15Å
169	K	86.9	Confident	89.3	Confident	132 Å²	132	55.3 Å²	55.3	57%	0.574	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.7	152	170.5	-65.6	-176.1	178	-177.9	0	110.8	L110 I111	L110-K169 WeakPolarHBondContact CA-O 3.33Å; I111-K169 HydrophobicContact CD1-CB 4.19Å; I111-K169 HydrophobicContact CG1-CB 3.93Å; I111-K169 WeakPolarHBondContact CG1-O 3.44Å; I111-K169 PolarHBondContact N-O 2.88Å; I111-K169 PolarHBondContact O-N 3.35Å
170	K	91.4	Very high	89.5	Confident	91 Å²	91	55.4 Å²	55.4	40%	0.396	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	141.9	164.9	-71.3	-170.4	176.1	-164.1	0	109.4	S105 T108 T109 L110 S163 L178 E180	S105-K170 PolarHBondContact OG-NZ 3.01Å; S105-K170 VanDerWaalsContact OG-NZ 3.14Å; T108-K170 HydrophobicContact CG2-CB 4.22Å; T108-K170 HydrophobicContact CG2-CD 4.14Å; T108-K170 HydrophobicContact CG2-CG 4.29Å; T109-K170 WeakPolarHBondContact O-CA 3.34Å; L110-K170 HydrophobicContact CD2-CG 3.81Å; S163-K170 WeakPolarHBondContact OG-CE 3.14Å; K170-L178 HydrophobicContact CD-CD2 4.33Å; K170-L178 HydrophobicContact CG-CD2 4.39Å; K170-E180 WeakPolarHBondContact CE-OE2 3.17Å; K170-E180 IonicContact NZ-OE2 2.82Å; K170-E180 PolarHBondContact NZ-OE2 3.39Å
171	E	89.9	Confident	89.6	Confident	98 Å²	98	54.7 Å²	54.7	46%	0.458	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	145.3	175.8	-178.4	175.7	-118.7	0	0	109.8	T108 T109 I111	T108-E171 WeakPolarHBondContact CA-O 3.42Å; T109-E171 HydrophobicContact CG2-CB 3.96Å; T109-E171 PolarHBondContact N-O 3.35Å; T109-E171 PolarHBondContact O-N 2.83Å; I111-E171 HydrophobicContact CD1-CB 4.3Å; I111-E171 HydrophobicContact CG1-CB 4.25Å; I111-E171 HydrophobicContact CG2-CB 4.17Å; I111-E171 WeakPolarHBondContact CG2-OE2 3.34Å
172	F	90.3	Very high	89.6	Confident	152 Å²	152	54.6 Å²	54.6	67%	0.667	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	129.6	176.6	-179.8	-96	0	0	0	110.6	K107	K107-F172 HydrophobicContact CB-CD2 4.21Å; K107-F172 HydrophobicContact CB-CE2 3.66Å; K107-F172 HydrophobicContact CB-CZ 4.21Å; K107-F172 HydrophobicContact CD-CE2 4.07Å; K107-F172 HydrophobicContact CD-CZ 4.14Å; K107-F172 WeakPolarHBondContact O-CD2 2.92Å
173	G	86.9	Confident	89.6	Confident	13 Å²	13	55.8 Å²	55.8	13%	0.134	29%	0.294	C	S	.	.			trans	-155.2	108.3	-179.8	0	0	0	0	0	111.6	K107 E175 F176	K107-G173 CarbonylContact C-O 3.55Å; K107-G173 VanDerWaalsContact CA-O 3.32Å; K107-G173 WeakPolarHBondContact CA-O 3.47Å; K107-G173 PolarHBondContact O-N 3.14Å; G173-E175 VanDerWaalsContact C-N 3.29Å; G173-E175 PolarHBondContact O-N 3.31Å; G173-F176 PolarHBondContact O-N 3.15Å
174	H	84.1	Confident	89.6	Confident	118 Å²	118	54.4 Å²	54.4	55%	0.546	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-37.4	-169.5	-160.9	-98.8	0	0	0	113.9	K107 K151 F176	K107-H174 VanDerWaalsContact CE-NE2 3.29Å; K107-H174 WeakPolarHBondContact CE-NE2 3.5Å; K107-H174 PolarHBondContact NZ-NE2 3.33Å; K151-H174 WeakPolarHBondContact CE-O 3.38Å; K151-H174 PolarHBondContact NZ-O 3.31Å; H174-F176 VanDerWaalsContact C-N 3.25Å; H174-F176 PolarHBondContact O-N 3.06Å
175	E	91	Very high	89.7	Confident	76 Å²	76	50.6 Å²	50.6	36%	0.355	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-15.2	179.6	-56	-163.8	129.6	0	0	114	K151 A152 R153 G173	K151-E175 WeakPolarHBondContact CB-O 3.2Å; K151-E175 WeakPolarHBondContact CE-O 3.33Å; K151-E175 PolarHBondContact N-O 2.72Å; A152-E175 HydrophobicContact CB-CG 4.46Å; A152-E175 WeakPolarHBondContact CB-OE1 3.42Å; R153-E175 IonicContact CZ-OE2 3.96Å; R153-E175 IonicContact NH1-OE2 2.67Å; R153-E175 PolarHBondContact NH1-OE2 3.07Å; R153-E175 IonicContact NH2-OE2 2.62Å; R153-E175 PolarHBondContact NH2-OE2 3.35Å; G173-E175 VanDerWaalsContact C-N 3.29Å; G173-E175 PolarHBondContact O-N 3.31Å
176	F	93.1	Very high	89.7	Confident	50 Å²	50	50.4 Å²	50.4	22%	0.219	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	139.3	-169.2	-58.1	-57.2	0	0	0	112.3	K107 T108 T109 V148 D150 K151 G173 H174	K107-F176 CarbonylContact C-O 3.54Å; K107-F176 WeakPolarHBondContact CA-O 3.43Å; K107-F176 PolarHBondContact N-O 3.49Å; T108-F176 PolarHBondContact N-O 2.72Å; T108-F176 WeakPolarHBondContact O-CB 3.28Å; T109-F176 HydrophobicContact CG2-CD2 4.35Å; V148-F176 HydrophobicContact CG1-CB 3.71Å; V148-F176 HydrophobicContact CG1-CD1 3.64Å; V148-F176 HydrophobicContact CG1-CG 3.93Å; D150-F176 HydrophobicContact CB-CD1 4.09Å; D150-F176 HydrophobicContact CB-CE1 3.95Å; K151-F176 PolarHBondContact NZ-O 2.81Å; G173-F176 PolarHBondContact O-N 3.15Å; H174-F176 VanDerWaalsContact C-N 3.25Å; H174-F176 PolarHBondContact O-N 3.06Å
177	D	94.1	Very high	90	Very high	18 Å²	18	49 Å²	49	10%	0.096	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.4	160.9	-70.8	-15.1	0	0	0	108.8	A106 K107 V148 F149 K151 Y179	A106-D177 WeakPolarHBondContact CA-OD1 3.35Å; K107-D177 PolarHBondContact N-OD1 3.43Å; K107-D177 VanDerWaalsContact N-OD1 3.16Å; V148-D177 WeakPolarHBondContact CA-O 3.48Å; F149-D177 PolarHBondContact N-O 3.31Å; F149-D177 PolarHBondContact O-N 3.38Å; K151-D177 IonicContact NZ-OD1 3.71Å; K151-D177 PolarHBondContact NZ-OD1 3.3Å; K151-D177 IonicContact NZ-OD2 3.53Å; D177-Y179 HydrophobicContact CB-CD2 4.45Å; D177-Y179 HydrophobicContact CB-CE2 3.6Å; D177-Y179 WeakPolarHBondContact O-CD2 3.34Å
178	L	95.4	Very high	90.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	137.6	179.2	168.2	64.9	0	0	0	110.3	K104 S105 T108 L110 A146 V148 K170 E180	K104-L178 CarbonylContact C-O 3.6Å; K104-L178 WeakPolarHBondContact CA-O 3.45Å; S105-L178 PolarHBondContact N-O 3.24Å; S105-L178 PolarHBondContact O-N 2.84Å; T108-L178 HydrophobicContact CG2-CB 4.17Å; T108-L178 HydrophobicContact CG2-CD2 3.76Å; T108-L178 WeakPolarHBondContact O-CB 3.04Å; T108-L178 PolarHBondContact O-N 3.14Å; L110-L178 HydrophobicContact CD1-CD1 3.75Å; L110-L178 HydrophobicContact CD1-CD2 4.41Å; L110-L178 HydrophobicContact CD2-CD2 3.81Å; L110-L178 HydrophobicContact CG-CD1 3.73Å; L110-L178 HydrophobicContact CG-CD2 3.79Å; L110-L178 HydrophobicContact CG-CG 4.43Å; A146-L178 HydrophobicContact CB-CD1 4.33Å; V148-L178 HydrophobicContact CG2-CB 4.09Å; V148-L178 HydrophobicContact CG2-CD1 3.75Å; K170-L178 HydrophobicContact CD-CD2 4.33Å; K170-L178 HydrophobicContact CG-CD2 4.39Å; L178-E180 HydrophobicContact CD1-CG 3.84Å; L178-E180 HydrophobicContact CD2-CG 4.03Å; L178-E180 HydrophobicContact CG-CG 3.81Å
179	Y	95.4	Very high	90.8	Very high	11 Å²	11	47 Å²	47	4%	0.043	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	109.9	179.3	-67.4	-94	0	0	0	109.5	I99 F102 K103 K104 A127 A146 F147 F149 D177	I99-Y179 HydrophobicContact CD1-CE1 3.98Å; I99-Y179 HydrophobicContact CG1-CD1 4.24Å; I99-Y179 HydrophobicContact CG1-CE1 4.06Å; F102-Y179 HydrophobicContact CB-CD1 4.3Å; K103-Y179 WeakPolarHBondContact O-CA 3.38Å; K104-Y179 HydrophobicContact CB-CD1 4.15Å; K104-Y179 HydrophobicContact CB-CE1 3.88Å; K104-Y179 HydrophobicContact CD-CE1 4.08Å; K104-Y179 HydrophobicContact CG-CD1 4.4Å; K104-Y179 HydrophobicContact CG-CE1 3.77Å; A127-Y179 HydrophobicContact CB-CE2 4.18Å; A146-Y179 CarbonylContact C-O 3.56Å; A146-Y179 WeakPolarHBondContact CA-O 3.47Å; F147-Y179 AromaticContact CD2-CD2 3.97Å; F147-Y179 HydrophobicContact CD2-CD2 3.97Å; F147-Y179 HydrophobicContact CD2-CG 4.26Å; F147-Y179 VanDerWaalsContact CE1-CB 3.47Å; F147-Y179 HydrophobicContact CE1-CG 4.11Å; F147-Y179 HydrophobicContact CE2-CD1 4.39Å; F147-Y179 AromaticContact CE2-CD2 3.31Å; F147-Y179 HydrophobicContact CE2-CD2 3.31Å; F147-Y179 HydrophobicContact CE2-CE2 4.09Å; F147-Y179 AromaticContact CE2-CG 3.5Å; F147-Y179 HydrophobicContact CE2-CG 3.5Å; F147-Y179 AromaticContact CZ-CD1 4Å; F147-Y179 HydrophobicContact CZ-CD1 4Å; F147-Y179 AromaticContact CZ-CD2 3.77Å; F147-Y179 HydrophobicContact CZ-CD2 3.77Å; F147-Y179 AromaticContact CZ-CG 3.42Å; F147-Y179 HydrophobicContact CZ-CG 3.42Å; F147-Y179 VanDerWaalsContact CZ-CG 3.42Å; F147-Y179 PolarHBondContact N-O 3.15Å; F147-Y179 PolarHBondContact O-N 3.39Å; F149-Y179 HydrophobicContact CB-CE2 4.24Å; D177-Y179 HydrophobicContact CB-CD2 4.45Å; D177-Y179 HydrophobicContact CB-CE2 3.6Å; D177-Y179 WeakPolarHBondContact O-CD2 3.34Å
180	E	95	Very high	91	Very high	3 Å²	3	42.7 Å²	42.7	1%	0.014	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.2	-175.4	-61	-175.5	96.4	0	0	110.7	F102 K103 A146 S163 K170 L178 K182 I185	F102-E180 CarbonylContact C-O 3.07Å; F102-E180 VanDerWaalsContact CA-O 3.26Å; F102-E180 WeakPolarHBondContact CA-O 3.07Å; K103-E180 PolarHBondContact N-O 2.88Å; K103-E180 PolarHBondContact O-N 3.05Å; A146-E180 HydrophobicContact CB-CB 4.45Å; A146-E180 HydrophobicContact CB-CG 4.03Å; S163-E180 WeakPolarHBondContact CB-OE1 3.25Å; S163-E180 PolarHBondContact N-OE1 3.07Å; S163-E180 PolarHBondContact OG-OE1 2.99Å; K170-E180 WeakPolarHBondContact CE-OE2 3.17Å; K170-E180 IonicContact NZ-OE2 2.82Å; K170-E180 PolarHBondContact NZ-OE2 3.39Å; L178-E180 HydrophobicContact CD1-CG 3.84Å; L178-E180 HydrophobicContact CD2-CG 4.03Å; L178-E180 HydrophobicContact CG-CG 3.81Å; E180-K182 PolarHBondContact O-N 2.85Å; E180-I185 HydrophobicContact CB-CD1 3.92Å; E180-I185 HydrophobicContact CB-CG2 4.35Å
181	N	93.1	Very high	90.8	Very high	13 Å²	13	40.4 Å²	40.4	7%	0.07	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	122.3	-175	-179.5	-32.4	0	0	0	110.6	F102 K145 D183 Y184	F102-N181 HydrophobicContact CD1-CB 3.98Å; F102-N181 HydrophobicContact CE1-CB 3.74Å; F102-N181 HydrophobicContact CZ-CB 4.42Å; K145-N181 VanDerWaalsContact O-CB 3.32Å; K145-N181 WeakPolarHBondContact O-CB 3.36Å; K145-N181 PolarHBondContact O-N 3.34Å; N181-D183 VanDerWaalsContact C-N 3.26Å; N181-D183 PolarHBondContact O-N 2.98Å; N181-D183 WeakPolarHBondContact OD1-CB 3.17Å; N181-D183 PolarHBondContact OD1-N 3.02Å; N181-Y184 HydrophobicContact CB-CD2 4.09Å; N181-Y184 PolarHBondContact O-N 2.92Å; N181-Y184 VanDerWaalsContact O-N 3.07Å
182	K	90.9	Very high	90.9	Very high	4 Å²	4	40 Å²	40	2%	0.017	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-58.1	-33.8	-173.1	-70.3	171.5	-178.8	168	0	113.2	H100 E101 K103 E180 Y184 I185 R186 D284 D317 N318	H100-K182 PolarHBondContact O-NZ 2.73Å; E101-K182 WeakPolarHBondContact O-CG 2.98Å; E101-K182 PolarHBondContact O-N 2.04Å; K103-K182 HydrophobicContact CB-CG 4.39Å; E180-K182 PolarHBondContact O-N 2.85Å; K182-Y184 PolarHBondContact O-N 2.95Å; K182-I185 PolarHBondContact O-N 3.09Å; K182-R186 WeakPolarHBondContact O-CB 3.07Å; K182-R186 VanDerWaalsContact O-CG 3.3Å; K182-R186 WeakPolarHBondContact O-CG 3.08Å; K182-R186 PolarHBondContact O-N 3.17Å; K182-D284 IonicContact NZ-OD2 3.36Å; K182-D284 PolarHBondContact NZ-OD2 3.2Å; K182-D317 WeakPolarHBondContact CE-OD1 3.41Å; K182-D317 IonicContact NZ-OD1 3.93Å; K182-D317 PolarHBondContact NZ-OD1 3.44Å; K182-N318 VanDerWaalsContact NZ-CG 3.32Å; K182-N318 PolarHBondContact NZ-OD1 2.86Å
183	D	89.5	Confident	90.9	Very high	32 Å²	32	32.9 Å²	32.9	17%	0.171	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-57.8	-32.7	178.4	-72.1	-24.8	0	0	0	112.4	N181 S195 K197 G198	N181-D183 VanDerWaalsContact C-N 3.26Å; N181-D183 PolarHBondContact O-N 2.98Å; N181-D183 WeakPolarHBondContact OD1-CB 3.17Å; N181-D183 PolarHBondContact OD1-N 3.02Å; D183-S195 WeakPolarHBondContact CB-O 3.2Å; D183-S195 VanDerWaalsContact OD1-CB 3.26Å; D183-S195 WeakPolarHBondContact OD1-CB 3.41Å; D183-S195 PolarHBondContact OD1-OG 3.16Å; D183-K197 HydrophobicContact CB-CB 4.16Å; D183-K197 HydrophobicContact CB-CD 3.86Å; D183-K197 HydrophobicContact CB-CG 4.15Å; D183-K197 CarbonylContact O-C 3.49Å; D183-K197 VanDerWaalsContact O-C 3.26Å; D183-K197 VanDerWaalsContact O-CA 3.28Å; D183-K197 WeakPolarHBondContact O-CA 3.38Å; D183-K197 WeakPolarHBondContact O-CB 3.29Å; D183-K197 PolarHBondContact O-N 2.97Å; D183-K197 IonicContact OD2-NZ 2.85Å; D183-K197 PolarHBondContact OD2-NZ 2.85Å; D183-G198 PolarHBondContact O-N 3.43Å
184	Y	90.1	Very high	91	Very high	14 Å²	14	40 Å²	40	6%	0.055	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-95.9	-7.2	-174.8	-70.7	-72.8	0	0	0	114.6	T143 K145 N162 N181 K182 K197 D231	T143-Y184 WeakPolarHBondContact CG2-OH 3.23Å; K145-Y184 HydrophobicContact CB-CD2 4.26Å; K145-Y184 HydrophobicContact CD-CD1 4.02Å; K145-Y184 HydrophobicContact CD-CE1 4.19Å; K145-Y184 HydrophobicContact CD-CG 4.2Å; K145-Y184 HydrophobicContact CG-CD1 4.34Å; K145-Y184 HydrophobicContact CG-CD2 4Å; K145-Y184 HydrophobicContact CG-CE1 4.34Å; K145-Y184 HydrophobicContact CG-CE2 3.98Å; K145-Y184 HydrophobicContact CG-CG 4.19Å; N162-Y184 PolarHBondContact ND2-O 3.23Å; N181-Y184 HydrophobicContact CB-CD2 4.09Å; N181-Y184 PolarHBondContact O-N 2.92Å; N181-Y184 VanDerWaalsContact O-N 3.07Å; K182-Y184 PolarHBondContact O-N 2.95Å; Y184-K197 HydrophobicContact CD1-CB 3.44Å; Y184-K197 VanDerWaalsContact CD1-CB 3.44Å; Y184-K197 HydrophobicContact CD1-CD 4.3Å; Y184-K197 HydrophobicContact CD1-CG 4.46Å; Y184-K197 HydrophobicContact CD2-CD 4.37Å; Y184-K197 HydrophobicContact CE1-CB 3.49Å; Y184-K197 VanDerWaalsContact CE1-CB 3.49Å; Y184-K197 HydrophobicContact CE1-CD 3.71Å; Y184-K197 HydrophobicContact CE1-CG 4.1Å; Y184-K197 HydrophobicContact CE2-CD 3.82Å; Y184-K197 HydrophobicContact CG-CB 4.04Å; Y184-K197 VanDerWaalsContact CZ-CD 3.44Å; Y184-D231 PolarHBondContact OH-OD1 3.26Å
185	I	90.3	Very high	91.2	Very high	32 Å²	32	37.4 Å²	37.4	16%	0.164	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.3	-6.4	-177.1	62.2	166.4	0	0	0	113.9	K103 N162 M164 E180 K182	K103-I185 HydrophobicContact CB-CD1 3.62Å; K103-I185 HydrophobicContact CD-CD1 3.95Å; K103-I185 HydrophobicContact CG-CD1 4.36Å; N162-I185 HydrophobicContact CB-CG2 4.18Å; N162-I185 VanDerWaalsContact ND2-CG2 3.3Å; N162-I185 WeakPolarHBondContact ND2-CG2 3.46Å; M164-I185 HydrophobicContact SD-CB 4.27Å; M164-I185 HydrophobicContact SD-CG2 4.4Å; E180-I185 HydrophobicContact CB-CD1 3.92Å; E180-I185 HydrophobicContact CB-CG2 4.35Å; K182-I185 PolarHBondContact O-N 3.09Å
186	R	87.8	Confident	91.2	Very high	26 Å²	26	34.4 Å²	34.4	10%	0.098	18%	0.176	C	C	.	.			trans	-76.9	133.8	175.1	-83.8	177.3	154	154.9	-7.4	110.8	K182 C188 Y196 L282 D284	K182-R186 WeakPolarHBondContact O-CB 3.07Å; K182-R186 VanDerWaalsContact O-CG 3.3Å; K182-R186 WeakPolarHBondContact O-CG 3.08Å; K182-R186 PolarHBondContact O-N 3.17Å; R186-C188 VanDerWaalsContact C-N 3.26Å; R186-Y196 WeakPolarHBondContact O-CE2 3.39Å; R186-L282 PolarHBondContact NH2-O 3.14Å; R186-D284 IonicContact CZ-OD1 3.16Å; R186-D284 VanDerWaalsContact CZ-OD1 3.28Å; R186-D284 IonicContact NH1-OD1 3.64Å; R186-D284 PolarHBondContact NH1-OD1 2.87Å; R186-D284 IonicContact NH1-OD2 3.67Å; R186-D284 IonicContact NH2-OD1 2.71Å; R186-D284 PolarHBondContact NH2-OD1 2.81Å; R186-D284 IonicContact NH2-OD2 2.79Å
187	N	88.5	Confident	91.1	Very high	93 Å²	93	34.2 Å²	34.2	50%	0.497	18%	0.175	S	C	.	.	S	Bend	trans	-85.7	5.2	166.4	61.9	-28.9	0	0	0	112.8
188	C	91.8	Very high	90.9	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.014	17%	0.172	C	C	.	.	S	Bend	trans	-138.6	161.7	-173	64.2	0	0	0	0	112.2	R186 P264 C266 V269	R186-C188 VanDerWaalsContact C-N 3.26Å; C188-P264 CarbonylContact C-O 3.56Å; C188-P264 WeakPolarHBondContact CA-O 3.41Å; C188-P264 VanDerWaalsContact CB-O 3.25Å; C188-P264 WeakPolarHBondContact CB-O 3.34Å; C188-C266 VanDerWaalsContact C-SG 3.5Å; C188-C266 HydrophobicContact CB-CB 3.95Å; C188-C266 WeakPolarHBondContact CB-SG 3.32Å; C188-C266 VanDerWaalsContact SG-CA 3.55Å; C188-C266 WeakPolarHBondContact SG-CB 3.49Å; C188-C266 CovalentContact SG-SG 2.04Å; C188-C266 PolarHBondContact SG-SG 2.02Å; C188-V269 HydrophobicContact CB-CG2 3.5Å
189	I	92.1	Very high	90.7	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.041	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-108.1	158.5	178.7	58.8	172.6	0	0	0	112.2	Y196 P247 I263 P264 Q265 C266	I189-Y196 HydrophobicContact CG2-CD2 3.73Å; I189-Y196 HydrophobicContact CG2-CE2 4.46Å; I189-Y196 HydrophobicContact CG2-CG 3.94Å; I189-P247 HydrophobicContact CG2-CG 3.69Å; I189-I263 HydrophobicContact CB-CG2 4.5Å; I189-I263 HydrophobicContact CG1-CG2 4.5Å; I189-I263 HydrophobicContact CG2-CB 4.35Å; I189-I263 HydrophobicContact CG2-CG2 3.62Å; I189-P264 PolarHBondContact N-O 3.18Å; I189-Q265 CarbonylContact O-C 3.43Å; I189-Q265 WeakPolarHBondContact O-CA 3.31Å; I189-Q265 PolarHBondContact O-OE1 2.76Å; I189-C266 PolarHBondContact O-N 3.42Å; I189-C266 PolarHBondContact O-SG 3.03Å; I189-C266 VanDerWaalsContact O-SG 3.34Å
190	I	89.8	Confident	90.6	Very high	42 Å²	42	38.7 Å²	38.7	22%	0.215	21%	0.205	C	C	.	.	S	Bend	trans	-113.5	121.9	167.5	-58.1	-69.4	0	0	0	107.5	K192 G193 C266 M283 H285	I190-K192 PolarHBondContact O-N 2.8Å; I190-G193 PolarHBondContact O-N 2.78Å; I190-G193 VanDerWaalsContact O-N 3.07Å; I190-C266 HydrophobicContact CD1-CB 3.64Å; I190-M283 HydrophobicContact CD1-SD 3.61Å; I190-H285 HydrophobicContact CG2-CB 4.15Å
191	G	88.6	Confident	90.6	Very high	44 Å²	44	40.1 Å²	40.1	45%	0.454	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	-126.9	-176.9	0	0	0	0	0	110.8	G193 Q265	G191-G193 PolarHBondContact O-N 3.48Å; G191-G193 VanDerWaalsContact O-N 3.15Å; G191-Q265 PolarHBondContact O-NE2 2.85Å; G191-Q265 PolarHBondContact O-OE1 3.44Å
192	K	90.8	Very high	90.6	Very high	88 Å²	88	43.8 Å²	43.8	38%	0.383	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-2.3	-179.4	-49.8	-165.8	-170.3	-168.1	0	114.6	I190 R194 N239 G242 E244	I190-K192 PolarHBondContact O-N 2.8Å; K192-R194 VanDerWaalsContact C-N 3.31Å; K192-R194 PolarHBondContact O-N 3.12Å; K192-N239 PolarHBondContact O-ND2 3.09Å; K192-G242 VanDerWaalsContact CD-O 3.27Å; K192-G242 WeakPolarHBondContact CD-O 3.08Å; K192-E244 WeakPolarHBondContact CD-OE2 3.42Å; K192-E244 WeakPolarHBondContact CE-OE1 3.07Å; K192-E244 WeakPolarHBondContact CE-OE2 3.5Å; K192-E244 IonicContact NZ-OE1 3.42Å; K192-E244 PolarHBondContact NZ-OE1 3.3Å; K192-E244 IonicContact NZ-OE2 3.7Å; K192-E244 PolarHBondContact NZ-OE2 3.2Å; K192-E244 VanDerWaalsContact NZ-OE2 3.16Å
193	G	90.3	Very high	90.9	Very high	3 Å²	3	43.9 Å²	43.9	3%	0.031	24%	0.235	C	C	.	.			trans	70.5	20.7	178.9	0	0	0	0	0	115.1	I190 G191 S195 Y196	I190-G193 PolarHBondContact O-N 2.78Å; I190-G193 VanDerWaalsContact O-N 3.07Å; G191-G193 PolarHBondContact O-N 3.48Å; G191-G193 VanDerWaalsContact O-N 3.15Å; G193-S195 PolarHBondContact O-N 3.27Å; G193-S195 VanDerWaalsContact O-N 3.09Å; G193-Y196 WeakPolarHBondContact O-CB 3.36Å; G193-Y196 PolarHBondContact O-N 2.85Å
194	R	89.5	Confident	91.1	Very high	163 Å²	163	49.1 Å²	49.1	62%	0.615	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.8	-174.9	-156.2	-170.8	-165.3	-152.8	8.8	114.9	K192 R241	K192-R194 VanDerWaalsContact C-N 3.31Å; K192-R194 PolarHBondContact O-N 3.12Å; R194-R241 PolarHBondContact NE-O 3.2Å; R194-R241 PolarHBondContact NH2-O 3.02Å
195	S	88.3	Confident	91.3	Very high	64 Å²	64	52.6 Å²	52.6	45%	0.448	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-3	174.1	76.9	0	0	0	0	114	D183 G193 K197	D183-S195 WeakPolarHBondContact CB-O 3.2Å; D183-S195 VanDerWaalsContact OD1-CB 3.26Å; D183-S195 WeakPolarHBondContact OD1-CB 3.41Å; D183-S195 PolarHBondContact OD1-OG 3.16Å; G193-S195 PolarHBondContact O-N 3.27Å; G193-S195 VanDerWaalsContact O-N 3.09Å; S195-K197 WeakPolarHBondContact O-CE 3.33Å; S195-K197 WeakPolarHBondContact O-CG 3.5Å; S195-K197 PolarHBondContact O-N 3.1Å
196	Y	90.6	Very high	91.5	Very high	12 Å²	12	53.8 Å²	53.8	5%	0.047	30%	0.302	C	S	.	.			trans	-61.2	127.5	-175.3	177.6	-92.8	0	0	0	111.7	R186 I189 G193 G198 V200 R238 P247 I263	R186-Y196 WeakPolarHBondContact O-CE2 3.39Å; I189-Y196 HydrophobicContact CG2-CD2 3.73Å; I189-Y196 HydrophobicContact CG2-CE2 4.46Å; I189-Y196 HydrophobicContact CG2-CG 3.94Å; G193-Y196 WeakPolarHBondContact O-CB 3.36Å; G193-Y196 PolarHBondContact O-N 2.85Å; Y196-G198 VanDerWaalsContact CZ-CA 3.48Å; Y196-G198 WeakPolarHBondContact OH-CA 3.28Å; Y196-V200 WeakPolarHBondContact OH-CG2 3.33Å; Y196-R238 WeakPolarHBondContact O-CD 3.46Å; Y196-P247 HydrophobicContact CD1-CB 4.45Å; Y196-P247 HydrophobicContact CD1-CG 4.22Å; Y196-P247 HydrophobicContact CG-CG 4.33Å; Y196-I263 HydrophobicContact CD1-CD1 4.33Å; Y196-I263 HydrophobicContact CD2-CG2 4.5Å; Y196-I263 HydrophobicContact CE1-CD1 3.78Å; Y196-I263 HydrophobicContact CE2-CD1 4.49Å; Y196-I263 HydrophobicContact CE2-CG2 4.02Å
197	K	91.3	Very high	91.9	Very high	46 Å²	46	54 Å²	54	20%	0.2	31%	0.305	C	S	.	.			trans	-131.8	18.3	-179.9	-60.6	167.2	-158.4	145.2	0	113.2	D183 Y184 S195 D231 R238	D183-K197 HydrophobicContact CB-CB 4.16Å; D183-K197 HydrophobicContact CB-CD 3.86Å; D183-K197 HydrophobicContact CB-CG 4.15Å; D183-K197 CarbonylContact O-C 3.49Å; D183-K197 VanDerWaalsContact O-C 3.26Å; D183-K197 VanDerWaalsContact O-CA 3.28Å; D183-K197 WeakPolarHBondContact O-CA 3.38Å; D183-K197 WeakPolarHBondContact O-CB 3.29Å; D183-K197 PolarHBondContact O-N 2.97Å; D183-K197 IonicContact OD2-NZ 2.85Å; D183-K197 PolarHBondContact OD2-NZ 2.85Å; Y184-K197 HydrophobicContact CD1-CB 3.44Å; Y184-K197 VanDerWaalsContact CD1-CB 3.44Å; Y184-K197 HydrophobicContact CD1-CD 4.3Å; Y184-K197 HydrophobicContact CD1-CG 4.46Å; Y184-K197 HydrophobicContact CD2-CD 4.37Å; Y184-K197 HydrophobicContact CE1-CB 3.49Å; Y184-K197 VanDerWaalsContact CE1-CB 3.49Å; Y184-K197 HydrophobicContact CE1-CD 3.71Å; Y184-K197 HydrophobicContact CE1-CG 4.1Å; Y184-K197 HydrophobicContact CE2-CD 3.82Å; Y184-K197 HydrophobicContact CG-CB 4.04Å; Y184-K197 VanDerWaalsContact CZ-CD 3.44Å; S195-K197 WeakPolarHBondContact O-CE 3.33Å; S195-K197 WeakPolarHBondContact O-CG 3.5Å; S195-K197 PolarHBondContact O-N 3.1Å; K197-D231 HydrophobicContact CD-CB 3.97Å; K197-D231 HydrophobicContact CG-CB 3.81Å; K197-R238 VanDerWaalsContact CA-CZ 3.49Å; K197-R238 PolarHBondContact O-NH2 3.1Å; K197-R238 VanDerWaalsContact O-NH2 3.16Å
198	G	90.1	Very high	92.3	Very high	3 Å²	3	56 Å²	56	3%	0.031	31%	0.309	C	S	.	.			trans	-66.2	179.8	174	0	0	0	0	0	113	D183 Y196 R238	D183-G198 PolarHBondContact O-N 3.43Å; Y196-G198 VanDerWaalsContact CZ-CA 3.48Å; Y196-G198 WeakPolarHBondContact OH-CA 3.28Å; G198-R238 PolarHBondContact O-NH1 3.49Å
199	T	91.4	Very high	92.5	Very high	72 Å²	72	56 Å²	56	44%	0.442	31%	0.31	S	S	.	.			trans	-105.9	15	-166.1	55.3	0	0	0	0	114.7	S201 Y236	T199-S201 PolarHBondContact O-N 3.07Å; T199-Y236 VanDerWaalsContact C-CD1 3.47Å; T199-Y236 VanDerWaalsContact CA-CD1 3.45Å; T199-Y236 HydrophobicContact CG2-CE1 4.08Å; T199-Y236 VanDerWaalsContact O-CD1 3.26Å; T199-Y236 WeakPolarHBondContact O-CD1 3.43Å; T199-Y236 WeakPolarHBondContact O-CE1 3.06Å
200	V	92.7	Very high	92.7	Very high	49 Å²	49	55.9 Å²	55.9	30%	0.297	31%	0.308	S	S	.	.			trans	-63.8	131	173	175.4	0	0	0	0	109.2	Y196 Y236 C237 C261 I263	Y196-V200 WeakPolarHBondContact OH-CG2 3.33Å; V200-Y236 CarbonylContact O-C 3.42Å; V200-Y236 VanDerWaalsContact O-CA 3.27Å; V200-Y236 WeakPolarHBondContact O-CA 3.32Å; V200-C237 PolarHBondContact O-N 2.91Å; V200-C237 PolarHBondContact O-SG 2.73Å; V200-C237 VanDerWaalsContact O-SG 3.36Å; V200-C261 HydrophobicContact CG1-CB 4.22Å; V200-I263 HydrophobicContact CB-CD1 4.11Å; V200-I263 HydrophobicContact CB-CG1 4.24Å; V200-I263 HydrophobicContact CG1-CD1 4.2Å; V200-I263 HydrophobicContact CG1-CG1 4.07Å; V200-I263 HydrophobicContact CG2-CD1 4.5Å; V200-I263 HydrophobicContact CG2-CG1 4.24Å
201	S	94.6	Very high	93.1	Very high	32 Å²	32	56.3 Å²	56.3	22%	0.224	31%	0.314	C	S	.	.			trans	-142.2	27	-172.5	52.6	0	0	0	0	112.6	T199 C209 N235	T199-S201 PolarHBondContact O-N 3.07Å; S201-C209 WeakPolarHBondContact O-CB 3.46Å; S201-C209 PolarHBondContact O-N 3.27Å; S201-C209 PolarHBondContact O-SG 3.02Å; S201-C209 VanDerWaalsContact O-SG 3.39Å; S201-N235 VanDerWaalsContact CB-OD1 3.22Å; S201-N235 WeakPolarHBondContact CB-OD1 3.32Å
202	I	95.1	Very high	93.3	Very high	91 Å²	91	54.3 Å²	54.3	47%	0.467	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-135.3	139.7	179	-56.4	179.6	0	0	0	107.1	G206 I207 C261	I202-G206 VanDerWaalsContact CG2-C 3.42Å; I202-G206 WeakPolarHBondContact CG2-O 3.14Å; I202-I207 CarbonylContact C-O 3.47Å; I202-I207 WeakPolarHBondContact CA-O 3.35Å; I202-C261 WeakPolarHBondContact O-CB 3.37Å
203	T	95.8	Very high	93.4	Very high	6 Å²	6	54.2 Å²	54.2	4%	0.037	30%	0.303	C	S	.	.			trans	-78.7	171.8	180	70.2	0	0	0	0	112.1	S205 G206 I207 T251 E259	T203-S205 VanDerWaalsContact C-N 3.27Å; T203-S205 PolarHBondContact O-N 2.8Å; T203-G206 PolarHBondContact O-N 2.78Å; T203-I207 HydrophobicContact CG2-CB 4.31Å; T203-I207 WeakPolarHBondContact CG2-O 3.5Å; T203-I207 PolarHBondContact N-O 3.38Å; T203-I207 WeakPolarHBondContact OG1-CB 3.35Å; T203-I207 PolarHBondContact OG1-N 2.61Å; T203-I207 PolarHBondContact OG1-O 3.27Å; T203-T251 HydrophobicContact CG2-CG2 3.87Å; T203-E259 WeakPolarHBondContact CB-OE2 3.3Å; T203-E259 HydrophobicContact CG2-CB 3.72Å; T203-E259 PolarHBondContact OG1-OE2 2.89Å
204	K	94.3	Very high	93.6	Very high	142 Å²	142	55.7 Å²	55.7	62%	0.617	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-40.4	174	174	-179.9	173.4	-179.8	0	112.7	G206 V260 D262	K204-G206 PolarHBondContact O-N 3.28Å; K204-V260 PolarHBondContact N-O 2.83Å; K204-D262 HydrophobicContact CB-CB 4.22Å; K204-D262 HydrophobicContact CG-CB 4.44Å
205	S	94.6	Very high	93.7	Very high	87 Å²	87	51.7 Å²	51.7	61%	0.608	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	14.4	177.7	-53	0	0	0	0	113.8	T203 I207 E259	T203-S205 VanDerWaalsContact C-N 3.27Å; T203-S205 PolarHBondContact O-N 2.8Å; S205-I207 VanDerWaalsContact C-N 3.29Å; S205-I207 PolarHBondContact O-N 3.4Å; S205-E259 VanDerWaalsContact CB-OE1 3.24Å; S205-E259 WeakPolarHBondContact CB-OE1 3.35Å; S205-E259 WeakPolarHBondContact CB-OE2 3.24Å; S205-E259 PolarHBondContact N-OE1 2.76Å; S205-E259 PolarHBondContact OG-OE1 2.87Å
206	G	94.2	Very high	93.8	Very high	56 Å²	56	55 Å²	55	58%	0.577	31%	0.314	S	S	*	.	S	Bend	trans	77.5	7.3	177.8	0	0	0	0	0	115	I202 T203 K204	I202-G206 VanDerWaalsContact CG2-C 3.42Å; I202-G206 WeakPolarHBondContact CG2-O 3.14Å; T203-G206 PolarHBondContact O-N 2.78Å; K204-G206 PolarHBondContact O-N 3.28Å
207	I	95.8	Very high	93.9	Very high	32 Å²	32	56.9 Å²	56.9	16%	0.164	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-78.5	134.5	-178.1	-44.2	178.3	0	0	0	109.2	I202 T203 S205 N253 V256	I202-I207 CarbonylContact C-O 3.47Å; I202-I207 WeakPolarHBondContact CA-O 3.35Å; T203-I207 HydrophobicContact CG2-CB 4.31Å; T203-I207 WeakPolarHBondContact CG2-O 3.5Å; T203-I207 PolarHBondContact N-O 3.38Å; T203-I207 WeakPolarHBondContact OG1-CB 3.35Å; T203-I207 PolarHBondContact OG1-N 2.61Å; T203-I207 PolarHBondContact OG1-O 3.27Å; S205-I207 VanDerWaalsContact C-N 3.29Å; S205-I207 PolarHBondContact O-N 3.4Å; I207-N253 HydrophobicContact CD1-CB 4.48Å; I207-N253 HydrophobicContact CG2-CB 4.01Å; I207-V256 HydrophobicContact CD1-CB 3.99Å; I207-V256 HydrophobicContact CD1-CG1 4.1Å; I207-V256 HydrophobicContact CD1-CG2 3.93Å
208	K	96.8	Very high	94.1	Very high	134 Å²	134	55.5 Å²	55.5	58%	0.583	32%	0.322	S	S	*	.	B	Isolated β-bridge	trans	-68	139.3	176.5	-172.9	176.1	-179.9	179.4	0	110.5	S252	K208-S252 WeakPolarHBondContact O-CB 3.49Å; K208-S252 PolarHBondContact O-N 3.16Å; K208-S252 PolarHBondContact O-OG 3.16Å
209	C	97.3	Very high	94.2	Very high	3 Å²	3	62.5 Å²	62.5	2%	0.02	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-72	144.8	176.2	-65	0	0	0	0	112.7	S201 N235 C237 C249 F250	S201-C209 WeakPolarHBondContact O-CB 3.46Å; S201-C209 PolarHBondContact O-N 3.27Å; S201-C209 PolarHBondContact O-SG 3.02Å; S201-C209 VanDerWaalsContact O-SG 3.39Å; C209-N235 HydrophobicContact CB-CB 3.83Å; C209-N235 WeakPolarHBondContact CB-O 2.98Å; C209-N235 WeakPolarHBondContact O-CB 3.38Å; C209-N235 PolarHBondContact O-ND2 2.74Å; C209-C237 VanDerWaalsContact SG-SG 3.67Å; C209-C249 VanDerWaalsContact CA-SG 3.58Å; C209-C249 HydrophobicContact CB-CB 3.6Å; C209-C249 WeakPolarHBondContact CB-SG 3.36Å; C209-C249 WeakPolarHBondContact SG-CB 3.41Å; C209-C249 CovalentContact SG-SG 2.03Å; C209-C249 PolarHBondContact SG-SG 3.18Å; C209-F250 CarbonylContact C-O 3.13Å; C209-F250 WeakPolarHBondContact CA-O 3.36Å
210	Q	96.3	Very high	94.1	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.019	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-72.7	141.8	163.7	168.7	179.9	-33.2	0	0	110.2	S214 I216 P217 H218 H220 N235 F250	Q210-S214 PolarHBondContact NE2-O 2.82Å; Q210-I216 WeakPolarHBondContact CG-O 3.5Å; Q210-I216 PolarHBondContact OE1-O 2.84Å; Q210-P217 VanDerWaalsContact OE1-CD 3.25Å; Q210-H218 PolarHBondContact NE2-O 2.98Å; Q210-H220 PolarHBondContact NE2-NE2 3.38Å; Q210-N235 WeakPolarHBondContact O-CB 3.41Å; Q210-F250 HydrophobicContact CB-CB 4.03Å; Q210-F250 HydrophobicContact CG-CB 4.46Å; Q210-F250 PolarHBondContact N-O 3.07Å
211	P	96.1	Very high	94	Very high	52 Å²	52	60.9 Å²	60.9	34%	0.338	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-63.6	138.2	172.5	-21.1	32.9	0	0	0	112.6	S213 S214 E234 N235	P211-S213 PolarHBondContact O-N 3.1Å; P211-S213 VanDerWaalsContact O-N 3.07Å; P211-S214 WeakPolarHBondContact O-CB 3.34Å; P211-S214 PolarHBondContact O-N 3.06Å; P211-E234 CarbonylContact C-O 3.54Å; P211-E234 VanDerWaalsContact CA-O 3.3Å; P211-E234 WeakPolarHBondContact CA-O 3.44Å; P211-N235 HydrophobicContact CB-CB 4.39Å; P211-N235 HydrophobicContact CG-CB 4.28Å
212	W	94.3	Very high	93.6	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.008	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-14.6	177.3	-61.2	98.2	0	0	0	113.6	H220 F222 P224 L232 E234 Y236 R238 W248 C249 F250	W212-H220 PolarHBondContact O-CE1 3.44Å; W212-F222 HydrophobicContact CE3-CB 3.82Å; W212-F222 HydrophobicContact CZ3-CB 3.79Å; W212-F222 HydrophobicContact CZ3-CG 4.28Å; W212-P224 HydrophobicContact CB-CG 4.2Å; W212-P224 VanDerWaalsContact O-CD 3.3Å; W212-P224 WeakPolarHBondContact O-CD 3.42Å; W212-L232 HydrophobicContact CB-CB 3.92Å; W212-L232 HydrophobicContact CD2-CB 4.31Å; W212-L232 HydrophobicContact CD2-CD1 4.34Å; W212-L232 HydrophobicContact CD2-CD2 4.08Å; W212-L232 HydrophobicContact CD2-CG 4.46Å; W212-L232 HydrophobicContact CE3-CD1 4.15Å; W212-L232 HydrophobicContact CE3-CD2 4.34Å; W212-L232 HydrophobicContact CG-CB 3.84Å; W212-L232 HydrophobicContact CG-CD2 4.47Å; W212-L232 HydrophobicContact CG-CG 4.49Å; W212-L232 HydrophobicContact CZ2-CD2 4.45Å; W212-E234 PolarHBondContact N-O 3.43Å; W212-Y236 PolarHBondContact NE1-O 2.71Å; W212-R238 HydrophobicContact CZ2-CB 3.96Å; W212-R238 HydrophobicContact CZ2-CG 4.44Å; W212-W248 HydrophobicContact CH2-CD2 4.47Å; W212-W248 HydrophobicContact CH2-CE3 4.05Å; W212-W248 HydrophobicContact CH2-CH2 4.02Å; W212-W248 HydrophobicContact CH2-CZ2 4.45Å; W212-W248 AromaticContact CH2-CZ3 3.82Å; W212-W248 HydrophobicContact CH2-CZ3 3.82Å; W212-W248 WeakPolarHBondContact CZ2-O 3.24Å; W212-W248 HydrophobicContact CZ3-CH2 4.02Å; W212-W248 HydrophobicContact CZ3-CZ3 4.03Å; W212-C249 HydrophobicContact CZ2-CB 4.43Å; W212-F250 HydrophobicContact CE3-CD2 4.21Å; W212-F250 HydrophobicContact CE3-CE2 4.3Å; W212-F250 HydrophobicContact CH2-CD2 4.48Å; W212-F250 AromaticContact CZ3-CD2 3.85Å; W212-F250 HydrophobicContact CZ3-CD2 3.85Å; W212-F250 AromaticContact CZ3-CE2 3.76Å; W212-F250 HydrophobicContact CZ3-CE2 3.76Å
213	S	93.3	Very high	93.3	Very high	86 Å²	86	58 Å²	58	60%	0.601	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-11.4	171.9	50.1	0	0	0	0	114.1	P211	P211-S213 PolarHBondContact O-N 3.1Å; P211-S213 VanDerWaalsContact O-N 3.07Å
214	S	93.5	Very high	92.8	Very high	34 Å²	34	60.2 Å²	60.2	24%	0.238	34%	0.343	C	S	.	.			trans	-90	148.1	176.7	-172.3	0	0	0	0	110.8	Q210 P211 I216 H220	Q210-S214 PolarHBondContact NE2-O 2.82Å; P211-S214 WeakPolarHBondContact O-CB 3.34Å; P211-S214 PolarHBondContact O-N 3.06Å; S214-I216 PolarHBondContact OG-N 3.16Å; S214-I216 PolarHBondContact OG-O 2.69Å; S214-H220 PolarHBondContact O-CE1 2.89Å; S214-H220 PolarHBondContact O-NE2 2.88Å
215	M	91.7	Very high	92.2	Very high	78 Å²	78	57.2 Å²	57.2	38%	0.384	34%	0.339	S	S	.	.			trans	-104	6.5	165	-64.9	-61.3	-152.7	0	0	112.2	H218 E219 H220 L223	M215-H218 CarbonylContact C-O 3.58Å; M215-H218 CarbonylContact O-C 3.45Å; M215-E219 HydrophobicContact CB-CG 4.35Å; M215-E219 PolarHBondContact O-N 2.82Å; M215-E219 VanDerWaalsContact O-N 3.14Å; M215-H220 WeakPolarHBondContact CE-O 3.4Å; M215-H220 PolarHBondContact SD-N 3.15Å; M215-L223 HydrophobicContact CE-CD1 3.89Å; M215-L223 HydrophobicContact CE-CD2 3.89Å; M215-L223 HydrophobicContact CE-CG 4.11Å; M215-L223 HydrophobicContact SD-CD2 4.18Å
216	I	90.2	Very high	91.6	Very high	135 Å²	135	56.4 Å²	56.4	69%	0.692	33%	0.334	S	S	*	.	S	Bend	trans	-124.6	130.1	-172.4	-62.2	169.9	0	0	0	108.8	Q210 S214	Q210-I216 WeakPolarHBondContact CG-O 3.5Å; Q210-I216 PolarHBondContact OE1-O 2.84Å; S214-I216 PolarHBondContact OG-N 3.16Å; S214-I216 PolarHBondContact OG-O 2.69Å
217	P	92.8	Very high	90.9	Very high	51 Å²	51	56.5 Å²	56.5	33%	0.331	32%	0.317	S	S	.	.	S	Bend	cis	-73.6	-17.4	-1.3	28.9	-35.2	0	0	0	115.7	Q210 T251 P254	Q210-P217 VanDerWaalsContact OE1-CD 3.25Å; P217-T251 WeakPolarHBondContact CG-O 3.33Å; P217-P254 HydrophobicContact CB-CB 4.45Å; P217-P254 HydrophobicContact CB-CG 4.12Å
218	H	94.6	Very high	89.9	Confident	16 Å²	16	65 Å²	65	7%	0.074	35%	0.347	C	S	.	.	S	Bend	trans	-111.5	112.8	-172.1	-65.3	-63.6	0	0	0	113.7	Q210 M215 H220 F250 T251 N253 P254 V256 R257	Q210-H218 PolarHBondContact NE2-O 2.98Å; M215-H218 CarbonylContact C-O 3.58Å; M215-H218 CarbonylContact O-C 3.45Å; H218-H220 PolarHBondContact O-CD2 2.86Å; H218-F250 HydrophobicContact CB-CB 4.49Å; H218-F250 HydrophobicContact CB-CD1 3.97Å; H218-T251 PolarHBondContact CD2-O 3.47Å; H218-T251 VanDerWaalsContact CD2-O 3.32Å; H218-N253 PolarHBondContact NE2-O 3.34Å; H218-P254 PolarHBondContact CE1-O 3.27Å; H218-P254 VanDerWaalsContact CE1-O 3.28Å; H218-V256 PolarHBondContact NE2-O 3.08Å; H218-R257 HydrophobicContact CB-CG 4.44Å; H218-R257 PolarHBondContact CD2-O 2.8Å; H218-R257 VanDerWaalsContact CE1-CA 3.48Å; H218-R257 WeakPolarHBondContact CE1-CA 3.14Å
219	E	92.1	Very high	88.8	Confident	151 Å²	151	62.5 Å²	62.5	71%	0.706	36%	0.359	S	S	*	.			trans	-65.2	136.7	171	-60.1	-163.7	151	0	0	111.3	M215 R257	M215-E219 HydrophobicContact CB-CG 4.35Å; M215-E219 PolarHBondContact O-N 2.82Å; M215-E219 VanDerWaalsContact O-N 3.14Å; E219-R257 PolarHBondContact O-NH1 3.11Å; E219-R257 PolarHBondContact O-NH2 3.48Å
220	H	90.6	Very high	88.1	Confident	12 Å²	12	65.6 Å²	65.6	6%	0.056	37%	0.372	C	S	.	.			trans	-157.4	153.5	-177	59	45.6	0	0	0	114.9	Q210 W212 S214 M215 H218 F222 F250	Q210-H220 PolarHBondContact NE2-NE2 3.38Å; W212-H220 PolarHBondContact O-CE1 3.44Å; S214-H220 PolarHBondContact O-CE1 2.89Å; S214-H220 PolarHBondContact O-NE2 2.88Å; M215-H220 WeakPolarHBondContact CE-O 3.4Å; M215-H220 PolarHBondContact SD-N 3.15Å; H218-H220 PolarHBondContact O-CD2 2.86Å; H220-F222 VanDerWaalsContact C-N 3.31Å; H220-F222 PolarHBondContact O-N 2.94Å; H220-F250 HydrophobicContact CB-CD1 4.46Å; H220-F250 HydrophobicContact CB-CD2 4.35Å; H220-F250 HydrophobicContact CB-CE1 3.81Å; H220-F250 HydrophobicContact CB-CE2 3.65Å; H220-F250 HydrophobicContact CB-CZ 3.37Å; H220-F250 AromaticContact CD2-CD1 3.89Å; H220-F250 AromaticContact CD2-CD2 3.1Å; H220-F250 WeakPolarHBondContact CD2-CD2 3.48Å; H220-F250 AromaticContact CD2-CE2 3.28Å; H220-F250 WeakPolarHBondContact CD2-CE2 3.36Å; H220-F250 AromaticContact CD2-CG 3.44Å; H220-F250 VanDerWaalsContact CD2-CG 3.44Å; H220-F250 WeakPolarHBondContact CD2-CG 3.49Å; H220-F250 AromaticContact CD2-CZ 3.79Å; H220-F250 AromaticContact CG-CD2 3.88Å; H220-F250 AromaticContact CG-CE2 3.55Å; H220-F250 AromaticContact CG-CZ 3.82Å; H220-F250 AromaticContact NE2-CD2 3.68Å
221	S	89.4	Confident	87.5	Confident	74 Å²	74	66.4 Å²	66.4	52%	0.517	38%	0.377	S	S	.	.	S	Bend	trans	-79	-7.3	177.1	56.5	0	0	0	0	114.8	L223 S226 Y227	S221-L223 PolarHBondContact O-N 2.86Å; S221-S226 PolarHBondContact O-OG 2.94Å; S221-Y227 WeakPolarHBondContact O-CE2 3.41Å
222	F	87.3	Confident	87.2	Confident	17 Å²	17	64.5 Å²	64.5	8%	0.075	36%	0.364	C	S	.	.			trans	-81.2	48.1	-173.1	-66.4	-87.9	0	0	0	114	W212 H220 Y227 L232 P240 R241 W248 F250	W212-F222 HydrophobicContact CE3-CB 3.82Å; W212-F222 HydrophobicContact CZ3-CB 3.79Å; W212-F222 HydrophobicContact CZ3-CG 4.28Å; H220-F222 VanDerWaalsContact C-N 3.31Å; H220-F222 PolarHBondContact O-N 2.94Å; F222-Y227 HydrophobicContact CB-CD2 4.5Å; F222-Y227 HydrophobicContact CD1-CD1 4.3Å; F222-Y227 HydrophobicContact CD1-CD2 4.18Å; F222-Y227 AromaticContact CD1-CE1 3.93Å; F222-Y227 HydrophobicContact CD1-CE1 3.93Å; F222-Y227 AromaticContact CD1-CE2 3.81Å; F222-Y227 HydrophobicContact CD1-CE2 3.81Å; F222-Y227 HydrophobicContact CD1-CG 4.42Å; F222-Y227 AromaticContact CD1-CZ 3.66Å; F222-Y227 AromaticContact CE1-CE1 3.98Å; F222-Y227 HydrophobicContact CE1-CE1 3.98Å; F222-Y227 HydrophobicContact CE1-CE2 4.4Å; F222-Y227 AromaticContact CE1-CZ 3.8Å; F222-Y227 HydrophobicContact CG-CE2 4.24Å; F222-L232 HydrophobicContact CB-CD1 4.43Å; F222-L232 WeakPolarHBondContact O-CD1 3.44Å; F222-P240 HydrophobicContact CD1-CB 4.14Å; F222-P240 HydrophobicContact CD1-CG 3.76Å; F222-P240 HydrophobicContact CE1-CB 4.16Å; F222-P240 HydrophobicContact CE1-CG 3.59Å; F222-R241 HydrophobicContact CE1-CG 4.21Å; F222-R241 VanDerWaalsContact CZ-CZ 3.49Å; F222-W248 AromaticContact CD2-CH2 3.99Å; F222-W248 HydrophobicContact CD2-CH2 3.99Å; F222-W248 HydrophobicContact CE1-CH2 4.36Å; F222-W248 HydrophobicContact CE1-CZ2 4.19Å; F222-W248 AromaticContact CE2-CH2 3.75Å; F222-W248 HydrophobicContact CE2-CH2 3.75Å; F222-W248 HydrophobicContact CE2-CZ2 4.23Å; F222-W248 HydrophobicContact CG-CH2 4.36Å; F222-W248 AromaticContact CZ-CH2 3.93Å; F222-W248 HydrophobicContact CZ-CH2 3.93Å; F222-W248 AromaticContact CZ-CZ2 3.92Å; F222-W248 HydrophobicContact CZ-CZ2 3.92Å; F222-F250 HydrophobicContact CB-CE2 4.26Å; F222-F250 AromaticContact CD2-CE2 3.82Å; F222-F250 HydrophobicContact CD2-CE2 3.82Å; F222-F250 AromaticContact CD2-CZ 3.79Å; F222-F250 HydrophobicContact CD2-CZ 3.79Å; F222-F250 HydrophobicContact CE2-CZ 4.24Å; F222-F250 HydrophobicContact CG-CE2 4.37Å
223	L	87.5	Confident	86.8	Confident	46 Å²	46	67 Å²	67	24%	0.241	38%	0.375	C	S	.	.			trans	-76.1	143.6	179	-62.8	176.8	0	0	0	112	M215 S221 S225 S226 Y227	M215-L223 HydrophobicContact CE-CD1 3.89Å; M215-L223 HydrophobicContact CE-CD2 3.89Å; M215-L223 HydrophobicContact CE-CG 4.11Å; M215-L223 HydrophobicContact SD-CD2 4.18Å; S221-L223 PolarHBondContact O-N 2.86Å; L223-S225 PolarHBondContact O-N 3.01Å; L223-S225 VanDerWaalsContact O-N 3.12Å; L223-S226 PolarHBondContact O-N 3.45Å; L223-S226 PolarHBondContact O-OG 2.87Å; L223-Y227 PolarHBondContact O-N 2.75Å
224	P	86.3	Confident	86.7	Confident	53 Å²	53	68.6 Å²	68.6	34%	0.344	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.7	176.4	-23.8	32.1	0	0	0	114.1	W212 L232	W212-P224 HydrophobicContact CB-CG 4.2Å; W212-P224 VanDerWaalsContact O-CD 3.3Å; W212-P224 WeakPolarHBondContact O-CD 3.42Å; P224-L232 HydrophobicContact CB-CB 4.34Å; P224-L232 HydrophobicContact CG-CB 4.05Å; P224-L232 VanDerWaalsContact CG-O 3.29Å; P224-L232 WeakPolarHBondContact CG-O 3.32Å
225	S	82.4	Confident	86.8	Confident	79 Å²	79	68 Å²	68	55%	0.552	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-31.5	176.6	52.6	0	0	0	0	113.6	L223 R228	L223-S225 PolarHBondContact O-N 3.01Å; L223-S225 VanDerWaalsContact O-N 3.12Å; S225-R228 WeakPolarHBondContact O-CG 3.44Å; S225-R228 PolarHBondContact O-NE 3.39Å; S225-R228 VanDerWaalsContact O-NE 3.1Å
226	S	80.3	Confident	86.9	Confident	70 Å²	70	67 Å²	67	49%	0.49	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-46.5	-176.6	64.4	0	0	0	0	111.9	S221 L223 R228	S221-S226 PolarHBondContact O-OG 2.94Å; L223-S226 PolarHBondContact O-N 3.45Å; L223-S226 PolarHBondContact O-OG 2.87Å; S226-R228 PolarHBondContact O-N 2.72Å
227	Y	79.4	Confident	87.1	Confident	58 Å²	58	60.5 Å²	60.5	23%	0.227	33%	0.327	C	S	.	.	S	Bend	trans	-85.8	54.6	176.1	-75.7	-98.1	0	0	0	112	S221 F222 L223 G229 K230 R241	S221-Y227 WeakPolarHBondContact O-CE2 3.41Å; F222-Y227 HydrophobicContact CB-CD2 4.5Å; F222-Y227 HydrophobicContact CD1-CD1 4.3Å; F222-Y227 HydrophobicContact CD1-CD2 4.18Å; F222-Y227 AromaticContact CD1-CE1 3.93Å; F222-Y227 HydrophobicContact CD1-CE1 3.93Å; F222-Y227 AromaticContact CD1-CE2 3.81Å; F222-Y227 HydrophobicContact CD1-CE2 3.81Å; F222-Y227 HydrophobicContact CD1-CG 4.42Å; F222-Y227 AromaticContact CD1-CZ 3.66Å; F222-Y227 AromaticContact CE1-CE1 3.98Å; F222-Y227 HydrophobicContact CE1-CE1 3.98Å; F222-Y227 HydrophobicContact CE1-CE2 4.4Å; F222-Y227 AromaticContact CE1-CZ 3.8Å; F222-Y227 HydrophobicContact CG-CE2 4.24Å; L223-Y227 PolarHBondContact O-N 2.75Å; Y227-G229 PolarHBondContact O-N 2.82Å; Y227-K230 HydrophobicContact CD1-CG 4.34Å; Y227-K230 WeakPolarHBondContact O-CB 3.3Å; Y227-K230 WeakPolarHBondContact O-CG 3.18Å; Y227-K230 PolarHBondContact O-N 3.43Å; Y227-K230 VanDerWaalsContact O-N 3.17Å; Y227-R241 PolarHBondContact OH-NH2 3.37Å; Y227-R241 VanDerWaalsContact OH-NH2 3.14Å
228	R	76	Confident	87.2	Confident	210 Å²	210	58.4 Å²	58.4	79%	0.792	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	136.4	-179.3	-61.8	-173.1	-176.7	-171.3	0.1	111.3	S225 S226 K230	S225-R228 WeakPolarHBondContact O-CG 3.44Å; S225-R228 PolarHBondContact O-NE 3.39Å; S225-R228 VanDerWaalsContact O-NE 3.1Å; S226-R228 PolarHBondContact O-N 2.72Å; R228-K230 VanDerWaalsContact C-N 3.32Å; R228-K230 PolarHBondContact O-N 2.04Å
229	G	73.9	Confident	87.2	Confident	81 Å²	81	57.9 Å²	57.9	84%	0.835	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	2.3	-178.5	0	0	0	0	0	115.5	Y227	Y227-G229 PolarHBondContact O-N 2.82Å
230	K	81.4	Confident	87	Confident	69 Å²	69	50.8 Å²	50.8	30%	0.3	28%	0.277	S	S	.	.	S	Bend	trans	-90.2	3	174.5	-61.9	-64.2	-177	163.4	0	115	Y227 R228 L232 P240	Y227-K230 HydrophobicContact CD1-CG 4.34Å; Y227-K230 WeakPolarHBondContact O-CB 3.3Å; Y227-K230 WeakPolarHBondContact O-CG 3.18Å; Y227-K230 PolarHBondContact O-N 3.43Å; Y227-K230 VanDerWaalsContact O-N 3.17Å; R228-K230 VanDerWaalsContact C-N 3.32Å; R228-K230 PolarHBondContact O-N 2.04Å; K230-L232 VanDerWaalsContact C-N 3.26Å; K230-L232 HydrophobicContact CB-CD2 4.16Å; K230-L232 HydrophobicContact CB-CG 4.07Å; K230-L232 PolarHBondContact O-N 2.88Å; K230-P240 WeakPolarHBondContact CE-O 3.49Å; K230-P240 PolarHBondContact NZ-O 2.85Å
231	D	84.4	Confident	86.9	Confident	21 Å²	21	56.6 Å²	56.6	11%	0.112	30%	0.298	C	S	.	.			trans	53.4	39.8	177.6	-157.8	80.3	0	0	0	113.5	Y184 K197 Q233 R238	Y184-D231 PolarHBondContact OH-OD1 3.26Å; K197-D231 HydrophobicContact CD-CB 3.97Å; K197-D231 HydrophobicContact CG-CB 3.81Å; D231-Q233 PolarHBondContact O-N 2.81Å; D231-Q233 PolarHBondContact OD1-NE2 3.24Å; D231-Q233 PolarHBondContact OD2-NE2 3.32Å; D231-R238 PolarHBondContact O-NE 3.37Å; D231-R238 PolarHBondContact O-NH2 2.76Å; D231-R238 IonicContact OD2-CZ 3.36Å; D231-R238 IonicContact OD2-NE 3.49Å; D231-R238 IonicContact OD2-NH2 2.78Å; D231-R238 PolarHBondContact OD2-NH2 3.14Å
232	L	89.8	Confident	86.7	Confident	12 Å²	12	54.1 Å²	54.1	6%	0.063	28%	0.284	C	S	.	.			trans	-72.2	71.2	175.1	-54.3	-172.5	0	0	0	109.8	W212 F222 P224 K230 R238	W212-L232 HydrophobicContact CB-CB 3.92Å; W212-L232 HydrophobicContact CD2-CB 4.31Å; W212-L232 HydrophobicContact CD2-CD1 4.34Å; W212-L232 HydrophobicContact CD2-CD2 4.08Å; W212-L232 HydrophobicContact CD2-CG 4.46Å; W212-L232 HydrophobicContact CE3-CD1 4.15Å; W212-L232 HydrophobicContact CE3-CD2 4.34Å; W212-L232 HydrophobicContact CG-CB 3.84Å; W212-L232 HydrophobicContact CG-CD2 4.47Å; W212-L232 HydrophobicContact CG-CG 4.49Å; W212-L232 HydrophobicContact CZ2-CD2 4.45Å; F222-L232 HydrophobicContact CB-CD1 4.43Å; F222-L232 WeakPolarHBondContact O-CD1 3.44Å; P224-L232 HydrophobicContact CB-CB 4.34Å; P224-L232 HydrophobicContact CG-CB 4.05Å; P224-L232 VanDerWaalsContact CG-O 3.29Å; P224-L232 WeakPolarHBondContact CG-O 3.32Å; K230-L232 VanDerWaalsContact C-N 3.26Å; K230-L232 HydrophobicContact CB-CD2 4.16Å; K230-L232 HydrophobicContact CB-CG 4.07Å; K230-L232 PolarHBondContact O-N 2.88Å; L232-R238 HydrophobicContact CD2-CB 3.84Å; L232-R238 HydrophobicContact CD2-CG 3.84Å
233	Q	86.4	Confident	86.8	Confident	54 Å²	54	55.7 Å²	55.7	25%	0.252	29%	0.292	S	S	.	.			trans	-91.5	140.8	177.4	-62.7	-175.7	28.4	0	0	109.6	K145 D231 N235 Y236	K145-Q233 VanDerWaalsContact NZ-OE1 3.14Å; D231-Q233 PolarHBondContact O-N 2.81Å; D231-Q233 PolarHBondContact OD1-NE2 3.24Å; D231-Q233 PolarHBondContact OD2-NE2 3.32Å; Q233-N235 PolarHBondContact O-N 2.92Å; Q233-Y236 HydrophobicContact CB-CD2 3.94Å; Q233-Y236 HydrophobicContact CB-CE2 4.16Å; Q233-Y236 WeakPolarHBondContact O-CD2 3.23Å; Q233-Y236 PolarHBondContact O-N 3.41Å
234	E	90.9	Very high	86.7	Confident	119 Å²	119	60.3 Å²	60.3	56%	0.556	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.1	-128	179	-49.4	-48.3	140.4	0	0	113.2	P211 W212 Y236	P211-E234 CarbonylContact C-O 3.54Å; P211-E234 VanDerWaalsContact CA-O 3.3Å; P211-E234 WeakPolarHBondContact CA-O 3.44Å; W212-E234 PolarHBondContact N-O 3.43Å; E234-Y236 HydrophobicContact CB-CD2 4.03Å; E234-Y236 HydrophobicContact CB-CE1 4.46Å; E234-Y236 HydrophobicContact CB-CE2 3.69Å; E234-Y236 HydrophobicContact CG-CD2 4.33Å; E234-Y236 HydrophobicContact CG-CE2 3.55Å
235	N	94.7	Very high	86.5	Confident	21 Å²	21	60.8 Å²	60.8	11%	0.112	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	24.5	172.8	69.9	-24.2	0	0	0	112	S201 C209 Q210 P211 Q233	S201-N235 VanDerWaalsContact CB-OD1 3.22Å; S201-N235 WeakPolarHBondContact CB-OD1 3.32Å; C209-N235 HydrophobicContact CB-CB 3.83Å; C209-N235 WeakPolarHBondContact CB-O 2.98Å; C209-N235 WeakPolarHBondContact O-CB 3.38Å; C209-N235 PolarHBondContact O-ND2 2.74Å; Q210-N235 WeakPolarHBondContact O-CB 3.41Å; P211-N235 HydrophobicContact CB-CB 4.39Å; P211-N235 HydrophobicContact CG-CB 4.28Å; Q233-N235 PolarHBondContact O-N 2.92Å
236	Y	94.5	Very high	87	Confident	57 Å²	57	57.2 Å²	57.2	22%	0.224	30%	0.302	C	S	.	.			trans	-73	142.3	-175.4	-54.8	-53.1	0	0	0	112	T199 V200 W212 Q233 E234 R238	T199-Y236 VanDerWaalsContact C-CD1 3.47Å; T199-Y236 VanDerWaalsContact CA-CD1 3.45Å; T199-Y236 HydrophobicContact CG2-CE1 4.08Å; T199-Y236 VanDerWaalsContact O-CD1 3.26Å; T199-Y236 WeakPolarHBondContact O-CD1 3.43Å; T199-Y236 WeakPolarHBondContact O-CE1 3.06Å; V200-Y236 CarbonylContact O-C 3.42Å; V200-Y236 VanDerWaalsContact O-CA 3.27Å; V200-Y236 WeakPolarHBondContact O-CA 3.32Å; W212-Y236 PolarHBondContact NE1-O 2.71Å; Q233-Y236 HydrophobicContact CB-CD2 3.94Å; Q233-Y236 HydrophobicContact CB-CE2 4.16Å; Q233-Y236 WeakPolarHBondContact O-CD2 3.23Å; Q233-Y236 PolarHBondContact O-N 3.41Å; E234-Y236 HydrophobicContact CB-CD2 4.03Å; E234-Y236 HydrophobicContact CB-CE1 4.46Å; E234-Y236 HydrophobicContact CB-CE2 3.69Å; E234-Y236 HydrophobicContact CG-CD2 4.33Å; E234-Y236 HydrophobicContact CG-CE2 3.55Å; Y236-R238 VanDerWaalsContact CB-NH1 3.34Å
237	C	94.7	Very high	87.7	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.279	C	S	.	.			trans	-63	136.1	179.4	-53.1	0	0	0	0	111.6	V200 C209 P247 W248 C261 I263	V200-C237 PolarHBondContact O-N 2.91Å; V200-C237 PolarHBondContact O-SG 2.73Å; V200-C237 VanDerWaalsContact O-SG 3.36Å; C209-C237 VanDerWaalsContact SG-SG 3.67Å; C237-P247 HydrophobicContact CB-CB 4.06Å; C237-W248 WeakPolarHBondContact CA-O 3.46Å; C237-C261 HydrophobicContact CB-CB 3.62Å; C237-C261 WeakPolarHBondContact CB-SG 3.42Å; C237-C261 WeakPolarHBondContact SG-CB 3.28Å; C237-C261 CovalentContact SG-SG 2.02Å; C237-C261 PolarHBondContact SG-SG 3.1Å; C237-I263 HydrophobicContact CB-CD1 4.09Å
238	R	94.8	Very high	88.4	Confident	6 Å²	6	52 Å²	52	2%	0.023	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-144.4	155.5	-176.4	-66.1	-66.6	-178.6	-98	8.6	110.5	Y196 K197 G198 W212 D231 L232 Y236 P240 W248	Y196-R238 WeakPolarHBondContact O-CD 3.46Å; K197-R238 VanDerWaalsContact CA-CZ 3.49Å; K197-R238 PolarHBondContact O-NH2 3.1Å; K197-R238 VanDerWaalsContact O-NH2 3.16Å; G198-R238 PolarHBondContact O-NH1 3.49Å; W212-R238 HydrophobicContact CZ2-CB 3.96Å; W212-R238 HydrophobicContact CZ2-CG 4.44Å; D231-R238 PolarHBondContact O-NE 3.37Å; D231-R238 PolarHBondContact O-NH2 2.76Å; D231-R238 IonicContact OD2-CZ 3.36Å; D231-R238 IonicContact OD2-NE 3.49Å; D231-R238 IonicContact OD2-NH2 2.78Å; D231-R238 PolarHBondContact OD2-NH2 3.14Å; L232-R238 HydrophobicContact CD2-CB 3.84Å; L232-R238 HydrophobicContact CD2-CG 3.84Å; Y236-R238 VanDerWaalsContact CB-NH1 3.34Å; R238-P240 WeakPolarHBondContact O-CD 3.05Å; R238-W248 PolarHBondContact N-O 2.66Å; R238-W248 PolarHBondContact O-N 3.21Å
239	N	93.4	Very high	89.4	Confident	5 Å²	5	42 Å²	42	3%	0.027	23%	0.234	C	C	.	.			trans	-114.9	82.4	170.3	-170.6	-24.7	0	0	0	109.3	K192 G242 E243 G246	K192-N239 PolarHBondContact O-ND2 3.09Å; N239-G242 WeakPolarHBondContact OD1-CA 3Å; N239-G242 PolarHBondContact OD1-N 2.99Å; N239-E243 PolarHBondContact ND2-O 2.81Å; N239-E243 PolarHBondContact OD1-N 3.02Å; N239-E243 PolarHBondContact OD1-OE2 2.78Å; N239-G246 PolarHBondContact ND2-O 3.01Å
240	P	89.9	Confident	90.5	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.013	20%	0.196	C	C	.	.	S	Bend	trans	-69.4	-37	-168.9	25.7	-33.7	0	0	0	113.6	F222 K230 R238 W248	F222-P240 HydrophobicContact CD1-CB 4.14Å; F222-P240 HydrophobicContact CD1-CG 3.76Å; F222-P240 HydrophobicContact CE1-CB 4.16Å; F222-P240 HydrophobicContact CE1-CG 3.59Å; K230-P240 WeakPolarHBondContact CE-O 3.49Å; K230-P240 PolarHBondContact NZ-O 2.85Å; R238-P240 WeakPolarHBondContact O-CD 3.05Å; P240-W248 HydrophobicContact CG-CZ2 3.75Å
241	R	87.6	Confident	91.2	Very high	134 Å²	134	35.2 Å²	35.2	51%	0.506	18%	0.181	S	C	.	.	S	Bend	trans	-92.2	-40.7	-179.2	-53.4	-176.4	167.8	164.9	-4.2	110.8	R194 F222 Y227 E243	R194-R241 PolarHBondContact NE-O 3.2Å; R194-R241 PolarHBondContact NH2-O 3.02Å; F222-R241 HydrophobicContact CE1-CG 4.21Å; F222-R241 VanDerWaalsContact CZ-CZ 3.49Å; Y227-R241 PolarHBondContact OH-NH2 3.37Å; Y227-R241 VanDerWaalsContact OH-NH2 3.14Å; R241-E243 WeakPolarHBondContact CB-OE1 3.29Å; R241-E243 WeakPolarHBondContact CB-OE2 3.26Å; R241-E243 VanDerWaalsContact CD-OE1 3.24Å; R241-E243 WeakPolarHBondContact CD-OE1 3.06Å; R241-E243 WeakPolarHBondContact CG-OE1 3.2Å; R241-E243 PolarHBondContact N-OE2 2.73Å
242	G	85.9	Confident	91.7	Very high	22 Å²	22	37.2 Å²	37.2	23%	0.227	20%	0.197	C	C	.	.			trans	115.1	33	-168.2	0	0	0	0	0	111.3	K192 N239	K192-G242 VanDerWaalsContact CD-O 3.27Å; K192-G242 WeakPolarHBondContact CD-O 3.08Å; N239-G242 WeakPolarHBondContact OD1-CA 3Å; N239-G242 PolarHBondContact OD1-N 2.99Å
243	E	87.6	Confident	92	Very high	50 Å²	50	38.8 Å²	38.8	23%	0.234	21%	0.206	C	C	.	.			trans	-57.2	151.2	177	-68.3	92.9	167.4	0	0	111.8	N239 R241 W248	N239-E243 PolarHBondContact ND2-O 2.81Å; N239-E243 PolarHBondContact OD1-N 3.02Å; N239-E243 PolarHBondContact OD1-OE2 2.78Å; R241-E243 WeakPolarHBondContact CB-OE1 3.29Å; R241-E243 WeakPolarHBondContact CB-OE2 3.26Å; R241-E243 VanDerWaalsContact CD-OE1 3.24Å; R241-E243 WeakPolarHBondContact CD-OE1 3.06Å; R241-E243 WeakPolarHBondContact CG-OE1 3.2Å; R241-E243 PolarHBondContact N-OE2 2.73Å; E243-W248 PolarHBondContact OE2-NE1 3.06Å
244	E	86.2	Confident	92.3	Very high	144 Å²	144	40.8 Å²	40.8	67%	0.673	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	156.4	167.9	-57.9	-61.4	176.1	0	0	110.6	K192 G246	K192-E244 WeakPolarHBondContact CD-OE2 3.42Å; K192-E244 WeakPolarHBondContact CE-OE1 3.07Å; K192-E244 WeakPolarHBondContact CE-OE2 3.5Å; K192-E244 IonicContact NZ-OE1 3.42Å; K192-E244 PolarHBondContact NZ-OE1 3.3Å; K192-E244 IonicContact NZ-OE2 3.7Å; K192-E244 PolarHBondContact NZ-OE2 3.2Å; K192-E244 VanDerWaalsContact NZ-OE2 3.16Å; E244-G246 VanDerWaalsContact C-N 3.35Å
245	G	82.8	Confident	92.5	Very high	63 Å²	63	43.2 Å²	43.2	65%	0.649	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.1	-10	-177.7	0	0	0	0	0	115
246	G	91.5	Very high	92.5	Very high	3 Å²	3	44.5 Å²	44.5	3%	0.031	24%	0.243	C	C	.	.			trans	95.5	-159.7	171	0	0	0	0	0	114.7	N239 E244	N239-G246 PolarHBondContact ND2-O 3.01Å; E244-G246 VanDerWaalsContact C-N 3.35Å
247	P	95.3	Very high	92.6	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.013	25%	0.253	C	S	.	.			trans	-67	138.5	177.5	-17.2	30.9	0	0	0	112.3	I189 Y196 C237 C261 I263	I189-P247 HydrophobicContact CG2-CG 3.69Å; Y196-P247 HydrophobicContact CD1-CB 4.45Å; Y196-P247 HydrophobicContact CD1-CG 4.22Å; Y196-P247 HydrophobicContact CG-CG 4.33Å; C237-P247 HydrophobicContact CB-CB 4.06Å; P247-C261 PolarHBondContact O-N 3.22Å; P247-I263 HydrophobicContact CB-CD1 3.96Å; P247-I263 HydrophobicContact CG-CD1 4Å
248	W	95.2	Very high	92.5	Very high	16 Å²	16	54.2 Å²	54.2	6%	0.061	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	172.8	-177.3	59	-92.3	0	0	0	110.4	W212 F222 C237 R238 P240 E243 F250 Y258 E259 V260	W212-W248 HydrophobicContact CH2-CD2 4.47Å; W212-W248 HydrophobicContact CH2-CE3 4.05Å; W212-W248 HydrophobicContact CH2-CH2 4.02Å; W212-W248 HydrophobicContact CH2-CZ2 4.45Å; W212-W248 AromaticContact CH2-CZ3 3.82Å; W212-W248 HydrophobicContact CH2-CZ3 3.82Å; W212-W248 WeakPolarHBondContact CZ2-O 3.24Å; W212-W248 HydrophobicContact CZ3-CH2 4.02Å; W212-W248 HydrophobicContact CZ3-CZ3 4.03Å; F222-W248 AromaticContact CD2-CH2 3.99Å; F222-W248 HydrophobicContact CD2-CH2 3.99Å; F222-W248 HydrophobicContact CE1-CH2 4.36Å; F222-W248 HydrophobicContact CE1-CZ2 4.19Å; F222-W248 AromaticContact CE2-CH2 3.75Å; F222-W248 HydrophobicContact CE2-CH2 3.75Å; F222-W248 HydrophobicContact CE2-CZ2 4.23Å; F222-W248 HydrophobicContact CG-CH2 4.36Å; F222-W248 AromaticContact CZ-CH2 3.93Å; F222-W248 HydrophobicContact CZ-CH2 3.93Å; F222-W248 AromaticContact CZ-CZ2 3.92Å; F222-W248 HydrophobicContact CZ-CZ2 3.92Å; C237-W248 WeakPolarHBondContact CA-O 3.46Å; R238-W248 PolarHBondContact N-O 2.66Å; R238-W248 PolarHBondContact O-N 3.21Å; P240-W248 HydrophobicContact CG-CZ2 3.75Å; E243-W248 PolarHBondContact OE2-NE1 3.06Å; W248-F250 AromaticContact CH2-CE2 3.73Å; W248-F250 HydrophobicContact CH2-CE2 3.73Å; W248-F250 AromaticContact CH2-CZ 3.9Å; W248-F250 HydrophobicContact CH2-CZ 3.9Å; W248-F250 AromaticContact CZ3-CD2 3.83Å; W248-F250 HydrophobicContact CZ3-CD2 3.83Å; W248-F250 HydrophobicContact CZ3-CE1 4.34Å; W248-F250 AromaticContact CZ3-CE2 3.46Å; W248-F250 HydrophobicContact CZ3-CE2 3.46Å; W248-F250 VanDerWaalsContact CZ3-CE2 3.46Å; W248-F250 HydrophobicContact CZ3-CG 4.42Å; W248-F250 AromaticContact CZ3-CZ 3.72Å; W248-F250 HydrophobicContact CZ3-CZ 3.72Å; W248-Y258 HydrophobicContact CE3-CD2 4.21Å; W248-Y258 HydrophobicContact CE3-CG 4.46Å; W248-E259 WeakPolarHBondContact CA-O 3.3Å; W248-E259 VanDerWaalsContact CB-O 3.28Å; W248-E259 WeakPolarHBondContact CB-O 3.39Å; W248-V260 HydrophobicContact CB-CG1 4.35Å
249	C	96.4	Very high	92.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	160.6	170.2	68.6	0	0	0	0	111.1	C209 W212 Y258 E259	C209-C249 VanDerWaalsContact CA-SG 3.58Å; C209-C249 HydrophobicContact CB-CB 3.6Å; C209-C249 WeakPolarHBondContact CB-SG 3.36Å; C209-C249 WeakPolarHBondContact SG-CB 3.41Å; C209-C249 CovalentContact SG-SG 2.03Å; C209-C249 PolarHBondContact SG-SG 3.18Å; W212-C249 HydrophobicContact CZ2-CB 4.43Å; C249-Y258 VanDerWaalsContact O-CA 3.24Å; C249-Y258 WeakPolarHBondContact O-CA 3.46Å; C249-Y258 WeakPolarHBondContact O-CB 3.43Å; C249-E259 PolarHBondContact N-O 3.17Å; C249-E259 PolarHBondContact O-N 3.03Å
250	F	96.7	Very high	92.7	Very high	8 Å²	8	57.8 Å²	57.8	4%	0.035	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	144.2	159.6	-65.7	-84.5	0	0	0	108.6	C209 Q210 W212 H218 H220 F222 W248 R257	C209-F250 CarbonylContact C-O 3.13Å; C209-F250 WeakPolarHBondContact CA-O 3.36Å; Q210-F250 HydrophobicContact CB-CB 4.03Å; Q210-F250 HydrophobicContact CG-CB 4.46Å; Q210-F250 PolarHBondContact N-O 3.07Å; W212-F250 HydrophobicContact CE3-CD2 4.21Å; W212-F250 HydrophobicContact CE3-CE2 4.3Å; W212-F250 HydrophobicContact CH2-CD2 4.48Å; W212-F250 AromaticContact CZ3-CD2 3.85Å; W212-F250 HydrophobicContact CZ3-CD2 3.85Å; W212-F250 AromaticContact CZ3-CE2 3.76Å; W212-F250 HydrophobicContact CZ3-CE2 3.76Å; H218-F250 HydrophobicContact CB-CB 4.49Å; H218-F250 HydrophobicContact CB-CD1 3.97Å; H220-F250 HydrophobicContact CB-CD1 4.46Å; H220-F250 HydrophobicContact CB-CD2 4.35Å; H220-F250 HydrophobicContact CB-CE1 3.81Å; H220-F250 HydrophobicContact CB-CE2 3.65Å; H220-F250 HydrophobicContact CB-CZ 3.37Å; H220-F250 AromaticContact CD2-CD1 3.89Å; H220-F250 AromaticContact CD2-CD2 3.1Å; H220-F250 WeakPolarHBondContact CD2-CD2 3.48Å; H220-F250 AromaticContact CD2-CE2 3.28Å; H220-F250 WeakPolarHBondContact CD2-CE2 3.36Å; H220-F250 AromaticContact CD2-CG 3.44Å; H220-F250 VanDerWaalsContact CD2-CG 3.44Å; H220-F250 WeakPolarHBondContact CD2-CG 3.49Å; H220-F250 AromaticContact CD2-CZ 3.79Å; H220-F250 AromaticContact CG-CD2 3.88Å; H220-F250 AromaticContact CG-CE2 3.55Å; H220-F250 AromaticContact CG-CZ 3.82Å; H220-F250 AromaticContact NE2-CD2 3.68Å; F222-F250 HydrophobicContact CB-CE2 4.26Å; F222-F250 AromaticContact CD2-CE2 3.82Å; F222-F250 HydrophobicContact CD2-CE2 3.82Å; F222-F250 AromaticContact CD2-CZ 3.79Å; F222-F250 HydrophobicContact CD2-CZ 3.79Å; F222-F250 HydrophobicContact CE2-CZ 4.24Å; F222-F250 HydrophobicContact CG-CE2 4.37Å; W248-F250 AromaticContact CH2-CE2 3.73Å; W248-F250 HydrophobicContact CH2-CE2 3.73Å; W248-F250 AromaticContact CH2-CZ 3.9Å; W248-F250 HydrophobicContact CH2-CZ 3.9Å; W248-F250 AromaticContact CZ3-CD2 3.83Å; W248-F250 HydrophobicContact CZ3-CD2 3.83Å; W248-F250 HydrophobicContact CZ3-CE1 4.34Å; W248-F250 AromaticContact CZ3-CE2 3.46Å; W248-F250 HydrophobicContact CZ3-CE2 3.46Å; W248-F250 VanDerWaalsContact CZ3-CE2 3.46Å; W248-F250 HydrophobicContact CZ3-CG 4.42Å; W248-F250 AromaticContact CZ3-CZ 3.72Å; W248-F250 HydrophobicContact CZ3-CZ 3.72Å; F250-R257 WeakPolarHBondContact CA-O 3.3Å; F250-R257 HydrophobicContact CD1-CG 4.33Å; F250-R257 WeakPolarHBondContact CD1-O 3.35Å; F250-R257 HydrophobicContact CE1-CG 4.42Å
251	T	96.7	Very high	93	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-100.4	161.6	-174.3	98.2	0	0	0	0	112.2	T203 P217 H218 N253 V256 R257 E259	T203-T251 HydrophobicContact CG2-CG2 3.87Å; P217-T251 WeakPolarHBondContact CG-O 3.33Å; H218-T251 PolarHBondContact CD2-O 3.47Å; H218-T251 VanDerWaalsContact CD2-O 3.32Å; T251-N253 VanDerWaalsContact C-N 3.25Å; T251-N253 PolarHBondContact O-N 2.74Å; T251-N253 PolarHBondContact OG1-N 2.7Å; T251-N253 PolarHBondContact OG1-O 2.8Å; T251-V256 WeakPolarHBondContact CB-O 3.26Å; T251-V256 HydrophobicContact CG2-CB 4.29Å; T251-V256 HydrophobicContact CG2-CG1 3.83Å; T251-V256 VanDerWaalsContact CG2-O 3.28Å; T251-V256 WeakPolarHBondContact CG2-O 3.46Å; T251-V256 PolarHBondContact OG1-O 2.85Å; T251-R257 PolarHBondContact N-O 3.32Å; T251-E259 HydrophobicContact CG2-CB 4.04Å
252	S	95.5	Very high	93.2	Very high	63 Å²	63	57.6 Å²	57.6	44%	0.441	31%	0.31	S	S	.	.	S	Bend	trans	-79.4	-2.8	172.2	70	0	0	0	0	113.9	K208	K208-S252 WeakPolarHBondContact O-CB 3.49Å; K208-S252 PolarHBondContact O-N 3.16Å; K208-S252 PolarHBondContact O-OG 3.16Å
253	N	94.4	Very high	93.5	Very high	45 Å²	45	57.2 Å²	57.2	24%	0.241	30%	0.303	C	S	.	.	S	Bend	trans	-88.3	122.6	172.5	-177.1	-3.8	0	0	0	109.5	I207 H218 T251 E255 V256	I207-N253 HydrophobicContact CD1-CB 4.48Å; I207-N253 HydrophobicContact CG2-CB 4.01Å; H218-N253 PolarHBondContact NE2-O 3.34Å; T251-N253 VanDerWaalsContact C-N 3.25Å; T251-N253 PolarHBondContact O-N 2.74Å; T251-N253 PolarHBondContact OG1-N 2.7Å; T251-N253 PolarHBondContact OG1-O 2.8Å; N253-E255 PolarHBondContact ND2-OE2 3.15Å; N253-E255 PolarHBondContact O-N 3.17Å; N253-E255 WeakPolarHBondContact OD1-CB 3.41Å; N253-E255 PolarHBondContact OD1-N 3.07Å; N253-V256 HydrophobicContact CB-CB 4.4Å; N253-V256 PolarHBondContact O-N 3.39Å; N253-V256 VanDerWaalsContact O-O 3.13Å
254	P	94.3	Very high	93.8	Very high	96 Å²	96	57.4 Å²	57.4	62%	0.623	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-25.7	172.6	-26	35.8	0	0	0	115.1	P217 H218	P217-P254 HydrophobicContact CB-CB 4.45Å; P217-P254 HydrophobicContact CB-CG 4.12Å; H218-P254 PolarHBondContact CE1-O 3.27Å; H218-P254 VanDerWaalsContact CE1-O 3.28Å
255	E	94.8	Very high	94	Very high	171 Å²	171	53 Å²	53	80%	0.799	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-30.7	179.9	-57.8	174.2	151.6	0	0	112.7	N253	N253-E255 PolarHBondContact ND2-OE2 3.15Å; N253-E255 PolarHBondContact O-N 3.17Å; N253-E255 WeakPolarHBondContact OD1-CB 3.41Å; N253-E255 PolarHBondContact OD1-N 3.07Å
256	V	95	Very high	94.4	Very high	47 Å²	47	50 Å²	50	29%	0.285	26%	0.257	S	S	.	.			trans	-109.2	96.4	-176.4	-175.3	0	0	0	0	109.1	I207 H218 T251 N253 Y258 E259	I207-V256 HydrophobicContact CD1-CB 3.99Å; I207-V256 HydrophobicContact CD1-CG1 4.1Å; I207-V256 HydrophobicContact CD1-CG2 3.93Å; H218-V256 PolarHBondContact NE2-O 3.08Å; T251-V256 WeakPolarHBondContact CB-O 3.26Å; T251-V256 HydrophobicContact CG2-CB 4.29Å; T251-V256 HydrophobicContact CG2-CG1 3.83Å; T251-V256 VanDerWaalsContact CG2-O 3.28Å; T251-V256 WeakPolarHBondContact CG2-O 3.46Å; T251-V256 PolarHBondContact OG1-O 2.85Å; N253-V256 HydrophobicContact CB-CB 4.4Å; N253-V256 PolarHBondContact O-N 3.39Å; N253-V256 VanDerWaalsContact O-O 3.13Å; V256-Y258 PolarHBondContact O-N 3.37Å; V256-E259 HydrophobicContact CG1-CB 4.37Å
257	R	95.1	Very high	94.3	Very high	115 Å²	115	50.8 Å²	50.8	43%	0.434	26%	0.262	S	S	.	.			trans	-59.7	-49.1	-173.1	-176.9	164.7	169.4	73.8	-0.8	114	H218 E219 F250 T251	H218-R257 HydrophobicContact CB-CG 4.44Å; H218-R257 PolarHBondContact CD2-O 2.8Å; H218-R257 VanDerWaalsContact CE1-CA 3.48Å; H218-R257 WeakPolarHBondContact CE1-CA 3.14Å; E219-R257 PolarHBondContact O-NH1 3.11Å; E219-R257 PolarHBondContact O-NH2 3.48Å; F250-R257 WeakPolarHBondContact CA-O 3.3Å; F250-R257 HydrophobicContact CD1-CG 4.33Å; F250-R257 WeakPolarHBondContact CD1-O 3.35Å; F250-R257 HydrophobicContact CE1-CG 4.42Å; T251-R257 PolarHBondContact N-O 3.32Å
258	Y	94.4	Very high	93.9	Very high	146 Å²	146	54.9 Å²	54.9	57%	0.573	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.2	154.9	176.3	70.2	-80.1	0	0	0	109.4	W248 C249 V256	W248-Y258 HydrophobicContact CE3-CD2 4.21Å; W248-Y258 HydrophobicContact CE3-CG 4.46Å; C249-Y258 VanDerWaalsContact O-CA 3.24Å; C249-Y258 WeakPolarHBondContact O-CA 3.46Å; C249-Y258 WeakPolarHBondContact O-CB 3.43Å; V256-Y258 PolarHBondContact O-N 3.37Å
259	E	95.7	Very high	93.5	Very high	30 Å²	30	57 Å²	57	14%	0.14	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	153.2	178	-159.5	-166.8	158.1	0	0	109.9	T203 S205 W248 C249 T251 V256	T203-E259 WeakPolarHBondContact CB-OE2 3.3Å; T203-E259 HydrophobicContact CG2-CB 3.72Å; T203-E259 PolarHBondContact OG1-OE2 2.89Å; S205-E259 VanDerWaalsContact CB-OE1 3.24Å; S205-E259 WeakPolarHBondContact CB-OE1 3.35Å; S205-E259 WeakPolarHBondContact CB-OE2 3.24Å; S205-E259 PolarHBondContact N-OE1 2.76Å; S205-E259 PolarHBondContact OG-OE1 2.87Å; W248-E259 WeakPolarHBondContact CA-O 3.3Å; W248-E259 VanDerWaalsContact CB-O 3.28Å; W248-E259 WeakPolarHBondContact CB-O 3.39Å; C249-E259 PolarHBondContact N-O 3.17Å; C249-E259 PolarHBondContact O-N 3.03Å; T251-E259 HydrophobicContact CG2-CB 4.04Å; V256-E259 HydrophobicContact CG1-CB 4.37Å
260	V	95.7	Very high	93.1	Very high	56 Å²	56	60.3 Å²	60.3	34%	0.339	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	149.6	169.5	-66.5	0	0	0	0	110.8	K204 W248	K204-V260 PolarHBondContact N-O 2.83Å; W248-V260 HydrophobicContact CB-CG1 4.35Å
261	C	95.3	Very high	92.6	Very high	8 Å²	8	62.4 Å²	62.4	5%	0.054	33%	0.326	C	S	.	.			trans	-99.6	140.2	175.4	-54.5	0	0	0	0	110.2	V200 I202 C237 P247 I263	V200-C261 HydrophobicContact CG1-CB 4.22Å; I202-C261 WeakPolarHBondContact O-CB 3.37Å; C237-C261 HydrophobicContact CB-CB 3.62Å; C237-C261 WeakPolarHBondContact CB-SG 3.42Å; C237-C261 WeakPolarHBondContact SG-CB 3.28Å; C237-C261 CovalentContact SG-SG 2.02Å; C237-C261 PolarHBondContact SG-SG 3.1Å; P247-C261 PolarHBondContact O-N 3.22Å; C261-I263 HydrophobicContact CB-CD1 4.01Å; C261-I263 HydrophobicContact CB-CG1 4.21Å; C261-I263 PolarHBondContact O-N 3.21Å
262	D	92.6	Very high	92.1	Very high	125 Å²	125	62.9 Å²	62.9	67%	0.668	33%	0.328	S	S	*	.			trans	-75.8	90.6	-179.2	-164.3	30	0	0	0	110.4	K204	K204-D262 HydrophobicContact CB-CB 4.22Å; K204-D262 HydrophobicContact CG-CB 4.44Å
263	I	92.9	Very high	91.5	Very high	13 Å²	13	63 Å²	63	7%	0.067	33%	0.327	C	S	.	.			trans	-126.5	110.2	-179.1	-57.7	165.9	0	0	0	107.1	I189 Y196 V200 C237 P247 C261	I189-I263 HydrophobicContact CB-CG2 4.5Å; I189-I263 HydrophobicContact CG1-CG2 4.5Å; I189-I263 HydrophobicContact CG2-CB 4.35Å; I189-I263 HydrophobicContact CG2-CG2 3.62Å; Y196-I263 HydrophobicContact CD1-CD1 4.33Å; Y196-I263 HydrophobicContact CD2-CG2 4.5Å; Y196-I263 HydrophobicContact CE1-CD1 3.78Å; Y196-I263 HydrophobicContact CE2-CD1 4.49Å; Y196-I263 HydrophobicContact CE2-CG2 4.02Å; V200-I263 HydrophobicContact CB-CD1 4.11Å; V200-I263 HydrophobicContact CB-CG1 4.24Å; V200-I263 HydrophobicContact CG1-CD1 4.2Å; V200-I263 HydrophobicContact CG1-CG1 4.07Å; V200-I263 HydrophobicContact CG2-CD1 4.5Å; V200-I263 HydrophobicContact CG2-CG1 4.24Å; C237-I263 HydrophobicContact CB-CD1 4.09Å; P247-I263 HydrophobicContact CB-CD1 3.96Å; P247-I263 HydrophobicContact CG-CD1 4Å; C261-I263 HydrophobicContact CB-CD1 4.01Å; C261-I263 HydrophobicContact CB-CG1 4.21Å; C261-I263 PolarHBondContact O-N 3.21Å
264	P	92.4	Very high	90.9	Very high	54 Å²	54	64.1 Å²	64.1	35%	0.351	34%	0.337	S	S	.	.			trans	-66.6	153.9	-172.9	26.6	-35.8	0	0	0	112.4	C188 I189 V269	C188-P264 CarbonylContact C-O 3.56Å; C188-P264 WeakPolarHBondContact CA-O 3.41Å; C188-P264 VanDerWaalsContact CB-O 3.25Å; C188-P264 WeakPolarHBondContact CB-O 3.34Å; I189-P264 PolarHBondContact N-O 3.18Å; P264-V269 HydrophobicContact CB-CG2 4Å; P264-V269 HydrophobicContact CG-CG2 3.67Å
265	Q	92	Very high	90.5	Very high	52 Å²	52	59.8 Å²	59.8	24%	0.243	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-65	141.5	165.6	-63.7	-68.8	-28.4	0	0	109.6	I189 G191 S267 E268 V269	I189-Q265 CarbonylContact O-C 3.43Å; I189-Q265 WeakPolarHBondContact O-CA 3.31Å; I189-Q265 PolarHBondContact O-OE1 2.76Å; G191-Q265 PolarHBondContact O-NE2 2.85Å; G191-Q265 PolarHBondContact O-OE1 3.44Å; Q265-S267 WeakPolarHBondContact CB-OG 3.34Å; Q265-S267 PolarHBondContact O-N 2.66Å; Q265-S267 VanDerWaalsContact O-N 3.07Å; Q265-E268 HydrophobicContact CB-CB 4.44Å; Q265-E268 HydrophobicContact CB-CG 4.08Å; Q265-E268 PolarHBondContact O-N 3.47Å; Q265-V269 PolarHBondContact O-N 3.49Å; Q265-V269 VanDerWaalsContact O-N 3.15Å
266	C	90.8	Very high	90.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-12.1	177.4	-56.5	0	0	0	0	113.5	C188 I189 I190 E268 M283	C188-C266 VanDerWaalsContact C-SG 3.5Å; C188-C266 HydrophobicContact CB-CB 3.95Å; C188-C266 WeakPolarHBondContact CB-SG 3.32Å; C188-C266 VanDerWaalsContact SG-CA 3.55Å; C188-C266 WeakPolarHBondContact SG-CB 3.49Å; C188-C266 CovalentContact SG-SG 2.04Å; C188-C266 PolarHBondContact SG-SG 2.02Å; I189-C266 PolarHBondContact O-N 3.42Å; I189-C266 PolarHBondContact O-SG 3.03Å; I189-C266 VanDerWaalsContact O-SG 3.34Å; I190-C266 HydrophobicContact CD1-CB 3.64Å; C266-E268 VanDerWaalsContact C-N 3.34Å; C266-M283 HydrophobicContact CB-SD 4.47Å
267	S	88.7	Confident	89.7	Confident	20 Å²	20	51.4 Å²	51.4	14%	0.14	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-6	169.5	48	0	0	0	0	114.6	Q265 A344 K346	Q265-S267 WeakPolarHBondContact CB-OG 3.34Å; Q265-S267 PolarHBondContact O-N 2.66Å; Q265-S267 VanDerWaalsContact O-N 3.07Å; S267-A344 WeakPolarHBondContact CB-O 3.36Å; S267-K346 WeakPolarHBondContact O-CB 3.21Å; S267-K346 PolarHBondContact O-N 3.39Å
268	E	87.7	Confident	89.2	Confident	88 Å²	88	49.4 Å²	49.4	41%	0.411	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-18.9	-176.8	-59.2	-170.1	103.9	0	0	113.9	Q265 C266 E270 K346	Q265-E268 HydrophobicContact CB-CB 4.44Å; Q265-E268 HydrophobicContact CB-CG 4.08Å; Q265-E268 PolarHBondContact O-N 3.47Å; C266-E268 VanDerWaalsContact C-N 3.34Å; E268-E270 PolarHBondContact O-N 3.2Å; E268-K346 HydrophobicContact CB-CD 4.35Å; E268-K346 HydrophobicContact CG-CB 4.29Å; E268-K346 HydrophobicContact CG-CD 3.71Å; E268-K346 VanDerWaalsContact OE1-CD 3.25Å; E268-K346 WeakPolarHBondContact OE1-CD 3.13Å; E268-K346 WeakPolarHBondContact OE1-CE 3.41Å; E268-K346 IonicContact OE1-NZ 2.67Å; E268-K346 PolarHBondContact OE1-NZ 3.47Å
269	V	86.6	Confident	89	Confident	60 Å²	60	42.5 Å²	42.5	36%	0.364	24%	0.243	S	C	.	.	S	Bend	trans	-55.2	-39.3	174	172.7	0	0	0	0	112.1	C188 P264 Q265	C188-V269 HydrophobicContact CB-CG2 3.5Å; P264-V269 HydrophobicContact CB-CG2 4Å; P264-V269 HydrophobicContact CG-CG2 3.67Å; Q265-V269 PolarHBondContact O-N 3.49Å; Q265-V269 VanDerWaalsContact O-N 3.15Å
270	E	87.4	Confident	88.8	Confident	70 Å²	70	45 Å²	45	33%	0.327	25%	0.251	S	S	.	.	S	Bend	trans	-134	126.7	174.4	-169.1	-172.3	120.6	0	0	105.5	E268 Y279 R280 G281	E268-E270 PolarHBondContact O-N 3.2Å; E270-Y279 HydrophobicContact CB-CE2 4.17Å; E270-Y279 HydrophobicContact CG-CD2 4.39Å; E270-Y279 HydrophobicContact CG-CE2 4.3Å; E270-Y279 WeakPolarHBondContact O-CE2 3.38Å; E270-Y279 WeakPolarHBondContact OE1-CD2 3.42Å; E270-R280 WeakPolarHBondContact OE1-CA 3.47Å; E270-R280 PolarHBondContact OE1-N 3.09Å; E270-G281 VanDerWaalsContact CD-CA 3.46Å; E270-G281 PolarHBondContact OE1-N 3.03Å; E270-G281 WeakPolarHBondContact OE2-CA 3.47Å; E270-G281 PolarHBondContact OE2-N 3.48Å
271	C	86.5	Confident	88.6	Confident	51 Å²	51	42.4 Å²	42.4	35%	0.345	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-92.2	154.6	177.3	58.1	0	0	0	0	110.1	K346 C348	C271-K346 CarbonylContact C-O 3.54Å; C271-K346 VanDerWaalsContact CA-O 3.25Å; C271-K346 WeakPolarHBondContact CA-O 3.48Å; C271-K346 WeakPolarHBondContact CB-O 3.46Å; C271-C348 VanDerWaalsContact C-SG 3.53Å; C271-C348 HydrophobicContact CB-CB 3.94Å; C271-C348 WeakPolarHBondContact CB-SG 3.01Å; C271-C348 WeakPolarHBondContact SG-CA 3.49Å; C271-C348 WeakPolarHBondContact SG-CB 3.36Å; C271-C348 CovalentContact SG-SG 2.04Å; C271-C348 PolarHBondContact SG-SG 2.98Å
272	M	86.3	Confident	88.4	Confident	11 Å²	11	44.1 Å²	44.1	5%	0.054	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-87.3	129.2	171.4	66.3	-170.9	-173.2	0	0	110.4	Y279 R328 P329 I345 K346 T347 C348	M272-Y279 HydrophobicContact CB-CD2 4.36Å; M272-R328 HydrophobicContact CE-CG 4.18Å; M272-P329 WeakPolarHBondContact SD-CD 3.1Å; M272-P329 HydrophobicContact SD-CG 4Å; M272-I345 HydrophobicContact CB-CG2 3.96Å; M272-I345 HydrophobicContact CG-CG2 3.96Å; M272-I345 HydrophobicContact SD-CB 4.01Å; M272-I345 HydrophobicContact SD-CG2 4.02Å; M272-K346 PolarHBondContact N-O 3.25Å; M272-T347 HydrophobicContact CE-CG2 3.63Å; M272-T347 HydrophobicContact CG-CG2 4.26Å; M272-T347 WeakPolarHBondContact O-CA 3.24Å; M272-C348 PolarHBondContact O-N 2.9Å
273	T	82.8	Confident	88.5	Confident	66 Å²	66	38.8 Å²	38.8	41%	0.405	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-83.8	150	159.4	53.9	0	0	0	0	109.1	N275 G276 S278 C348	T273-N275 PolarHBondContact O-N 3.08Å; T273-G276 WeakPolarHBondContact O-CA 3.37Å; T273-G276 PolarHBondContact O-N 3.24Å; T273-S278 PolarHBondContact OG1-OG 2.02Å; T273-C348 HydrophobicContact CG2-CB 4.25Å
274	C	82.3	Confident	88.5	Confident	68 Å²	68	38.4 Å²	38.4	46%	0.459	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	-133.1	-179.6	-82.6	0	0	0	0	112.2	G276 C406	C274-G276 VanDerWaalsContact C-N 3.3Å; C274-C406 WeakPolarHBondContact CA-SG 3.45Å; C274-C406 HydrophobicContact CB-CB 4.14Å; C274-C406 WeakPolarHBondContact CB-SG 3.33Å; C274-C406 WeakPolarHBondContact SG-CB 3.5Å; C274-C406 CovalentContact SG-SG 2.03Å; C274-C406 PolarHBondContact SG-SG 3.12Å
275	N	86.3	Confident	88.6	Confident	5 Å²	5	37.4 Å²	37.4	3%	0.027	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	6.3	176.2	-61.5	94.1	0	0	0	113.2	T273 N322 P327 P329 N403 F404	T273-N275 PolarHBondContact O-N 3.08Å; N275-N322 PolarHBondContact O-ND2 2.85Å; N275-P327 PolarHBondContact ND2-O 2.89Å; N275-P329 WeakPolarHBondContact O-CD 3.01Å; N275-N403 PolarHBondContact ND2-O 3.3Å; N275-F404 WeakPolarHBondContact OD1-CD1 3.45Å
276	G	87.4	Confident	88.8	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	75.6	31	175.4	0	0	0	0	0	115.9	T273 C274 Y279 N322	T273-G276 WeakPolarHBondContact O-CA 3.37Å; T273-G276 PolarHBondContact O-N 3.24Å; C274-G276 VanDerWaalsContact C-N 3.3Å; G276-Y279 VanDerWaalsContact O-CB 3.24Å; G276-Y279 WeakPolarHBondContact O-CB 3Å; G276-Y279 PolarHBondContact O-N 2.94Å; G276-N322 WeakPolarHBondContact O-CB 3.4Å
277	E	85.6	Confident	88.9	Confident	41 Å²	41	39.5 Å²	39.5	19%	0.192	21%	0.214	C	C	.	.	S	Bend	trans	-66.4	-38	174.6	-60	170.4	-113.1	0	0	112.1	R280 N322 K407	E277-R280 PolarHBondContact O-NH1 2.72Å; E277-N322 HydrophobicContact CG-CB 4.47Å; E277-K407 VanDerWaalsContact OE1-CE 3.23Å; E277-K407 WeakPolarHBondContact OE1-CE 3.47Å; E277-K407 IonicContact OE1-NZ 3.25Å; E277-K407 PolarHBondContact OE1-NZ 3.34Å; E277-K407 IonicContact OE2-NZ 2.73Å
278	S	84.4	Confident	89.1	Confident	73 Å²	73	42 Å²	42	51%	0.51	23%	0.231	S	C	.	.	S	Bend	trans	-78.1	-13.4	173.7	53	0	0	0	0	114	T273 R280	T273-S278 PolarHBondContact OG1-OG 2.02Å; S278-R280 PolarHBondContact O-N 2.85Å; S278-R280 PolarHBondContact O-NH1 3.36Å
279	Y	90.4	Very high	89.3	Confident	2 Å²	2	40 Å²	40	1%	0.008	23%	0.234	C	C	.	.			trans	-58.9	128.7	-175.7	178.7	-103.3	0	0	0	112	E270 M272 G276 G281 M283 C320 R321 P329 I345	E270-Y279 HydrophobicContact CB-CE2 4.17Å; E270-Y279 HydrophobicContact CG-CD2 4.39Å; E270-Y279 HydrophobicContact CG-CE2 4.3Å; E270-Y279 WeakPolarHBondContact O-CE2 3.38Å; E270-Y279 WeakPolarHBondContact OE1-CD2 3.42Å; M272-Y279 HydrophobicContact CB-CD2 4.36Å; G276-Y279 VanDerWaalsContact O-CB 3.24Å; G276-Y279 WeakPolarHBondContact O-CB 3Å; G276-Y279 PolarHBondContact O-N 2.94Å; Y279-G281 VanDerWaalsContact CZ-CA 3.43Å; Y279-G281 WeakPolarHBondContact OH-CA 3.12Å; Y279-M283 WeakPolarHBondContact OH-CB 3.41Å; Y279-C320 WeakPolarHBondContact CD1-O 3.41Å; Y279-C320 WeakPolarHBondContact CE1-O 3.47Å; Y279-R321 VanDerWaalsContact O-CD 3.3Å; Y279-R321 WeakPolarHBondContact O-CD 3.16Å; Y279-P329 HydrophobicContact CD1-CB 4.46Å; Y279-P329 HydrophobicContact CD1-CG 4.43Å; Y279-I345 HydrophobicContact CD1-CD1 3.98Å; Y279-I345 HydrophobicContact CD2-CG2 4.19Å; Y279-I345 HydrophobicContact CE1-CD1 3.49Å; Y279-I345 VanDerWaalsContact CE1-CD1 3.49Å; Y279-I345 HydrophobicContact CE1-CG1 4.28Å; Y279-I345 HydrophobicContact CE2-CD1 4.37Å; Y279-I345 HydrophobicContact CE2-CG2 3.7Å
280	R	91.7	Very high	89.6	Confident	82 Å²	82	40 Å²	40	31%	0.309	23%	0.23	S	C	.	.			trans	-122.4	2.3	176.8	-61	-59	175.3	-95.9	4.2	113.5	E270 E277 S278 D312 R321	E270-R280 WeakPolarHBondContact OE1-CA 3.47Å; E270-R280 PolarHBondContact OE1-N 3.09Å; E277-R280 PolarHBondContact O-NH1 2.72Å; S278-R280 PolarHBondContact O-N 2.85Å; S278-R280 PolarHBondContact O-NH1 3.36Å; R280-D312 PolarHBondContact NH2-O 2.98Å; R280-R321 PolarHBondContact O-NH1 2.91Å; R280-R321 PolarHBondContact O-NH2 2.58Å
281	G	91.2	Very high	89.9	Confident	1 Å²	1	38 Å²	38	1%	0.01	22%	0.22	C	C	.	.			trans	-61	171	-175.1	0	0	0	0	0	116.5	E270 Y279 M283 R321	E270-G281 VanDerWaalsContact CD-CA 3.46Å; E270-G281 PolarHBondContact OE1-N 3.03Å; E270-G281 WeakPolarHBondContact OE2-CA 3.47Å; E270-G281 PolarHBondContact OE2-N 3.48Å; Y279-G281 VanDerWaalsContact CZ-CA 3.43Å; Y279-G281 WeakPolarHBondContact OH-CA 3.12Å; G281-M283 PolarHBondContact O-N 2.82Å; G281-R321 PolarHBondContact O-NH1 2.87Å
282	L	90.9	Very high	90.3	Very high	44 Å²	44	35.5 Å²	35.5	23%	0.23	20%	0.204	C	C	.	.			trans	-91.2	11.8	-162.6	-57.4	-179.8	0	0	0	115.1	R186 D284 Y319	R186-L282 PolarHBondContact NH2-O 3.14Å; L282-D284 PolarHBondContact O-N 2.82Å; L282-Y319 VanDerWaalsContact C-CD1 3.48Å; L282-Y319 HydrophobicContact CB-CD1 4.49Å; L282-Y319 HydrophobicContact CB-CE1 4.23Å; L282-Y319 HydrophobicContact CD2-CE1 4.15Å; L282-Y319 HydrophobicContact CD2-CE2 4.19Å; L282-Y319 WeakPolarHBondContact O-CD1 3.19Å; L282-Y319 WeakPolarHBondContact O-CE1 3.5Å
283	M	93.9	Very high	90.8	Very high	14 Å²	14	35.1 Å²	35.1	7%	0.069	20%	0.202	C	C	.	.			trans	-67.9	123.3	176.7	-169.9	61	162.9	0	0	110.2	I190 C266 Y279 G281 H285 Y319 C320 C343 I345	I190-M283 HydrophobicContact CD1-SD 3.61Å; C266-M283 HydrophobicContact CB-SD 4.47Å; Y279-M283 WeakPolarHBondContact OH-CB 3.41Å; G281-M283 PolarHBondContact O-N 2.82Å; M283-H285 WeakPolarHBondContact CE-O 2.97Å; M283-Y319 CarbonylContact O-C 3.59Å; M283-Y319 VanDerWaalsContact O-CA 3.25Å; M283-Y319 WeakPolarHBondContact O-CA 3.3Å; M283-C320 PolarHBondContact O-N 2.69Å; M283-C320 PolarHBondContact O-SG 3.36Å; M283-C320 VanDerWaalsContact O-SG 3.38Å; M283-C343 HydrophobicContact CG-CB 4.29Å; M283-I345 HydrophobicContact CB-CD1 4.44Å; M283-I345 HydrophobicContact CB-CG1 4.1Å; M283-I345 HydrophobicContact CG-CG1 4.07Å
284	D	93.9	Very high	91.3	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.021	18%	0.183	C	C	.	.			trans	-130	22.4	178.1	82.7	-33.6	0	0	0	114.1	K182 R186 L282 C292 N318 Y319	K182-D284 IonicContact NZ-OD2 3.36Å; K182-D284 PolarHBondContact NZ-OD2 3.2Å; R186-D284 IonicContact CZ-OD1 3.16Å; R186-D284 VanDerWaalsContact CZ-OD1 3.28Å; R186-D284 IonicContact NH1-OD1 3.64Å; R186-D284 PolarHBondContact NH1-OD1 2.87Å; R186-D284 IonicContact NH1-OD2 3.67Å; R186-D284 IonicContact NH2-OD1 2.71Å; R186-D284 PolarHBondContact NH2-OD1 2.81Å; R186-D284 IonicContact NH2-OD2 2.79Å; L282-D284 PolarHBondContact O-N 2.82Å; D284-C292 WeakPolarHBondContact O-CB 2.98Å; D284-C292 PolarHBondContact O-N 3.44Å; D284-C292 PolarHBondContact O-SG 3.2Å; D284-C292 VanDerWaalsContact O-SG 3.33Å; D284-N318 WeakPolarHBondContact CB-OD1 3.38Å; D284-N318 PolarHBondContact OD2-ND2 3.07Å; D284-N318 PolarHBondContact OD2-OD1 3.23Å; D284-Y319 HydrophobicContact CB-CD1 3.93Å; D284-Y319 HydrophobicContact CB-CE1 4.39Å
285	H	93.4	Very high	91.9	Very high	34 Å²	34	29 Å²	29	16%	0.157	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-128.2	147.5	173	-69.1	42.3	0	0	0	109.3	I190 M283 K290	I190-H285 HydrophobicContact CG2-CB 4.15Å; M283-H285 WeakPolarHBondContact CE-O 2.97Å; H285-K290 CarbonylContact C-O 3.59Å; H285-K290 WeakPolarHBondContact CA-O 3.45Å
286	T	95.6	Very high	92.2	Very high	4 Å²	4	30.3 Å²	30.3	3%	0.025	17%	0.169	C	C	.	.			trans	-75.4	173.3	177.7	71.9	0	0	0	0	111.5	S288 G289 K290 T333 E341 Y342	T286-S288 VanDerWaalsContact C-N 3.29Å; T286-S288 PolarHBondContact O-N 3.38Å; T286-G289 WeakPolarHBondContact O-CA 3.31Å; T286-G289 PolarHBondContact O-N 2.97Å; T286-K290 HydrophobicContact CG2-CB 4.09Å; T286-K290 PolarHBondContact N-O 2.82Å; T286-K290 WeakPolarHBondContact OG1-CB 3.24Å; T286-K290 PolarHBondContact OG1-N 3.24Å; T286-T333 HydrophobicContact CG2-CG2 3.89Å; T286-E341 WeakPolarHBondContact CB-OE1 3.37Å; T286-E341 HydrophobicContact CG2-CB 3.76Å; T286-E341 HydrophobicContact CG2-CG 4.37Å; T286-E341 PolarHBondContact OG1-OE1 3.09Å; T286-Y342 CarbonylContact C-O 3.59Å; T286-Y342 WeakPolarHBondContact CA-O 3.34Å; T286-Y342 WeakPolarHBondContact CB-O 3.23Å
287	E	94	Very high	92.4	Very high	91 Å²	91	31.6 Å²	31.6	43%	0.425	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-29.5	176.9	64.7	-166.8	173	0	0	113.8	G289 R328 E341 Y342 A344	E287-G289 VanDerWaalsContact C-N 3.26Å; E287-G289 PolarHBondContact O-N 2.85Å; E287-R328 IonicContact OE1-NH2 2.72Å; E287-R328 PolarHBondContact OE1-NH2 2.82Å; E287-R328 VanDerWaalsContact OE1-NH2 3.16Å; E287-R328 IonicContact OE2-CZ 2.71Å; E287-R328 IonicContact OE2-NH1 3.32Å; E287-R328 PolarHBondContact OE2-NH1 2.03Å; E287-R328 IonicContact OE2-NH2 3.32Å; E287-R328 PolarHBondContact OE2-NH2 2.75Å; E287-E341 HydrophobicContact CG-CG 4.39Å; E287-Y342 PolarHBondContact N-O 2.92Å; E287-A344 HydrophobicContact CB-CB 3.91Å
288	S	93.4	Very high	92.7	Very high	72 Å²	72	32.7 Å²	32.7	50%	0.503	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	8.4	168.2	101.8	0	0	0	0	114	T286 K290 E341	T286-S288 VanDerWaalsContact C-N 3.29Å; T286-S288 PolarHBondContact O-N 3.38Å; S288-K290 PolarHBondContact O-N 2.84Å; S288-K290 WeakPolarHBondContact OG-CD 3.48Å; S288-K290 WeakPolarHBondContact OG-CE 3.26Å; S288-K290 PolarHBondContact OG-NZ 2.03Å; S288-E341 WeakPolarHBondContact CB-OE1 3.43Å; S288-E341 PolarHBondContact N-OE1 3.33Å; S288-E341 PolarHBondContact OG-OE1 2.88Å
289	G	91.6	Very high	92.9	Very high	46 Å²	46	33.1 Å²	33.1	47%	0.474	18%	0.18	S	C	.	.			trans	75.8	15.5	178.1	0	0	0	0	0	116	T286 E287	T286-G289 WeakPolarHBondContact O-CA 3.31Å; T286-G289 PolarHBondContact O-N 2.97Å; E287-G289 VanDerWaalsContact C-N 3.26Å; E287-G289 PolarHBondContact O-N 2.85Å
290	K	93.3	Very high	92.9	Very high	62 Å²	62	35.8 Å²	35.8	27%	0.27	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-72.9	141.1	173.7	-63.4	159.9	-172.3	156.9	0	109	H285 T286 S288 T333 T338 E341	H285-K290 CarbonylContact C-O 3.59Å; H285-K290 WeakPolarHBondContact CA-O 3.45Å; T286-K290 HydrophobicContact CG2-CB 4.09Å; T286-K290 PolarHBondContact N-O 2.82Å; T286-K290 WeakPolarHBondContact OG1-CB 3.24Å; T286-K290 PolarHBondContact OG1-N 3.24Å; S288-K290 PolarHBondContact O-N 2.84Å; S288-K290 WeakPolarHBondContact OG-CD 3.48Å; S288-K290 WeakPolarHBondContact OG-CE 3.26Å; S288-K290 PolarHBondContact OG-NZ 2.03Å; K290-T333 HydrophobicContact CD-CG2 4.42Å; K290-T338 HydrophobicContact CD-CG2 4.01Å; K290-T338 WeakPolarHBondContact CE-OG1 3.3Å; K290-T338 PolarHBondContact NZ-OG1 3.21Å; K290-E341 WeakPolarHBondContact CD-OE2 3.4Å; K290-E341 IonicContact NZ-OE2 2.97Å; K290-E341 PolarHBondContact NZ-OE2 3.03Å
291	I	92.9	Very high	93	Very high	26 Å²	26	32.7 Å²	32.7	13%	0.133	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-73.4	135	176	-55.1	-158.5	0	0	0	109.6	L334	I291-L334 HydrophobicContact CB-CD1 4.01Å; I291-L334 HydrophobicContact CB-CG 4.46Å; I291-L334 HydrophobicContact CG2-CD1 3.84Å; I291-L334 HydrophobicContact CG2-CG 4.47Å; I291-L334 WeakPolarHBondContact O-CG 3.41Å; I291-L334 PolarHBondContact O-N 3.26Å
292	C	95.9	Very high	93.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-67.8	139.4	174.3	-64.4	0	0	0	0	112.6	D284 N318 C331 Y332	D284-C292 WeakPolarHBondContact O-CB 2.98Å; D284-C292 PolarHBondContact O-N 3.44Å; D284-C292 PolarHBondContact O-SG 3.2Å; D284-C292 VanDerWaalsContact O-SG 3.33Å; C292-N318 HydrophobicContact CB-CB 3.92Å; C292-N318 WeakPolarHBondContact CB-O 3.35Å; C292-N318 WeakPolarHBondContact O-CB 3.21Å; C292-N318 PolarHBondContact O-ND2 2.84Å; C292-C331 VanDerWaalsContact CA-SG 3.51Å; C292-C331 HydrophobicContact CB-CB 3.56Å; C292-C331 WeakPolarHBondContact CB-SG 3.46Å; C292-C331 WeakPolarHBondContact SG-CB 3.45Å; C292-C331 CovalentContact SG-SG 2.03Å; C292-C331 PolarHBondContact SG-SG 3.16Å; C292-Y332 CarbonylContact C-O 3.53Å; C292-Y332 WeakPolarHBondContact CA-O 3.46Å
293	Q	95.3	Very high	93.1	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.009	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-67.4	147.2	163.5	-176.6	-178.4	-51.9	0	0	109.7	H297 T299 P300 H301 H303 N318 Y332 L334	Q293-H297 HydrophobicContact CG-CB 4.48Å; Q293-H297 PolarHBondContact NE2-O 2.63Å; Q293-T299 VanDerWaalsContact CD-O 3.23Å; Q293-T299 WeakPolarHBondContact CG-O 3.39Å; Q293-T299 VanDerWaalsContact OE1-C 3.22Å; Q293-T299 PolarHBondContact OE1-O 3.24Å; Q293-P300 VanDerWaalsContact OE1-CD 3.24Å; Q293-H301 PolarHBondContact NE2-O 2.94Å; Q293-H301 PolarHBondContact OE1-O 3.01Å; Q293-H303 PolarHBondContact NE2-CD2 2.96Å; Q293-H303 PolarHBondContact NE2-NE2 3.42Å; Q293-H303 VanDerWaalsContact NE2-NE2 3.17Å; Q293-N318 VanDerWaalsContact O-CB 3.23Å; Q293-N318 WeakPolarHBondContact O-CB 3.37Å; Q293-Y332 WeakPolarHBondContact CB-O 3.46Å; Q293-Y332 PolarHBondContact N-O 3.27Å; Q293-L334 HydrophobicContact CB-CD2 3.94Å; Q293-L334 HydrophobicContact CG-CD2 4.3Å
294	R	94.4	Very high	93	Very high	3 Å²	3	46.3 Å²	46.3	1%	0.011	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-73.6	140.7	175.5	-72.7	168.5	66.8	84.1	24.3	110.8	H100 F102 K104 D296 H297 D317 N318	H100-R294 HydrophobicContact CB-CG 4.37Å; H100-R294 WeakPolarHBondContact ND1-CG 3.42Å; H100-R294 PolarHBondContact ND1-N 3.2Å; F102-R294 PolarHBondContact O-NH1 2.76Å; F102-R294 VanDerWaalsContact O-NH1 3.1Å; K104-R294 VanDerWaalsContact CD-NH2 3.29Å; R294-D296 VanDerWaalsContact CB-OD1 3.29Å; R294-D296 WeakPolarHBondContact CB-OD1 3.41Å; R294-D296 IonicContact CZ-OD1 2.71Å; R294-D296 IonicContact CZ-OD2 3.52Å; R294-D296 IonicContact NE-OD1 3.75Å; R294-D296 PolarHBondContact NE-OD1 2.73Å; R294-D296 IonicContact NE-OD2 3.52Å; R294-D296 IonicContact NH2-OD1 2.72Å; R294-D296 PolarHBondContact NH2-OD1 2.99Å; R294-D296 IonicContact NH2-OD2 2.83Å; R294-D296 PolarHBondContact NH2-OD2 2.97Å; R294-D296 PolarHBondContact O-N 3.49Å; R294-H297 HydrophobicContact CB-CB 4.13Å; R294-H297 PolarHBondContact O-N 2.76Å; R294-D317 CarbonylContact C-O 3.57Å; R294-D317 WeakPolarHBondContact CA-O 3.03Å; R294-D317 WeakPolarHBondContact CB-O 3.48Å; R294-D317 IonicContact CZ-OD1 3.56Å; R294-D317 IonicContact CZ-OD2 2.74Å; R294-D317 IonicContact NH1-OD1 2.91Å; R294-D317 PolarHBondContact NH1-OD1 2.86Å; R294-D317 IonicContact NH1-OD2 3.78Å; R294-D317 PolarHBondContact NH1-OD2 3.04Å; R294-D317 IonicContact NH2-OD2 3.27Å; R294-N318 HydrophobicContact CB-CB 4.3Å; R294-N318 HydrophobicContact CG-CB 3.83Å
295	W	94.7	Very high	92.8	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.008	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-28.6	176.8	-58.6	102.1	0	0	0	112.3	H297 H303 F305 P307 F315 D317 Y319 R321 W330 Y332	W295-H297 PolarHBondContact O-N 3.34Å; W295-H303 PolarHBondContact O-CE1 2.79Å; W295-F305 HydrophobicContact CE3-CB 3.86Å; W295-F305 HydrophobicContact CZ3-CB 3.84Å; W295-F305 HydrophobicContact CZ3-CD2 4.42Å; W295-F305 HydrophobicContact CZ3-CG 4.35Å; W295-P307 HydrophobicContact CB-CG 4.09Å; W295-P307 WeakPolarHBondContact O-CD 3.45Å; W295-F315 HydrophobicContact CB-CB 3.79Å; W295-F315 HydrophobicContact CB-CD1 4.38Å; W295-F315 HydrophobicContact CB-CG 4.18Å; W295-F315 AromaticContact CD2-CD1 3.53Å; W295-F315 HydrophobicContact CD2-CD1 3.53Å; W295-F315 AromaticContact CD2-CE1 3.88Å; W295-F315 HydrophobicContact CD2-CE1 3.88Å; W295-F315 HydrophobicContact CD2-CG 4.2Å; W295-F315 AromaticContact CE2-CD1 3.79Å; W295-F315 AromaticContact CE3-CD1 3.85Å; W295-F315 HydrophobicContact CE3-CD1 3.85Å; W295-F315 AromaticContact CE3-CE1 3.74Å; W295-F315 HydrophobicContact CE3-CE1 3.74Å; W295-F315 HydrophobicContact CE3-CZ 4.3Å; W295-F315 HydrophobicContact CG-CB 3.89Å; W295-F315 AromaticContact CG-CD1 3.76Å; W295-F315 HydrophobicContact CG-CD1 3.76Å; W295-F315 HydrophobicContact CG-CG 4.04Å; W295-F315 HydrophobicContact CH2-CE1 4.12Å; W295-F315 HydrophobicContact CZ2-CD1 4.35Å; W295-F315 HydrophobicContact CZ2-CE1 4.25Å; W295-F315 HydrophobicContact CZ3-CD1 4.38Å; W295-F315 AromaticContact CZ3-CE1 3.86Å; W295-F315 HydrophobicContact CZ3-CE1 3.86Å; W295-F315 HydrophobicContact CZ3-CZ 4.4Å; W295-D317 PolarHBondContact N-O 2.8Å; W295-Y319 PolarHBondContact NE1-O 3.28Å; W295-R321 HydrophobicContact CZ2-CB 3.95Å; W295-R321 HydrophobicContact CZ2-CG 4.31Å; W295-W330 HydrophobicContact CH2-CE3 4.37Å; W295-W330 HydrophobicContact CH2-CH2 4.12Å; W295-W330 HydrophobicContact CH2-CZ2 4.42Å; W295-W330 HydrophobicContact CH2-CZ3 4.1Å; W295-W330 HydrophobicContact CZ3-CH2 4.13Å; W295-W330 HydrophobicContact CZ3-CZ3 4.34Å; W295-Y332 HydrophobicContact CE3-CD2 4.42Å; W295-Y332 HydrophobicContact CZ3-CD2 4.01Å; W295-Y332 AromaticContact CZ3-CE2 3.94Å; W295-Y332 HydrophobicContact CZ3-CE2 3.94Å
296	D	91.8	Very high	92.6	Very high	34 Å²	34	47.7 Å²	47.7	18%	0.182	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	11.7	171.5	71.2	-5.2	0	0	0	114.1	K104 R294 P307	K104-D296 VanDerWaalsContact CD-OD2 3.29Å; K104-D296 WeakPolarHBondContact CD-OD2 3.5Å; K104-D296 IonicContact NZ-OD2 2.76Å; K104-D296 PolarHBondContact NZ-OD2 3.24Å; R294-D296 VanDerWaalsContact CB-OD1 3.29Å; R294-D296 WeakPolarHBondContact CB-OD1 3.41Å; R294-D296 IonicContact CZ-OD1 2.71Å; R294-D296 IonicContact CZ-OD2 3.52Å; R294-D296 IonicContact NE-OD1 3.75Å; R294-D296 PolarHBondContact NE-OD1 2.73Å; R294-D296 IonicContact NE-OD2 3.52Å; R294-D296 IonicContact NH2-OD1 2.72Å; R294-D296 PolarHBondContact NH2-OD1 2.99Å; R294-D296 IonicContact NH2-OD2 2.83Å; R294-D296 PolarHBondContact NH2-OD2 2.97Å; R294-D296 PolarHBondContact O-N 3.49Å; D296-P307 HydrophobicContact CB-CG 4.15Å
297	H	91.6	Very high	92.3	Very high	27 Å²	27	49 Å²	49	13%	0.125	25%	0.254	C	S	.	.			trans	-123.6	149.8	177.8	-77	58.5	0	0	0	111.8	I99 D128 Q293 R294 W295 H303	I99-H297 WeakPolarHBondContact CG2-NE2 3.33Å; D128-H297 IonicContact OD1-NE2 3.28Å; Q293-H297 HydrophobicContact CG-CB 4.48Å; Q293-H297 PolarHBondContact NE2-O 2.63Å; R294-H297 HydrophobicContact CB-CB 4.13Å; R294-H297 PolarHBondContact O-N 2.76Å; W295-H297 PolarHBondContact O-N 3.34Å; H297-H303 PolarHBondContact O-NE2 3.43Å; H297-H303 VanDerWaalsContact O-NE2 3.12Å
298	Q	92	Very high	91.8	Very high	63 Å²	63	51.4 Å²	51.4	29%	0.294	27%	0.265	S	S	.	.			trans	-118.9	24.3	-176.5	-70.2	-72.5	-48.2	0	0	112.2	H301 R302 H303 L306	Q298-H301 CarbonylContact C-O 3.49Å; Q298-R302 HydrophobicContact CB-CG 4.37Å; Q298-R302 WeakPolarHBondContact O-CG 3.02Å; Q298-H303 PolarHBondContact NE2-ND1 2.68Å; Q298-H303 PolarHBondContact NE2-O 2.96Å; Q298-H303 PolarHBondContact OE1-O 3.43Å; Q298-L306 HydrophobicContact CG-CD2 4.45Å
299	T	88.1	Confident	91.2	Very high	83 Å²	83	55.1 Å²	55.1	51%	0.509	27%	0.268	S	S	.	.	S	Bend	trans	-144.2	136.8	-177.9	45.4	0	0	0	0	110.6	Q293	Q293-T299 VanDerWaalsContact CD-O 3.23Å; Q293-T299 WeakPolarHBondContact CG-O 3.39Å; Q293-T299 VanDerWaalsContact OE1-C 3.22Å; Q293-T299 PolarHBondContact OE1-O 3.24Å
300	P	91.1	Very high	90.7	Very high	57 Å²	57	56.3 Å²	56.3	37%	0.37	26%	0.259	S	S	.	.	S	Bend	cis	-66.3	-25.7	-2.3	27.2	-35.1	0	0	0	114.8	Q293 T333	Q293-P300 VanDerWaalsContact OE1-CD 3.24Å; P300-T333 WeakPolarHBondContact CG-O 3.43Å
301	H	93.9	Very high	90.2	Very high	18 Å²	18	57.8 Å²	57.8	8%	0.083	28%	0.275	C	S	.	.	S	Bend	trans	-103.7	125.3	-172.1	-61.1	-57	0	0	0	112.5	Q293 Q298 H303 Y332 T333 D335 T338 R339	Q293-H301 PolarHBondContact NE2-O 2.94Å; Q293-H301 PolarHBondContact OE1-O 3.01Å; Q298-H301 CarbonylContact C-O 3.49Å; H301-H303 PolarHBondContact O-CD2 3.14Å; H301-Y332 HydrophobicContact CB-CD1 4.19Å; H301-T333 PolarHBondContact CD2-O 3.04Å; H301-D335 PolarHBondContact NE2-O 2.95Å; H301-T338 PolarHBondContact NE2-O 2.71Å; H301-R339 PolarHBondContact CD2-O 3.44Å; H301-R339 WeakPolarHBondContact NE2-CA 3.39Å
302	R	92.8	Very high	89.5	Confident	199 Å²	199	63.1 Å²	63.1	75%	0.751	30%	0.304	S	S	*	.			trans	-77.1	140.8	168.5	-64.8	-174	179.7	-176.5	0.2	111.2	Q298 R339	Q298-R302 HydrophobicContact CB-CG 4.37Å; Q298-R302 WeakPolarHBondContact O-CG 3.02Å; R302-R339 PolarHBondContact O-NH1 3.33Å; R302-R339 PolarHBondContact O-NH2 3.35Å
303	H	92.4	Very high	88.9	Confident	15 Å²	15	66.9 Å²	66.9	7%	0.069	32%	0.32	C	S	.	.			trans	-155.9	155.8	-176.4	56.3	80	0	0	0	115	Q293 W295 H297 Q298 H301 F305 Y332	Q293-H303 PolarHBondContact NE2-CD2 2.96Å; Q293-H303 PolarHBondContact NE2-NE2 3.42Å; Q293-H303 VanDerWaalsContact NE2-NE2 3.17Å; W295-H303 PolarHBondContact O-CE1 2.79Å; H297-H303 PolarHBondContact O-NE2 3.43Å; H297-H303 VanDerWaalsContact O-NE2 3.12Å; Q298-H303 PolarHBondContact NE2-ND1 2.68Å; Q298-H303 PolarHBondContact NE2-O 2.96Å; Q298-H303 PolarHBondContact OE1-O 3.43Å; H301-H303 PolarHBondContact O-CD2 3.14Å; H303-F305 PolarHBondContact CE1-O 2.98Å; H303-F305 PolarHBondContact ND1-O 2.93Å; H303-Y332 HydrophobicContact CB-CD2 3.97Å; H303-Y332 HydrophobicContact CB-CE1 3.99Å; H303-Y332 HydrophobicContact CB-CE2 3.24Å; H303-Y332 WeakPolarHBondContact CB-OH 3.27Å; H303-Y332 AromaticContact CD2-CD2 3.19Å; H303-Y332 WeakPolarHBondContact CD2-CD2 3.4Å; H303-Y332 AromaticContact CD2-CE2 3.44Å; H303-Y332 VanDerWaalsContact CD2-CE2 3.44Å; H303-Y332 WeakPolarHBondContact CD2-CE2 3.34Å; H303-Y332 AromaticContact CD2-CG 3.7Å; H303-Y332 AromaticContact CG-CD2 3.56Å; H303-Y332 AromaticContact CG-CE2 3.26Å; H303-Y332 AromaticContact CG-CZ 3.86Å; H303-Y332 AromaticContact ND1-CE2 3.82Å; H303-Y332 AromaticContact NE2-CD2 3.6Å
304	K	90.3	Very high	88.5	Confident	130 Å²	130	67.3 Å²	67.3	57%	0.565	33%	0.325	S	S	*	.	S	Bend	trans	-72.1	-27	-179.9	67.4	178.7	-176.4	177.3	0	114.5	L306	K304-L306 PolarHBondContact O-N 2.81Å
305	F	90.9	Very high	88.3	Confident	12 Å²	12	67.7 Å²	67.7	5%	0.053	33%	0.327	C	S	.	.			trans	-79.4	87	-173.4	-60.5	-68.9	0	0	0	111.2	W295 H303 Y310 F315 P323 D324 W330 Y332	W295-F305 HydrophobicContact CE3-CB 3.86Å; W295-F305 HydrophobicContact CZ3-CB 3.84Å; W295-F305 HydrophobicContact CZ3-CD2 4.42Å; W295-F305 HydrophobicContact CZ3-CG 4.35Å; H303-F305 PolarHBondContact CE1-O 2.98Å; H303-F305 PolarHBondContact ND1-O 2.93Å; F305-Y310 HydrophobicContact CD1-CE2 4.42Å; F305-F315 HydrophobicContact CB-CE1 4.38Å; F305-F315 HydrophobicContact CB-CE2 3.86Å; F305-F315 HydrophobicContact CB-CZ 3.62Å; F305-F315 HydrophobicContact CD1-CE2 4.32Å; F305-F315 AromaticContact CD1-CZ 3.82Å; F305-F315 HydrophobicContact CD1-CZ 3.82Å; F305-F315 HydrophobicContact CG-CZ 4.04Å; F305-P323 HydrophobicContact CD1-CB 3.99Å; F305-P323 HydrophobicContact CD1-CG 3.83Å; F305-P323 HydrophobicContact CE1-CB 3.92Å; F305-P323 HydrophobicContact CE1-CG 3.7Å; F305-P323 HydrophobicContact CE2-CG 4.46Å; F305-P323 HydrophobicContact CG-CG 4.25Å; F305-P323 HydrophobicContact CZ-CG 4.02Å; F305-D324 HydrophobicContact CE1-CB 4.12Å; F305-D324 HydrophobicContact CZ-CB 3.72Å; F305-W330 AromaticContact CD2-CH2 3.81Å; F305-W330 HydrophobicContact CD2-CH2 3.81Å; F305-W330 HydrophobicContact CD2-CZ2 4.13Å; F305-W330 AromaticContact CE2-CH2 3.67Å; F305-W330 HydrophobicContact CE2-CH2 3.67Å; F305-W330 AromaticContact CE2-CZ2 3.67Å; F305-W330 HydrophobicContact CE2-CZ2 3.67Å; F305-W330 HydrophobicContact CZ-CZ2 4.24Å; F305-Y332 HydrophobicContact CD2-CE2 4.02Å; F305-Y332 WeakPolarHBondContact CD2-OH 3.26Å
306	L	88.9	Confident	87.9	Confident	56 Å²	56	72 Å²	72	29%	0.293	35%	0.35	S	S	.	.			trans	-107.1	139.6	175.7	-73.7	170.5	0	0	0	110.1	Q298 K304 E308 R309 Y310	Q298-L306 HydrophobicContact CG-CD2 4.45Å; K304-L306 PolarHBondContact O-N 2.81Å; L306-E308 PolarHBondContact O-N 3.48Å; L306-R309 HydrophobicContact CB-CB 4.36Å; L306-R309 PolarHBondContact O-N 2.83Å; L306-Y310 PolarHBondContact O-N 3.09Å
307	P	88.3	Confident	87.9	Confident	32 Å²	32	70.9 Å²	70.9	21%	0.208	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-54.4	-38.1	174.7	-23.5	31.4	0	0	0	113	W295 D296 R309 Y310 F315	W295-P307 HydrophobicContact CB-CG 4.09Å; W295-P307 WeakPolarHBondContact O-CD 3.45Å; D296-P307 HydrophobicContact CB-CG 4.15Å; P307-R309 PolarHBondContact O-N 3.34Å; P307-Y310 CarbonylContact O-C 3.59Å; P307-Y310 PolarHBondContact O-N 3.36Å; P307-F315 HydrophobicContact CB-CB 4.09Å; P307-F315 HydrophobicContact CG-CB 3.78Å
308	E	83.7	Confident	88	Confident	140 Å²	140	69.6 Å²	69.6	65%	0.654	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-67.3	-16	179.8	-60.8	78.1	-172	0	0	113.5	L306	L306-E308 PolarHBondContact O-N 3.48Å
309	R	80.9	Confident	88.1	Confident	150 Å²	150	67 Å²	67	57%	0.566	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-104	-18.2	177.9	-174.1	173	178.2	143.6	6.2	113.1	L306 P307	L306-R309 HydrophobicContact CB-CB 4.36Å; L306-R309 PolarHBondContact O-N 2.83Å; P307-R309 PolarHBondContact O-N 3.34Å
310	Y	81.7	Confident	88.5	Confident	71 Å²	71	63.1 Å²	63.1	28%	0.278	30%	0.302	S	S	.	.			trans	-145.6	67.9	-173	-58.6	-79.4	0	0	0	110.8	F305 L306 P307 D312 K313 F315	F305-Y310 HydrophobicContact CD1-CE2 4.42Å; L306-Y310 PolarHBondContact O-N 3.09Å; P307-Y310 CarbonylContact O-C 3.59Å; P307-Y310 PolarHBondContact O-N 3.36Å; Y310-D312 VanDerWaalsContact C-N 3.32Å; Y310-D312 PolarHBondContact O-N 3.27Å; Y310-K313 PolarHBondContact O-N 3.49Å; Y310-F315 AromaticContact CD2-CE2 3.95Å; Y310-F315 HydrophobicContact CD2-CE2 3.95Å; Y310-F315 HydrophobicContact CG-CE2 4.08Å
311	P	82.8	Confident	88.7	Confident	93 Å²	93	60.5 Å²	60.5	60%	0.604	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-59.7	-41.6	-174.8	21.9	-30.9	0	0	0	112.5	K313 G314	P311-K313 VanDerWaalsContact C-N 3.3Å; P311-K313 PolarHBondContact O-N 2.68Å; P311-G314 PolarHBondContact O-N 3.29Å
312	D	78.1	Confident	88.7	Confident	139 Å²	139	59.7 Å²	59.7	74%	0.743	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-76.1	-17.8	-170.8	-38.8	-72.7	0	0	0	113.4	R280 Y310 G314	R280-D312 PolarHBondContact NH2-O 2.98Å; Y310-D312 VanDerWaalsContact C-N 3.32Å; Y310-D312 PolarHBondContact O-N 3.27Å; D312-G314 PolarHBondContact O-N 3.1Å
313	K	82.6	Confident	88.5	Confident	78 Å²	78	50.8 Å²	50.8	34%	0.339	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-72.7	-1.1	173.2	-65.7	-68.7	-175.1	162.2	0	112.7	Y310 P311 F315 P323	Y310-K313 PolarHBondContact O-N 3.49Å; P311-K313 VanDerWaalsContact C-N 3.3Å; P311-K313 PolarHBondContact O-N 2.68Å; K313-F315 HydrophobicContact CB-CD2 4.32Å; K313-F315 HydrophobicContact CB-CE1 4.38Å; K313-F315 HydrophobicContact CB-CE2 4.05Å; K313-F315 HydrophobicContact CB-CZ 4.06Å; K313-F315 PolarHBondContact O-N 3.22Å; K313-P323 HydrophobicContact CD-CB 4.37Å; K313-P323 WeakPolarHBondContact CE-O 3.45Å; K313-P323 HydrophobicContact CG-CB 4.48Å; K313-P323 PolarHBondContact NZ-O 3.42Å
314	G	86.6	Confident	88	Confident	12 Å²	12	52.8 Å²	52.8	12%	0.124	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	42.7	168.8	0	0	0	0	0	113.3	P311 D312 D316 R321	P311-G314 PolarHBondContact O-N 3.29Å; D312-G314 PolarHBondContact O-N 3.1Å; G314-D316 PolarHBondContact O-N 2.79Å; G314-R321 PolarHBondContact O-NE 3.28Å; G314-R321 PolarHBondContact O-NH2 3.07Å
315	F	91.4	Very high	87.5	Confident	11 Å²	11	46.9 Å²	46.9	5%	0.048	24%	0.236	C	C	.	.			trans	-73.7	52.2	-178.2	-70.8	-41.8	0	0	0	113.5	W295 F305 P307 Y310 K313 D317 R321 P323	W295-F315 HydrophobicContact CB-CB 3.79Å; W295-F315 HydrophobicContact CB-CD1 4.38Å; W295-F315 HydrophobicContact CB-CG 4.18Å; W295-F315 AromaticContact CD2-CD1 3.53Å; W295-F315 HydrophobicContact CD2-CD1 3.53Å; W295-F315 AromaticContact CD2-CE1 3.88Å; W295-F315 HydrophobicContact CD2-CE1 3.88Å; W295-F315 HydrophobicContact CD2-CG 4.2Å; W295-F315 AromaticContact CE2-CD1 3.79Å; W295-F315 AromaticContact CE3-CD1 3.85Å; W295-F315 HydrophobicContact CE3-CD1 3.85Å; W295-F315 AromaticContact CE3-CE1 3.74Å; W295-F315 HydrophobicContact CE3-CE1 3.74Å; W295-F315 HydrophobicContact CE3-CZ 4.3Å; W295-F315 HydrophobicContact CG-CB 3.89Å; W295-F315 AromaticContact CG-CD1 3.76Å; W295-F315 HydrophobicContact CG-CD1 3.76Å; W295-F315 HydrophobicContact CG-CG 4.04Å; W295-F315 HydrophobicContact CH2-CE1 4.12Å; W295-F315 HydrophobicContact CZ2-CD1 4.35Å; W295-F315 HydrophobicContact CZ2-CE1 4.25Å; W295-F315 HydrophobicContact CZ3-CD1 4.38Å; W295-F315 AromaticContact CZ3-CE1 3.86Å; W295-F315 HydrophobicContact CZ3-CE1 3.86Å; W295-F315 HydrophobicContact CZ3-CZ 4.4Å; F305-F315 HydrophobicContact CB-CE1 4.38Å; F305-F315 HydrophobicContact CB-CE2 3.86Å; F305-F315 HydrophobicContact CB-CZ 3.62Å; F305-F315 HydrophobicContact CD1-CE2 4.32Å; F305-F315 AromaticContact CD1-CZ 3.82Å; F305-F315 HydrophobicContact CD1-CZ 3.82Å; F305-F315 HydrophobicContact CG-CZ 4.04Å; P307-F315 HydrophobicContact CB-CB 4.09Å; P307-F315 HydrophobicContact CG-CB 3.78Å; Y310-F315 AromaticContact CD2-CE2 3.95Å; Y310-F315 HydrophobicContact CD2-CE2 3.95Å; Y310-F315 HydrophobicContact CG-CE2 4.08Å; K313-F315 HydrophobicContact CB-CD2 4.32Å; K313-F315 HydrophobicContact CB-CE1 4.38Å; K313-F315 HydrophobicContact CB-CE2 4.05Å; K313-F315 HydrophobicContact CB-CZ 4.06Å; K313-F315 PolarHBondContact O-N 3.22Å; F315-D317 PolarHBondContact O-N 3Å; F315-R321 HydrophobicContact CD1-CB 4.42Å; F315-R321 HydrophobicContact CD1-CG 4.22Å; F315-R321 HydrophobicContact CE1-CB 4.3Å; F315-P323 HydrophobicContact CE1-CB 3.69Å; F315-P323 HydrophobicContact CE1-CG 3.86Å; F315-P323 HydrophobicContact CZ-CB 3.39Å; F315-P323 HydrophobicContact CZ-CG 3.81Å
316	D	86.2	Confident	87.3	Confident	91 Å²	91	48.9 Å²	48.9	49%	0.487	25%	0.245	S	C	.	.			trans	-65.1	121	172.7	-63.7	-71.4	0	0	0	110.8	G314 N318 Y319 R321	G314-D316 PolarHBondContact O-N 2.79Å; D316-N318 PolarHBondContact O-N 2.63Å; D316-Y319 HydrophobicContact CB-CD2 3.78Å; D316-Y319 HydrophobicContact CB-CE2 4.13Å; D316-Y319 WeakPolarHBondContact O-CD2 3.25Å; D316-Y319 PolarHBondContact O-N 2.89Å; D316-R321 IonicContact OD2-NH2 3.8Å
317	D	90.7	Very high	87.1	Confident	12 Å²	12	47.2 Å²	47.2	6%	0.064	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	-117	167.6	-148.4	-68.9	0	0	0	113.6	K103 K104 K182 R294 W295 F315 Y319	K103-D317 VanDerWaalsContact CA-OD2 3.24Å; K103-D317 WeakPolarHBondContact CA-OD2 3Å; K104-D317 PolarHBondContact N-OD2 3.02Å; K104-D317 VanDerWaalsContact N-OD2 3.09Å; K182-D317 WeakPolarHBondContact CE-OD1 3.41Å; K182-D317 IonicContact NZ-OD1 3.93Å; K182-D317 PolarHBondContact NZ-OD1 3.44Å; R294-D317 CarbonylContact C-O 3.57Å; R294-D317 WeakPolarHBondContact CA-O 3.03Å; R294-D317 WeakPolarHBondContact CB-O 3.48Å; R294-D317 IonicContact CZ-OD1 3.56Å; R294-D317 IonicContact CZ-OD2 2.74Å; R294-D317 IonicContact NH1-OD1 2.91Å; R294-D317 PolarHBondContact NH1-OD1 2.86Å; R294-D317 IonicContact NH1-OD2 3.78Å; R294-D317 PolarHBondContact NH1-OD2 3.04Å; R294-D317 IonicContact NH2-OD2 3.27Å; W295-D317 PolarHBondContact N-O 2.8Å; F315-D317 PolarHBondContact O-N 3Å; D317-Y319 HydrophobicContact CB-CD2 4.05Å; D317-Y319 HydrophobicContact CB-CE2 3.76Å
318	N	94.3	Very high	87.2	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.6	18.7	174.2	68.3	-21.1	0	0	0	111.8	K182 D284 C292 Q293 R294 D316	K182-N318 VanDerWaalsContact NZ-CG 3.32Å; K182-N318 PolarHBondContact NZ-OD1 2.86Å; D284-N318 WeakPolarHBondContact CB-OD1 3.38Å; D284-N318 PolarHBondContact OD2-ND2 3.07Å; D284-N318 PolarHBondContact OD2-OD1 3.23Å; C292-N318 HydrophobicContact CB-CB 3.92Å; C292-N318 WeakPolarHBondContact CB-O 3.35Å; C292-N318 WeakPolarHBondContact O-CB 3.21Å; C292-N318 PolarHBondContact O-ND2 2.84Å; Q293-N318 VanDerWaalsContact O-CB 3.23Å; Q293-N318 WeakPolarHBondContact O-CB 3.37Å; R294-N318 HydrophobicContact CB-CB 4.3Å; R294-N318 HydrophobicContact CG-CB 3.83Å; D316-N318 PolarHBondContact O-N 2.63Å
319	Y	94.9	Very high	87.7	Confident	9 Å²	9	42.5 Å²	42.5	4%	0.035	21%	0.21	C	C	.	.			trans	-67.2	146.8	-177.4	-56.7	-59	0	0	0	110.6	L282 M283 D284 W295 D316 D317	L282-Y319 VanDerWaalsContact C-CD1 3.48Å; L282-Y319 HydrophobicContact CB-CD1 4.49Å; L282-Y319 HydrophobicContact CB-CE1 4.23Å; L282-Y319 HydrophobicContact CD2-CE1 4.15Å; L282-Y319 HydrophobicContact CD2-CE2 4.19Å; L282-Y319 WeakPolarHBondContact O-CD1 3.19Å; L282-Y319 WeakPolarHBondContact O-CE1 3.5Å; M283-Y319 CarbonylContact O-C 3.59Å; M283-Y319 VanDerWaalsContact O-CA 3.25Å; M283-Y319 WeakPolarHBondContact O-CA 3.3Å; D284-Y319 HydrophobicContact CB-CD1 3.93Å; D284-Y319 HydrophobicContact CB-CE1 4.39Å; W295-Y319 PolarHBondContact NE1-O 3.28Å; D316-Y319 HydrophobicContact CB-CD2 3.78Å; D316-Y319 HydrophobicContact CB-CE2 4.13Å; D316-Y319 WeakPolarHBondContact O-CD2 3.25Å; D316-Y319 PolarHBondContact O-N 2.89Å; D317-Y319 HydrophobicContact CB-CD2 4.05Å; D317-Y319 HydrophobicContact CB-CE2 3.76Å
320	C	96.3	Very high	88.5	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.184	C	C	.	.			trans	-61.9	137.3	177.7	-54.1	0	0	0	0	110.4	Y279 M283 P329 W330 C343 I345	Y279-C320 WeakPolarHBondContact CD1-O 3.41Å; Y279-C320 WeakPolarHBondContact CE1-O 3.47Å; M283-C320 PolarHBondContact O-N 2.69Å; M283-C320 PolarHBondContact O-SG 3.36Å; M283-C320 VanDerWaalsContact O-SG 3.38Å; C320-P329 HydrophobicContact CB-CB 4.34Å; C320-W330 WeakPolarHBondContact CA-O 3.4Å; C320-C343 HydrophobicContact CB-CB 3.62Å; C320-C343 WeakPolarHBondContact CB-SG 3.48Å; C320-C343 WeakPolarHBondContact SG-CB 3.3Å; C320-C343 CovalentContact SG-SG 2.03Å; C320-C343 PolarHBondContact SG-SG 3.23Å; C320-I345 HydrophobicContact CB-CD1 3.99Å
321	R	96.1	Very high	89.2	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.008	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-142.8	161.7	-179.8	-63.9	-62.7	178.4	-111.6	9.2	109.6	Y279 R280 G281 W295 G314 F315 D316 P323 P329 W330	Y279-R321 VanDerWaalsContact O-CD 3.3Å; Y279-R321 WeakPolarHBondContact O-CD 3.16Å; R280-R321 PolarHBondContact O-NH1 2.91Å; R280-R321 PolarHBondContact O-NH2 2.58Å; G281-R321 PolarHBondContact O-NH1 2.87Å; W295-R321 HydrophobicContact CZ2-CB 3.95Å; W295-R321 HydrophobicContact CZ2-CG 4.31Å; G314-R321 PolarHBondContact O-NE 3.28Å; G314-R321 PolarHBondContact O-NH2 3.07Å; F315-R321 HydrophobicContact CD1-CB 4.42Å; F315-R321 HydrophobicContact CD1-CG 4.22Å; F315-R321 HydrophobicContact CE1-CB 4.3Å; D316-R321 IonicContact OD2-NH2 3.8Å; R321-P323 WeakPolarHBondContact O-CD 3.19Å; R321-P329 WeakPolarHBondContact O-CA 3.49Å; R321-W330 PolarHBondContact N-O 2.87Å; R321-W330 VanDerWaalsContact N-O 3.07Å; R321-W330 PolarHBondContact O-N 2.93Å; R321-W330 VanDerWaalsContact O-O 3.12Å
322	N	92.5	Very high	89.9	Confident	2 Å²	2	28.7 Å²	28.7	1%	0.011	15%	0.146	C	C	.	.			trans	-119.7	81.4	169.3	-171	3.5	0	0	0	109.9	N275 G276 E277 D324 G325 Q326 P329	N275-N322 PolarHBondContact O-ND2 2.85Å; G276-N322 WeakPolarHBondContact O-CB 3.4Å; E277-N322 HydrophobicContact CG-CB 4.47Å; N322-D324 VanDerWaalsContact C-N 3.33Å; N322-G325 PolarHBondContact OD1-N 2.7Å; N322-Q326 PolarHBondContact ND2-O 3.19Å; N322-Q326 PolarHBondContact OD1-N 3.16Å; N322-P329 HydrophobicContact CB-CB 4.34Å; N322-P329 HydrophobicContact CB-CG 4.32Å
323	P	88.6	Confident	90.8	Very high	11 Å²	11	22.1 Å²	22.1	7%	0.071	11%	0.11	C	C	.	.	S	Bend	trans	-78.2	-18.6	-175.1	32	-35.9	0	0	0	114.1	F305 K313 F315 R321 W330	F305-P323 HydrophobicContact CD1-CB 3.99Å; F305-P323 HydrophobicContact CD1-CG 3.83Å; F305-P323 HydrophobicContact CE1-CB 3.92Å; F305-P323 HydrophobicContact CE1-CG 3.7Å; F305-P323 HydrophobicContact CE2-CG 4.46Å; F305-P323 HydrophobicContact CG-CG 4.25Å; F305-P323 HydrophobicContact CZ-CG 4.02Å; K313-P323 HydrophobicContact CD-CB 4.37Å; K313-P323 WeakPolarHBondContact CE-O 3.45Å; K313-P323 HydrophobicContact CG-CB 4.48Å; K313-P323 PolarHBondContact NZ-O 3.42Å; F315-P323 HydrophobicContact CE1-CB 3.69Å; F315-P323 HydrophobicContact CE1-CG 3.86Å; F315-P323 HydrophobicContact CZ-CB 3.39Å; F315-P323 HydrophobicContact CZ-CG 3.81Å; R321-P323 WeakPolarHBondContact O-CD 3.19Å; P323-W330 HydrophobicContact CG-CZ2 4.03Å
324	D	81.7	Confident	91.3	Very high	58 Å²	58	20.1 Å²	20.1	31%	0.31	10%	0.103	S	C	.	.	S	Bend	trans	-130.6	25.5	-163.3	63.2	-41.1	0	0	0	114.1	F305 N322 Q326 W330	F305-D324 HydrophobicContact CE1-CB 4.12Å; F305-D324 HydrophobicContact CZ-CB 3.72Å; N322-D324 VanDerWaalsContact C-N 3.33Å; D324-Q326 VanDerWaalsContact C-N 3.34Å; D324-Q326 PolarHBondContact O-N 2.63Å; D324-Q326 WeakPolarHBondContact OD1-CG 3.39Å; D324-Q326 PolarHBondContact OD2-NE2 3.14Å; D324-W330 WeakPolarHBondContact OD1-CZ2 3.32Å; D324-W330 PolarHBondContact OD1-NE1 3.04Å
325	G	79.5	Confident	91.5	Very high	6 Å²	6	21.7 Å²	21.7	6%	0.062	11%	0.109	C	C	.	.			trans	68	28	169.9	0	0	0	0	0	114.7	N322 F404	N322-G325 PolarHBondContact OD1-N 2.7Å; G325-F404 VanDerWaalsContact O-CE1 3.24Å; G325-F404 WeakPolarHBondContact O-CE1 3.47Å; G325-F404 VanDerWaalsContact O-CZ 3.26Å; G325-F404 WeakPolarHBondContact O-CZ 3.31Å
326	Q	86.6	Confident	91.5	Very high	53 Å²	53	24.8 Å²	24.8	25%	0.248	13%	0.13	C	C	.	.			trans	-67.3	163.6	174.6	-62.2	-63.4	-22.6	0	0	111.4	N322 D324 R328 Y342	N322-Q326 PolarHBondContact ND2-O 3.19Å; N322-Q326 PolarHBondContact OD1-N 3.16Å; D324-Q326 VanDerWaalsContact C-N 3.34Å; D324-Q326 PolarHBondContact O-N 2.63Å; D324-Q326 WeakPolarHBondContact OD1-CG 3.39Å; D324-Q326 PolarHBondContact OD2-NE2 3.14Å; Q326-R328 PolarHBondContact O-N 2.84Å; Q326-R328 VanDerWaalsContact O-N 3.15Å; Q326-Y342 HydrophobicContact CB-CE1 4.17Å
327	P	85.9	Confident	91.8	Very high	21 Å²	21	28.2 Å²	28.2	14%	0.136	14%	0.143	C	C	.	.	S	Bend	trans	-55.5	-30.2	175.4	-29.6	35.8	0	0	0	115.5	N275 N403 F404	N275-P327 PolarHBondContact ND2-O 2.89Å; P327-N403 HydrophobicContact CB-CB 4.24Å; P327-N403 HydrophobicContact CG-CB 4.16Å; P327-F404 HydrophobicContact CG-CE2 4.07Å; P327-F404 HydrophobicContact CG-CZ 4.22Å
328	R	89.8	Confident	92	Very high	74 Å²	74	29 Å²	29	28%	0.279	15%	0.148	S	C	.	.	S	Bend	trans	-148.5	160.6	179.4	-64.9	-176.7	-68.3	147.2	0.5	111	M272 E287 Q326 Y342	M272-R328 HydrophobicContact CE-CG 4.18Å; E287-R328 IonicContact OE1-NH2 2.72Å; E287-R328 PolarHBondContact OE1-NH2 2.82Å; E287-R328 VanDerWaalsContact OE1-NH2 3.16Å; E287-R328 IonicContact OE2-CZ 2.71Å; E287-R328 IonicContact OE2-NH1 3.32Å; E287-R328 PolarHBondContact OE2-NH1 2.03Å; E287-R328 IonicContact OE2-NH2 3.32Å; E287-R328 PolarHBondContact OE2-NH2 2.75Å; Q326-R328 PolarHBondContact O-N 2.84Å; Q326-R328 VanDerWaalsContact O-N 3.15Å; R328-Y342 HydrophobicContact CB-CD1 3.82Å; R328-Y342 HydrophobicContact CB-CE1 4.29Å; R328-Y342 HydrophobicContact CB-CG 4.49Å; R328-Y342 WeakPolarHBondContact O-CD1 3.35Å; R328-Y342 WeakPolarHBondContact O-CE1 3.32Å
329	P	95.1	Very high	92	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.168	C	C	.	.			trans	-62.4	145	171.7	-19	32.5	0	0	0	112.3	M272 N275 Y279 C320 R321 N322 C343 I345	M272-P329 WeakPolarHBondContact SD-CD 3.1Å; M272-P329 HydrophobicContact SD-CG 4Å; N275-P329 WeakPolarHBondContact O-CD 3.01Å; Y279-P329 HydrophobicContact CD1-CB 4.46Å; Y279-P329 HydrophobicContact CD1-CG 4.43Å; C320-P329 HydrophobicContact CB-CB 4.34Å; R321-P329 WeakPolarHBondContact O-CA 3.49Å; N322-P329 HydrophobicContact CB-CB 4.34Å; N322-P329 HydrophobicContact CB-CG 4.32Å; P329-C343 PolarHBondContact O-N 3.1Å; P329-I345 HydrophobicContact CB-CD1 3.72Å; P329-I345 HydrophobicContact CG-CD1 3.89Å
330	W	96.2	Very high	92.1	Very high	6 Å²	6	38.8 Å²	38.8	2%	0.023	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	175.1	-170.9	63.1	-89.7	0	0	0	110.8	W295 F305 C320 R321 P323 D324 Y332 W340 E341 Y342	W295-W330 HydrophobicContact CH2-CE3 4.37Å; W295-W330 HydrophobicContact CH2-CH2 4.12Å; W295-W330 HydrophobicContact CH2-CZ2 4.42Å; W295-W330 HydrophobicContact CH2-CZ3 4.1Å; W295-W330 HydrophobicContact CZ3-CH2 4.13Å; W295-W330 HydrophobicContact CZ3-CZ3 4.34Å; F305-W330 AromaticContact CD2-CH2 3.81Å; F305-W330 HydrophobicContact CD2-CH2 3.81Å; F305-W330 HydrophobicContact CD2-CZ2 4.13Å; F305-W330 AromaticContact CE2-CH2 3.67Å; F305-W330 HydrophobicContact CE2-CH2 3.67Å; F305-W330 AromaticContact CE2-CZ2 3.67Å; F305-W330 HydrophobicContact CE2-CZ2 3.67Å; F305-W330 HydrophobicContact CZ-CZ2 4.24Å; C320-W330 WeakPolarHBondContact CA-O 3.4Å; R321-W330 PolarHBondContact N-O 2.87Å; R321-W330 VanDerWaalsContact N-O 3.07Å; R321-W330 PolarHBondContact O-N 2.93Å; R321-W330 VanDerWaalsContact O-O 3.12Å; P323-W330 HydrophobicContact CG-CZ2 4.03Å; D324-W330 WeakPolarHBondContact OD1-CZ2 3.32Å; D324-W330 PolarHBondContact OD1-NE1 3.04Å; W330-Y332 HydrophobicContact CH2-CD2 4.27Å; W330-Y332 HydrophobicContact CH2-CE1 4.26Å; W330-Y332 AromaticContact CH2-CE2 3.54Å; W330-Y332 HydrophobicContact CH2-CE2 3.54Å; W330-Y332 AromaticContact CH2-CZ 3.52Å; W330-Y332 HydrophobicContact CZ3-CD1 4.2Å; W330-Y332 AromaticContact CZ3-CD2 3.81Å; W330-Y332 HydrophobicContact CZ3-CD2 3.81Å; W330-Y332 AromaticContact CZ3-CE1 3.91Å; W330-Y332 HydrophobicContact CZ3-CE1 3.91Å; W330-Y332 AromaticContact CZ3-CE2 3.53Å; W330-Y332 HydrophobicContact CZ3-CE2 3.53Å; W330-Y332 HydrophobicContact CZ3-CG 4.13Å; W330-Y332 AromaticContact CZ3-CZ 3.56Å; W330-W340 HydrophobicContact CB-CE3 4Å; W330-W340 HydrophobicContact CB-CZ3 4.2Å; W330-W340 HydrophobicContact CD2-CE3 4.14Å; W330-W340 HydrophobicContact CE3-CB 3.81Å; W330-W340 HydrophobicContact CE3-CD2 4.28Å; W330-W340 HydrophobicContact CE3-CE3 4.02Å; W330-W340 HydrophobicContact CE3-CG 4.23Å; W330-W340 HydrophobicContact CG-CE3 4.16Å; W330-W340 HydrophobicContact CG-CZ3 4.37Å; W330-W340 HydrophobicContact CZ3-CB 3.91Å; W330-W340 HydrophobicContact CZ3-CG 4.36Å; W330-E341 WeakPolarHBondContact CA-O 3.27Å; W330-E341 WeakPolarHBondContact CB-O 3.35Å; W330-Y342 HydrophobicContact CB-CD1 3.98Å; W330-Y342 HydrophobicContact CB-CE1 4.47Å
331	C	97.6	Very high	92.2	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	156.7	169.4	68.7	0	0	0	0	111.9	C292 W340 E341	C292-C331 VanDerWaalsContact CA-SG 3.51Å; C292-C331 HydrophobicContact CB-CB 3.56Å; C292-C331 WeakPolarHBondContact CB-SG 3.46Å; C292-C331 WeakPolarHBondContact SG-CB 3.45Å; C292-C331 CovalentContact SG-SG 2.03Å; C292-C331 PolarHBondContact SG-SG 3.16Å; C331-W340 WeakPolarHBondContact O-CA 3.33Å; C331-W340 WeakPolarHBondContact O-CB 3.29Å; C331-E341 PolarHBondContact N-O 2.71Å; C331-E341 VanDerWaalsContact N-O 3.09Å; C331-E341 PolarHBondContact O-N 3.34Å
332	Y	97.2	Very high	92.2	Very high	18 Å²	18	42.2 Å²	42.2	7%	0.071	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	145.7	160.5	-65.6	-72.8	0	0	0	109.2	C292 Q293 W295 H301 H303 F305 W330 R339 W340	C292-Y332 CarbonylContact C-O 3.53Å; C292-Y332 WeakPolarHBondContact CA-O 3.46Å; Q293-Y332 WeakPolarHBondContact CB-O 3.46Å; Q293-Y332 PolarHBondContact N-O 3.27Å; W295-Y332 HydrophobicContact CE3-CD2 4.42Å; W295-Y332 HydrophobicContact CZ3-CD2 4.01Å; W295-Y332 AromaticContact CZ3-CE2 3.94Å; W295-Y332 HydrophobicContact CZ3-CE2 3.94Å; H301-Y332 HydrophobicContact CB-CD1 4.19Å; H303-Y332 HydrophobicContact CB-CD2 3.97Å; H303-Y332 HydrophobicContact CB-CE1 3.99Å; H303-Y332 HydrophobicContact CB-CE2 3.24Å; H303-Y332 WeakPolarHBondContact CB-OH 3.27Å; H303-Y332 AromaticContact CD2-CD2 3.19Å; H303-Y332 WeakPolarHBondContact CD2-CD2 3.4Å; H303-Y332 AromaticContact CD2-CE2 3.44Å; H303-Y332 VanDerWaalsContact CD2-CE2 3.44Å; H303-Y332 WeakPolarHBondContact CD2-CE2 3.34Å; H303-Y332 AromaticContact CD2-CG 3.7Å; H303-Y332 AromaticContact CG-CD2 3.56Å; H303-Y332 AromaticContact CG-CE2 3.26Å; H303-Y332 AromaticContact CG-CZ 3.86Å; H303-Y332 AromaticContact ND1-CE2 3.82Å; H303-Y332 AromaticContact NE2-CD2 3.6Å; F305-Y332 HydrophobicContact CD2-CE2 4.02Å; F305-Y332 WeakPolarHBondContact CD2-OH 3.26Å; W330-Y332 HydrophobicContact CH2-CD2 4.27Å; W330-Y332 HydrophobicContact CH2-CE1 4.26Å; W330-Y332 AromaticContact CH2-CE2 3.54Å; W330-Y332 HydrophobicContact CH2-CE2 3.54Å; W330-Y332 AromaticContact CH2-CZ 3.52Å; W330-Y332 HydrophobicContact CZ3-CD1 4.2Å; W330-Y332 AromaticContact CZ3-CD2 3.81Å; W330-Y332 HydrophobicContact CZ3-CD2 3.81Å; W330-Y332 AromaticContact CZ3-CE1 3.91Å; W330-Y332 HydrophobicContact CZ3-CE1 3.91Å; W330-Y332 AromaticContact CZ3-CE2 3.53Å; W330-Y332 HydrophobicContact CZ3-CE2 3.53Å; W330-Y332 HydrophobicContact CZ3-CG 4.13Å; W330-Y332 AromaticContact CZ3-CZ 3.56Å; Y332-R339 WeakPolarHBondContact CA-O 3.47Å; Y332-R339 HydrophobicContact CD1-CG 4.24Å; Y332-R339 WeakPolarHBondContact CD1-O 3.3Å; Y332-R339 HydrophobicContact CE1-CG 4.35Å; Y332-W340 HydrophobicContact CD1-CB 3.95Å; Y332-W340 HydrophobicContact CE1-CB 4.25Å
333	T	96.3	Very high	92.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-105.9	160.3	-175.2	98.5	0	0	0	0	112.9	T286 K290 P300 H301 D335 T338 R339 E341	T286-T333 HydrophobicContact CG2-CG2 3.89Å; K290-T333 HydrophobicContact CD-CG2 4.42Å; P300-T333 WeakPolarHBondContact CG-O 3.43Å; H301-T333 PolarHBondContact CD2-O 3.04Å; T333-D335 PolarHBondContact O-N 2.85Å; T333-D335 WeakPolarHBondContact OG1-CB 3.47Å; T333-D335 PolarHBondContact OG1-N 2.87Å; T333-D335 PolarHBondContact OG1-O 3.18Å; T333-T338 HydrophobicContact CG2-CG2 3.73Å; T333-T338 WeakPolarHBondContact CG2-O 3.21Å; T333-T338 PolarHBondContact OG1-O 2.95Å; T333-R339 PolarHBondContact N-O 2.73Å; T333-R339 VanDerWaalsContact N-O 3.16Å; T333-E341 HydrophobicContact CG2-CB 4.09Å
334	L	92.8	Very high	92.5	Very high	36 Å²	36	43.8 Å²	43.8	19%	0.188	21%	0.214	C	C	.	.	S	Bend	trans	-78.7	-1.3	171.6	-63.2	-175.4	0	0	0	114.4	H100 I291 Q293	H100-L334 HydrophobicContact CB-CD1 3.99Å; I291-L334 HydrophobicContact CB-CD1 4.01Å; I291-L334 HydrophobicContact CB-CG 4.46Å; I291-L334 HydrophobicContact CG2-CD1 3.84Å; I291-L334 HydrophobicContact CG2-CG 4.47Å; I291-L334 WeakPolarHBondContact O-CG 3.41Å; I291-L334 PolarHBondContact O-N 3.26Å; Q293-L334 HydrophobicContact CB-CD2 3.94Å; Q293-L334 HydrophobicContact CG-CD2 4.3Å
335	D	92.6	Very high	93.1	Very high	46 Å²	46	41.7 Å²	41.7	25%	0.246	20%	0.202	C	C	.	.	S	Bend	trans	-84.6	123.5	171.2	167.9	31.2	0	0	0	110.3	H301 T333 H337 T338	H301-D335 PolarHBondContact NE2-O 2.95Å; T333-D335 PolarHBondContact O-N 2.85Å; T333-D335 WeakPolarHBondContact OG1-CB 3.47Å; T333-D335 PolarHBondContact OG1-N 2.87Å; T333-D335 PolarHBondContact OG1-O 3.18Å; D335-H337 PolarHBondContact O-N 2.77Å; D335-H337 IonicContact OD1-CD2 2.69Å; D335-H337 PolarHBondContact OD1-CD2 2.81Å; D335-H337 IonicContact OD1-CG 2.72Å; D335-H337 PolarHBondContact OD1-N 3.19Å; D335-T338 CarbonylContact O-C 3.27Å; D335-T338 PolarHBondContact O-N 3.47Å; D335-T338 VanDerWaalsContact OD2-CB 3.23Å; D335-T338 WeakPolarHBondContact OD2-CB 3.32Å; D335-T338 PolarHBondContact OD2-N 3.46Å; D335-T338 PolarHBondContact OD2-OG1 3.48Å
336	P	91.3	Very high	93.6	Very high	75 Å²	75	46.7 Å²	46.7	49%	0.487	22%	0.222	S	C	.	.	S	Bend	trans	-60	-21.9	174.9	-25	35.8	0	0	0	115
337	H	92.3	Very high	93.6	Very high	164 Å²	164	48.4 Å²	48.4	76%	0.759	24%	0.236	S	C	*	.	S	Bend	trans	-88.5	-35	-179.2	-58.1	-79.8	0	0	0	112.3	D335	D335-H337 PolarHBondContact O-N 2.77Å; D335-H337 IonicContact OD1-CD2 2.69Å; D335-H337 PolarHBondContact OD1-CD2 2.81Å; D335-H337 IonicContact OD1-CG 2.72Å; D335-H337 PolarHBondContact OD1-N 3.19Å
338	T	94.1	Very high	93.5	Very high	28 Å²	28	49.1 Å²	49.1	17%	0.172	24%	0.242	C	C	.	.			trans	-94.6	98.1	174.6	-48.3	0	0	0	0	110.5	K290 H301 T333 D335 E341	K290-T338 HydrophobicContact CD-CG2 4.01Å; K290-T338 WeakPolarHBondContact CE-OG1 3.3Å; K290-T338 PolarHBondContact NZ-OG1 3.21Å; H301-T338 PolarHBondContact NE2-O 2.71Å; T333-T338 HydrophobicContact CG2-CG2 3.73Å; T333-T338 WeakPolarHBondContact CG2-O 3.21Å; T333-T338 PolarHBondContact OG1-O 2.95Å; D335-T338 CarbonylContact O-C 3.27Å; D335-T338 PolarHBondContact O-N 3.47Å; D335-T338 VanDerWaalsContact OD2-CB 3.23Å; D335-T338 WeakPolarHBondContact OD2-CB 3.32Å; D335-T338 PolarHBondContact OD2-N 3.46Å; D335-T338 PolarHBondContact OD2-OG1 3.48Å; T338-E341 HydrophobicContact CG2-CB 4.14Å
339	R	94.8	Very high	92.9	Very high	114 Å²	114	49.5 Å²	49.5	43%	0.43	26%	0.261	S	S	.	.			trans	-58.2	-52.8	-178.8	-176.7	167.9	167.7	70.2	0.5	112.6	H301 R302 Y332 T333	H301-R339 PolarHBondContact CD2-O 3.44Å; H301-R339 WeakPolarHBondContact NE2-CA 3.39Å; R302-R339 PolarHBondContact O-NH1 3.33Å; R302-R339 PolarHBondContact O-NH2 3.35Å; Y332-R339 WeakPolarHBondContact CA-O 3.47Å; Y332-R339 HydrophobicContact CD1-CG 4.24Å; Y332-R339 WeakPolarHBondContact CD1-O 3.3Å; Y332-R339 HydrophobicContact CE1-CG 4.35Å; T333-R339 PolarHBondContact N-O 2.73Å; T333-R339 VanDerWaalsContact N-O 3.16Å
340	W	96.9	Very high	91.3	Very high	100 Å²	100	57.2 Å²	57.2	38%	0.379	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	160.9	177.2	68.4	-88.2	0	0	0	109.3	W330 C331 Y332 Y342	W330-W340 HydrophobicContact CB-CE3 4Å; W330-W340 HydrophobicContact CB-CZ3 4.2Å; W330-W340 HydrophobicContact CD2-CE3 4.14Å; W330-W340 HydrophobicContact CE3-CB 3.81Å; W330-W340 HydrophobicContact CE3-CD2 4.28Å; W330-W340 HydrophobicContact CE3-CE3 4.02Å; W330-W340 HydrophobicContact CE3-CG 4.23Å; W330-W340 HydrophobicContact CG-CE3 4.16Å; W330-W340 HydrophobicContact CG-CZ3 4.37Å; W330-W340 HydrophobicContact CZ3-CB 3.91Å; W330-W340 HydrophobicContact CZ3-CG 4.36Å; C331-W340 WeakPolarHBondContact O-CA 3.33Å; C331-W340 WeakPolarHBondContact O-CB 3.29Å; Y332-W340 HydrophobicContact CD1-CB 3.95Å; Y332-W340 HydrophobicContact CE1-CB 4.25Å; W340-Y342 HydrophobicContact CH2-CE1 4.35Å; W340-Y342 HydrophobicContact CH2-CE2 4.12Å; W340-Y342 AromaticContact CH2-CZ 3.83Å; W340-Y342 HydrophobicContact CZ3-CD1 4.23Å; W340-Y342 HydrophobicContact CZ3-CD2 4.34Å; W340-Y342 AromaticContact CZ3-CE1 3.88Å; W340-Y342 HydrophobicContact CZ3-CE1 3.88Å; W340-Y342 AromaticContact CZ3-CE2 4Å; W340-Y342 HydrophobicContact CZ3-CE2 4Å; W340-Y342 HydrophobicContact CZ3-CG 4.44Å; W340-Y342 AromaticContact CZ3-CZ 3.74Å
341	E	97.4	Very high	88.8	Confident	27 Å²	27	63.3 Å²	63.3	13%	0.126	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	155.3	179.1	-169.4	179.1	110.4	0	0	110	T286 E287 S288 K290 W330 C331 T333 T338	T286-E341 WeakPolarHBondContact CB-OE1 3.37Å; T286-E341 HydrophobicContact CG2-CB 3.76Å; T286-E341 HydrophobicContact CG2-CG 4.37Å; T286-E341 PolarHBondContact OG1-OE1 3.09Å; E287-E341 HydrophobicContact CG-CG 4.39Å; S288-E341 WeakPolarHBondContact CB-OE1 3.43Å; S288-E341 PolarHBondContact N-OE1 3.33Å; S288-E341 PolarHBondContact OG-OE1 2.88Å; K290-E341 WeakPolarHBondContact CD-OE2 3.4Å; K290-E341 IonicContact NZ-OE2 2.97Å; K290-E341 PolarHBondContact NZ-OE2 3.03Å; W330-E341 WeakPolarHBondContact CA-O 3.27Å; W330-E341 WeakPolarHBondContact CB-O 3.35Å; C331-E341 PolarHBondContact N-O 2.71Å; C331-E341 VanDerWaalsContact N-O 3.09Å; C331-E341 PolarHBondContact O-N 3.34Å; T333-E341 HydrophobicContact CG2-CB 4.09Å; T338-E341 HydrophobicContact CG2-CB 4.14Å
342	Y	96.4	Very high	86.3	Confident	47 Å²	47	69.6 Å²	69.6	18%	0.184	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	159.1	174	-66.9	-66	0	0	0	112.4	T286 E287 Q326 R328 W330 W340	T286-Y342 CarbonylContact C-O 3.59Å; T286-Y342 WeakPolarHBondContact CA-O 3.34Å; T286-Y342 WeakPolarHBondContact CB-O 3.23Å; E287-Y342 PolarHBondContact N-O 2.92Å; Q326-Y342 HydrophobicContact CB-CE1 4.17Å; R328-Y342 HydrophobicContact CB-CD1 3.82Å; R328-Y342 HydrophobicContact CB-CE1 4.29Å; R328-Y342 HydrophobicContact CB-CG 4.49Å; R328-Y342 WeakPolarHBondContact O-CD1 3.35Å; R328-Y342 WeakPolarHBondContact O-CE1 3.32Å; W330-Y342 HydrophobicContact CB-CD1 3.98Å; W330-Y342 HydrophobicContact CB-CE1 4.47Å; W340-Y342 HydrophobicContact CH2-CE1 4.35Å; W340-Y342 HydrophobicContact CH2-CE2 4.12Å; W340-Y342 AromaticContact CH2-CZ 3.83Å; W340-Y342 HydrophobicContact CZ3-CD1 4.23Å; W340-Y342 HydrophobicContact CZ3-CD2 4.34Å; W340-Y342 AromaticContact CZ3-CE1 3.88Å; W340-Y342 HydrophobicContact CZ3-CE1 3.88Å; W340-Y342 AromaticContact CZ3-CE2 4Å; W340-Y342 HydrophobicContact CZ3-CE2 4Å; W340-Y342 HydrophobicContact CZ3-CG 4.44Å; W340-Y342 AromaticContact CZ3-CZ 3.74Å
343	C	95.8	Very high	83.5	Confident	0 Å²	0	74 Å²	74	0%	0	40%	0.402	C	S	.	.			trans	-109.4	138.3	174.2	-56.9	0	0	0	0	111.2	M283 C320 P329 I345	M283-C343 HydrophobicContact CG-CB 4.29Å; C320-C343 HydrophobicContact CB-CB 3.62Å; C320-C343 WeakPolarHBondContact CB-SG 3.48Å; C320-C343 WeakPolarHBondContact SG-CB 3.3Å; C320-C343 CovalentContact SG-SG 2.03Å; C320-C343 PolarHBondContact SG-SG 3.23Å; P329-C343 PolarHBondContact O-N 3.1Å; C343-I345 VanDerWaalsContact C-N 3.3Å; C343-I345 HydrophobicContact CB-CD1 3.89Å; C343-I345 HydrophobicContact CB-CG1 4.2Å; C343-I345 PolarHBondContact O-N 3.48Å
344	A	93.3	Very high	80.7	Confident	47 Å²	47	80.9 Å²	80.9	39%	0.388	44%	0.439	S	S	.	.			trans	-77.5	78.3	176.6	0	0	0	0	0	110.6	S267 E287	S267-A344 WeakPolarHBondContact CB-O 3.36Å; E287-A344 HydrophobicContact CB-CB 3.91Å
345	I	92.8	Very high	78.4	Confident	14 Å²	14	85.7 Å²	85.7	7%	0.072	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-100.5	140.5	175.9	-64.6	153.3	0	0	0	109.1	M272 Y279 M283 C320 P329 C343	M272-I345 HydrophobicContact CB-CG2 3.96Å; M272-I345 HydrophobicContact CG-CG2 3.96Å; M272-I345 HydrophobicContact SD-CB 4.01Å; M272-I345 HydrophobicContact SD-CG2 4.02Å; Y279-I345 HydrophobicContact CD1-CD1 3.98Å; Y279-I345 HydrophobicContact CD2-CG2 4.19Å; Y279-I345 HydrophobicContact CE1-CD1 3.49Å; Y279-I345 VanDerWaalsContact CE1-CD1 3.49Å; Y279-I345 HydrophobicContact CE1-CG1 4.28Å; Y279-I345 HydrophobicContact CE2-CD1 4.37Å; Y279-I345 HydrophobicContact CE2-CG2 3.7Å; M283-I345 HydrophobicContact CB-CD1 4.44Å; M283-I345 HydrophobicContact CB-CG1 4.1Å; M283-I345 HydrophobicContact CG-CG1 4.07Å; C320-I345 HydrophobicContact CB-CD1 3.99Å; P329-I345 HydrophobicContact CB-CD1 3.72Å; P329-I345 HydrophobicContact CG-CD1 3.89Å; C343-I345 VanDerWaalsContact C-N 3.3Å; C343-I345 HydrophobicContact CB-CD1 3.89Å; C343-I345 HydrophobicContact CB-CG1 4.2Å; C343-I345 PolarHBondContact O-N 3.48Å
346	K	90.1	Very high	75.9	Confident	111 Å²	111	89.3 Å²	89.3	48%	0.483	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-76.1	133.2	179.9	-170.9	168.6	179.8	-180	0	110.3	S267 E268 C271 M272	S267-K346 WeakPolarHBondContact O-CB 3.21Å; S267-K346 PolarHBondContact O-N 3.39Å; E268-K346 HydrophobicContact CB-CD 4.35Å; E268-K346 HydrophobicContact CG-CB 4.29Å; E268-K346 HydrophobicContact CG-CD 3.71Å; E268-K346 VanDerWaalsContact OE1-CD 3.25Å; E268-K346 WeakPolarHBondContact OE1-CD 3.13Å; E268-K346 WeakPolarHBondContact OE1-CE 3.41Å; E268-K346 IonicContact OE1-NZ 2.67Å; E268-K346 PolarHBondContact OE1-NZ 3.47Å; C271-K346 CarbonylContact C-O 3.54Å; C271-K346 VanDerWaalsContact CA-O 3.25Å; C271-K346 WeakPolarHBondContact CA-O 3.48Å; C271-K346 WeakPolarHBondContact CB-O 3.46Å; M272-K346 PolarHBondContact N-O 3.25Å
347	T	86.3	Confident	73.6	Confident	88 Å²	88	92.9 Å²	92.9	54%	0.54	50%	0.504	S	S	.	.	B	Isolated β-bridge	trans	-67.4	144.4	167.6	48.6	0	0	0	0	109.9	M272	M272-T347 HydrophobicContact CE-CG2 3.63Å; M272-T347 HydrophobicContact CG-CG2 4.26Å; M272-T347 WeakPolarHBondContact O-CA 3.24Å
348	C	84.5	Confident	71.7	Confident	37 Å²	37	89.2 Å²	89.2	25%	0.25	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-60.6	144.2	169	-57.4	0	0	0	0	109.5	C271 M272 T273	C271-C348 VanDerWaalsContact C-SG 3.53Å; C271-C348 HydrophobicContact CB-CB 3.94Å; C271-C348 WeakPolarHBondContact CB-SG 3.01Å; C271-C348 WeakPolarHBondContact SG-CA 3.49Å; C271-C348 WeakPolarHBondContact SG-CB 3.36Å; C271-C348 CovalentContact SG-SG 2.04Å; C271-C348 PolarHBondContact SG-SG 2.98Å; M272-C348 PolarHBondContact O-N 2.9Å; T273-C348 HydrophobicContact CG2-CB 4.25Å
349	A	76.6	Confident	69.8	Low	82 Å²	82	91.9 Å²	91.9	68%	0.678	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-81.2	130.9	169.4	0	0	0	0	0	108	N351	A349-N351 VanDerWaalsContact C-N 3.31Å; A349-N351 PolarHBondContact O-N 3.07Å
350	D	61.8	Low	68	Low	161 Å²	161	92.7 Å²	92.7	86%	0.861	52%	0.521	S	S	*	.	S	Bend	trans	-68	88.5	176.4	-75.5	-45.1	0	0	0	110.6
351	N	43.8	Very low	67	Low	134 Å²	134	93.9 Å²	93.9	72%	0.717	53%	0.531	S	S	*	.	S	Bend	trans	-152	121.1	164.9	-88.2	-71	0	0	0	108.8	A349	A349-N351 VanDerWaalsContact C-N 3.31Å; A349-N351 PolarHBondContact O-N 3.07Å
352	T	44.6	Very low	65.9	Low	133 Å²	133	93.3 Å²	93.3	82%	0.816	53%	0.529	S	S	*	.			trans	49.9	63.5	167.3	59.3	0	0	0	0	116
353	V	40.2	Very low	65.2	Low	111 Å²	111	95.3 Å²	95.3	67%	0.673	55%	0.546	S	S	*	.			trans	-74.5	123.8	147.2	178.9	0	0	0	0	106.6
354	N	37.4	Very low	64.3	Low	144 Å²	144	103.1 Å²	103.1	77%	0.77	58%	0.583	S	S	*	*			trans	-71.2	137.5	172.1	-87	-10.9	0	0	0	109.7	T356	N354-T356 PolarHBondContact O-N 3.01Å
355	D	42.9	Very low	63.5	Low	136 Å²	136	102.2 Å²	102.2	73%	0.727	57%	0.573	S	S	*	*	S	Bend	trans	-83	94.5	-160.7	-169.5	17.4	0	0	0	113.3
356	T	40.5	Very low	62.8	Low	123 Å²	123	102.4 Å²	102.4	76%	0.755	57%	0.574	S	S	*	*	S	Bend	trans	-142.1	-16.5	167.2	57.6	0	0	0	0	115.7	N354	N354-T356 PolarHBondContact O-N 3.01Å
357	D	44.1	Very low	62	Low	150 Å²	150	100.4 Å²	100.4	80%	0.802	57%	0.566	S	S	*	*	S	Bend	trans	-130.2	16.1	-171.2	-83.1	-63.6	0	0	0	114
358	V	52.3	Low	61.4	Low	87 Å²	87	98.8 Å²	98.8	53%	0.527	57%	0.567	S	S	.	*	S	Bend	trans	-85.7	125.3	169	-178.7	0	0	0	0	108.5	M360	V358-M360 PolarHBondContact O-N 3.02Å
359	P	53.5	Low	60.9	Low	84 Å²	84	101.3 Å²	101.3	55%	0.545	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-59.8	124.6	173.4	-22.2	33.2	0	0	0	110.1	E361	P359-E361 PolarHBondContact O-N 3.43Å; P359-E361 VanDerWaalsContact O-N 3.14Å
360	M	57.9	Low	61.1	Low	131 Å²	131	97.5 Å²	97.5	65%	0.645	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-51.6	121.5	-178.9	-82.8	179.8	57.5	0	0	111.1	V358 T362	V358-M360 PolarHBondContact O-N 3.02Å; M360-T362 PolarHBondContact O-N 2.04Å; M360-T362 PolarHBondContact O-OG1 2.97Å
361	E	74.2	Confident	62.1	Low	125 Å²	125	92.9 Å²	92.9	58%	0.584	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-72	120.2	179.3	-63.9	-145	142.6	0	0	110.2	P359 G372 R374	P359-E361 PolarHBondContact O-N 3.43Å; P359-E361 VanDerWaalsContact O-N 3.14Å; E361-G372 WeakPolarHBondContact CA-O 3.1Å; E361-R374 HydrophobicContact CB-CG 3.97Å; E361-R374 VanDerWaalsContact CD-NE 3.34Å; E361-R374 HydrophobicContact CG-CG 4.21Å; E361-R374 IonicContact OE1-CZ 2.69Å; E361-R374 IonicContact OE1-NE 3.65Å; E361-R374 PolarHBondContact OE1-NE 2.78Å; E361-R374 IonicContact OE1-NH2 3.61Å; E361-R374 PolarHBondContact OE1-NH2 2.94Å; E361-R374 IonicContact OE2-NE 3.21Å
362	T	75.8	Confident	63.8	Low	14 Å²	14	86.7 Å²	86.7	9%	0.086	49%	0.485	C	S	.	.	B	Isolated β-bridge	trans	-127	125.2	-165.8	38.2	0	0	0	0	110.4	M360 C365 G372 Y373 R374 C443	M360-T362 PolarHBondContact O-N 2.04Å; M360-T362 PolarHBondContact O-OG1 2.97Å; T362-C365 VanDerWaalsContact CB-O 3.23Å; T362-C365 WeakPolarHBondContact CB-O 2.99Å; T362-C365 PolarHBondContact OG1-O 2.86Å; T362-G372 PolarHBondContact N-O 3.09Å; T362-G372 PolarHBondContact OG1-O 3.19Å; T362-Y373 CarbonylContact O-C 3.14Å; T362-Y373 WeakPolarHBondContact O-CA 3.49Å; T362-Y373 WeakPolarHBondContact O-CD2 3.13Å; T362-R374 PolarHBondContact O-N 2.87Å; T362-C443 VanDerWaalsContact CG2-SG 3.59Å
363	T	80.5	Confident	65.8	Low	90 Å²	90	80.8 Å²	80.8	55%	0.552	45%	0.448	S	S	*	.	S	Bend	trans	-101.7	-35.2	-171.4	46.3	0	0	0	0	113.4	Y373 R374 G375	T363-Y373 WeakPolarHBondContact O-CE2 3.37Å; T363-R374 HydrophobicContact CG2-CB 4.4Å; T363-G375 WeakPolarHBondContact O-CA 3.24Å
364	E	77	Confident	68.1	Low	163 Å²	163	77.4 Å²	77.4	76%	0.762	42%	0.423	S	S	*	.	S	Bend	trans	-96.5	-23.7	-175.8	-61.2	-176.3	172.6	0	0	112.9	P441	E364-P441 WeakPolarHBondContact O-CD 3.42Å; E364-P441 WeakPolarHBondContact O-CG 3.49Å
365	C	77.6	Confident	70.6	Confident	29 Å²	29	70.7 Å²	70.7	20%	0.196	39%	0.388	C	S	.	.	S	Bend	trans	-143.1	164.6	-171.8	56.7	0	0	0	0	111.6	T362 Y373 P441 C443	T362-C365 VanDerWaalsContact CB-O 3.23Å; T362-C365 WeakPolarHBondContact CB-O 2.99Å; T362-C365 PolarHBondContact OG1-O 2.86Å; C365-Y373 VanDerWaalsContact O-CD2 3.3Å; C365-Y373 WeakPolarHBondContact O-CD2 3.18Å; C365-P441 CarbonylContact C-O 3.56Å; C365-P441 WeakPolarHBondContact CA-O 3.43Å; C365-P441 HydrophobicContact CB-CG 4.17Å; C365-P441 WeakPolarHBondContact CB-O 3.41Å; C365-C443 HydrophobicContact CB-CB 4.02Å; C365-C443 WeakPolarHBondContact CB-SG 3.3Å; C365-C443 WeakPolarHBondContact SG-CA 3.23Å; C365-C443 WeakPolarHBondContact SG-CB 3.39Å; C365-C443 CovalentContact SG-SG 2.04Å; C365-C443 PolarHBondContact SG-SG 3.28Å
366	I	77.6	Confident	72.9	Confident	17 Å²	17	68.9 Å²	68.9	9%	0.087	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-95.3	143.2	171	62.8	176.9	0	0	0	111	Y373 P423 I440 P441 N442 C443	I366-Y373 HydrophobicContact CG2-CD2 4.19Å; I366-Y373 HydrophobicContact CG2-CG 4.28Å; I366-P423 HydrophobicContact CG2-CG 3.68Å; I366-I440 HydrophobicContact CG2-CB 4.04Å; I366-I440 HydrophobicContact CG2-CD1 4.42Å; I366-I440 HydrophobicContact CG2-CG2 3.65Å; I366-P441 PolarHBondContact N-O 2.91Å; I366-N442 HydrophobicContact CG1-CB 4.14Å; I366-N442 CarbonylContact O-C 3.48Å; I366-N442 VanDerWaalsContact O-CA 3.26Å; I366-N442 WeakPolarHBondContact O-CA 3.36Å; I366-N442 VanDerWaalsContact O-CG 3.29Å; I366-N442 PolarHBondContact O-OD1 2.03Å; I366-C443 VanDerWaalsContact C-SG 3.57Å; I366-C443 PolarHBondContact O-N 2.77Å; I366-C443 PolarHBondContact O-SG 3.02Å
367	Q	73.3	Confident	75.2	Confident	69 Å²	69	64.1 Å²	64.1	32%	0.322	36%	0.355	S	S	.	.			trans	-118.4	142.9	165.2	-159.6	173.6	34.4	0	0	110.4	Q369 G370 C443 D444	Q367-Q369 PolarHBondContact O-N 2.97Å; Q367-G370 WeakPolarHBondContact O-CA 3.37Å; Q367-G370 PolarHBondContact O-N 2.83Å; Q367-C443 HydrophobicContact CB-CB 4.33Å; Q367-D444 PolarHBondContact NE2-OD1 3.33Å
368	G	73.5	Confident	77.5	Confident	54 Å²	54	60 Å²	60	56%	0.557	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	-122.1	-171.7	0	0	0	0	0	111.8
369	Q	74.1	Confident	79	Confident	91 Å²	91	58 Å²	58	43%	0.425	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	0.8	173.8	-68	177.6	-98	0	0	113.6	Q367 N416 G419 S420	Q367-Q369 PolarHBondContact O-N 2.97Å; Q369-N416 PolarHBondContact O-ND2 3.29Å; Q369-G419 PolarHBondContact NE2-O 3.21Å; Q369-S420 PolarHBondContact NE2-O 2.9Å
370	G	80.8	Confident	80.3	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.01	30%	0.297	C	S	.	.	S	Bend	trans	79.5	18.9	179.2	0	0	0	0	0	115.7	Q367 G372 Y373	Q367-G370 WeakPolarHBondContact O-CA 3.37Å; Q367-G370 PolarHBondContact O-N 2.83Å; G370-G372 PolarHBondContact O-N 3.29Å; G370-Y373 WeakPolarHBondContact O-CB 3.44Å; G370-Y373 PolarHBondContact O-N 3.37Å
371	E	81.8	Confident	80.2	Confident	64 Å²	64	52.1 Å²	52.1	30%	0.299	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-30.5	171.2	-67.1	-163.5	-117.1	0	0	112.8	Y373 R374 K407 N416	E371-Y373 VanDerWaalsContact C-N 3.26Å; E371-Y373 PolarHBondContact O-N 3.3Å; E371-R374 PolarHBondContact O-NH1 2.78Å; E371-K407 IonicContact OE2-NZ 3.38Å; E371-K407 PolarHBondContact OE2-NZ 2.79Å; E371-N416 HydrophobicContact CG-CB 4.22Å
372	G	80.1	Confident	79.4	Confident	5 Å²	5	49.5 Å²	49.5	5%	0.052	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	1.5	170.6	0	0	0	0	0	114.7	E361 T362 G370 R374	E361-G372 WeakPolarHBondContact CA-O 3.1Å; T362-G372 PolarHBondContact N-O 3.09Å; T362-G372 PolarHBondContact OG1-O 3.19Å; G370-G372 PolarHBondContact O-N 3.29Å; G372-R374 PolarHBondContact O-N 3.12Å
373	Y	86.7	Confident	79.5	Confident	9 Å²	9	51 Å²	51	4%	0.035	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-71.2	129.7	-178.8	-175.5	-111	0	0	0	111.6	T362 T363 C365 I366 G370 E371 G375 A377 C414 R415 P423 I440	T362-Y373 CarbonylContact O-C 3.14Å; T362-Y373 WeakPolarHBondContact O-CA 3.49Å; T362-Y373 WeakPolarHBondContact O-CD2 3.13Å; T363-Y373 WeakPolarHBondContact O-CE2 3.37Å; C365-Y373 VanDerWaalsContact O-CD2 3.3Å; C365-Y373 WeakPolarHBondContact O-CD2 3.18Å; I366-Y373 HydrophobicContact CG2-CD2 4.19Å; I366-Y373 HydrophobicContact CG2-CG 4.28Å; G370-Y373 WeakPolarHBondContact O-CB 3.44Å; G370-Y373 PolarHBondContact O-N 3.37Å; E371-Y373 VanDerWaalsContact C-N 3.26Å; E371-Y373 PolarHBondContact O-N 3.3Å; Y373-G375 WeakPolarHBondContact OH-CA 3.26Å; Y373-A377 HydrophobicContact CE1-CB 4.4Å; Y373-A377 WeakPolarHBondContact OH-CB 3.43Å; Y373-C414 WeakPolarHBondContact CD1-O 3.29Å; Y373-C414 HydrophobicContact CE1-CB 4.5Å; Y373-R415 WeakPolarHBondContact O-CD 3.47Å; Y373-P423 HydrophobicContact CD1-CG 4.49Å; Y373-I440 HydrophobicContact CD1-CD1 3.97Å; Y373-I440 HydrophobicContact CD2-CG2 4.14Å; Y373-I440 HydrophobicContact CE1-CD1 3.49Å; Y373-I440 VanDerWaalsContact CE1-CD1 3.49Å; Y373-I440 HydrophobicContact CE1-CG1 4.33Å; Y373-I440 HydrophobicContact CE2-CD1 4.36Å; Y373-I440 HydrophobicContact CE2-CG2 3.54Å
374	R	89.8	Confident	79.5	Confident	39 Å²	39	48.4 Å²	48.4	15%	0.147	27%	0.272	C	S	.	.			trans	-126	1.8	-179	-60.5	-60.4	174.9	-96.5	-10.2	113.8	E361 T362 T363 E371 G372 D408 R415	E361-R374 HydrophobicContact CB-CG 3.97Å; E361-R374 VanDerWaalsContact CD-NE 3.34Å; E361-R374 HydrophobicContact CG-CG 4.21Å; E361-R374 IonicContact OE1-CZ 2.69Å; E361-R374 IonicContact OE1-NE 3.65Å; E361-R374 PolarHBondContact OE1-NE 2.78Å; E361-R374 IonicContact OE1-NH2 3.61Å; E361-R374 PolarHBondContact OE1-NH2 2.94Å; E361-R374 IonicContact OE2-NE 3.21Å; T362-R374 PolarHBondContact O-N 2.87Å; T363-R374 HydrophobicContact CG2-CB 4.4Å; E371-R374 PolarHBondContact O-NH1 2.78Å; G372-R374 PolarHBondContact O-N 3.12Å; R374-D408 VanDerWaalsContact CD-CB 3.43Å; R374-D408 WeakPolarHBondContact CD-OD2 3.24Å; R374-R415 VanDerWaalsContact C-NH2 3.29Å; R374-R415 PolarHBondContact O-NH2 3.35Å
375	G	88.9	Confident	80.2	Confident	3 Å²	3	43.6 Å²	43.6	3%	0.031	26%	0.255	C	S	.	.			trans	-66.2	174.6	-177.4	0	0	0	0	0	115.1	T363 Y373 R415	T363-G375 WeakPolarHBondContact O-CA 3.24Å; Y373-G375 WeakPolarHBondContact OH-CA 3.26Å; G375-R415 PolarHBondContact O-NH1 2.79Å; G375-R415 PolarHBondContact O-NH2 3.33Å
376	T	92.2	Very high	81.1	Confident	99 Å²	99	42.3 Å²	42.3	61%	0.607	25%	0.247	S	C	*	.			trans	-99.2	11.1	-170.6	51.9	0	0	0	0	114.5	N378 Y413	T376-N378 PolarHBondContact O-N 3.15Å; T376-Y413 VanDerWaalsContact C-CD1 3.49Å; T376-Y413 VanDerWaalsContact CA-CD1 3.44Å; T376-Y413 HydrophobicContact CG2-CE1 3.93Å; T376-Y413 VanDerWaalsContact O-CD1 3.27Å; T376-Y413 WeakPolarHBondContact O-CD1 3.24Å; T376-Y413 WeakPolarHBondContact O-CE1 3.23Å
377	A	88.8	Confident	82	Confident	23 Å²	23	41.8 Å²	41.8	19%	0.19	24%	0.244	C	C	.	.			trans	-57.3	125.9	171.6	0	0	0	0	0	110.2	Y373 Y413 C414 I440	Y373-A377 HydrophobicContact CE1-CB 4.4Å; Y373-A377 WeakPolarHBondContact OH-CB 3.43Å; A377-Y413 CarbonylContact O-C 3.58Å; A377-Y413 WeakPolarHBondContact O-CA 3.39Å; A377-C414 PolarHBondContact O-N 2.99Å; A377-C414 PolarHBondContact O-SG 2.87Å; A377-I440 HydrophobicContact CB-CD1 4.12Å; A377-I440 HydrophobicContact CB-CG1 3.92Å
378	N	91.8	Very high	83.1	Confident	62 Å²	62	42.7 Å²	42.7	33%	0.332	24%	0.244	S	C	.	.			trans	-139.8	23.6	-175.1	69.9	-13.7	0	0	0	114	T376 C386 N412 Y413	T376-N378 PolarHBondContact O-N 3.15Å; N378-C386 WeakPolarHBondContact O-CB 3.26Å; N378-C386 PolarHBondContact O-N 3.41Å; N378-C386 PolarHBondContact O-SG 2.88Å; N378-N412 WeakPolarHBondContact CB-O 3.27Å; N378-N412 WeakPolarHBondContact CB-OD1 3.14Å; N378-N412 PolarHBondContact ND2-OD1 3.02Å; N378-N412 VanDerWaalsContact ND2-OD1 3.1Å; N378-Y413 HydrophobicContact CB-CD1 4.03Å
379	T	84.2	Confident	84	Confident	47 Å²	47	40.1 Å²	40.1	29%	0.288	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-125.1	156	168.5	51.8	0	0	0	0	108.7	I384 C437 Q439	T379-I384 WeakPolarHBondContact CA-O 3.16Å; T379-C437 PolarHBondContact O-SG 3.39Å; T379-Q439 PolarHBondContact O-NE2 3Å
380	I	79.4	Confident	84.9	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.021	22%	0.217	C	C	.	.			trans	-89.6	175.7	164.7	58.8	153.9	0	0	0	109.9	N382 G383 I384 C425 T427 G435	I380-N382 VanDerWaalsContact CD1-OD1 3.29Å; I380-N382 WeakPolarHBondContact CD1-OD1 3.06Å; I380-N382 VanDerWaalsContact CG1-OD1 3.27Å; I380-N382 WeakPolarHBondContact CG1-OD1 3.09Å; I380-N382 PolarHBondContact O-N 2.78Å; I380-G383 PolarHBondContact O-N 2.73Å; I380-I384 HydrophobicContact CD1-CB 4.15Å; I380-I384 HydrophobicContact CG1-CB 3.89Å; I380-I384 WeakPolarHBondContact CG1-O 3.35Å; I380-I384 PolarHBondContact N-O 3.1Å; I380-C425 VanDerWaalsContact CG2-SG 3.53Å; I380-T427 HydrophobicContact CD1-CG2 3.96Å; I380-T427 HydrophobicContact CG1-CG2 4.45Å; I380-T427 HydrophobicContact CG2-CG2 4.43Å; I380-G435 VanDerWaalsContact CG2-C 3.5Å; I380-G435 WeakPolarHBondContact CG2-O 3.49Å
381	W	55.6	Low	85.6	Confident	86 Å²	86	41.1 Å²	41.1	33%	0.326	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-24.1	-167.9	62.8	-112.5	0	0	0	117.4	G383 D491 A492 S493	W381-G383 VanDerWaalsContact C-N 3.33Å; W381-D491 HydrophobicContact CZ2-CB 4.4Å; W381-D491 VanDerWaalsContact CZ2-OD1 3.24Å; W381-D491 WeakPolarHBondContact CZ2-OD1 3.27Å; W381-D491 PolarHBondContact NE1-OD2 2.79Å; W381-A492 HydrophobicContact CH2-CB 4.23Å; W381-A492 HydrophobicContact CZ3-CB 4.18Å; W381-S493 WeakPolarHBondContact CB-OG 3.39Å; W381-S493 VanDerWaalsContact CD2-CB 3.43Å
382	N	59.1	Low	86.2	Confident	70 Å²	70	41.6 Å²	41.6	37%	0.374	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	6.8	176.4	55.8	17.2	0	0	0	113.2	I380 I384	I380-N382 VanDerWaalsContact CD1-OD1 3.29Å; I380-N382 WeakPolarHBondContact CD1-OD1 3.06Å; I380-N382 VanDerWaalsContact CG1-OD1 3.27Å; I380-N382 WeakPolarHBondContact CG1-OD1 3.09Å; I380-N382 PolarHBondContact O-N 2.78Å; N382-I384 VanDerWaalsContact C-N 3.31Å; N382-I384 WeakPolarHBondContact ND2-CD1 3.33Å; N382-I384 PolarHBondContact O-N 2.76Å; N382-I384 VanDerWaalsContact OD1-CB 3.3Å; N382-I384 WeakPolarHBondContact OD1-CB 3.35Å; N382-I384 WeakPolarHBondContact OD1-CG1 3.4Å; N382-I384 PolarHBondContact OD1-N 2.83Å; N382-I384 VanDerWaalsContact OD1-N 3.1Å
383	G	76.2	Confident	86.8	Confident	46 Å²	46	49.9 Å²	49.9	47%	0.474	26%	0.261	S	S	.	.	S	Bend	trans	81.7	-0	-177.2	0	0	0	0	0	114.9	I380 W381 P385	I380-G383 PolarHBondContact O-N 2.73Å; W381-G383 VanDerWaalsContact C-N 3.33Å; G383-P385 WeakPolarHBondContact O-CD 3.48Å
384	I	81.3	Confident	87	Confident	36 Å²	36	51 Å²	51	19%	0.185	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-63	129.2	173.8	-66.2	174.3	0	0	0	109	T379 I380 N382 D429 I432	T379-I384 WeakPolarHBondContact CA-O 3.16Å; I380-I384 HydrophobicContact CD1-CB 4.15Å; I380-I384 HydrophobicContact CG1-CB 3.89Å; I380-I384 WeakPolarHBondContact CG1-O 3.35Å; I380-I384 PolarHBondContact N-O 3.1Å; N382-I384 VanDerWaalsContact C-N 3.31Å; N382-I384 WeakPolarHBondContact ND2-CD1 3.33Å; N382-I384 PolarHBondContact O-N 2.76Å; N382-I384 VanDerWaalsContact OD1-CB 3.3Å; N382-I384 WeakPolarHBondContact OD1-CB 3.35Å; N382-I384 WeakPolarHBondContact OD1-CG1 3.4Å; N382-I384 PolarHBondContact OD1-N 2.83Å; N382-I384 VanDerWaalsContact OD1-N 3.1Å; I384-D429 HydrophobicContact CD1-CB 4.46Å; I384-D429 HydrophobicContact CG2-CB 4.25Å; I384-I432 HydrophobicContact CD1-CD1 3.74Å
385	P	92.6	Very high	87.1	Confident	62 Å²	62	49.8 Å²	49.8	40%	0.403	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-62.9	146.6	177	-22.9	33.7	0	0	0	113.1	G383 T428	G383-P385 WeakPolarHBondContact O-CD 3.48Å; P385-T428 HydrophobicContact CB-CG2 4.02Å; P385-T428 PolarHBondContact O-N 3.13Å; P385-T428 PolarHBondContact O-OG1 3.12Å
386	C	95.7	Very high	87.2	Confident	2 Å²	2	57 Å²	57	1%	0.014	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-69.8	140.8	165.8	-66.1	0	0	0	0	110.8	N378 N412 C425 F426	N378-C386 WeakPolarHBondContact O-CB 3.26Å; N378-C386 PolarHBondContact O-N 3.41Å; N378-C386 PolarHBondContact O-SG 2.88Å; C386-N412 HydrophobicContact CB-CB 3.86Å; C386-N412 WeakPolarHBondContact CB-O 3.34Å; C386-N412 WeakPolarHBondContact O-CB 3.19Å; C386-N412 PolarHBondContact O-ND2 3.46Å; C386-C425 VanDerWaalsContact CA-SG 3.51Å; C386-C425 HydrophobicContact CB-CB 3.55Å; C386-C425 WeakPolarHBondContact CB-SG 3.49Å; C386-C425 WeakPolarHBondContact SG-CB 3.14Å; C386-C425 CovalentContact SG-SG 2.02Å; C386-C425 PolarHBondContact SG-SG 2.7Å; C386-F426 CarbonylContact C-O 3.5Å; C386-F426 WeakPolarHBondContact CA-O 3.17Å
387	Q	95.9	Very high	87.1	Confident	5 Å²	5	52.7 Å²	52.7	2%	0.023	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-68	146	160.9	171.7	-177.1	-38.4	0	0	109.1	S391 Y393 P394 H395 H397 N412 F426	Q387-S391 PolarHBondContact NE2-O 3.33Å; Q387-Y393 VanDerWaalsContact CD-O 3.26Å; Q387-Y393 VanDerWaalsContact OE1-C 3.32Å; Q387-Y393 PolarHBondContact OE1-O 3.25Å; Q387-P394 VanDerWaalsContact OE1-CD 3.25Å; Q387-H395 PolarHBondContact NE2-O 2.85Å; Q387-H397 PolarHBondContact NE2-NE2 3.39Å; Q387-N412 WeakPolarHBondContact O-CB 3.44Å; Q387-F426 HydrophobicContact CB-CB 4.03Å; Q387-F426 PolarHBondContact N-O 2.84Å
388	R	96	Very high	87	Confident	88 Å²	88	57.6 Å²	57.6	33%	0.332	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-67.5	142.9	173.1	-59.9	176.2	62.3	85.9	8.4	111.4	D390 S391 E411 N412	R388-D390 WeakPolarHBondContact CB-OD1 3.08Å; R388-D390 WeakPolarHBondContact CD-OD1 3.5Å; R388-D390 IonicContact CZ-OD1 2.71Å; R388-D390 IonicContact CZ-OD2 3.89Å; R388-D390 IonicContact NE-OD1 3.16Å; R388-D390 PolarHBondContact NE-OD1 3.4Å; R388-D390 IonicContact NE-OD2 2.61Å; R388-D390 PolarHBondContact NE-OD2 3.2Å; R388-D390 VanDerWaalsContact NE-OD2 3.1Å; R388-D390 IonicContact NH2-OD1 3.58Å; R388-D390 IonicContact NH2-OD2 3.64Å; R388-D390 PolarHBondContact NH2-OD2 3.19Å; R388-D390 PolarHBondContact O-N 3.46Å; R388-S391 VanDerWaalsContact O-CB 3.31Å; R388-S391 WeakPolarHBondContact O-CB 3.42Å; R388-S391 PolarHBondContact O-N 2.64Å; R388-E411 VanDerWaalsContact CA-O 3.24Å; R388-E411 WeakPolarHBondContact CA-O 3.41Å; R388-E411 WeakPolarHBondContact CB-O 3.44Å; R388-E411 IonicContact CZ-OE1 3.2Å; R388-E411 IonicContact CZ-OE2 3.8Å; R388-E411 IonicContact NH1-OE1 3.76Å; R388-E411 PolarHBondContact NH1-OE1 2.97Å; R388-E411 IonicContact NH1-OE2 2.76Å; R388-E411 PolarHBondContact NH1-OE2 2.97Å; R388-E411 IonicContact NH2-OE1 2.77Å; R388-E411 PolarHBondContact NH2-OE1 3.06Å; R388-E411 IonicContact NH2-OE2 2.72Å; R388-N412 HydrophobicContact CB-CB 4.45Å; R388-N412 HydrophobicContact CG-CB 4.11Å
389	W	93.8	Very high	86.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-16.9	178.9	-56.3	97.8	0	0	0	114	H397 P401 L409 E411 Y413 R415 P417 W424 C425 F426	W389-H397 PolarHBondContact O-CE1 3.38Å; W389-P401 HydrophobicContact CB-CG 4.49Å; W389-L409 HydrophobicContact CB-CB 3.83Å; W389-L409 HydrophobicContact CB-CD1 4.46Å; W389-L409 WeakPolarHBondContact CB-O 3.47Å; W389-L409 HydrophobicContact CD2-CB 4.22Å; W389-L409 HydrophobicContact CD2-CD1 4.24Å; W389-L409 HydrophobicContact CD2-CD2 3.91Å; W389-L409 HydrophobicContact CD2-CG 4.35Å; W389-L409 HydrophobicContact CE3-CD1 4.04Å; W389-L409 HydrophobicContact CE3-CD2 4.15Å; W389-L409 HydrophobicContact CG-CB 3.75Å; W389-L409 HydrophobicContact CG-CD1 4.44Å; W389-L409 HydrophobicContact CG-CD2 4.33Å; W389-L409 HydrophobicContact CG-CG 4.39Å; W389-L409 HydrophobicContact CH2-CD2 4.44Å; W389-L409 HydrophobicContact CZ2-CD2 4.23Å; W389-L409 HydrophobicContact CZ3-CD2 4.4Å; W389-E411 PolarHBondContact N-O 2.76Å; W389-Y413 PolarHBondContact NE1-O 3.38Å; W389-R415 HydrophobicContact CZ2-CB 3.95Å; W389-P417 HydrophobicContact CH2-CG 4.36Å; W389-P417 HydrophobicContact CZ3-CG 4.31Å; W389-W424 HydrophobicContact CH2-CD2 4.41Å; W389-W424 HydrophobicContact CH2-CE3 4.02Å; W389-W424 HydrophobicContact CH2-CH2 4.4Å; W389-W424 HydrophobicContact CH2-CZ3 4.01Å; W389-W424 WeakPolarHBondContact CZ2-O 3.02Å; W389-W424 HydrophobicContact CZ3-CE3 4.48Å; W389-W424 HydrophobicContact CZ3-CH2 4.18Å; W389-W424 HydrophobicContact CZ3-CZ3 4Å; W389-C425 HydrophobicContact CZ2-CB 4.1Å; W389-F426 AromaticContact CE3-CD2 3.98Å; W389-F426 HydrophobicContact CE3-CD2 3.98Å; W389-F426 HydrophobicContact CE3-CE2 4.1Å; W389-F426 AromaticContact CZ3-CD2 3.75Å; W389-F426 HydrophobicContact CZ3-CD2 3.75Å; W389-F426 AromaticContact CZ3-CE2 3.71Å; W389-F426 HydrophobicContact CZ3-CE2 3.71Å
390	D	93.3	Very high	86.9	Confident	79 Å²	79	55 Å²	55	42%	0.422	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-13.4	169.8	56.7	24.3	0	0	0	113.2	R388	R388-D390 WeakPolarHBondContact CB-OD1 3.08Å; R388-D390 WeakPolarHBondContact CD-OD1 3.5Å; R388-D390 IonicContact CZ-OD1 2.71Å; R388-D390 IonicContact CZ-OD2 3.89Å; R388-D390 IonicContact NE-OD1 3.16Å; R388-D390 PolarHBondContact NE-OD1 3.4Å; R388-D390 IonicContact NE-OD2 2.61Å; R388-D390 PolarHBondContact NE-OD2 3.2Å; R388-D390 VanDerWaalsContact NE-OD2 3.1Å; R388-D390 IonicContact NH2-OD1 3.58Å; R388-D390 IonicContact NH2-OD2 3.64Å; R388-D390 PolarHBondContact NH2-OD2 3.19Å; R388-D390 PolarHBondContact O-N 3.46Å
391	S	94.9	Very high	87.3	Confident	34 Å²	34	56.6 Å²	56.6	24%	0.238	29%	0.288	C	S	.	.			trans	-80.5	148.2	176.2	-174.3	0	0	0	0	111.3	Q387 R388 Y393 H397	Q387-S391 PolarHBondContact NE2-O 3.33Å; R388-S391 VanDerWaalsContact O-CB 3.31Å; R388-S391 WeakPolarHBondContact O-CB 3.42Å; R388-S391 PolarHBondContact O-N 2.64Å; S391-Y393 PolarHBondContact OG-N 3.38Å; S391-Y393 VanDerWaalsContact OG-N 3.11Å; S391-Y393 PolarHBondContact OG-O 2.86Å; S391-H397 PolarHBondContact O-NE2 3.05Å
392	Q	94.4	Very high	88.6	Confident	75 Å²	75	58.2 Å²	58.2	35%	0.35	30%	0.299	S	S	.	.			trans	-114.3	17.2	170.9	-64.7	-65.5	-61.5	0	0	111.9	H395 K396 H397	Q392-H395 CarbonylContact C-O 3.11Å; Q392-H395 CarbonylContact O-C 3.54Å; Q392-K396 HydrophobicContact CB-CG 4.42Å; Q392-K396 PolarHBondContact O-N 3.2Å; Q392-H397 PolarHBondContact NE2-O 3.34Å; Q392-H397 PolarHBondContact OE1-O 3.2Å
393	Y	91.8	Very high	89.7	Confident	178 Å²	178	58 Å²	58	70%	0.698	30%	0.298	S	S	*	.	S	Bend	trans	-141.3	137.7	-178.8	-176.2	-90.3	0	0	0	111.1	Q387 S391 H395	Q387-Y393 VanDerWaalsContact CD-O 3.26Å; Q387-Y393 VanDerWaalsContact OE1-C 3.32Å; Q387-Y393 PolarHBondContact OE1-O 3.25Å; S391-Y393 PolarHBondContact OG-N 3.38Å; S391-Y393 VanDerWaalsContact OG-N 3.11Å; S391-Y393 PolarHBondContact OG-O 2.86Å; Y393-H395 VanDerWaalsContact C-N 3.35Å
394	P	90.8	Very high	90	Very high	33 Å²	33	56 Å²	56	21%	0.214	28%	0.276	C	S	.	.	S	Bend	cis	-69.5	-22.5	-2.7	27.8	-35.1	0	0	0	114.5	Q387 P430	Q387-P394 VanDerWaalsContact OE1-CD 3.25Å; P394-P430 HydrophobicContact CB-CB 4.14Å; P394-P430 HydrophobicContact CB-CG 3.94Å; P394-P430 HydrophobicContact CG-CG 4.41Å
395	H	92.7	Very high	89.9	Confident	14 Å²	14	62.7 Å²	62.7	7%	0.065	30%	0.303	C	S	.	.	S	Bend	trans	-101.4	115.1	-175.2	-61.6	-61.1	0	0	0	112.1	Q387 Q392 Y393 H397 F426 T427 D429 P430 I432 R433	Q387-H395 PolarHBondContact NE2-O 2.85Å; Q392-H395 CarbonylContact C-O 3.11Å; Q392-H395 CarbonylContact O-C 3.54Å; Y393-H395 VanDerWaalsContact C-N 3.35Å; H395-H397 PolarHBondContact O-CD2 3.44Å; H395-F426 HydrophobicContact CB-CB 4.48Å; H395-F426 HydrophobicContact CB-CD1 4Å; H395-T427 PolarHBondContact CD2-O 3.21Å; H395-D429 PolarHBondContact NE2-O 3.08Å; H395-P430 PolarHBondContact CE1-O 2.86Å; H395-I432 PolarHBondContact NE2-O 3.16Å; H395-R433 HydrophobicContact CB-CG 4.4Å; H395-R433 VanDerWaalsContact CE1-CA 3.47Å; H395-R433 WeakPolarHBondContact CE1-CA 3.32Å
396	K	91.8	Very high	89.1	Confident	155 Å²	155	62 Å²	62	67%	0.674	30%	0.3	S	S	*	.			trans	-69.4	134.4	168.2	-161.3	-175.8	-178.9	-177.6	0	110.6	Q392 R433	Q392-K396 HydrophobicContact CB-CG 4.42Å; Q392-K396 PolarHBondContact O-N 3.2Å; K396-R433 PolarHBondContact O-NH1 2.96Å; K396-R433 PolarHBondContact O-NH2 3.04Å
397	H	89	Confident	88.5	Confident	7 Å²	7	62.4 Å²	62.4	3%	0.032	30%	0.301	C	S	.	.			trans	-159.8	150.2	179.9	59.3	75.9	0	0	0	113.7	Q387 W389 S391 Q392 H395 M399 F426	Q387-H397 PolarHBondContact NE2-NE2 3.39Å; W389-H397 PolarHBondContact O-CE1 3.38Å; S391-H397 PolarHBondContact O-NE2 3.05Å; Q392-H397 PolarHBondContact NE2-O 3.34Å; Q392-H397 PolarHBondContact OE1-O 3.2Å; H395-H397 PolarHBondContact O-CD2 3.44Å; H397-M399 PolarHBondContact CE1-O 2.72Å; H397-M399 PolarHBondContact ND1-O 2.94Å; H397-M399 VanDerWaalsContact ND1-O 3.1Å; H397-F426 HydrophobicContact CB-CD2 4.47Å; H397-F426 HydrophobicContact CB-CE1 3.8Å; H397-F426 HydrophobicContact CB-CE2 3.75Å; H397-F426 HydrophobicContact CB-CZ 3.38Å; H397-F426 AromaticContact CD2-CD1 3.8Å; H397-F426 AromaticContact CD2-CD2 3.24Å; H397-F426 WeakPolarHBondContact CD2-CD2 3.35Å; H397-F426 AromaticContact CD2-CE1 3.94Å; H397-F426 AromaticContact CD2-CE2 3.38Å; H397-F426 WeakPolarHBondContact CD2-CE2 3.08Å; H397-F426 AromaticContact CD2-CG 3.47Å; H397-F426 VanDerWaalsContact CD2-CG 3.47Å; H397-F426 WeakPolarHBondContact CD2-CG 3.12Å; H397-F426 AromaticContact CD2-CZ 3.75Å; H397-F426 AromaticContact CE1-CD2 3.87Å; H397-F426 AromaticContact CE1-CE2 3.91Å; H397-F426 AromaticContact CG-CD2 3.75Å; H397-F426 AromaticContact CG-CE2 3.35Å; H397-F426 AromaticContact CG-CZ 3.56Å; H397-F426 AromaticContact ND1-CE2 3.69Å; H397-F426 AromaticContact NE2-CD2 3.34Å; H397-F426 VanDerWaalsContact NE2-CD2 3.34Å; H397-F426 WeakPolarHBondContact NE2-CD2 3.36Å; H397-F426 AromaticContact NE2-CE2 3.75Å; H397-F426 AromaticContact NE2-CG 3.83Å
398	D	86.3	Confident	88	Confident	126 Å²	126	63.3 Å²	63.3	67%	0.674	31%	0.306	S	S	*	.	S	Bend	trans	-87	-5	-179.9	-50.1	-66.8	0	0	0	113.8	T400 N403	D398-T400 PolarHBondContact O-N 3.31Å; D398-N403 PolarHBondContact O-ND2 2.73Å
399	M	86.8	Confident	87.7	Confident	36 Å²	36	59.3 Å²	59.3	18%	0.177	29%	0.291	C	S	.	.			trans	-80.2	78.7	175.3	-69.9	176.7	177.6	0	0	111.3	H397 F404 L409 P417 D418 W424 F426	H397-M399 PolarHBondContact CE1-O 2.72Å; H397-M399 PolarHBondContact ND1-O 2.94Å; H397-M399 VanDerWaalsContact ND1-O 3.1Å; M399-F404 HydrophobicContact CB-CD2 4.31Å; M399-F404 HydrophobicContact CB-CE2 4.2Å; M399-F404 HydrophobicContact CG-CD2 4.33Å; M399-F404 HydrophobicContact CG-CE2 3.81Å; M399-F404 HydrophobicContact CG-CZ 4.09Å; M399-L409 HydrophobicContact CB-CD1 4.48Å; M399-P417 HydrophobicContact SD-CG 3.82Å; M399-D418 HydrophobicContact CE-CB 3.78Å; M399-W424 HydrophobicContact CE-CH2 4.38Å; M399-W424 HydrophobicContact CE-CZ2 4.12Å; M399-W424 HydrophobicContact SD-CH2 3.42Å; M399-W424 WeakPolarHBondContact SD-CH2 3.43Å; M399-W424 HydrophobicContact SD-CZ2 3.56Å; M399-W424 VanDerWaalsContact SD-CZ2 3.56Å; M399-F426 HydrophobicContact CB-CE2 4.3Å; M399-F426 HydrophobicContact SD-CE2 4.49Å
400	T	87.5	Confident	87.5	Confident	20 Å²	20	66.3 Å²	66.3	12%	0.123	32%	0.318	C	S	.	.			trans	-113.5	162.6	179.3	77.7	0	0	0	0	111.4	D398 E402 N403 F404	D398-T400 PolarHBondContact O-N 3.31Å; T400-E402 WeakPolarHBondContact CB-OE2 3.33Å; T400-E402 PolarHBondContact O-N 3.35Å; T400-E402 PolarHBondContact OG1-OE2 3.05Å; T400-N403 PolarHBondContact O-N 3.47Å; T400-N403 VanDerWaalsContact O-N 3.1Å; T400-F404 PolarHBondContact O-N 2.84Å
401	P	87.1	Confident	87.5	Confident	37 Å²	37	66.3 Å²	66.3	24%	0.24	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-32.7	179.7	-24.4	34.4	0	0	0	113.7	W389 N403 K405 L409	W389-P401 HydrophobicContact CB-CG 4.49Å; P401-N403 VanDerWaalsContact C-N 3.35Å; P401-K405 WeakPolarHBondContact O-CA 3.5Å; P401-K405 VanDerWaalsContact O-CG 3.29Å; P401-K405 WeakPolarHBondContact O-CG 3.24Å; P401-K405 PolarHBondContact O-N 3.1Å; P401-L409 HydrophobicContact CG-CB 4.36Å; P401-L409 WeakPolarHBondContact CG-O 3.18Å
402	E	83.8	Confident	87.5	Confident	119 Å²	119	66 Å²	66	56%	0.556	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-34	-179.4	-55.6	68.8	-145.1	0	0	112	T400 K405	T400-E402 WeakPolarHBondContact CB-OE2 3.33Å; T400-E402 PolarHBondContact O-N 3.35Å; T400-E402 PolarHBondContact OG1-OE2 3.05Å; E402-K405 WeakPolarHBondContact O-CE 3.34Å; E402-K405 WeakPolarHBondContact O-CG 3.39Å
403	N	81.7	Confident	87.5	Confident	66 Å²	66	65.2 Å²	65.2	35%	0.353	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-29	-179.3	-74.8	-21.2	0	0	0	112.8	N275 P327 D398 T400 P401	N275-N403 PolarHBondContact ND2-O 3.3Å; P327-N403 HydrophobicContact CB-CB 4.24Å; P327-N403 HydrophobicContact CG-CB 4.16Å; D398-N403 PolarHBondContact O-ND2 2.73Å; T400-N403 PolarHBondContact O-N 3.47Å; T400-N403 VanDerWaalsContact O-N 3.1Å; P401-N403 VanDerWaalsContact C-N 3.35Å
404	F	82.3	Confident	87.6	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.018	27%	0.272	C	S	.	.	S	Bend	trans	-125.5	46.2	-173.2	-69.3	-92.7	0	0	0	112.4	N275 G325 P327 M399 T400 C406 K407 L409 P417	N275-F404 WeakPolarHBondContact OD1-CD1 3.45Å; G325-F404 VanDerWaalsContact O-CE1 3.24Å; G325-F404 WeakPolarHBondContact O-CE1 3.47Å; G325-F404 VanDerWaalsContact O-CZ 3.26Å; G325-F404 WeakPolarHBondContact O-CZ 3.31Å; P327-F404 HydrophobicContact CG-CE2 4.07Å; P327-F404 HydrophobicContact CG-CZ 4.22Å; M399-F404 HydrophobicContact CB-CD2 4.31Å; M399-F404 HydrophobicContact CB-CE2 4.2Å; M399-F404 HydrophobicContact CG-CD2 4.33Å; M399-F404 HydrophobicContact CG-CE2 3.81Å; M399-F404 HydrophobicContact CG-CZ 4.09Å; T400-F404 PolarHBondContact O-N 2.84Å; F404-C406 PolarHBondContact O-N 3.17Å; F404-K407 HydrophobicContact CB-CB 4.31Å; F404-K407 HydrophobicContact CB-CG 4.37Å; F404-K407 HydrophobicContact CD1-CG 4.33Å; F404-K407 PolarHBondContact O-N 3.4Å; F404-L409 HydrophobicContact CB-CD1 3.71Å; F404-L409 HydrophobicContact CB-CG 4.25Å; F404-L409 HydrophobicContact CG-CD1 4.33Å; F404-P417 HydrophobicContact CD1-CB 4.27Å
405	K	79.1	Confident	87.7	Confident	176 Å²	176	55.2 Å²	55.2	77%	0.765	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-33.2	-169.5	-63.1	-176.2	-180	-173.6	0	115.9	P401 E402	P401-K405 WeakPolarHBondContact O-CA 3.5Å; P401-K405 VanDerWaalsContact O-CG 3.29Å; P401-K405 WeakPolarHBondContact O-CG 3.24Å; P401-K405 PolarHBondContact O-N 3.1Å; E402-K405 WeakPolarHBondContact O-CE 3.34Å; E402-K405 WeakPolarHBondContact O-CG 3.39Å
406	C	77.4	Confident	87.5	Confident	48 Å²	48	54.7 Å²	54.7	32%	0.324	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-15	-179.6	81.5	0	0	0	0	114.6	C274 F404 D408	C274-C406 WeakPolarHBondContact CA-SG 3.45Å; C274-C406 HydrophobicContact CB-CB 4.14Å; C274-C406 WeakPolarHBondContact CB-SG 3.33Å; C274-C406 WeakPolarHBondContact SG-CB 3.5Å; C274-C406 CovalentContact SG-SG 2.03Å; C274-C406 PolarHBondContact SG-SG 3.12Å; F404-C406 PolarHBondContact O-N 3.17Å; C406-D408 PolarHBondContact O-N 3.24Å
407	K	82.5	Confident	87.1	Confident	11 Å²	11	47.3 Å²	47.3	5%	0.048	23%	0.228	C	C	.	.	S	Bend	trans	-85.2	13.5	-175.8	-59.1	-75.8	-177.3	134.4	0	112.6	E277 E371 F404 L409 P417	E277-K407 VanDerWaalsContact OE1-CE 3.23Å; E277-K407 WeakPolarHBondContact OE1-CE 3.47Å; E277-K407 IonicContact OE1-NZ 3.25Å; E277-K407 PolarHBondContact OE1-NZ 3.34Å; E277-K407 IonicContact OE2-NZ 2.73Å; E371-K407 IonicContact OE2-NZ 3.38Å; E371-K407 PolarHBondContact OE2-NZ 2.79Å; F404-K407 HydrophobicContact CB-CB 4.31Å; F404-K407 HydrophobicContact CB-CG 4.37Å; F404-K407 HydrophobicContact CD1-CG 4.33Å; F404-K407 PolarHBondContact O-N 3.4Å; K407-L409 HydrophobicContact CB-CD2 4.4Å; K407-L409 HydrophobicContact CB-CG 4.49Å; K407-L409 PolarHBondContact O-N 3.42Å; K407-P417 HydrophobicContact CB-CB 4.22Å; K407-P417 VanDerWaalsContact CE-O 3.32Å; K407-P417 WeakPolarHBondContact CE-O 3.48Å; K407-P417 HydrophobicContact CG-CB 4.32Å; K407-P417 PolarHBondContact NZ-O 2.9Å
408	D	85.1	Confident	86.6	Confident	23 Å²	23	49.6 Å²	49.6	12%	0.123	24%	0.24	C	C	.	.			trans	50.3	45.9	176.2	-166.8	41.9	0	0	0	115.8	R374 C406 R410 R415	R374-D408 VanDerWaalsContact CD-CB 3.43Å; R374-D408 WeakPolarHBondContact CD-OD2 3.24Å; C406-D408 PolarHBondContact O-N 3.24Å; D408-R410 VanDerWaalsContact CG-NH2 3.26Å; D408-R410 PolarHBondContact O-N 2.86Å; D408-R410 IonicContact OD1-CZ 3.19Å; D408-R410 IonicContact OD1-NE 2.67Å; D408-R410 PolarHBondContact OD1-NE 3.4Å; D408-R410 IonicContact OD1-NH2 2.91Å; D408-R410 PolarHBondContact OD1-NH2 2.96Å; D408-R410 IonicContact OD2-CZ 3.77Å; D408-R410 IonicContact OD2-NE 3.79Å; D408-R410 IonicContact OD2-NH2 2.89Å; D408-R410 PolarHBondContact OD2-NH2 3.19Å; D408-R415 WeakPolarHBondContact O-CD 3.09Å; D408-R415 PolarHBondContact O-NE 3.48Å; D408-R415 IonicContact OD2-CZ 2.83Å; D408-R415 IonicContact OD2-NE 3.81Å; D408-R415 PolarHBondContact OD2-NE 2.72Å; D408-R415 IonicContact OD2-NH2 3.1Å; D408-R415 PolarHBondContact OD2-NH2 3.43Å
409	L	89.9	Confident	85.9	Confident	5 Å²	5	44.8 Å²	44.8	3%	0.026	22%	0.22	C	C	.	.			trans	-73	40.3	-178.2	-58.7	-167.3	0	0	0	114.3	W389 M399 P401 F404 K407 R415 P417	W389-L409 HydrophobicContact CB-CB 3.83Å; W389-L409 HydrophobicContact CB-CD1 4.46Å; W389-L409 WeakPolarHBondContact CB-O 3.47Å; W389-L409 HydrophobicContact CD2-CB 4.22Å; W389-L409 HydrophobicContact CD2-CD1 4.24Å; W389-L409 HydrophobicContact CD2-CD2 3.91Å; W389-L409 HydrophobicContact CD2-CG 4.35Å; W389-L409 HydrophobicContact CE3-CD1 4.04Å; W389-L409 HydrophobicContact CE3-CD2 4.15Å; W389-L409 HydrophobicContact CG-CB 3.75Å; W389-L409 HydrophobicContact CG-CD1 4.44Å; W389-L409 HydrophobicContact CG-CD2 4.33Å; W389-L409 HydrophobicContact CG-CG 4.39Å; W389-L409 HydrophobicContact CH2-CD2 4.44Å; W389-L409 HydrophobicContact CZ2-CD2 4.23Å; W389-L409 HydrophobicContact CZ3-CD2 4.4Å; M399-L409 HydrophobicContact CB-CD1 4.48Å; P401-L409 HydrophobicContact CG-CB 4.36Å; P401-L409 WeakPolarHBondContact CG-O 3.18Å; F404-L409 HydrophobicContact CB-CD1 3.71Å; F404-L409 HydrophobicContact CB-CG 4.25Å; F404-L409 HydrophobicContact CG-CD1 4.33Å; K407-L409 HydrophobicContact CB-CD2 4.4Å; K407-L409 HydrophobicContact CB-CG 4.49Å; K407-L409 PolarHBondContact O-N 3.42Å; L409-R415 HydrophobicContact CD2-CB 3.65Å; L409-R415 HydrophobicContact CD2-CG 3.92Å; L409-P417 HydrophobicContact CD2-CB 4.21Å; L409-P417 HydrophobicContact CD2-CG 4.37Å
410	R	89.1	Confident	85.3	Confident	146 Å²	146	44.2 Å²	44.2	55%	0.551	22%	0.22	S	C	*	.			trans	-72	148.5	177.2	-75.9	-180	-69.4	159.1	4.1	111.9	D408 N412 Y413	D408-R410 VanDerWaalsContact CG-NH2 3.26Å; D408-R410 PolarHBondContact O-N 2.86Å; D408-R410 IonicContact OD1-CZ 3.19Å; D408-R410 IonicContact OD1-NE 2.67Å; D408-R410 PolarHBondContact OD1-NE 3.4Å; D408-R410 IonicContact OD1-NH2 2.91Å; D408-R410 PolarHBondContact OD1-NH2 2.96Å; D408-R410 IonicContact OD2-CZ 3.77Å; D408-R410 IonicContact OD2-NE 3.79Å; D408-R410 IonicContact OD2-NH2 2.89Å; D408-R410 PolarHBondContact OD2-NH2 3.19Å; R410-N412 PolarHBondContact O-N 3.11Å; R410-Y413 HydrophobicContact CB-CD2 4.37Å; R410-Y413 VanDerWaalsContact O-CD2 3.3Å; R410-Y413 WeakPolarHBondContact O-CD2 3.32Å; R410-Y413 PolarHBondContact O-N 2.84Å
411	E	93.6	Very high	84.5	Confident	80 Å²	80	49.2 Å²	49.2	37%	0.374	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	-131.6	176.2	-55.4	-57.4	94.3	0	0	112.4	R388 W389 Y413	R388-E411 VanDerWaalsContact CA-O 3.24Å; R388-E411 WeakPolarHBondContact CA-O 3.41Å; R388-E411 WeakPolarHBondContact CB-O 3.44Å; R388-E411 IonicContact CZ-OE1 3.2Å; R388-E411 IonicContact CZ-OE2 3.8Å; R388-E411 IonicContact NH1-OE1 3.76Å; R388-E411 PolarHBondContact NH1-OE1 2.97Å; R388-E411 IonicContact NH1-OE2 2.76Å; R388-E411 PolarHBondContact NH1-OE2 2.97Å; R388-E411 IonicContact NH2-OE1 2.77Å; R388-E411 PolarHBondContact NH2-OE1 3.06Å; R388-E411 IonicContact NH2-OE2 2.72Å; W389-E411 PolarHBondContact N-O 2.76Å; E411-Y413 HydrophobicContact CB-CD2 3.9Å; E411-Y413 HydrophobicContact CB-CE2 3.63Å; E411-Y413 HydrophobicContact CB-CG 4.44Å; E411-Y413 HydrophobicContact CG-CD2 4.31Å; E411-Y413 HydrophobicContact CG-CE2 3.61Å
412	N	94.6	Very high	84.1	Confident	28 Å²	28	48.9 Å²	48.9	15%	0.15	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	29	171.3	68.5	-26.9	0	0	0	111.8	N378 C386 Q387 R388 R410	N378-N412 WeakPolarHBondContact CB-O 3.27Å; N378-N412 WeakPolarHBondContact CB-OD1 3.14Å; N378-N412 PolarHBondContact ND2-OD1 3.02Å; N378-N412 VanDerWaalsContact ND2-OD1 3.1Å; C386-N412 HydrophobicContact CB-CB 3.86Å; C386-N412 WeakPolarHBondContact CB-O 3.34Å; C386-N412 WeakPolarHBondContact O-CB 3.19Å; C386-N412 PolarHBondContact O-ND2 3.46Å; Q387-N412 WeakPolarHBondContact O-CB 3.44Å; R388-N412 HydrophobicContact CB-CB 4.45Å; R388-N412 HydrophobicContact CG-CB 4.11Å; R410-N412 PolarHBondContact O-N 3.11Å
413	Y	95.5	Very high	84.3	Confident	57 Å²	57	43.2 Å²	43.2	22%	0.224	21%	0.214	C	C	.	.			trans	-72.8	143.9	-177.2	-57.1	-52	0	0	0	112.1	T376 A377 N378 W389 R410 E411 R415	T376-Y413 VanDerWaalsContact C-CD1 3.49Å; T376-Y413 VanDerWaalsContact CA-CD1 3.44Å; T376-Y413 HydrophobicContact CG2-CE1 3.93Å; T376-Y413 VanDerWaalsContact O-CD1 3.27Å; T376-Y413 WeakPolarHBondContact O-CD1 3.24Å; T376-Y413 WeakPolarHBondContact O-CE1 3.23Å; A377-Y413 CarbonylContact O-C 3.58Å; A377-Y413 WeakPolarHBondContact O-CA 3.39Å; N378-Y413 HydrophobicContact CB-CD1 4.03Å; W389-Y413 PolarHBondContact NE1-O 3.38Å; R410-Y413 HydrophobicContact CB-CD2 4.37Å; R410-Y413 VanDerWaalsContact O-CD2 3.3Å; R410-Y413 WeakPolarHBondContact O-CD2 3.32Å; R410-Y413 PolarHBondContact O-N 2.84Å; E411-Y413 HydrophobicContact CB-CD2 3.9Å; E411-Y413 HydrophobicContact CB-CE2 3.63Å; E411-Y413 HydrophobicContact CB-CG 4.44Å; E411-Y413 HydrophobicContact CG-CD2 4.31Å; E411-Y413 HydrophobicContact CG-CE2 3.61Å; Y413-R415 PolarHBondContact O-N 3.36Å
414	C	92.6	Very high	84.8	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.199	C	C	.	.			trans	-59.7	127.6	174.2	-61.4	0	0	0	0	110.8	Y373 A377 P423 W424 C437 I440	Y373-C414 WeakPolarHBondContact CD1-O 3.29Å; Y373-C414 HydrophobicContact CE1-CB 4.5Å; A377-C414 PolarHBondContact O-N 2.99Å; A377-C414 PolarHBondContact O-SG 2.87Å; C414-P423 HydrophobicContact CB-CB 4.33Å; C414-W424 WeakPolarHBondContact CA-O 3.4Å; C414-C437 HydrophobicContact CB-CB 3.51Å; C414-C437 WeakPolarHBondContact CB-SG 3.27Å; C414-C437 WeakPolarHBondContact SG-CB 3.26Å; C414-C437 CovalentContact SG-SG 2.02Å; C414-C437 PolarHBondContact SG-SG 2.92Å; C414-I440 HydrophobicContact CB-CD1 4.06Å
415	R	93.3	Very high	85.4	Confident	1 Å²	1	40.4 Å²	40.4	0%	0.004	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-141.9	165.9	-178.3	-67	-65.2	178.3	-99.1	7.4	110.4	Y373 R374 G375 W389 D408 L409 Y413 P417 P423 W424	Y373-R415 WeakPolarHBondContact O-CD 3.47Å; R374-R415 VanDerWaalsContact C-NH2 3.29Å; R374-R415 PolarHBondContact O-NH2 3.35Å; G375-R415 PolarHBondContact O-NH1 2.79Å; G375-R415 PolarHBondContact O-NH2 3.33Å; W389-R415 HydrophobicContact CZ2-CB 3.95Å; D408-R415 WeakPolarHBondContact O-CD 3.09Å; D408-R415 PolarHBondContact O-NE 3.48Å; D408-R415 IonicContact OD2-CZ 2.83Å; D408-R415 IonicContact OD2-NE 3.81Å; D408-R415 PolarHBondContact OD2-NE 2.72Å; D408-R415 IonicContact OD2-NH2 3.1Å; D408-R415 PolarHBondContact OD2-NH2 3.43Å; L409-R415 HydrophobicContact CD2-CB 3.65Å; L409-R415 HydrophobicContact CD2-CG 3.92Å; Y413-R415 PolarHBondContact O-N 3.36Å; R415-P417 WeakPolarHBondContact O-CD 3.38Å; R415-P423 WeakPolarHBondContact O-CA 3.15Å; R415-W424 PolarHBondContact N-O 2.85Å; R415-W424 PolarHBondContact O-N 3.25Å
416	N	88.6	Confident	86.2	Confident	4 Å²	4	32.5 Å²	32.5	2%	0.021	16%	0.164	C	C	.	.			trans	-121.7	77	173.6	-167.3	-6.1	0	0	0	109.7	Q369 E371 D418 G419 S420 P423	Q369-N416 PolarHBondContact O-ND2 3.29Å; E371-N416 HydrophobicContact CG-CB 4.22Å; N416-D418 VanDerWaalsContact C-N 3.29Å; N416-D418 PolarHBondContact O-N 3.3Å; N416-D418 PolarHBondContact OD1-OD1 3.26Å; N416-G419 PolarHBondContact OD1-N 3.43Å; N416-G419 VanDerWaalsContact OD1-N 3.14Å; N416-S420 PolarHBondContact ND2-O 2.92Å; N416-S420 PolarHBondContact OD1-N 2.85Å; N416-P423 HydrophobicContact CB-CG 4.47Å
417	P	84.4	Confident	86.9	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-68	-26.7	-177.9	25.2	-32.5	0	0	0	113.7	W389 M399 F404 K407 L409 R415 W424	W389-P417 HydrophobicContact CH2-CG 4.36Å; W389-P417 HydrophobicContact CZ3-CG 4.31Å; M399-P417 HydrophobicContact SD-CG 3.82Å; F404-P417 HydrophobicContact CD1-CB 4.27Å; K407-P417 HydrophobicContact CB-CB 4.22Å; K407-P417 VanDerWaalsContact CE-O 3.32Å; K407-P417 WeakPolarHBondContact CE-O 3.48Å; K407-P417 HydrophobicContact CG-CB 4.32Å; K407-P417 PolarHBondContact NZ-O 2.9Å; L409-P417 HydrophobicContact CD2-CB 4.21Å; L409-P417 HydrophobicContact CD2-CG 4.37Å; R415-P417 WeakPolarHBondContact O-CD 3.38Å; P417-W424 HydrophobicContact CG-CZ2 3.92Å
418	D	77.6	Confident	87.4	Confident	54 Å²	54	32.9 Å²	32.9	29%	0.289	17%	0.166	S	C	.	.	S	Bend	trans	-115.4	6.4	-163.8	65.6	-10.9	0	0	0	115.5	M399 N416 S420 W424	M399-D418 HydrophobicContact CE-CB 3.78Å; N416-D418 VanDerWaalsContact C-N 3.29Å; N416-D418 PolarHBondContact O-N 3.3Å; N416-D418 PolarHBondContact OD1-OD1 3.26Å; D418-S420 VanDerWaalsContact CG-OG 3.25Å; D418-S420 VanDerWaalsContact OD1-CB 3.3Å; D418-S420 WeakPolarHBondContact OD1-CB 3.43Å; D418-S420 PolarHBondContact OD1-N 2.95Å; D418-S420 PolarHBondContact OD1-OG 2.76Å; D418-S420 PolarHBondContact OD2-OG 3.24Å; D418-W424 PolarHBondContact OD1-NE1 3.22Å
419	G	71.9	Confident	87.5	Confident	25 Å²	25	33.8 Å²	33.8	26%	0.258	17%	0.171	S	C	.	.			trans	72.9	28	-179.7	0	0	0	0	0	113.4	Q369 N416	Q369-G419 PolarHBondContact NE2-O 3.21Å; N416-G419 PolarHBondContact OD1-N 3.43Å; N416-G419 VanDerWaalsContact OD1-N 3.14Å
420	S	73.6	Confident	87.4	Confident	25 Å²	25	37.6 Å²	37.6	18%	0.175	20%	0.196	C	C	.	.			trans	-63.5	171.5	172.7	-73.9	0	0	0	0	112.6	Q369 N416 D418 S422	Q369-S420 PolarHBondContact NE2-O 2.9Å; N416-S420 PolarHBondContact ND2-O 2.92Å; N416-S420 PolarHBondContact OD1-N 2.85Å; D418-S420 VanDerWaalsContact CG-OG 3.25Å; D418-S420 VanDerWaalsContact OD1-CB 3.3Å; D418-S420 WeakPolarHBondContact OD1-CB 3.43Å; D418-S420 PolarHBondContact OD1-N 2.95Å; D418-S420 PolarHBondContact OD1-OG 2.76Å; D418-S420 PolarHBondContact OD2-OG 3.24Å; S420-S422 PolarHBondContact O-N 3.29Å; S420-S422 VanDerWaalsContact O-N 3.14Å
421	E	70.8	Confident	87.3	Confident	124 Å²	124	37.5 Å²	37.5	58%	0.579	21%	0.206	S	C	*	.	S	Bend	trans	-63.1	-21.4	-174.9	-63.5	-173.2	168.1	0	0	114.6	N458	E421-N458 PolarHBondContact OE2-ND2 3.02Å
422	S	78.6	Confident	86.6	Confident	30 Å²	30	36.5 Å²	36.5	21%	0.21	20%	0.203	C	C	.	.	S	Bend	trans	-163.3	165.5	178.9	-68.8	0	0	0	0	110.3	S420	S420-S422 PolarHBondContact O-N 3.29Å; S420-S422 VanDerWaalsContact O-N 3.14Å
423	P	88.3	Confident	86.1	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.006	22%	0.218	C	C	.	.			trans	-58.3	145.4	172.1	-25.4	37	0	0	0	113.1	I366 Y373 C414 R415 N416 C437 I440	I366-P423 HydrophobicContact CG2-CG 3.68Å; Y373-P423 HydrophobicContact CD1-CG 4.49Å; C414-P423 HydrophobicContact CB-CB 4.33Å; R415-P423 WeakPolarHBondContact O-CA 3.15Å; N416-P423 HydrophobicContact CB-CG 4.47Å; P423-C437 PolarHBondContact O-N 3.19Å; P423-I440 HydrophobicContact CB-CD1 4.22Å; P423-I440 HydrophobicContact CG-CD1 4.47Å
424	W	92	Very high	85.6	Confident	11 Å²	11	41.1 Å²	41.1	4%	0.042	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	175.5	-174.4	62.3	-93.2	0	0	0	110.9	W389 M399 C414 R415 P417 D418 F426 V434 G435 Y436	W389-W424 HydrophobicContact CH2-CD2 4.41Å; W389-W424 HydrophobicContact CH2-CE3 4.02Å; W389-W424 HydrophobicContact CH2-CH2 4.4Å; W389-W424 HydrophobicContact CH2-CZ3 4.01Å; W389-W424 WeakPolarHBondContact CZ2-O 3.02Å; W389-W424 HydrophobicContact CZ3-CE3 4.48Å; W389-W424 HydrophobicContact CZ3-CH2 4.18Å; W389-W424 HydrophobicContact CZ3-CZ3 4Å; M399-W424 HydrophobicContact CE-CH2 4.38Å; M399-W424 HydrophobicContact CE-CZ2 4.12Å; M399-W424 HydrophobicContact SD-CH2 3.42Å; M399-W424 WeakPolarHBondContact SD-CH2 3.43Å; M399-W424 HydrophobicContact SD-CZ2 3.56Å; M399-W424 VanDerWaalsContact SD-CZ2 3.56Å; C414-W424 WeakPolarHBondContact CA-O 3.4Å; R415-W424 PolarHBondContact N-O 2.85Å; R415-W424 PolarHBondContact O-N 3.25Å; P417-W424 HydrophobicContact CG-CZ2 3.92Å; D418-W424 PolarHBondContact OD1-NE1 3.22Å; W424-F426 HydrophobicContact CH2-CD2 4.47Å; W424-F426 HydrophobicContact CH2-CE1 4.46Å; W424-F426 AromaticContact CH2-CE2 3.72Å; W424-F426 HydrophobicContact CH2-CE2 3.72Å; W424-F426 AromaticContact CH2-CZ 3.7Å; W424-F426 HydrophobicContact CH2-CZ 3.7Å; W424-F426 HydrophobicContact CZ3-CD1 4.43Å; W424-F426 AromaticContact CZ3-CD2 3.86Å; W424-F426 HydrophobicContact CZ3-CD2 3.86Å; W424-F426 HydrophobicContact CZ3-CE1 4.15Å; W424-F426 AromaticContact CZ3-CE2 3.55Å; W424-F426 HydrophobicContact CZ3-CE2 3.55Å; W424-F426 HydrophobicContact CZ3-CG 4.28Å; W424-F426 AromaticContact CZ3-CZ 3.7Å; W424-F426 HydrophobicContact CZ3-CZ 3.7Å; W424-V434 HydrophobicContact CB-CG1 4.26Å; W424-V434 HydrophobicContact CD2-CG1 3.99Å; W424-V434 HydrophobicContact CE3-CB 4.31Å; W424-V434 HydrophobicContact CE3-CG1 3.47Å; W424-V434 VanDerWaalsContact CE3-CG1 3.47Å; W424-V434 HydrophobicContact CE3-CG2 3.91Å; W424-V434 HydrophobicContact CG-CG1 4.36Å; W424-V434 HydrophobicContact CH2-CG2 4.37Å; W424-V434 HydrophobicContact CZ3-CB 4.47Å; W424-V434 HydrophobicContact CZ3-CG1 4.04Å; W424-V434 HydrophobicContact CZ3-CG2 3.59Å; W424-G435 VanDerWaalsContact CA-O 3.31Å; W424-G435 WeakPolarHBondContact CA-O 3.24Å; W424-G435 VanDerWaalsContact CB-O 3.32Å; W424-G435 WeakPolarHBondContact CB-O 3.31Å; W424-Y436 HydrophobicContact CB-CD1 3.78Å; W424-Y436 HydrophobicContact CB-CE1 4.11Å; W424-Y436 HydrophobicContact CB-CG 4.38Å; W424-Y436 HydrophobicContact CG-CE1 4.43Å
425	C	94.6	Very high	85.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	160.3	168.2	64.5	0	0	0	0	111.2	I380 C386 W389 V434 G435	I380-C425 VanDerWaalsContact CG2-SG 3.53Å; C386-C425 VanDerWaalsContact CA-SG 3.51Å; C386-C425 HydrophobicContact CB-CB 3.55Å; C386-C425 WeakPolarHBondContact CB-SG 3.49Å; C386-C425 WeakPolarHBondContact SG-CB 3.14Å; C386-C425 CovalentContact SG-SG 2.02Å; C386-C425 PolarHBondContact SG-SG 2.7Å; W389-C425 HydrophobicContact CZ2-CB 4.1Å; C425-V434 WeakPolarHBondContact O-CA 3.34Å; C425-G435 PolarHBondContact N-O 3.02Å; C425-G435 PolarHBondContact O-N 3.02Å
426	F	95.5	Very high	84.7	Confident	10 Å²	10	46.2 Å²	46.2	4%	0.044	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	145.4	158.2	-63	-82.5	0	0	0	108.5	C386 Q387 W389 H395 H397 M399 W424 R433 V434	C386-F426 CarbonylContact C-O 3.5Å; C386-F426 WeakPolarHBondContact CA-O 3.17Å; Q387-F426 HydrophobicContact CB-CB 4.03Å; Q387-F426 PolarHBondContact N-O 2.84Å; W389-F426 AromaticContact CE3-CD2 3.98Å; W389-F426 HydrophobicContact CE3-CD2 3.98Å; W389-F426 HydrophobicContact CE3-CE2 4.1Å; W389-F426 AromaticContact CZ3-CD2 3.75Å; W389-F426 HydrophobicContact CZ3-CD2 3.75Å; W389-F426 AromaticContact CZ3-CE2 3.71Å; W389-F426 HydrophobicContact CZ3-CE2 3.71Å; H395-F426 HydrophobicContact CB-CB 4.48Å; H395-F426 HydrophobicContact CB-CD1 4Å; H397-F426 HydrophobicContact CB-CD2 4.47Å; H397-F426 HydrophobicContact CB-CE1 3.8Å; H397-F426 HydrophobicContact CB-CE2 3.75Å; H397-F426 HydrophobicContact CB-CZ 3.38Å; H397-F426 AromaticContact CD2-CD1 3.8Å; H397-F426 AromaticContact CD2-CD2 3.24Å; H397-F426 WeakPolarHBondContact CD2-CD2 3.35Å; H397-F426 AromaticContact CD2-CE1 3.94Å; H397-F426 AromaticContact CD2-CE2 3.38Å; H397-F426 WeakPolarHBondContact CD2-CE2 3.08Å; H397-F426 AromaticContact CD2-CG 3.47Å; H397-F426 VanDerWaalsContact CD2-CG 3.47Å; H397-F426 WeakPolarHBondContact CD2-CG 3.12Å; H397-F426 AromaticContact CD2-CZ 3.75Å; H397-F426 AromaticContact CE1-CD2 3.87Å; H397-F426 AromaticContact CE1-CE2 3.91Å; H397-F426 AromaticContact CG-CD2 3.75Å; H397-F426 AromaticContact CG-CE2 3.35Å; H397-F426 AromaticContact CG-CZ 3.56Å; H397-F426 AromaticContact ND1-CE2 3.69Å; H397-F426 AromaticContact NE2-CD2 3.34Å; H397-F426 VanDerWaalsContact NE2-CD2 3.34Å; H397-F426 WeakPolarHBondContact NE2-CD2 3.36Å; H397-F426 AromaticContact NE2-CE2 3.75Å; H397-F426 AromaticContact NE2-CG 3.83Å; M399-F426 HydrophobicContact CB-CE2 4.3Å; M399-F426 HydrophobicContact SD-CE2 4.49Å; W424-F426 HydrophobicContact CH2-CD2 4.47Å; W424-F426 HydrophobicContact CH2-CE1 4.46Å; W424-F426 AromaticContact CH2-CE2 3.72Å; W424-F426 HydrophobicContact CH2-CE2 3.72Å; W424-F426 AromaticContact CH2-CZ 3.7Å; W424-F426 HydrophobicContact CH2-CZ 3.7Å; W424-F426 HydrophobicContact CZ3-CD1 4.43Å; W424-F426 AromaticContact CZ3-CD2 3.86Å; W424-F426 HydrophobicContact CZ3-CD2 3.86Å; W424-F426 HydrophobicContact CZ3-CE1 4.15Å; W424-F426 AromaticContact CZ3-CE2 3.55Å; W424-F426 HydrophobicContact CZ3-CE2 3.55Å; W424-F426 HydrophobicContact CZ3-CG 4.28Å; W424-F426 AromaticContact CZ3-CZ 3.7Å; W424-F426 HydrophobicContact CZ3-CZ 3.7Å; F426-R433 WeakPolarHBondContact CA-O 3.27Å; F426-R433 HydrophobicContact CD1-CG 4.28Å; F426-R433 VanDerWaalsContact CD1-O 3.3Å; F426-R433 WeakPolarHBondContact CD1-O 3.31Å; F426-R433 HydrophobicContact CE1-CG 4.44Å; F426-V434 HydrophobicContact CD1-CG2 3.81Å; F426-V434 HydrophobicContact CE1-CG2 3.8Å
427	T	93.2	Very high	84.4	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-103.2	159.5	-176.9	94.6	0	0	0	0	112.3	I380 H395 D429 I432	I380-T427 HydrophobicContact CD1-CG2 3.96Å; I380-T427 HydrophobicContact CG1-CG2 4.45Å; I380-T427 HydrophobicContact CG2-CG2 4.43Å; H395-T427 PolarHBondContact CD2-O 3.21Å; T427-D429 PolarHBondContact O-N 2.85Å; T427-D429 PolarHBondContact OG1-N 3.3Å; T427-D429 VanDerWaalsContact OG1-N 3.09Å; T427-D429 PolarHBondContact OG1-O 3.23Å; T427-I432 WeakPolarHBondContact CB-O 3.29Å; T427-I432 HydrophobicContact CG2-CB 4.36Å; T427-I432 HydrophobicContact CG2-CG2 3.83Å; T427-I432 WeakPolarHBondContact CG2-O 3.42Å; T427-I432 PolarHBondContact OG1-O 2.76Å
428	T	93.3	Very high	84	Confident	67 Å²	67	47.9 Å²	47.9	41%	0.411	26%	0.258	S	S	.	.	S	Bend	trans	-74.6	-5	172.8	57.1	0	0	0	0	114	P385	P385-T428 HydrophobicContact CB-CG2 4.02Å; P385-T428 PolarHBondContact O-N 3.13Å; P385-T428 PolarHBondContact O-OG1 3.12Å
429	D	87	Confident	83.7	Confident	41 Å²	41	49 Å²	49	22%	0.219	26%	0.262	C	S	.	.	S	Bend	trans	-85.7	120.3	174.3	-174	-17.7	0	0	0	110.2	I384 H395 T427 N431 I432	I384-D429 HydrophobicContact CD1-CB 4.46Å; I384-D429 HydrophobicContact CG2-CB 4.25Å; H395-D429 PolarHBondContact NE2-O 3.08Å; T427-D429 PolarHBondContact O-N 2.85Å; T427-D429 PolarHBondContact OG1-N 3.3Å; T427-D429 VanDerWaalsContact OG1-N 3.09Å; T427-D429 PolarHBondContact OG1-O 3.23Å; D429-N431 PolarHBondContact O-N 3.06Å; D429-N431 VanDerWaalsContact O-N 3.1Å; D429-N431 WeakPolarHBondContact OD1-CB 3.29Å; D429-N431 PolarHBondContact OD1-N 3.34Å; D429-N431 PolarHBondContact OD1-ND2 3.24Å; D429-I432 HydrophobicContact CB-CB 4.29Å; D429-I432 HydrophobicContact CB-CG1 4.48Å; D429-I432 PolarHBondContact O-N 3.5Å; D429-I432 VanDerWaalsContact O-N 3.13Å
430	P	88.2	Confident	83.9	Confident	85 Å²	85	48.5 Å²	48.5	55%	0.552	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-21.2	175.4	-23.5	33.9	0	0	0	114.9	P394 H395	P394-P430 HydrophobicContact CB-CB 4.14Å; P394-P430 HydrophobicContact CB-CG 3.94Å; P394-P430 HydrophobicContact CG-CG 4.41Å; H395-P430 PolarHBondContact CE1-O 2.86Å
431	N	86.8	Confident	83.7	Confident	145 Å²	145	51 Å²	51	78%	0.775	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-26.2	179.4	-53.7	-79.6	0	0	0	112.6	D429	D429-N431 PolarHBondContact O-N 3.06Å; D429-N431 VanDerWaalsContact O-N 3.1Å; D429-N431 WeakPolarHBondContact OD1-CB 3.29Å; D429-N431 PolarHBondContact OD1-N 3.34Å; D429-N431 PolarHBondContact OD1-ND2 3.24Å
432	I	77.8	Confident	83.7	Confident	58 Å²	58	47.7 Å²	47.7	30%	0.297	26%	0.255	S	S	.	.			trans	-113.4	94.5	-175	-55.3	178.6	0	0	0	109	I384 H395 T427 D429 V434	I384-I432 HydrophobicContact CD1-CD1 3.74Å; H395-I432 PolarHBondContact NE2-O 3.16Å; T427-I432 WeakPolarHBondContact CB-O 3.29Å; T427-I432 HydrophobicContact CG2-CB 4.36Å; T427-I432 HydrophobicContact CG2-CG2 3.83Å; T427-I432 WeakPolarHBondContact CG2-O 3.42Å; T427-I432 PolarHBondContact OG1-O 2.76Å; D429-I432 HydrophobicContact CB-CB 4.29Å; D429-I432 HydrophobicContact CB-CG1 4.48Å; D429-I432 PolarHBondContact O-N 3.5Å; D429-I432 VanDerWaalsContact O-N 3.13Å; I432-V434 PolarHBondContact O-N 3.02Å
433	R	83.8	Confident	83	Confident	125 Å²	125	47.6 Å²	47.6	47%	0.472	25%	0.254	S	S	.	.			trans	-63.1	-42.7	-174.2	-175.4	171.1	169.9	79.3	1.5	113.9	H395 K396 F426	H395-R433 HydrophobicContact CB-CG 4.4Å; H395-R433 VanDerWaalsContact CE1-CA 3.47Å; H395-R433 WeakPolarHBondContact CE1-CA 3.32Å; K396-R433 PolarHBondContact O-NH1 2.96Å; K396-R433 PolarHBondContact O-NH2 3.04Å; F426-R433 WeakPolarHBondContact CA-O 3.27Å; F426-R433 HydrophobicContact CD1-CG 4.28Å; F426-R433 VanDerWaalsContact CD1-O 3.3Å; F426-R433 WeakPolarHBondContact CD1-O 3.31Å; F426-R433 HydrophobicContact CE1-CG 4.44Å
434	V	86.7	Confident	81.5	Confident	57 Å²	57	51.2 Å²	51.2	35%	0.345	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	143.7	-179	166.7	0	0	0	0	108.5	W424 C425 F426 I432	W424-V434 HydrophobicContact CB-CG1 4.26Å; W424-V434 HydrophobicContact CD2-CG1 3.99Å; W424-V434 HydrophobicContact CE3-CB 4.31Å; W424-V434 HydrophobicContact CE3-CG1 3.47Å; W424-V434 VanDerWaalsContact CE3-CG1 3.47Å; W424-V434 HydrophobicContact CE3-CG2 3.91Å; W424-V434 HydrophobicContact CG-CG1 4.36Å; W424-V434 HydrophobicContact CH2-CG2 4.37Å; W424-V434 HydrophobicContact CZ3-CB 4.47Å; W424-V434 HydrophobicContact CZ3-CG1 4.04Å; W424-V434 HydrophobicContact CZ3-CG2 3.59Å; C425-V434 WeakPolarHBondContact O-CA 3.34Å; F426-V434 HydrophobicContact CD1-CG2 3.81Å; F426-V434 HydrophobicContact CE1-CG2 3.8Å; I432-V434 PolarHBondContact O-N 3.02Å
435	G	83	Confident	79.6	Confident	8 Å²	8	57.5 Å²	57.5	8%	0.082	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	151.6	165.7	0	0	0	0	0	111.9	I380 W424 C425	I380-G435 VanDerWaalsContact CG2-C 3.5Å; I380-G435 WeakPolarHBondContact CG2-O 3.49Å; W424-G435 VanDerWaalsContact CA-O 3.31Å; W424-G435 WeakPolarHBondContact CA-O 3.24Å; W424-G435 VanDerWaalsContact CB-O 3.32Å; W424-G435 WeakPolarHBondContact CB-O 3.31Å; C425-G435 PolarHBondContact N-O 3.02Å; C425-G435 PolarHBondContact O-N 3.02Å
436	Y	83.6	Confident	77.1	Confident	101 Å²	101	62.5 Å²	62.5	40%	0.396	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	143.1	177.2	-68.8	-81.2	0	0	0	111.1	W424 S438	W424-Y436 HydrophobicContact CB-CD1 3.78Å; W424-Y436 HydrophobicContact CB-CE1 4.11Å; W424-Y436 HydrophobicContact CB-CG 4.38Å; W424-Y436 HydrophobicContact CG-CE1 4.43Å; Y436-S438 VanDerWaalsContact C-N 3.3Å; Y436-S438 PolarHBondContact O-N 3Å
437	C	82.6	Confident	74.7	Confident	2 Å²	2	69.9 Å²	69.9	1%	0.014	38%	0.38	C	S	.	.			trans	-93.8	58.2	179	-56.8	0	0	0	0	111	T379 C414 P423 Q439 I440	T379-C437 PolarHBondContact O-SG 3.39Å; C414-C437 HydrophobicContact CB-CB 3.51Å; C414-C437 WeakPolarHBondContact CB-SG 3.27Å; C414-C437 WeakPolarHBondContact SG-CB 3.26Å; C414-C437 CovalentContact SG-SG 2.02Å; C414-C437 PolarHBondContact SG-SG 2.92Å; P423-C437 PolarHBondContact O-N 3.19Å; C437-Q439 PolarHBondContact O-N 3.05Å; C437-Q439 VanDerWaalsContact O-N 3.08Å; C437-Q439 PolarHBondContact O-OE1 3.47Å; C437-I440 HydrophobicContact CB-CD1 3.76Å; C437-I440 HydrophobicContact CB-CG1 4.34Å; C437-I440 WeakPolarHBondContact O-CD1 3.03Å; C437-I440 WeakPolarHBondContact O-CG1 3.41Å; C437-I440 PolarHBondContact O-N 2.61Å
438	S	75.8	Confident	72.3	Confident	36 Å²	36	72.9 Å²	72.9	25%	0.252	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-2.3	-177.1	44	0	0	0	0	114.8	Y436 I440	Y436-S438 VanDerWaalsContact C-N 3.3Å; Y436-S438 PolarHBondContact O-N 3Å; S438-I440 VanDerWaalsContact C-N 3.31Å
439	Q	70.8	Confident	70.4	Confident	79 Å²	79	77.2 Å²	77.2	37%	0.369	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-11.2	171.7	77.6	-75.5	-2.7	0	0	114	T379 C437	T379-Q439 PolarHBondContact O-NE2 3Å; C437-Q439 PolarHBondContact O-N 3.05Å; C437-Q439 VanDerWaalsContact O-N 3.08Å; C437-Q439 PolarHBondContact O-OE1 3.47Å
440	I	76.8	Confident	69.7	Low	14 Å²	14	78.2 Å²	78.2	7%	0.072	43%	0.432	C	S	.	.	S	Bend	trans	-78.6	121.1	177.2	-51	159.1	0	0	0	108.5	I366 Y373 A377 C414 P423 C437 S438	I366-I440 HydrophobicContact CG2-CB 4.04Å; I366-I440 HydrophobicContact CG2-CD1 4.42Å; I366-I440 HydrophobicContact CG2-CG2 3.65Å; Y373-I440 HydrophobicContact CD1-CD1 3.97Å; Y373-I440 HydrophobicContact CD2-CG2 4.14Å; Y373-I440 HydrophobicContact CE1-CD1 3.49Å; Y373-I440 VanDerWaalsContact CE1-CD1 3.49Å; Y373-I440 HydrophobicContact CE1-CG1 4.33Å; Y373-I440 HydrophobicContact CE2-CD1 4.36Å; Y373-I440 HydrophobicContact CE2-CG2 3.54Å; A377-I440 HydrophobicContact CB-CD1 4.12Å; A377-I440 HydrophobicContact CB-CG1 3.92Å; C414-I440 HydrophobicContact CB-CD1 4.06Å; P423-I440 HydrophobicContact CB-CD1 4.22Å; P423-I440 HydrophobicContact CG-CD1 4.47Å; C437-I440 HydrophobicContact CB-CD1 3.76Å; C437-I440 HydrophobicContact CB-CG1 4.34Å; C437-I440 WeakPolarHBondContact O-CD1 3.03Å; C437-I440 WeakPolarHBondContact O-CG1 3.41Å; C437-I440 PolarHBondContact O-N 2.61Å; S438-I440 VanDerWaalsContact C-N 3.31Å
441	P	69.6	Low	69.3	Low	78 Å²	78	76.1 Å²	76.1	51%	0.506	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-68.4	162.5	-179.2	29.8	-35.9	0	0	0	111.7	E364 C365 I366	E364-P441 WeakPolarHBondContact O-CD 3.42Å; E364-P441 WeakPolarHBondContact O-CG 3.49Å; C365-P441 CarbonylContact C-O 3.56Å; C365-P441 WeakPolarHBondContact CA-O 3.43Å; C365-P441 HydrophobicContact CB-CG 4.17Å; C365-P441 WeakPolarHBondContact CB-O 3.41Å; I366-P441 PolarHBondContact N-O 2.91Å
442	N	69.1	Low	68.9	Low	53 Å²	53	70.3 Å²	70.3	28%	0.283	39%	0.386	S	S	.	.	B	Isolated β-bridge	trans	-93	139.7	176	-167.9	-59.2	0	0	0	111.6	I366 D444 M445	I366-N442 HydrophobicContact CG1-CB 4.14Å; I366-N442 CarbonylContact O-C 3.48Å; I366-N442 VanDerWaalsContact O-CA 3.26Å; I366-N442 WeakPolarHBondContact O-CA 3.36Å; I366-N442 VanDerWaalsContact O-CG 3.29Å; I366-N442 PolarHBondContact O-OD1 2.03Å; N442-D444 PolarHBondContact OD1-N 3.16Å; N442-M445 HydrophobicContact CB-CG 4.11Å; N442-M445 VanDerWaalsContact O-CB 3.29Å; N442-M445 WeakPolarHBondContact O-CB 3.44Å; N442-M445 WeakPolarHBondContact O-CG 3.39Å
443	C	64.2	Low	69.1	Low	29 Å²	29	76.1 Å²	76.1	20%	0.196	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-70.1	-29.3	-176.3	-56.2	0	0	0	0	113.6	T362 C365 I366 Q367 M445	T362-C443 VanDerWaalsContact CG2-SG 3.59Å; C365-C443 HydrophobicContact CB-CB 4.02Å; C365-C443 WeakPolarHBondContact CB-SG 3.3Å; C365-C443 WeakPolarHBondContact SG-CA 3.23Å; C365-C443 WeakPolarHBondContact SG-CB 3.39Å; C365-C443 CovalentContact SG-SG 2.04Å; C365-C443 PolarHBondContact SG-SG 3.28Å; I366-C443 VanDerWaalsContact C-SG 3.57Å; I366-C443 PolarHBondContact O-N 2.77Å; I366-C443 PolarHBondContact O-SG 3.02Å; Q367-C443 HydrophobicContact CB-CB 4.33Å; C443-M445 PolarHBondContact O-N 2.72Å; C443-M445 VanDerWaalsContact O-N 3.09Å
444	D	57.3	Low	68.9	Low	77 Å²	77	71.3 Å²	71.3	41%	0.412	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-72.5	-2.3	-177.6	-57.3	-30.9	0	0	0	112.4	Q367 N442 S446	Q367-D444 PolarHBondContact NE2-OD1 3.33Å; N442-D444 PolarHBondContact OD1-N 3.16Å; D444-S446 PolarHBondContact O-N 3.06Å; D444-S446 VanDerWaalsContact O-N 3.14Å
445	M	51.1	Low	68.4	Low	142 Å²	142	70.5 Å²	70.5	70%	0.7	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-68.5	-3.2	-179.4	-69.4	-80.5	-70.1	0	0	115.2	N442 C443	N442-M445 HydrophobicContact CB-CG 4.11Å; N442-M445 VanDerWaalsContact O-CB 3.29Å; N442-M445 WeakPolarHBondContact O-CB 3.44Å; N442-M445 WeakPolarHBondContact O-CG 3.39Å; C443-M445 PolarHBondContact O-N 2.72Å; C443-M445 VanDerWaalsContact O-N 3.09Å
446	S	42.2	Very low	68.3	Low	106 Å²	106	70.1 Å²	70.1	74%	0.741	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-87	-16.5	-176.9	57.9	0	0	0	0	114.7	D444	D444-S446 PolarHBondContact O-N 3.06Å; D444-S446 VanDerWaalsContact O-N 3.14Å
447	N	46.2	Very low	68.3	Low	164 Å²	164	69.8 Å²	69.8	88%	0.877	38%	0.384	S	S	*	.	S	Bend	trans	-162.3	72.1	173.7	-124.5	-18.2	0	0	0	112.2
448	G	43	Very low	68.1	Low	64 Å²	64	73.2 Å²	73.2	66%	0.66	40%	0.403	S	S	*	.			trans	-149.7	145.5	-179.3	0	0	0	0	0	113
449	Q	53.3	Low	68.5	Low	157 Å²	157	72.2 Å²	72.2	73%	0.734	39%	0.393	S	S	*	.			trans	-69.6	133.5	178.3	-179.7	174.9	-44.4	0	0	110.9	C451 S527	Q449-C451 PolarHBondContact O-N 2.81Å; Q449-C451 PolarHBondContact O-SG 2.87Å; Q449-S527 PolarHBondContact NE2-OG 2.83Å
450	D	72.3	Confident	69.1	Low	63 Å²	63	72 Å²	72	34%	0.337	39%	0.393	S	S	.	.			trans	-59.9	108	179.9	-176.4	28.3	0	0	0	111	Y459	D450-Y459 WeakPolarHBondContact OD1-CE2 3.36Å; D450-Y459 PolarHBondContact OD1-OH 2.9Å; D450-Y459 PolarHBondContact OD2-OH 2.86Å
451	C	79.2	Confident	69.4	Low	40 Å²	40	71.8 Å²	71.8	27%	0.27	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	156.1	-170.7	71.7	0	0	0	0	112.1	Q449 S527 C529	Q449-C451 PolarHBondContact O-N 2.81Å; Q449-C451 PolarHBondContact O-SG 2.87Å; C451-S527 CarbonylContact C-O 3.26Å; C451-S527 WeakPolarHBondContact CA-O 3.43Å; C451-S527 WeakPolarHBondContact CB-O 3.29Å; C451-C529 VanDerWaalsContact C-SG 3.51Å; C451-C529 HydrophobicContact CB-CB 3.96Å; C451-C529 WeakPolarHBondContact CB-SG 3.44Å; C451-C529 WeakPolarHBondContact SG-CA 3.34Å; C451-C529 WeakPolarHBondContact SG-CB 3.34Å; C451-C529 CovalentContact SG-SG 2.04Å; C451-C529 PolarHBondContact SG-SG 3.18Å
452	Y	79.5	Confident	70.3	Confident	23 Å²	23	73.8 Å²	73.8	9%	0.09	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	154.3	173.2	74	-98.6	0	0	0	112.4	G454 P510 I526 S527 R528 C529	Y452-G454 WeakPolarHBondContact CE2-O 3.08Å; Y452-P510 VanDerWaalsContact CD1-CD 3.45Å; Y452-P510 HydrophobicContact CD1-CG 4.02Å; Y452-P510 HydrophobicContact CG-CG 4.19Å; Y452-I526 HydrophobicContact CD1-CB 4.01Å; Y452-I526 HydrophobicContact CD1-CG2 3.8Å; Y452-I526 VanDerWaalsContact CE1-O 3.3Å; Y452-I526 WeakPolarHBondContact CE1-O 3.34Å; Y452-S527 PolarHBondContact N-O 3.34Å; Y452-R528 HydrophobicContact CD2-CG 4.19Å; Y452-R528 HydrophobicContact CE1-CG 4.25Å; Y452-R528 HydrophobicContact CE2-CG 3.58Å; Y452-R528 VanDerWaalsContact O-CA 3.31Å; Y452-R528 WeakPolarHBondContact O-CA 3.33Å; Y452-R528 PolarHBondContact OH-NE 3.07Å; Y452-C529 PolarHBondContact O-N 3.28Å
453	R	80.7	Confident	71.1	Confident	181 Å²	181	73.2 Å²	73.2	68%	0.683	40%	0.397	S	S	*	.			trans	-106.4	148.7	172.5	-61.4	-173.8	-173.4	-176.9	3.4	111.3	N455 G456 C529 D532	R453-N455 PolarHBondContact O-N 3.07Å; R453-G456 PolarHBondContact O-N 3.01Å; R453-C529 HydrophobicContact CG-CB 4.12Å; R453-D532 WeakPolarHBondContact CA-OD2 3.32Å; R453-D532 WeakPolarHBondContact CB-OD2 3.41Å
454	G	79	Confident	72.4	Confident	24 Å²	24	73.7 Å²	73.7	25%	0.247	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	-115.2	-177.9	0	0	0	0	0	112.8	Y452 R528 D532	Y452-G454 WeakPolarHBondContact CE2-O 3.08Å; G454-R528 PolarHBondContact O-NH2 3.08Å; G454-D532 PolarHBondContact N-OD2 3.2Å
455	N	76.4	Confident	73.8	Confident	39 Å²	39	74.4 Å²	74.4	21%	0.209	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	2.3	171.6	72	-15.3	0	0	0	113.5	R453 K457 N502 D505 G509	R453-N455 PolarHBondContact O-N 3.07Å; N455-K457 VanDerWaalsContact OD1-CB 3.29Å; N455-K457 WeakPolarHBondContact OD1-CB 3.26Å; N455-K457 PolarHBondContact OD1-N 3.3Å; N455-K457 VanDerWaalsContact OD1-N 3.12Å; N455-N502 PolarHBondContact O-ND2 2.66Å; N455-D505 PolarHBondContact ND2-OD1 2.85Å; N455-G509 WeakPolarHBondContact O-CA 3.35Å
456	G	82.3	Confident	75.4	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.01	37%	0.37	C	S	.	.	S	Bend	trans	75.7	16.6	-179	0	0	0	0	0	115.6	R453 N458 Y459	R453-G456 PolarHBondContact O-N 3.01Å; G456-N458 PolarHBondContact O-N 2.81Å; G456-Y459 VanDerWaalsContact O-CB 3.23Å; G456-Y459 WeakPolarHBondContact O-CB 3.28Å; G456-Y459 PolarHBondContact O-N 3.42Å
457	K	82.1	Confident	77.4	Confident	94 Å²	94	67 Å²	67	41%	0.409	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-33.2	172.9	-172.3	-176.9	-149	145.2	0	114.2	N455 D505	N455-K457 VanDerWaalsContact OD1-CB 3.29Å; N455-K457 WeakPolarHBondContact OD1-CB 3.26Å; N455-K457 PolarHBondContact OD1-N 3.3Å; N455-K457 VanDerWaalsContact OD1-N 3.12Å; K457-D505 WeakPolarHBondContact CD-OD1 3.46Å; K457-D505 VanDerWaalsContact CE-OD1 3.26Å; K457-D505 WeakPolarHBondContact CE-OD1 2.87Å; K457-D505 IonicContact NZ-OD1 2.75Å; K457-D505 PolarHBondContact NZ-OD1 3.01Å; K457-D505 IonicContact NZ-OD2 3.83Å; K457-D505 PolarHBondContact NZ-OD2 3.21Å
458	N	79.8	Confident	78.7	Confident	74 Å²	74	62.5 Å²	62.5	40%	0.396	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	17	176.8	-63.8	-28.5	0	0	0	112.7	E421 G456 M460 K494	E421-N458 PolarHBondContact OE2-ND2 3.02Å; G456-N458 PolarHBondContact O-N 2.81Å; N458-M460 PolarHBondContact O-N 3.2Å; N458-K494 PolarHBondContact OD1-NZ 3.17Å
459	Y	83.4	Confident	80.5	Confident	15 Å²	15	61.3 Å²	61.3	6%	0.059	32%	0.32	C	S	.	.			trans	-70.4	123.6	173.4	173.4	-93.4	0	0	0	110.2	D450 G456 G461 C500 R501 P510 I526	D450-Y459 WeakPolarHBondContact OD1-CE2 3.36Å; D450-Y459 PolarHBondContact OD1-OH 2.9Å; D450-Y459 PolarHBondContact OD2-OH 2.86Å; G456-Y459 VanDerWaalsContact O-CB 3.23Å; G456-Y459 WeakPolarHBondContact O-CB 3.28Å; G456-Y459 PolarHBondContact O-N 3.42Å; Y459-G461 WeakPolarHBondContact OH-CA 3.46Å; Y459-C500 VanDerWaalsContact CD1-O 3.23Å; Y459-C500 WeakPolarHBondContact CD1-O 3.36Å; Y459-C500 HydrophobicContact CE1-CB 4.24Å; Y459-C500 VanDerWaalsContact CE1-O 3.32Å; Y459-C500 WeakPolarHBondContact CE1-O 3.49Å; Y459-R501 VanDerWaalsContact O-CD 3.24Å; Y459-R501 WeakPolarHBondContact O-CD 3.32Å; Y459-P510 HydrophobicContact CD1-CB 4.13Å; Y459-P510 HydrophobicContact CD1-CG 3.91Å; Y459-P510 HydrophobicContact CG-CG 3.94Å; Y459-I526 HydrophobicContact CD1-CD1 4.11Å; Y459-I526 HydrophobicContact CD2-CG2 4.47Å; Y459-I526 HydrophobicContact CE1-CD1 3.52Å; Y459-I526 HydrophobicContact CE2-CD1 4.15Å; Y459-I526 HydrophobicContact CE2-CG2 3.92Å
460	M	83.6	Confident	81.9	Confident	74 Å²	74	56 Å²	56	37%	0.365	30%	0.296	S	S	.	.			trans	-124.1	11.8	-175.1	-68.9	-63.4	-70.2	0	0	113.7	N458 K494 R501	N458-M460 PolarHBondContact O-N 3.2Å; M460-K494 HydrophobicContact SD-CB 4.07Å; M460-K494 HydrophobicContact SD-CG 3.96Å; M460-R501 PolarHBondContact O-NH2 2.77Å
461	G	83.6	Confident	82.8	Confident	10 Å²	10	57.8 Å²	57.8	10%	0.103	31%	0.309	C	S	.	.			trans	-62.7	172.4	-179.4	0	0	0	0	0	114.3	Y459 R501	Y459-G461 WeakPolarHBondContact OH-CA 3.46Å; G461-R501 PolarHBondContact O-NH1 2.89Å; G461-R501 PolarHBondContact O-NH2 3.43Å
462	N	87.3	Confident	83.5	Confident	119 Å²	119	56.2 Å²	56.2	64%	0.636	30%	0.299	S	S	*	.			trans	-100.1	15.4	-169.8	66.4	-9.5	0	0	0	114.5	S464 Y499	N462-S464 PolarHBondContact O-N 3.3Å; N462-Y499 VanDerWaalsContact CA-CD1 3.48Å; N462-Y499 HydrophobicContact CB-CD1 4.21Å; N462-Y499 HydrophobicContact CB-CE1 3.88Å; N462-Y499 WeakPolarHBondContact O-CD1 3.36Å; N462-Y499 WeakPolarHBondContact O-CE1 3.39Å
463	L	87	Confident	84	Confident	41 Å²	41	56.3 Å²	56.3	22%	0.215	30%	0.303	C	S	.	.			trans	-69.7	130.8	174.6	-169.8	64.2	0	0	0	111.1	Y499 C500 C524 P525 I526	L463-Y499 CarbonylContact O-C 3.53Å; L463-Y499 WeakPolarHBondContact O-CA 3Å; L463-C500 PolarHBondContact O-N 3.28Å; L463-C500 PolarHBondContact O-SG 3.49Å; L463-C524 HydrophobicContact CD2-CB 4.36Å; L463-P525 HydrophobicContact CD2-CG 4.04Å; L463-I526 HydrophobicContact CD2-CD1 4.19Å; L463-I526 HydrophobicContact CD2-CG1 3.49Å; L463-I526 VanDerWaalsContact CD2-CG1 3.49Å
464	S	90.4	Very high	84.4	Confident	39 Å²	39	50.9 Å²	50.9	27%	0.273	29%	0.286	S	S	.	.			trans	-128.6	32.4	-178.3	57.6	0	0	0	0	112.8	N462 C472 N498	N462-S464 PolarHBondContact O-N 3.3Å; S464-C472 WeakPolarHBondContact O-CB 3.23Å; S464-C472 PolarHBondContact O-N 2.02Å; S464-C472 PolarHBondContact O-SG 2.95Å; S464-C472 VanDerWaalsContact O-SG 3.35Å; S464-N498 WeakPolarHBondContact CB-OD1 3.09Å
465	Q	87.4	Confident	84.8	Confident	93 Å²	93	49.8 Å²	49.8	44%	0.435	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-134.5	139.2	179.2	-165.2	178.3	30.7	0	0	111.7	G469 L470 P525	Q465-G469 PolarHBondContact NE2-O 2.02Å; Q465-L470 CarbonylContact C-O 3.35Å; Q465-L470 WeakPolarHBondContact CA-O 3.31Å; Q465-P525 WeakPolarHBondContact O-CD 3.36Å
466	T	85.8	Confident	85.2	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.012	30%	0.295	C	S	.	.			trans	-81.4	164.6	175.4	84.1	0	0	0	0	112.3	S468 G469 L470 C512 T514 D522 Y523	T466-S468 PolarHBondContact O-N 2.76Å; T466-S468 VanDerWaalsContact O-N 3.15Å; T466-S468 PolarHBondContact OG1-N 3.12Å; T466-G469 WeakPolarHBondContact O-CA 3.48Å; T466-G469 PolarHBondContact O-N 2.9Å; T466-L470 HydrophobicContact CG2-CB 4.35Å; T466-L470 PolarHBondContact N-O 2.87Å; T466-L470 PolarHBondContact OG1-N 3.35Å; T466-C512 WeakPolarHBondContact CG2-SG 3.21Å; T466-T514 HydrophobicContact CG2-CG2 3.7Å; T466-D522 WeakPolarHBondContact CB-OD2 3.43Å; T466-D522 HydrophobicContact CG2-CB 3.92Å; T466-D522 PolarHBondContact OG1-OD2 2.76Å; T466-D522 VanDerWaalsContact OG1-OD2 3.06Å; T466-Y523 CarbonylContact C-O 3.52Å; T466-Y523 WeakPolarHBondContact CA-O 3.02Å; T466-Y523 WeakPolarHBondContact CB-O 3.28Å
467	R	82.6	Confident	85.3	Confident	91 Å²	91	61.3 Å²	61.3	34%	0.343	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-19.2	173.8	69.5	-175.6	172.5	151.2	6.7	113.2	G469 D522 Y523 P525 Y632 G633	R467-G469 VanDerWaalsContact C-N 3.26Å; R467-D522 WeakPolarHBondContact CG-OD2 3.45Å; R467-D522 IonicContact CZ-OD1 3.22Å; R467-D522 VanDerWaalsContact CZ-OD1 3.27Å; R467-D522 IonicContact NE-OD1 2.74Å; R467-D522 PolarHBondContact NE-OD1 2.83Å; R467-D522 IonicContact NE-OD2 3.69Å; R467-D522 IonicContact NH2-OD1 2.79Å; R467-D522 PolarHBondContact NH2-OD1 3.06Å; R467-Y523 WeakPolarHBondContact CG-O 3.31Å; R467-Y523 PolarHBondContact N-O 3.47Å; R467-P525 HydrophobicContact CB-CB 4.2Å; R467-Y632 PolarHBondContact NH2-O 2.94Å; R467-G633 PolarHBondContact NH1-O 2.86Å
468	S	75	Confident	85.3	Confident	68 Å²	68	58.1 Å²	58.1	48%	0.476	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	4.5	171.3	-55.3	0	0	0	0	113.4	T466 L470 D522	T466-S468 PolarHBondContact O-N 2.76Å; T466-S468 VanDerWaalsContact O-N 3.15Å; T466-S468 PolarHBondContact OG1-N 3.12Å; S468-L470 VanDerWaalsContact C-N 3.31Å; S468-L470 PolarHBondContact O-N 2.88Å; S468-D522 VanDerWaalsContact CB-OD2 3.24Å; S468-D522 WeakPolarHBondContact CB-OD2 3.01Å; S468-D522 PolarHBondContact N-OD2 2.86Å; S468-D522 PolarHBondContact OG-OD2 2.82Å
469	G	80.6	Confident	85.4	Confident	40 Å²	40	57 Å²	57	41%	0.412	31%	0.308	S	S	.	.	S	Bend	trans	79.9	3.7	180	0	0	0	0	0	115	Q465 T466 R467	Q465-G469 PolarHBondContact NE2-O 2.02Å; T466-G469 WeakPolarHBondContact O-CA 3.48Å; T466-G469 PolarHBondContact O-N 2.9Å; R467-G469 VanDerWaalsContact C-N 3.26Å
470	L	82	Confident	85.2	Confident	45 Å²	45	63.6 Å²	63.6	24%	0.236	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-78.6	136.7	-178.1	-63.2	176.7	0	0	0	111.1	Q465 T466 S468 T514 N516 I519	Q465-L470 CarbonylContact C-O 3.35Å; Q465-L470 WeakPolarHBondContact CA-O 3.31Å; T466-L470 HydrophobicContact CG2-CB 4.35Å; T466-L470 PolarHBondContact N-O 2.87Å; T466-L470 PolarHBondContact OG1-N 3.35Å; S468-L470 VanDerWaalsContact C-N 3.31Å; S468-L470 PolarHBondContact O-N 2.88Å; L470-T514 HydrophobicContact CB-CG2 4.11Å; L470-T514 HydrophobicContact CD1-CG2 4.02Å; L470-N516 HydrophobicContact CD1-CB 4.05Å; L470-I519 HydrophobicContact CD1-CB 3.83Å; L470-I519 HydrophobicContact CD1-CD1 4.1Å; L470-I519 HydrophobicContact CD1-CG1 4.48Å; L470-I519 HydrophobicContact CD1-CG2 3.91Å
471	T	91.4	Very high	84.9	Confident	100 Å²	100	61.2 Å²	61.2	61%	0.613	33%	0.328	S	S	*	.	B	Isolated β-bridge	trans	-65.4	134.4	169.1	-45.7	0	0	0	0	110.1
472	C	93.6	Very high	84.7	Confident	8 Å²	8	60.8 Å²	60.8	5%	0.054	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-66.1	149	177.2	-65.7	0	0	0	0	112.3	S464 N498 C512 Y513	S464-C472 WeakPolarHBondContact O-CB 3.23Å; S464-C472 PolarHBondContact O-N 2.02Å; S464-C472 PolarHBondContact O-SG 2.95Å; S464-C472 VanDerWaalsContact O-SG 3.35Å; C472-N498 HydrophobicContact CB-CB 3.9Å; C472-N498 WeakPolarHBondContact CB-O 3.37Å; C472-N498 PolarHBondContact O-ND2 3.34Å; C472-N498 PolarHBondContact SG-O 3.36Å; C472-C512 VanDerWaalsContact CA-SG 3.55Å; C472-C512 HydrophobicContact CB-CB 3.65Å; C472-C512 WeakPolarHBondContact CB-SG 3.33Å; C472-C512 WeakPolarHBondContact SG-CB 3.19Å; C472-C512 CovalentContact SG-SG 2.02Å; C472-C512 PolarHBondContact SG-SG 2.78Å; C472-Y513 CarbonylContact C-O 3.55Å; C472-Y513 VanDerWaalsContact CA-O 3.28Å; C472-Y513 WeakPolarHBondContact CA-O 3.38Å
473	S	90.6	Very high	84.3	Confident	24 Å²	24	59.4 Å²	59.4	17%	0.168	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-92.9	151.4	173.1	-167.7	0	0	0	0	110.5	W475 N478 N498 Y513	S473-W475 PolarHBondContact O-N 3.4Å; S473-N478 PolarHBondContact OG-ND2 2.79Å; S473-N498 WeakPolarHBondContact O-CB 3.5Å; S473-Y513 PolarHBondContact N-O 2.78Å
474	M	88.5	Confident	83.6	Confident	68 Å²	68	62.6 Å²	62.6	34%	0.335	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-61.8	130.7	179.5	-59.5	-70	-72.6	0	0	110.7	N476 K477 N478 E497 N498	M474-N476 VanDerWaalsContact C-N 3.3Å; M474-N476 VanDerWaalsContact CB-OD1 3.28Å; M474-N476 WeakPolarHBondContact CB-OD1 3.29Å; M474-N476 PolarHBondContact O-N 3.4Å; M474-K477 HydrophobicContact CB-CD 4.34Å; M474-K477 HydrophobicContact CB-CG 4.31Å; M474-K477 PolarHBondContact O-N 3.23Å; M474-K477 VanDerWaalsContact O-N 3.17Å; M474-N478 PolarHBondContact O-ND2 2.69Å; M474-E497 WeakPolarHBondContact CA-O 3.41Å; M474-E497 HydrophobicContact CE-CB 4.31Å; M474-E497 VanDerWaalsContact SD-C 3.6Å; M474-E497 HydrophobicContact SD-CB 4.4Å; M474-N498 HydrophobicContact SD-CB 4.06Å
475	W	87.6	Confident	82.6	Confident	1 Å²	1	62.3 Å²	62.3	0%	0.004	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-60.9	-38.4	-175.1	-71.7	99.1	0	0	0	113.3	S473 K477 N478 M479 L495 E497 Y499 R501 P503 W511 C512 Y513	S473-W475 PolarHBondContact O-N 3.4Å; W475-K477 PolarHBondContact O-N 3.32Å; W475-K477 VanDerWaalsContact O-N 3.13Å; W475-N478 PolarHBondContact O-N 2.89Å; W475-M479 PolarHBondContact O-N 2.84Å; W475-L495 HydrophobicContact CB-CB 3.75Å; W475-L495 WeakPolarHBondContact CB-O 3.2Å; W475-L495 HydrophobicContact CD2-CB 4.25Å; W475-L495 HydrophobicContact CD2-CD1 4.49Å; W475-L495 HydrophobicContact CD2-CD2 3.72Å; W475-L495 HydrophobicContact CD2-CG 4.36Å; W475-L495 HydrophobicContact CE3-CD1 4.2Å; W475-L495 HydrophobicContact CE3-CD2 3.84Å; W475-L495 HydrophobicContact CE3-CG 4.48Å; W475-L495 HydrophobicContact CG-CB 3.77Å; W475-L495 HydrophobicContact CG-CD2 4.15Å; W475-L495 HydrophobicContact CG-CG 4.39Å; W475-L495 HydrophobicContact CH2-CD2 4.37Å; W475-L495 HydrophobicContact CZ2-CD2 4.27Å; W475-L495 HydrophobicContact CZ3-CD2 4.16Å; W475-E497 PolarHBondContact N-O 2.86Å; W475-E497 VanDerWaalsContact N-O 3.1Å; W475-Y499 PolarHBondContact NE1-O 3.36Å; W475-R501 HydrophobicContact CH2-CB 4.39Å; W475-R501 HydrophobicContact CZ2-CB 3.78Å; W475-R501 HydrophobicContact CZ2-CG 4.29Å; W475-P503 HydrophobicContact CH2-CG 4.34Å; W475-P503 HydrophobicContact CZ3-CG 4.12Å; W475-W511 HydrophobicContact CH2-CD2 4.1Å; W475-W511 AromaticContact CH2-CE3 3.93Å; W475-W511 HydrophobicContact CH2-CE3 3.93Å; W475-W511 HydrophobicContact CH2-CH2 4.14Å; W475-W511 HydrophobicContact CH2-CZ2 4.27Å; W475-W511 AromaticContact CH2-CZ3 3.95Å; W475-W511 HydrophobicContact CH2-CZ3 3.95Å; W475-W511 VanDerWaalsContact CZ2-O 3.31Å; W475-W511 WeakPolarHBondContact CZ2-O 3.29Å; W475-W511 HydrophobicContact CZ3-CE3 4.34Å; W475-W511 AromaticContact CZ3-CH2 3.82Å; W475-W511 HydrophobicContact CZ3-CH2 3.82Å; W475-W511 HydrophobicContact CZ3-CZ2 4.2Å; W475-W511 AromaticContact CZ3-CZ3 3.88Å; W475-W511 HydrophobicContact CZ3-CZ3 3.88Å; W475-C512 HydrophobicContact CZ2-CB 4.07Å; W475-Y513 HydrophobicContact CD2-CD2 4.48Å; W475-Y513 AromaticContact CE3-CD2 3.61Å; W475-Y513 HydrophobicContact CE3-CD2 3.61Å; W475-Y513 AromaticContact CE3-CE2 3.78Å; W475-Y513 HydrophobicContact CE3-CE2 3.78Å; W475-Y513 HydrophobicContact CH2-CD2 4.4Å; W475-Y513 AromaticContact CZ3-CD2 3.57Å; W475-Y513 HydrophobicContact CZ3-CD2 3.57Å; W475-Y513 AromaticContact CZ3-CE2 3.59Å; W475-Y513 HydrophobicContact CZ3-CE2 3.59Å
476	N	84	Confident	81.9	Confident	119 Å²	119	58.4 Å²	58.4	64%	0.636	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-57.6	-27.7	179	63.9	-0.8	0	0	0	113.9	M474 N478	M474-N476 VanDerWaalsContact C-N 3.3Å; M474-N476 VanDerWaalsContact CB-OD1 3.28Å; M474-N476 WeakPolarHBondContact CB-OD1 3.29Å; M474-N476 PolarHBondContact O-N 3.4Å; N476-N478 VanDerWaalsContact C-N 3.27Å; N476-N478 PolarHBondContact O-N 3.46Å
477	K	84.8	Confident	80.7	Confident	163 Å²	163	68.2 Å²	68.2	71%	0.709	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-75.8	-11.5	175.5	-63.7	-178	-178.2	-179.3	0	113.9	M474 W475	M474-K477 HydrophobicContact CB-CD 4.34Å; M474-K477 HydrophobicContact CB-CG 4.31Å; M474-K477 PolarHBondContact O-N 3.23Å; M474-K477 VanDerWaalsContact O-N 3.17Å; W475-K477 PolarHBondContact O-N 3.32Å; W475-K477 VanDerWaalsContact O-N 3.13Å
478	N	82.8	Confident	80.1	Confident	27 Å²	27	69.9 Å²	69.9	14%	0.144	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-124	7.5	-169.3	-59.9	-82.8	0	0	0	113.1	S473 M474 W475 N476 E480 D481 L482 Y513	S473-N478 PolarHBondContact OG-ND2 2.79Å; M474-N478 PolarHBondContact O-ND2 2.69Å; W475-N478 PolarHBondContact O-N 2.89Å; N476-N478 VanDerWaalsContact C-N 3.27Å; N476-N478 PolarHBondContact O-N 3.46Å; N478-E480 VanDerWaalsContact C-N 3.33Å; N478-E480 PolarHBondContact O-N 2.93Å; N478-D481 WeakPolarHBondContact O-CB 3.41Å; N478-D481 PolarHBondContact O-N 3.37Å; N478-L482 PolarHBondContact O-N 3.5Å; N478-Y513 HydrophobicContact CB-CD1 3.68Å; N478-Y513 HydrophobicContact CB-CD2 3.45Å; N478-Y513 VanDerWaalsContact CB-CD2 3.45Å; N478-Y513 HydrophobicContact CB-CE1 3.88Å; N478-Y513 HydrophobicContact CB-CE2 3.65Å; N478-Y513 HydrophobicContact CB-CG 3.46Å; N478-Y513 VanDerWaalsContact CB-CG 3.46Å; N478-Y513 VanDerWaalsContact CG-CG 3.46Å
479	M	81	Confident	79.9	Confident	49 Å²	49	74.8 Å²	74.8	24%	0.241	36%	0.363	C	S	.	.	H	α-helix	trans	-59.7	-35.7	-175.3	-81.9	-58.7	-51.3	0	0	114.3	W475 L482 H483 P490 L495	W475-M479 PolarHBondContact O-N 2.84Å; M479-L482 HydrophobicContact CE-CD2 4.32Å; M479-L482 WeakPolarHBondContact O-CB 3.48Å; M479-L482 PolarHBondContact O-N 3.15Å; M479-L482 HydrophobicContact SD-CD2 3.87Å; M479-H483 WeakPolarHBondContact CE-NE2 2.99Å; M479-H483 PolarHBondContact O-N 2.82Å; M479-P490 HydrophobicContact CE-CG 3.77Å; M479-L495 HydrophobicContact SD-CD1 3.92Å
480	E	79.6	Confident	79.2	Confident	155 Å²	155	73.3 Å²	73.3	72%	0.724	35%	0.347	S	S	*	.	H	α-helix	trans	-63.5	-41.9	173.1	-65.3	-171.9	174.4	0	0	112.1	N478 L482 H483 R484	N478-E480 VanDerWaalsContact C-N 3.33Å; N478-E480 PolarHBondContact O-N 2.93Å; E480-L482 PolarHBondContact O-N 3.42Å; E480-H483 PolarHBondContact O-N 3.4Å; E480-R484 WeakPolarHBondContact O-CG 3.36Å; E480-R484 PolarHBondContact O-N 2.02Å; E480-R484 VanDerWaalsContact O-N 3.14Å
481	D	77.1	Confident	78.7	Confident	24 Å²	24	73.3 Å²	73.3	13%	0.128	35%	0.347	C	S	.	.	H	α-helix	trans	-66.7	-27.2	177.4	-86.6	48.8	0	0	0	111.5	N478 R484 H485 Y513 K784	N478-D481 WeakPolarHBondContact O-CB 3.41Å; N478-D481 PolarHBondContact O-N 3.37Å; D481-R484 IonicContact OD1-CZ 2.66Å; D481-R484 IonicContact OD1-NH1 2.66Å; D481-R484 PolarHBondContact OD1-NH1 2.96Å; D481-R484 IonicContact OD1-NH2 2.75Å; D481-R484 PolarHBondContact OD1-NH2 3.42Å; D481-R484 IonicContact OD2-CZ 2.91Å; D481-R484 IonicContact OD2-NH2 3.87Å; D481-R484 PolarHBondContact OD2-NH2 2.91Å; D481-H485 PolarHBondContact O-CE1 3.45Å; D481-H485 PolarHBondContact O-ND1 2.92Å; D481-Y513 VanDerWaalsContact C-OH 3.24Å; D481-Y513 HydrophobicContact CB-CE1 3.95Å; D481-Y513 PolarHBondContact O-OH 2.9Å; D481-K784 IonicContact OD1-NZ 3.36Å; D481-K784 IonicContact OD2-NZ 2.74Å
482	L	79.6	Confident	77.6	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-73.3	-51.4	174.7	-164.4	61.1	0	0	0	111.1	N478 M479 E480 R484 H485 I486 P490 L495 P503 W511 Y513	N478-L482 PolarHBondContact O-N 3.5Å; M479-L482 HydrophobicContact CE-CD2 4.32Å; M479-L482 WeakPolarHBondContact O-CB 3.48Å; M479-L482 PolarHBondContact O-N 3.15Å; M479-L482 HydrophobicContact SD-CD2 3.87Å; E480-L482 PolarHBondContact O-N 3.42Å; L482-R484 PolarHBondContact O-N 2.86Å; L482-R484 VanDerWaalsContact O-N 3.14Å; L482-H485 PolarHBondContact O-N 3.13Å; L482-H485 VanDerWaalsContact O-N 3.08Å; L482-H485 PolarHBondContact O-ND1 3.09Å; L482-I486 HydrophobicContact CD1-CD1 3.59Å; L482-I486 HydrophobicContact CD1-CG1 4.33Å; L482-I486 HydrophobicContact CD2-CD1 4.4Å; L482-I486 HydrophobicContact CG-CD1 3.67Å; L482-I486 HydrophobicContact CG-CG1 4.46Å; L482-I486 PolarHBondContact O-N 3.48Å; L482-P490 HydrophobicContact CD2-CB 4.2Å; L482-P490 HydrophobicContact CD2-CG 3.75Å; L482-P490 HydrophobicContact CG-CG 4.37Å; L482-L495 HydrophobicContact CD2-CD1 3.55Å; L482-P503 HydrophobicContact CD1-CG 3.96Å; L482-P503 HydrophobicContact CD2-CB 4.39Å; L482-P503 HydrophobicContact CD2-CG 4.17Å; L482-W511 HydrophobicContact CD1-CH2 3.67Å; L482-W511 HydrophobicContact CD1-CZ2 3.85Å; L482-Y513 VanDerWaalsContact CA-OH 3.25Å; L482-Y513 WeakPolarHBondContact CA-OH 3.23Å; L482-Y513 HydrophobicContact CB-CE2 4.44Å; L482-Y513 HydrophobicContact CD1-CE2 4.21Å; L482-Y513 PolarHBondContact N-OH 3.2Å
483	H	79.1	Confident	76.2	Confident	90 Å²	90	71.5 Å²	71.5	42%	0.417	34%	0.342	S	S	.	.	H	α-helix	trans	-60.8	-22.4	176.5	-69.1	171.1	0	0	0	114.1	M479 E480 H485 P490	M479-H483 WeakPolarHBondContact CE-NE2 2.99Å; M479-H483 PolarHBondContact O-N 2.82Å; E480-H483 PolarHBondContact O-N 3.4Å; H483-H485 PolarHBondContact O-N 3.33Å; H483-P490 VanDerWaalsContact NE2-CD 3.33Å; H483-P490 WeakPolarHBondContact NE2-CD 3.37Å
484	R	72.5	Confident	75.5	Confident	109 Å²	109	72.7 Å²	72.7	41%	0.411	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-7.3	174.5	-71.9	-163.2	-44.8	-84.2	1.3	115.1	E480 D481 L482 K784	E480-R484 WeakPolarHBondContact O-CG 3.36Å; E480-R484 PolarHBondContact O-N 2.02Å; E480-R484 VanDerWaalsContact O-N 3.14Å; D481-R484 IonicContact OD1-CZ 2.66Å; D481-R484 IonicContact OD1-NH1 2.66Å; D481-R484 PolarHBondContact OD1-NH1 2.96Å; D481-R484 IonicContact OD1-NH2 2.75Å; D481-R484 PolarHBondContact OD1-NH2 3.42Å; D481-R484 IonicContact OD2-CZ 2.91Å; D481-R484 IonicContact OD2-NH2 3.87Å; D481-R484 PolarHBondContact OD2-NH2 2.91Å; L482-R484 PolarHBondContact O-N 2.86Å; L482-R484 VanDerWaalsContact O-N 3.14Å; R484-K784 VanDerWaalsContact NH2-CE 3.3Å
485	H	69.1	Low	75.1	Confident	32 Å²	32	70.1 Å²	70.1	15%	0.148	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.1	4.3	178.8	70.6	-85	0	0	0	115.8	D481 L482 H483 K778 L781	D481-H485 PolarHBondContact O-CE1 3.45Å; D481-H485 PolarHBondContact O-ND1 2.92Å; L482-H485 PolarHBondContact O-N 3.13Å; L482-H485 VanDerWaalsContact O-N 3.08Å; L482-H485 PolarHBondContact O-ND1 3.09Å; H483-H485 PolarHBondContact O-N 3.33Å; H485-K778 WeakPolarHBondContact NE2-CE 3.47Å; H485-L781 HydrophobicContact CB-CD1 4.03Å
486	I	72.9	Confident	74.5	Confident	12 Å²	12	74.1 Å²	74.1	6%	0.062	35%	0.353	C	S	.	.			trans	-115	139.7	171.4	-50.6	-175.9	0	0	0	109.1	L482 W488 P490 P503 D504	L482-I486 HydrophobicContact CD1-CD1 3.59Å; L482-I486 HydrophobicContact CD1-CG1 4.33Å; L482-I486 HydrophobicContact CD2-CD1 4.4Å; L482-I486 HydrophobicContact CG-CD1 3.67Å; L482-I486 HydrophobicContact CG-CG1 4.46Å; L482-I486 PolarHBondContact O-N 3.48Å; I486-W488 HydrophobicContact CG2-CD2 3.32Å; I486-W488 HydrophobicContact CG2-CE3 3.82Å; I486-W488 HydrophobicContact CG2-CG 3.67Å; I486-W488 HydrophobicContact CG2-CH2 4.12Å; I486-W488 HydrophobicContact CG2-CZ2 3.67Å; I486-W488 HydrophobicContact CG2-CZ3 4.18Å; I486-W488 WeakPolarHBondContact CG2-O 2.95Å; I486-P490 HydrophobicContact CD1-CB 4.4Å; I486-P503 HydrophobicContact CD1-CB 4.39Å; I486-D504 HydrophobicContact CD1-CB 3.6Å; I486-D504 HydrophobicContact CG1-CB 3.71Å
487	F	59.6	Low	74.6	Confident	207 Å²	207	73.6 Å²	73.6	91%	0.908	35%	0.347	S	S	*	.	S	Bend	trans	-94.9	8.9	179.5	-65.4	-77.8	0	0	0	114.1
488	W	71.7	Confident	74.8	Confident	126 Å²	126	67.2 Å²	67.2	48%	0.477	32%	0.32	S	S	.	.	S	Bend	trans	-138.2	156.5	179.7	59.8	86.5	0	0	0	109.2	I486 P503 D505	I486-W488 HydrophobicContact CG2-CD2 3.32Å; I486-W488 HydrophobicContact CG2-CE3 3.82Å; I486-W488 HydrophobicContact CG2-CG 3.67Å; I486-W488 HydrophobicContact CG2-CH2 4.12Å; I486-W488 HydrophobicContact CG2-CZ2 3.67Å; I486-W488 HydrophobicContact CG2-CZ3 4.18Å; I486-W488 WeakPolarHBondContact CG2-O 2.95Å; W488-P503 PolarHBondContact NE1-O 3.15Å; W488-D505 HydrophobicContact CH2-CB 4.49Å; W488-D505 HydrophobicContact CZ2-CB 4.18Å
489	E	70.4	Confident	75.3	Confident	171 Å²	171	68.7 Å²	68.7	80%	0.799	32%	0.324	S	S	*	.			trans	-72.7	122.7	175.3	-165.3	160	-140.3	0	0	109.2
490	P	66.4	Low	75.8	Confident	10 Å²	10	66.3 Å²	66.3	7%	0.065	31%	0.313	C	S	.	.			trans	-80.1	147.4	-176.6	33.4	-34.5	0	0	0	111.1	M479 L482 H483 I486 A492 L495 P503	M479-P490 HydrophobicContact CE-CG 3.77Å; L482-P490 HydrophobicContact CD2-CB 4.2Å; L482-P490 HydrophobicContact CD2-CG 3.75Å; L482-P490 HydrophobicContact CG-CG 4.37Å; H483-P490 VanDerWaalsContact NE2-CD 3.33Å; H483-P490 WeakPolarHBondContact NE2-CD 3.37Å; I486-P490 HydrophobicContact CD1-CB 4.4Å; P490-A492 PolarHBondContact O-N 2.89Å; P490-L495 HydrophobicContact CB-CD1 4.46Å; P490-L495 HydrophobicContact CG-CD1 4.48Å; P490-P503 HydrophobicContact CB-CB 3.97Å
491	D	71.5	Confident	76.4	Confident	44 Å²	44	59.4 Å²	59.4	24%	0.235	28%	0.28	C	S	.	.			trans	-63.4	104.9	179.1	-175.8	-33.6	0	0	0	111.1	W381 S493 K494	W381-D491 HydrophobicContact CZ2-CB 4.4Å; W381-D491 VanDerWaalsContact CZ2-OD1 3.24Å; W381-D491 WeakPolarHBondContact CZ2-OD1 3.27Å; W381-D491 PolarHBondContact NE1-OD2 2.79Å; D491-S493 VanDerWaalsContact C-N 3.3Å; D491-S493 PolarHBondContact O-N 2.97Å; D491-S493 PolarHBondContact OD1-N 2.87Å; D491-S493 PolarHBondContact OD1-OG 3.43Å; D491-K494 HydrophobicContact CB-CB 4.43Å; D491-K494 HydrophobicContact CB-CD 4.07Å; D491-K494 HydrophobicContact CB-CG 4.11Å; D491-K494 PolarHBondContact O-N 3.36Å; D491-K494 PolarHBondContact OD1-N 2.71Å; D491-K494 VanDerWaalsContact OD2-CE 3.31Å; D491-K494 WeakPolarHBondContact OD2-CE 3.47Å
492	A	66.3	Low	77.1	Confident	58 Å²	58	58.5 Å²	58.5	48%	0.479	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-23.9	-174.3	0	0	0	0	0	113.9	W381 P490 L495	W381-A492 HydrophobicContact CH2-CB 4.23Å; W381-A492 HydrophobicContact CZ3-CB 4.18Å; P490-A492 PolarHBondContact O-N 2.89Å; A492-L495 PolarHBondContact O-N 2.71Å
493	S	65.8	Low	77.5	Confident	12 Å²	12	59.4 Å²	59.4	8%	0.084	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-33.9	173.8	65.9	0	0	0	0	113.1	W381 D491 L495 N496	W381-S493 WeakPolarHBondContact CB-OG 3.39Å; W381-S493 VanDerWaalsContact CD2-CB 3.43Å; D491-S493 VanDerWaalsContact C-N 3.3Å; D491-S493 PolarHBondContact O-N 2.97Å; D491-S493 PolarHBondContact OD1-N 2.87Å; D491-S493 PolarHBondContact OD1-OG 3.43Å; S493-L495 PolarHBondContact O-N 3.13Å; S493-N496 PolarHBondContact O-N 3.35Å; S493-N496 PolarHBondContact O-ND2 3.45Å; S493-N496 PolarHBondContact O-OD1 3.36Å
494	K	74.4	Confident	77.6	Confident	50 Å²	50	55.8 Å²	55.8	22%	0.217	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-31.9	178.8	-64.3	-173.9	-177.6	-175.4	0	108.8	N458 M460 D491 N496 R501	N458-K494 PolarHBondContact OD1-NZ 3.17Å; M460-K494 HydrophobicContact SD-CB 4.07Å; M460-K494 HydrophobicContact SD-CG 3.96Å; D491-K494 HydrophobicContact CB-CB 4.43Å; D491-K494 HydrophobicContact CB-CD 4.07Å; D491-K494 HydrophobicContact CB-CG 4.11Å; D491-K494 PolarHBondContact O-N 3.36Å; D491-K494 PolarHBondContact OD1-N 2.71Å; D491-K494 VanDerWaalsContact OD2-CE 3.31Å; D491-K494 WeakPolarHBondContact OD2-CE 3.47Å; K494-N496 PolarHBondContact O-N 3.4Å; K494-R501 WeakPolarHBondContact O-CD 3.44Å; K494-R501 VanDerWaalsContact O-CG 3.24Å; K494-R501 WeakPolarHBondContact O-CG 3.44Å; K494-R501 PolarHBondContact O-NE 2.89Å
495	L	81.8	Confident	77.9	Confident	14 Å²	14	52.9 Å²	52.9	7%	0.073	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	36.6	-179.6	-56.3	-172	0	0	0	114.8	W475 M479 L482 P490 A492 S493 R501 P503	W475-L495 HydrophobicContact CB-CB 3.75Å; W475-L495 WeakPolarHBondContact CB-O 3.2Å; W475-L495 HydrophobicContact CD2-CB 4.25Å; W475-L495 HydrophobicContact CD2-CD1 4.49Å; W475-L495 HydrophobicContact CD2-CD2 3.72Å; W475-L495 HydrophobicContact CD2-CG 4.36Å; W475-L495 HydrophobicContact CE3-CD1 4.2Å; W475-L495 HydrophobicContact CE3-CD2 3.84Å; W475-L495 HydrophobicContact CE3-CG 4.48Å; W475-L495 HydrophobicContact CG-CB 3.77Å; W475-L495 HydrophobicContact CG-CD2 4.15Å; W475-L495 HydrophobicContact CG-CG 4.39Å; W475-L495 HydrophobicContact CH2-CD2 4.37Å; W475-L495 HydrophobicContact CZ2-CD2 4.27Å; W475-L495 HydrophobicContact CZ3-CD2 4.16Å; M479-L495 HydrophobicContact SD-CD1 3.92Å; L482-L495 HydrophobicContact CD2-CD1 3.55Å; P490-L495 HydrophobicContact CB-CD1 4.46Å; P490-L495 HydrophobicContact CG-CD1 4.48Å; A492-L495 PolarHBondContact O-N 2.71Å; S493-L495 PolarHBondContact O-N 3.13Å; L495-R501 HydrophobicContact CD2-CB 3.9Å; L495-R501 HydrophobicContact CD2-CG 4.17Å; L495-P503 HydrophobicContact CD1-CB 4.45Å; L495-P503 HydrophobicContact CD2-CB 4.01Å; L495-P503 HydrophobicContact CD2-CG 3.98Å
496	N	73.4	Confident	78.6	Confident	85 Å²	85	51.4 Å²	51.4	46%	0.455	25%	0.251	S	S	.	.			trans	-64.6	139.6	175.6	-78.4	-18.1	0	0	0	112.8	S493 K494 N498 Y499	S493-N496 PolarHBondContact O-N 3.35Å; S493-N496 PolarHBondContact O-ND2 3.45Å; S493-N496 PolarHBondContact O-OD1 3.36Å; K494-N496 PolarHBondContact O-N 3.4Å; N496-N498 PolarHBondContact O-N 2.7Å; N496-Y499 WeakPolarHBondContact O-CD2 3.3Å; N496-Y499 PolarHBondContact O-N 3.05Å
497	E	86	Confident	79	Confident	108 Å²	108	51.6 Å²	51.6	51%	0.505	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	-120.7	178.5	-59	-177.9	-176.9	0	0	113.1	M474 W475 Y499	M474-E497 WeakPolarHBondContact CA-O 3.41Å; M474-E497 HydrophobicContact CE-CB 4.31Å; M474-E497 VanDerWaalsContact SD-C 3.6Å; M474-E497 HydrophobicContact SD-CB 4.4Å; W475-E497 PolarHBondContact N-O 2.86Å; W475-E497 VanDerWaalsContact N-O 3.1Å; E497-Y499 HydrophobicContact CB-CD2 3.98Å; E497-Y499 HydrophobicContact CB-CE2 3.71Å; E497-Y499 HydrophobicContact CG-CE2 4.01Å; E497-Y499 WeakPolarHBondContact OE2-CE2 3.31Å; E497-Y499 PolarHBondContact OE2-OH 3.09Å
498	N	90.8	Very high	80	Confident	28 Å²	28	43.2 Å²	43.2	15%	0.15	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.5	21.8	175	70.4	-19.7	0	0	0	112.2	S464 C472 S473 M474 N496	S464-N498 WeakPolarHBondContact CB-OD1 3.09Å; C472-N498 HydrophobicContact CB-CB 3.9Å; C472-N498 WeakPolarHBondContact CB-O 3.37Å; C472-N498 PolarHBondContact O-ND2 3.34Å; C472-N498 PolarHBondContact SG-O 3.36Å; S473-N498 WeakPolarHBondContact O-CB 3.5Å; M474-N498 HydrophobicContact SD-CB 4.06Å; N496-N498 PolarHBondContact O-N 2.7Å
499	Y	92.4	Very high	80.7	Confident	58 Å²	58	37.3 Å²	37.3	23%	0.227	20%	0.195	C	C	.	.			trans	-71.1	152.6	-175.9	-60.7	-60.2	0	0	0	112.9	N462 L463 W475 N496 E497 R501	N462-Y499 VanDerWaalsContact CA-CD1 3.48Å; N462-Y499 HydrophobicContact CB-CD1 4.21Å; N462-Y499 HydrophobicContact CB-CE1 3.88Å; N462-Y499 WeakPolarHBondContact O-CD1 3.36Å; N462-Y499 WeakPolarHBondContact O-CE1 3.39Å; L463-Y499 CarbonylContact O-C 3.53Å; L463-Y499 WeakPolarHBondContact O-CA 3Å; W475-Y499 PolarHBondContact NE1-O 3.36Å; N496-Y499 WeakPolarHBondContact O-CD2 3.3Å; N496-Y499 PolarHBondContact O-N 3.05Å; E497-Y499 HydrophobicContact CB-CD2 3.98Å; E497-Y499 HydrophobicContact CB-CE2 3.71Å; E497-Y499 HydrophobicContact CG-CE2 4.01Å; E497-Y499 WeakPolarHBondContact OE2-CE2 3.31Å; E497-Y499 PolarHBondContact OE2-OH 3.09Å; Y499-R501 PolarHBondContact O-N 2.86Å
500	C	92	Very high	81.8	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.158	C	C	.	.			trans	-64.2	127.5	177.6	-66.3	0	0	0	0	111.9	Y459 L463 P510 W511 C524 I526	Y459-C500 VanDerWaalsContact CD1-O 3.23Å; Y459-C500 WeakPolarHBondContact CD1-O 3.36Å; Y459-C500 HydrophobicContact CE1-CB 4.24Å; Y459-C500 VanDerWaalsContact CE1-O 3.32Å; Y459-C500 WeakPolarHBondContact CE1-O 3.49Å; L463-C500 PolarHBondContact O-N 3.28Å; L463-C500 PolarHBondContact O-SG 3.49Å; C500-P510 HydrophobicContact CB-CB 4.3Å; C500-W511 WeakPolarHBondContact CA-O 3.39Å; C500-C524 HydrophobicContact CB-CB 3.59Å; C500-C524 WeakPolarHBondContact CB-SG 3.45Å; C500-C524 WeakPolarHBondContact SG-CB 3.44Å; C500-C524 CovalentContact SG-SG 2.02Å; C500-C524 PolarHBondContact SG-SG 3.41Å; C500-I526 HydrophobicContact CB-CD1 3.83Å
501	R	92.6	Very high	83	Confident	10 Å²	10	28.8 Å²	28.8	4%	0.038	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-144.1	169.8	-175.1	-62.8	-64.9	178.3	-105.7	7.1	111.8	Y459 M460 G461 W475 K494 L495 Y499 P510 W511	Y459-R501 VanDerWaalsContact O-CD 3.24Å; Y459-R501 WeakPolarHBondContact O-CD 3.32Å; M460-R501 PolarHBondContact O-NH2 2.77Å; G461-R501 PolarHBondContact O-NH1 2.89Å; G461-R501 PolarHBondContact O-NH2 3.43Å; W475-R501 HydrophobicContact CH2-CB 4.39Å; W475-R501 HydrophobicContact CZ2-CB 3.78Å; W475-R501 HydrophobicContact CZ2-CG 4.29Å; K494-R501 WeakPolarHBondContact O-CD 3.44Å; K494-R501 VanDerWaalsContact O-CG 3.24Å; K494-R501 WeakPolarHBondContact O-CG 3.44Å; K494-R501 PolarHBondContact O-NE 2.89Å; L495-R501 HydrophobicContact CD2-CB 3.9Å; L495-R501 HydrophobicContact CD2-CG 4.17Å; Y499-R501 PolarHBondContact O-N 2.86Å; R501-P510 WeakPolarHBondContact O-CA 3.49Å; R501-W511 PolarHBondContact N-O 3.14Å; R501-W511 PolarHBondContact O-N 2.85Å; R501-W511 VanDerWaalsContact O-O 3.04Å
502	N	90.8	Very high	84	Confident	4 Å²	4	26.7 Å²	26.7	2%	0.021	14%	0.143	C	C	.	.			trans	-130.8	74.6	174.5	-172	0.2	0	0	0	112	N455 D504 D505 D506	N455-N502 PolarHBondContact O-ND2 2.66Å; N502-D504 PolarHBondContact OD1-OD1 3.29Å; N502-D505 PolarHBondContact OD1-N 2.85Å; N502-D506 PolarHBondContact ND2-O 3.09Å; N502-D506 PolarHBondContact OD1-N 3.17Å
503	P	87.9	Confident	85.3	Confident	19 Å²	19	24 Å²	24	12%	0.123	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-25.2	-179.1	29.8	-36.3	0	0	0	115	W475 L482 I486 W488 P490 L495 W511	W475-P503 HydrophobicContact CH2-CG 4.34Å; W475-P503 HydrophobicContact CZ3-CG 4.12Å; L482-P503 HydrophobicContact CD1-CG 3.96Å; L482-P503 HydrophobicContact CD2-CB 4.39Å; L482-P503 HydrophobicContact CD2-CG 4.17Å; I486-P503 HydrophobicContact CD1-CB 4.39Å; W488-P503 PolarHBondContact NE1-O 3.15Å; P490-P503 HydrophobicContact CB-CB 3.97Å; L495-P503 HydrophobicContact CD1-CB 4.45Å; L495-P503 HydrophobicContact CD2-CB 4.01Å; L495-P503 HydrophobicContact CD2-CG 3.98Å; P503-W511 HydrophobicContact CG-CZ2 4.01Å
504	D	80.6	Confident	86.3	Confident	14 Å²	14	23.9 Å²	23.9	8%	0.075	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	7.9	-175.3	64.9	-45.7	0	0	0	114	I486 N502 D506 W511 K778	I486-D504 HydrophobicContact CD1-CB 3.6Å; I486-D504 HydrophobicContact CG1-CB 3.71Å; N502-D504 PolarHBondContact OD1-OD1 3.29Å; D504-D506 PolarHBondContact O-N 3.21Å; D504-W511 PolarHBondContact OD1-NE1 2.74Å; D504-K778 IonicContact OD1-NZ 2.85Å; D504-K778 PolarHBondContact OD1-NZ 2.8Å; D504-K778 WeakPolarHBondContact OD2-CE 3.49Å; D504-K778 IonicContact OD2-NZ 2.71Å; D504-K778 PolarHBondContact OD2-NZ 2.73Å
505	D	80.6	Confident	86.8	Confident	49 Å²	49	24.8 Å²	24.8	26%	0.262	14%	0.143	S	C	.	.			trans	55.7	42.7	-178.8	-153.5	44.9	0	0	0	111.3	N455 K457 W488 N502 K774	N455-D505 PolarHBondContact ND2-OD1 2.85Å; K457-D505 WeakPolarHBondContact CD-OD1 3.46Å; K457-D505 VanDerWaalsContact CE-OD1 3.26Å; K457-D505 WeakPolarHBondContact CE-OD1 2.87Å; K457-D505 IonicContact NZ-OD1 2.75Å; K457-D505 PolarHBondContact NZ-OD1 3.01Å; K457-D505 IonicContact NZ-OD2 3.83Å; K457-D505 PolarHBondContact NZ-OD2 3.21Å; W488-D505 HydrophobicContact CH2-CB 4.49Å; W488-D505 HydrophobicContact CZ2-CB 4.18Å; N502-D505 PolarHBondContact OD1-N 2.85Å; D505-K774 PolarHBondContact O-NZ 2.6Å
506	D	82.9	Confident	86.8	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.005	15%	0.153	C	C	.	.			trans	-66.7	130.1	176.6	-163.2	-20.8	0	0	0	109.1	N502 D504 H508 Y523 K778	N502-D506 PolarHBondContact ND2-O 3.09Å; N502-D506 PolarHBondContact OD1-N 3.17Å; D504-D506 PolarHBondContact O-N 3.21Å; D506-H508 PolarHBondContact O-N 3.06Å; D506-H508 VanDerWaalsContact O-N 3.15Å; D506-H508 IonicContact OD1-CE1 3.04Å; D506-H508 IonicContact OD1-CG 3.61Å; D506-H508 PolarHBondContact OD1-N 2.74Å; D506-H508 IonicContact OD1-ND1 3.69Å; D506-H508 PolarHBondContact OD1-ND1 2.91Å; D506-Y523 VanDerWaalsContact OD2-CE1 3.31Å; D506-Y523 WeakPolarHBondContact OD2-CE1 3.24Å; D506-Y523 PolarHBondContact OD2-OH 3.48Å; D506-K778 IonicContact OD2-NZ 3.64Å
507	A	80.9	Confident	87.1	Confident	15 Å²	15	28.3 Å²	28.3	12%	0.124	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-12.6	-178.2	0	0	0	0	0	113
508	H	81.8	Confident	86.7	Confident	32 Å²	32	28 Å²	28	15%	0.148	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-1.4	-169.2	-54.3	100	0	0	0	115	D506 Y523 P634 Y771 Y772	D506-H508 PolarHBondContact O-N 3.06Å; D506-H508 VanDerWaalsContact O-N 3.15Å; D506-H508 IonicContact OD1-CE1 3.04Å; D506-H508 IonicContact OD1-CG 3.61Å; D506-H508 PolarHBondContact OD1-N 2.74Å; D506-H508 IonicContact OD1-ND1 3.69Å; D506-H508 PolarHBondContact OD1-ND1 2.91Å; H508-Y523 HydrophobicContact CB-CE1 3.82Å; H508-P634 HydrophobicContact CB-CB 3.85Å; H508-P634 HydrophobicContact CB-CG 4.01Å; H508-P634 WeakPolarHBondContact CD2-CB 3.48Å; H508-P634 VanDerWaalsContact CD2-CG 3.44Å; H508-P634 WeakPolarHBondContact CD2-CG 3.41Å; H508-P634 VanDerWaalsContact CG-CG 3.43Å; H508-Y771 AromaticContact NE2-CD1 3.97Å; H508-Y771 AromaticContact NE2-CE1 3.61Å; H508-Y772 AromaticContact CD2-CE1 3.96Å; H508-Y772 AromaticContact CE1-CD1 3.97Å; H508-Y772 AromaticContact NE2-CD1 3.4Å; H508-Y772 WeakPolarHBondContact NE2-CD1 3.42Å; H508-Y772 AromaticContact NE2-CE1 3.33Å; H508-Y772 VanDerWaalsContact NE2-CE1 3.33Å; H508-Y772 WeakPolarHBondContact NE2-CE1 3.4Å
509	G	86.6	Confident	86.3	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.01	17%	0.173	C	C	.	.			trans	107.9	-178.3	175.3	0	0	0	0	0	115	N455	N455-G509 WeakPolarHBondContact O-CA 3.35Å
510	P	92.1	Very high	86	Confident	2 Å²	2	26.9 Å²	26.9	1%	0.013	17%	0.169	C	C	.	.			trans	-66.2	150.1	-179.2	-18.4	31.6	0	0	0	113.9	Y452 Y459 C500 R501 C524 I526	Y452-P510 VanDerWaalsContact CD1-CD 3.45Å; Y452-P510 HydrophobicContact CD1-CG 4.02Å; Y452-P510 HydrophobicContact CG-CG 4.19Å; Y459-P510 HydrophobicContact CD1-CB 4.13Å; Y459-P510 HydrophobicContact CD1-CG 3.91Å; Y459-P510 HydrophobicContact CG-CG 3.94Å; C500-P510 HydrophobicContact CB-CB 4.3Å; R501-P510 WeakPolarHBondContact O-CA 3.49Å; P510-C524 PolarHBondContact O-N 2.83Å; P510-I526 HydrophobicContact CB-CD1 3.89Å; P510-I526 HydrophobicContact CG-CD1 4Å
511	W	92.3	Very high	85.9	Confident	0 Å²	0	27 Å²	27	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	175.5	-178	61.4	-86.2	0	0	0	110.3	W475 L482 C500 R501 P503 D504 Y513 W521 D522 Y523 K778	W475-W511 HydrophobicContact CH2-CD2 4.1Å; W475-W511 AromaticContact CH2-CE3 3.93Å; W475-W511 HydrophobicContact CH2-CE3 3.93Å; W475-W511 HydrophobicContact CH2-CH2 4.14Å; W475-W511 HydrophobicContact CH2-CZ2 4.27Å; W475-W511 AromaticContact CH2-CZ3 3.95Å; W475-W511 HydrophobicContact CH2-CZ3 3.95Å; W475-W511 VanDerWaalsContact CZ2-O 3.31Å; W475-W511 WeakPolarHBondContact CZ2-O 3.29Å; W475-W511 HydrophobicContact CZ3-CE3 4.34Å; W475-W511 AromaticContact CZ3-CH2 3.82Å; W475-W511 HydrophobicContact CZ3-CH2 3.82Å; W475-W511 HydrophobicContact CZ3-CZ2 4.2Å; W475-W511 AromaticContact CZ3-CZ3 3.88Å; W475-W511 HydrophobicContact CZ3-CZ3 3.88Å; L482-W511 HydrophobicContact CD1-CH2 3.67Å; L482-W511 HydrophobicContact CD1-CZ2 3.85Å; C500-W511 WeakPolarHBondContact CA-O 3.39Å; R501-W511 PolarHBondContact N-O 3.14Å; R501-W511 PolarHBondContact O-N 2.85Å; R501-W511 VanDerWaalsContact O-O 3.04Å; P503-W511 HydrophobicContact CG-CZ2 4.01Å; D504-W511 PolarHBondContact OD1-NE1 2.74Å; W511-Y513 HydrophobicContact CH2-CD2 4.31Å; W511-Y513 AromaticContact CH2-CE2 3.64Å; W511-Y513 HydrophobicContact CH2-CE2 3.64Å; W511-Y513 AromaticContact CH2-CZ 3.85Å; W511-Y513 AromaticContact CZ3-CD2 3.82Å; W511-Y513 HydrophobicContact CZ3-CD2 3.82Å; W511-Y513 HydrophobicContact CZ3-CE1 4.36Å; W511-Y513 AromaticContact CZ3-CE2 3.59Å; W511-Y513 HydrophobicContact CZ3-CE2 3.59Å; W511-Y513 HydrophobicContact CZ3-CG 4.3Å; W511-Y513 AromaticContact CZ3-CZ 3.86Å; W511-W521 HydrophobicContact CB-CE3 4.22Å; W511-W521 HydrophobicContact CB-CZ3 4.4Å; W511-W521 HydrophobicContact CD2-CE3 4.12Å; W511-W521 HydrophobicContact CE3-CB 3.81Å; W511-W521 HydrophobicContact CE3-CD2 4.15Å; W511-W521 AromaticContact CE3-CE3 3.83Å; W511-W521 HydrophobicContact CE3-CE3 3.83Å; W511-W521 HydrophobicContact CE3-CG 4.17Å; W511-W521 HydrophobicContact CG-CE3 4.3Å; W511-W521 HydrophobicContact CG-CZ3 4.48Å; W511-W521 HydrophobicContact CZ3-CB 3.75Å; W511-W521 HydrophobicContact CZ3-CD2 4.37Å; W511-W521 HydrophobicContact CZ3-CE3 4.48Å; W511-W521 HydrophobicContact CZ3-CG 4.07Å; W511-D522 WeakPolarHBondContact CA-O 3.42Å; W511-D522 WeakPolarHBondContact CB-O 3.36Å; W511-Y523 HydrophobicContact CB-CD1 3.9Å; W511-Y523 HydrophobicContact CB-CE1 4.43Å; W511-Y523 HydrophobicContact CB-CG 4.49Å; W511-K778 VanDerWaalsContact NE1-NZ 3.15Å
512	C	93.3	Very high	85.6	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	160.9	169.2	69.8	0	0	0	0	111.6	T466 C472 W475 W521 D522	T466-C512 WeakPolarHBondContact CG2-SG 3.21Å; C472-C512 VanDerWaalsContact CA-SG 3.55Å; C472-C512 HydrophobicContact CB-CB 3.65Å; C472-C512 WeakPolarHBondContact CB-SG 3.33Å; C472-C512 WeakPolarHBondContact SG-CB 3.19Å; C472-C512 CovalentContact SG-SG 2.02Å; C472-C512 PolarHBondContact SG-SG 2.78Å; W475-C512 HydrophobicContact CZ2-CB 4.07Å; C512-W521 WeakPolarHBondContact O-CA 3.46Å; C512-W521 WeakPolarHBondContact O-CB 3.33Å; C512-D522 PolarHBondContact N-O 2.76Å; C512-D522 VanDerWaalsContact N-O 3.09Å; C512-D522 PolarHBondContact O-N 3.05Å; C512-D522 VanDerWaalsContact O-N 3.09Å
513	Y	91.9	Very high	85.5	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.008	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	158.3	163.9	-72.8	-84.9	0	0	0	110.8	C472 S473 W475 N478 D481 L482 W511 P520 W521	C472-Y513 CarbonylContact C-O 3.55Å; C472-Y513 VanDerWaalsContact CA-O 3.28Å; C472-Y513 WeakPolarHBondContact CA-O 3.38Å; S473-Y513 PolarHBondContact N-O 2.78Å; W475-Y513 HydrophobicContact CD2-CD2 4.48Å; W475-Y513 AromaticContact CE3-CD2 3.61Å; W475-Y513 HydrophobicContact CE3-CD2 3.61Å; W475-Y513 AromaticContact CE3-CE2 3.78Å; W475-Y513 HydrophobicContact CE3-CE2 3.78Å; W475-Y513 HydrophobicContact CH2-CD2 4.4Å; W475-Y513 AromaticContact CZ3-CD2 3.57Å; W475-Y513 HydrophobicContact CZ3-CD2 3.57Å; W475-Y513 AromaticContact CZ3-CE2 3.59Å; W475-Y513 HydrophobicContact CZ3-CE2 3.59Å; N478-Y513 HydrophobicContact CB-CD1 3.68Å; N478-Y513 HydrophobicContact CB-CD2 3.45Å; N478-Y513 VanDerWaalsContact CB-CD2 3.45Å; N478-Y513 HydrophobicContact CB-CE1 3.88Å; N478-Y513 HydrophobicContact CB-CE2 3.65Å; N478-Y513 HydrophobicContact CB-CG 3.46Å; N478-Y513 VanDerWaalsContact CB-CG 3.46Å; N478-Y513 VanDerWaalsContact CG-CG 3.46Å; D481-Y513 VanDerWaalsContact C-OH 3.24Å; D481-Y513 HydrophobicContact CB-CE1 3.95Å; D481-Y513 PolarHBondContact O-OH 2.9Å; L482-Y513 VanDerWaalsContact CA-OH 3.25Å; L482-Y513 WeakPolarHBondContact CA-OH 3.23Å; L482-Y513 HydrophobicContact CB-CE2 4.44Å; L482-Y513 HydrophobicContact CD1-CE2 4.21Å; L482-Y513 PolarHBondContact N-OH 3.2Å; W511-Y513 HydrophobicContact CH2-CD2 4.31Å; W511-Y513 AromaticContact CH2-CE2 3.64Å; W511-Y513 HydrophobicContact CH2-CE2 3.64Å; W511-Y513 AromaticContact CH2-CZ 3.85Å; W511-Y513 AromaticContact CZ3-CD2 3.82Å; W511-Y513 HydrophobicContact CZ3-CD2 3.82Å; W511-Y513 HydrophobicContact CZ3-CE1 4.36Å; W511-Y513 AromaticContact CZ3-CE2 3.59Å; W511-Y513 HydrophobicContact CZ3-CE2 3.59Å; W511-Y513 HydrophobicContact CZ3-CG 4.3Å; W511-Y513 AromaticContact CZ3-CZ 3.86Å; Y513-P520 CarbonylContact C-O 3.3Å; Y513-P520 VanDerWaalsContact CA-O 3.23Å; Y513-P520 WeakPolarHBondContact CA-O 3.32Å; Y513-P520 WeakPolarHBondContact CD1-O 3.46Å; Y513-W521 HydrophobicContact CD1-CB 4.18Å
514	T	88.3	Confident	85.6	Confident	9 Å²	9	26.8 Å²	26.8	6%	0.055	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-130	163.6	173.6	100.2	0	0	0	0	111.1	T466 L470 N516 I519 P520	T466-T514 HydrophobicContact CG2-CG2 3.7Å; L470-T514 HydrophobicContact CB-CG2 4.11Å; L470-T514 HydrophobicContact CD1-CG2 4.02Å; T514-N516 PolarHBondContact O-N 3.38Å; T514-N516 WeakPolarHBondContact OG1-CB 3.32Å; T514-N516 PolarHBondContact OG1-N 3.44Å; T514-I519 WeakPolarHBondContact CG2-O 3.35Å; T514-I519 PolarHBondContact OG1-O 3.14Å; T514-P520 PolarHBondContact N-O 3.03Å
515	G	83.6	Confident	85.8	Confident	69 Å²	69	29.9 Å²	29.9	71%	0.711	19%	0.189	S	C	*	.	S	Bend	trans	-75.2	-1.3	173.3	0	0	0	0	0	114.7
516	N	82.3	Confident	86	Confident	51 Å²	51	28.3 Å²	28.3	27%	0.273	18%	0.18	S	C	.	.			trans	-90.1	119.1	-174.9	-172.6	-30	0	0	0	111	L470 T514 L518 I519	L470-N516 HydrophobicContact CD1-CB 4.05Å; T514-N516 PolarHBondContact O-N 3.38Å; T514-N516 WeakPolarHBondContact OG1-CB 3.32Å; T514-N516 PolarHBondContact OG1-N 3.44Å; N516-L518 PolarHBondContact O-N 3.3Å; N516-L518 WeakPolarHBondContact OD1-CB 3.22Å; N516-L518 PolarHBondContact OD1-N 2.96Å; N516-I519 CarbonylContact O-C 3.51Å; N516-I519 PolarHBondContact O-N 3.24Å; N516-I519 VanDerWaalsContact O-N 3.07Å; N516-I519 VanDerWaalsContact O-O 3.14Å
517	P	79.4	Confident	85.9	Confident	122 Å²	122	30.3 Å²	30.3	79%	0.792	19%	0.194	S	C	*	.	S	Bend	trans	-67.4	-17.4	-178	28.6	-36.1	0	0	0	113.9
518	L	77.4	Confident	85.8	Confident	103 Å²	103	35 Å²	35	54%	0.539	21%	0.209	S	C	.	.	S	Bend	trans	-78.7	-41.6	170.9	-59.3	176.1	0	0	0	110.9	N516 P520 Q629 Y783	N516-L518 PolarHBondContact O-N 3.3Å; N516-L518 WeakPolarHBondContact OD1-CB 3.22Å; N516-L518 PolarHBondContact OD1-N 2.96Å; L518-P520 WeakPolarHBondContact O-CD 3.35Å; L518-Q629 PolarHBondContact O-NE2 3.14Å; L518-Y783 WeakPolarHBondContact O-CD1 3.44Å; L518-Y783 WeakPolarHBondContact O-CE1 3.44Å
519	I	83.1	Confident	85.6	Confident	41 Å²	41	34.4 Å²	34.4	21%	0.21	21%	0.208	C	C	.	.			trans	-116.6	73	-176.8	-55.2	179.5	0	0	0	108	L470 T514 N516 W521 D522	L470-I519 HydrophobicContact CD1-CB 3.83Å; L470-I519 HydrophobicContact CD1-CD1 4.1Å; L470-I519 HydrophobicContact CD1-CG1 4.48Å; L470-I519 HydrophobicContact CD1-CG2 3.91Å; T514-I519 WeakPolarHBondContact CG2-O 3.35Å; T514-I519 PolarHBondContact OG1-O 3.14Å; N516-I519 CarbonylContact O-C 3.51Å; N516-I519 PolarHBondContact O-N 3.24Å; N516-I519 VanDerWaalsContact O-N 3.07Å; N516-I519 VanDerWaalsContact O-O 3.14Å; I519-W521 PolarHBondContact O-N 3.14Å; I519-W521 VanDerWaalsContact O-N 3.16Å; I519-D522 HydrophobicContact CG2-CB 3.8Å
520	P	85.9	Confident	84.6	Confident	21 Å²	21	43.9 Å²	43.9	14%	0.136	25%	0.252	C	S	.	.	S	Bend	trans	-61.4	-25.8	-175.7	24.5	-35.6	0	0	0	112.6	Y513 T514 L518 Y783	Y513-P520 CarbonylContact C-O 3.3Å; Y513-P520 VanDerWaalsContact CA-O 3.23Å; Y513-P520 WeakPolarHBondContact CA-O 3.32Å; Y513-P520 WeakPolarHBondContact CD1-O 3.46Å; T514-P520 PolarHBondContact N-O 3.03Å; L518-P520 WeakPolarHBondContact O-CD 3.35Å; P520-Y783 HydrophobicContact CG-CD2 3.63Å; P520-Y783 HydrophobicContact CG-CE2 3.64Å; P520-Y783 HydrophobicContact CG-CG 4.06Å
521	W	90.6	Very high	83	Confident	3 Å²	3	47.4 Å²	47.4	1%	0.011	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	155.3	169.8	71	-89.4	0	0	0	110.9	W511 C512 Y513 I519 Y523 W775 K778 I779 T782 Y783	W511-W521 HydrophobicContact CB-CE3 4.22Å; W511-W521 HydrophobicContact CB-CZ3 4.4Å; W511-W521 HydrophobicContact CD2-CE3 4.12Å; W511-W521 HydrophobicContact CE3-CB 3.81Å; W511-W521 HydrophobicContact CE3-CD2 4.15Å; W511-W521 AromaticContact CE3-CE3 3.83Å; W511-W521 HydrophobicContact CE3-CE3 3.83Å; W511-W521 HydrophobicContact CE3-CG 4.17Å; W511-W521 HydrophobicContact CG-CE3 4.3Å; W511-W521 HydrophobicContact CG-CZ3 4.48Å; W511-W521 HydrophobicContact CZ3-CB 3.75Å; W511-W521 HydrophobicContact CZ3-CD2 4.37Å; W511-W521 HydrophobicContact CZ3-CE3 4.48Å; W511-W521 HydrophobicContact CZ3-CG 4.07Å; C512-W521 WeakPolarHBondContact O-CA 3.46Å; C512-W521 WeakPolarHBondContact O-CB 3.33Å; Y513-W521 HydrophobicContact CD1-CB 4.18Å; I519-W521 PolarHBondContact O-N 3.14Å; I519-W521 VanDerWaalsContact O-N 3.16Å; W521-Y523 HydrophobicContact CH2-CE2 4.01Å; W521-Y523 AromaticContact CH2-CZ 3.88Å; W521-Y523 HydrophobicContact CZ3-CD1 4.45Å; W521-Y523 HydrophobicContact CZ3-CD2 4.2Å; W521-Y523 HydrophobicContact CZ3-CE1 4.06Å; W521-Y523 AromaticContact CZ3-CE2 3.82Å; W521-Y523 HydrophobicContact CZ3-CE2 3.82Å; W521-Y523 AromaticContact CZ3-CZ 3.72Å; W521-W775 AromaticContact CH2-CD1 3.91Å; W521-K778 HydrophobicContact CH2-CD 3.74Å; W521-K778 HydrophobicContact CH2-CG 4.3Å; W521-K778 HydrophobicContact CZ2-CB 4.21Å; W521-K778 HydrophobicContact CZ2-CD 3.47Å; W521-K778 VanDerWaalsContact CZ2-CD 3.47Å; W521-K778 VanDerWaalsContact CZ2-CE 3.5Å; W521-K778 HydrophobicContact CZ2-CG 3.52Å; W521-I779 HydrophobicContact CH2-CD1 4.2Å; W521-I779 HydrophobicContact CZ2-CD1 3.38Å; W521-I779 HydrophobicContact CZ2-CG1 4.19Å; W521-T782 PolarHBondContact NE1-OG1 3.32Å; W521-Y783 AromaticContact CD1-CE2 3.92Å; W521-Y783 AromaticContact NE1-CE2 3.68Å; W521-Y783 PolarHBondContact O-OH 2.77Å
522	D	86.1	Confident	81.2	Confident	6 Å²	6	49.4 Å²	49.4	3%	0.032	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	159.4	174.9	-177.4	35.4	0	0	0	111	T466 R467 S468 W511 C512 I519	T466-D522 WeakPolarHBondContact CB-OD2 3.43Å; T466-D522 HydrophobicContact CG2-CB 3.92Å; T466-D522 PolarHBondContact OG1-OD2 2.76Å; T466-D522 VanDerWaalsContact OG1-OD2 3.06Å; R467-D522 WeakPolarHBondContact CG-OD2 3.45Å; R467-D522 IonicContact CZ-OD1 3.22Å; R467-D522 VanDerWaalsContact CZ-OD1 3.27Å; R467-D522 IonicContact NE-OD1 2.74Å; R467-D522 PolarHBondContact NE-OD1 2.83Å; R467-D522 IonicContact NE-OD2 3.69Å; R467-D522 IonicContact NH2-OD1 2.79Å; R467-D522 PolarHBondContact NH2-OD1 3.06Å; S468-D522 VanDerWaalsContact CB-OD2 3.24Å; S468-D522 WeakPolarHBondContact CB-OD2 3.01Å; S468-D522 PolarHBondContact N-OD2 2.86Å; S468-D522 PolarHBondContact OG-OD2 2.82Å; W511-D522 WeakPolarHBondContact CA-O 3.42Å; W511-D522 WeakPolarHBondContact CB-O 3.36Å; C512-D522 PolarHBondContact N-O 2.76Å; C512-D522 VanDerWaalsContact N-O 3.09Å; C512-D522 PolarHBondContact O-N 3.05Å; C512-D522 VanDerWaalsContact O-N 3.09Å; I519-D522 HydrophobicContact CG2-CB 3.8Å
523	Y	88.3	Confident	79	Confident	10 Å²	10	55.7 Å²	55.7	4%	0.039	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	154.8	178.5	-65	-76	0	0	0	111.9	T466 R467 D506 H508 W511 W521 P634 W775	T466-Y523 CarbonylContact C-O 3.52Å; T466-Y523 WeakPolarHBondContact CA-O 3.02Å; T466-Y523 WeakPolarHBondContact CB-O 3.28Å; R467-Y523 WeakPolarHBondContact CG-O 3.31Å; R467-Y523 PolarHBondContact N-O 3.47Å; D506-Y523 VanDerWaalsContact OD2-CE1 3.31Å; D506-Y523 WeakPolarHBondContact OD2-CE1 3.24Å; D506-Y523 PolarHBondContact OD2-OH 3.48Å; H508-Y523 HydrophobicContact CB-CE1 3.82Å; W511-Y523 HydrophobicContact CB-CD1 3.9Å; W511-Y523 HydrophobicContact CB-CE1 4.43Å; W511-Y523 HydrophobicContact CB-CG 4.49Å; W521-Y523 HydrophobicContact CH2-CE2 4.01Å; W521-Y523 AromaticContact CH2-CZ 3.88Å; W521-Y523 HydrophobicContact CZ3-CD1 4.45Å; W521-Y523 HydrophobicContact CZ3-CD2 4.2Å; W521-Y523 HydrophobicContact CZ3-CE1 4.06Å; W521-Y523 AromaticContact CZ3-CE2 3.82Å; W521-Y523 HydrophobicContact CZ3-CE2 3.82Å; W521-Y523 AromaticContact CZ3-CZ 3.72Å; Y523-P634 HydrophobicContact CE2-CG 4.08Å; Y523-W775 AromaticContact CE2-CD1 3.97Å
524	C	90	Very high	76.5	Confident	12 Å²	12	58.5 Å²	58.5	8%	0.081	36%	0.355	C	S	.	.			trans	-97.1	149.2	178.3	-63.7	0	0	0	0	112.4	L463 C500 P510 I526	L463-C524 HydrophobicContact CD2-CB 4.36Å; C500-C524 HydrophobicContact CB-CB 3.59Å; C500-C524 WeakPolarHBondContact CB-SG 3.45Å; C500-C524 WeakPolarHBondContact SG-CB 3.44Å; C500-C524 CovalentContact SG-SG 2.02Å; C500-C524 PolarHBondContact SG-SG 3.41Å; P510-C524 PolarHBondContact O-N 2.83Å; C524-I526 HydrophobicContact CB-CD1 3.74Å; C524-I526 HydrophobicContact CB-CG1 4.07Å; C524-I526 PolarHBondContact O-N 2.86Å
525	P	84.9	Confident	74	Confident	79 Å²	79	63.1 Å²	63.1	51%	0.513	39%	0.385	S	S	.	.			trans	-82.9	52.2	-173.5	36.5	-36.1	0	0	0	112.1	L463 Q465 R467	L463-P525 HydrophobicContact CD2-CG 4.04Å; Q465-P525 WeakPolarHBondContact O-CD 3.36Å; R467-P525 HydrophobicContact CB-CB 4.2Å
526	I	85.3	Confident	71.6	Confident	15 Å²	15	63.4 Å²	63.4	8%	0.077	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-99.6	128.1	-177.3	-53.4	155.8	0	0	0	108.3	Y452 Y459 L463 C500 P510 C524	Y452-I526 HydrophobicContact CD1-CB 4.01Å; Y452-I526 HydrophobicContact CD1-CG2 3.8Å; Y452-I526 VanDerWaalsContact CE1-O 3.3Å; Y452-I526 WeakPolarHBondContact CE1-O 3.34Å; Y459-I526 HydrophobicContact CD1-CD1 4.11Å; Y459-I526 HydrophobicContact CD2-CG2 4.47Å; Y459-I526 HydrophobicContact CE1-CD1 3.52Å; Y459-I526 HydrophobicContact CE2-CD1 4.15Å; Y459-I526 HydrophobicContact CE2-CG2 3.92Å; L463-I526 HydrophobicContact CD2-CD1 4.19Å; L463-I526 HydrophobicContact CD2-CG1 3.49Å; L463-I526 VanDerWaalsContact CD2-CG1 3.49Å; C500-I526 HydrophobicContact CB-CD1 3.83Å; P510-I526 HydrophobicContact CB-CD1 3.89Å; P510-I526 HydrophobicContact CG-CD1 4Å; C524-I526 HydrophobicContact CB-CD1 3.74Å; C524-I526 HydrophobicContact CB-CG1 4.07Å; C524-I526 PolarHBondContact O-N 2.86Å
527	S	80.8	Confident	69.4	Low	44 Å²	44	65.2 Å²	65.2	31%	0.308	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	156.2	175.5	43.9	0	0	0	0	112.4	Q449 C451 Y452	Q449-S527 PolarHBondContact NE2-OG 2.83Å; C451-S527 CarbonylContact C-O 3.26Å; C451-S527 WeakPolarHBondContact CA-O 3.43Å; C451-S527 WeakPolarHBondContact CB-O 3.29Å; Y452-S527 PolarHBondContact N-O 3.34Å
528	R	77.6	Confident	67	Low	113 Å²	113	64.2 Å²	64.2	43%	0.426	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	146.1	161.1	-71.1	-172.2	-177.4	-159.1	0.3	110	Y452 G454	Y452-R528 HydrophobicContact CD2-CG 4.19Å; Y452-R528 HydrophobicContact CE1-CG 4.25Å; Y452-R528 HydrophobicContact CE2-CG 3.58Å; Y452-R528 VanDerWaalsContact O-CA 3.31Å; Y452-R528 WeakPolarHBondContact O-CA 3.33Å; Y452-R528 PolarHBondContact OH-NE 3.07Å; G454-R528 PolarHBondContact O-NH2 3.08Å
529	C	78.2	Confident	64.7	Low	19 Å²	19	64 Å²	64	13%	0.128	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-67.7	142.9	178.5	-56.1	0	0	0	0	111.7	C451 Y452 R453 D532	C451-C529 VanDerWaalsContact C-SG 3.51Å; C451-C529 HydrophobicContact CB-CB 3.96Å; C451-C529 WeakPolarHBondContact CB-SG 3.44Å; C451-C529 WeakPolarHBondContact SG-CA 3.34Å; C451-C529 WeakPolarHBondContact SG-CB 3.34Å; C451-C529 CovalentContact SG-SG 2.04Å; C451-C529 PolarHBondContact SG-SG 3.18Å; Y452-C529 PolarHBondContact O-N 3.28Å; R453-C529 HydrophobicContact CG-CB 4.12Å; C529-D532 WeakPolarHBondContact O-CB 3.38Å; C529-D532 PolarHBondContact O-N 3Å
530	E	64.6	Low	62.3	Low	201 Å²	201	69.1 Å²	69.1	94%	0.939	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	147.1	172.6	-62.9	-164.7	155.1	0	0	111.2	D532	E530-D532 PolarHBondContact O-N 3.16Å
531	G	60.1	Low	59.8	Low	75 Å²	75	74.4 Å²	74.4	77%	0.773	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	-8.7	-173.7	0	0	0	0	0	115.3	T533	G531-T533 VanDerWaalsContact C-N 3.26Å; G531-T533 PolarHBondContact O-N 3.07Å
532	D	53.7	Low	57.2	Low	43 Å²	43	80 Å²	80	23%	0.23	45%	0.453	C	S	.	.			trans	-74.1	77.6	172	-169	-19	0	0	0	111.2	R453 G454 C529 E530 T534	R453-D532 WeakPolarHBondContact CA-OD2 3.32Å; R453-D532 WeakPolarHBondContact CB-OD2 3.41Å; G454-D532 PolarHBondContact N-OD2 3.2Å; C529-D532 WeakPolarHBondContact O-CB 3.38Å; C529-D532 PolarHBondContact O-N 3Å; E530-D532 PolarHBondContact O-N 3.16Å; D532-T534 PolarHBondContact O-N 2.71Å; D532-T534 VanDerWaalsContact OD1-CB 3.26Å; D532-T534 WeakPolarHBondContact OD1-CB 3.41Å; D532-T534 VanDerWaalsContact OD1-CG2 3.31Å; D532-T534 WeakPolarHBondContact OD1-CG2 3.25Å; D532-T534 PolarHBondContact OD1-N 2.85Å; D532-T534 PolarHBondContact OD1-OG1 2.91Å
533	T	47.7	Very low	54.8	Low	131 Å²	131	84.9 Å²	84.9	80%	0.804	49%	0.485	S	S	*	.			trans	-79.1	52.1	168.1	62.3	0	0	0	0	110.9	G531 P535	G531-T533 VanDerWaalsContact C-N 3.26Å; G531-T533 PolarHBondContact O-N 3.07Å; T533-P535 VanDerWaalsContact O-CD 3.31Å; T533-P535 WeakPolarHBondContact O-CD 3.44Å
534	T	38.8	Very low	53	Low	62 Å²	62	90.6 Å²	90.6	38%	0.38	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-58.3	123.7	168.3	17.7	0	0	0	0	109.1	D532	D532-T534 PolarHBondContact O-N 2.71Å; D532-T534 VanDerWaalsContact OD1-CB 3.26Å; D532-T534 WeakPolarHBondContact OD1-CB 3.41Å; D532-T534 VanDerWaalsContact OD1-CG2 3.31Å; D532-T534 WeakPolarHBondContact OD1-CG2 3.25Å; D532-T534 PolarHBondContact OD1-N 2.85Å; D532-T534 PolarHBondContact OD1-OG1 2.91Å
535	P	35.8	Very low	51.8	Low	106 Å²	106	93.1 Å²	93.1	69%	0.688	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-58.8	147.4	167.3	-21.6	34	0	0	0	109.9	T533	T533-P535 VanDerWaalsContact O-CD 3.31Å; T533-P535 WeakPolarHBondContact O-CD 3.44Å
536	T	33.6	Very low	51.2	Low	74 Å²	74	90.9 Å²	90.9	45%	0.454	52%	0.519	S	S	.	.	S	Bend	trans	-46.8	153.9	153.2	15	0	0	0	0	110.4	V538 E714	T536-V538 VanDerWaalsContact C-N 3.29Å; T536-V538 WeakPolarHBondContact O-CG2 3.42Å; T536-V538 PolarHBondContact O-N 2.6Å; T536-E714 WeakPolarHBondContact CB-OE2 3.37Å; T536-E714 HydrophobicContact CG2-CB 4.14Å; T536-E714 HydrophobicContact CG2-CG 3.86Å; T536-E714 WeakPolarHBondContact CG2-OE2 3.35Å
537	I	35.2	Very low	50.7	Low	90 Å²	90	90.3 Å²	90.3	46%	0.462	52%	0.516	S	S	.	.			trans	-77.6	74.8	-156.7	-50.8	177.7	0	0	0	111.3	N539 E714	I537-N539 HydrophobicContact CG2-CB 4.28Å; I537-N539 PolarHBondContact O-N 2.94Å; I537-E714 VanDerWaalsContact N-CD 3.32Å; I537-E714 PolarHBondContact N-OE1 2.95Å; I537-E714 VanDerWaalsContact N-OE1 3.14Å; I537-E714 PolarHBondContact N-OE2 2.86Å
538	V	28.5	Very low	50.3	Low	100 Å²	100	88.4 Å²	88.4	61%	0.606	50%	0.503	S	S	*	.			trans	-76.2	62.2	175.7	-159.4	0	0	0	0	111	T536 L540	T536-V538 VanDerWaalsContact C-N 3.29Å; T536-V538 WeakPolarHBondContact O-CG2 3.42Å; T536-V538 PolarHBondContact O-N 2.6Å; V538-L540 HydrophobicContact CG1-CB 4.45Å; V538-L540 HydrophobicContact CG1-CD1 3.7Å; V538-L540 HydrophobicContact CG1-CG 3.92Å; V538-L540 PolarHBondContact O-N 2.72Å
539	N	29.7	Very low	49.6	Very low	99 Å²	99	87 Å²	87	53%	0.529	50%	0.5	S	S	.	.			trans	-74.5	71.1	172.6	-126.4	-21.2	0	0	0	109.7	I537 D541	I537-N539 HydrophobicContact CG2-CB 4.28Å; I537-N539 PolarHBondContact O-N 2.94Å; N539-D541 PolarHBondContact O-N 2.79Å
540	L	33.6	Very low	48.2	Very low	149 Å²	149	92.3 Å²	92.3	78%	0.78	53%	0.532	S	S	*	.			trans	-74.9	48.5	178.9	-99.4	170.5	0	0	0	112.7	V538	V538-L540 HydrophobicContact CG1-CB 4.45Å; V538-L540 HydrophobicContact CG1-CD1 3.7Å; V538-L540 HydrophobicContact CG1-CG 3.92Å; V538-L540 PolarHBondContact O-N 2.72Å
541	D	32.8	Very low	47.1	Very low	132 Å²	132	91.5 Å²	91.5	71%	0.706	53%	0.526	S	S	*	.			trans	-164.4	65.4	161.3	-98.7	-32.7	0	0	0	108.3	N539	N539-D541 PolarHBondContact O-N 2.79Å
542	H	35.4	Very low	46	Very low	120 Å²	120	96.7 Å²	96.7	56%	0.556	53%	0.53	S	S	*	.			trans	-120.8	142.2	163.4	-87.3	25.9	0	0	0	109.5
543	P	37.1	Very low	45.2	Very low	108 Å²	108	102.1 Å²	102.1	70%	0.701	56%	0.558	S	S	*	*			trans	-59.9	151.8	170	29	-35	0	0	0	109.2	I545	P543-I545 VanDerWaalsContact C-N 3.33Å; P543-I545 WeakPolarHBondContact O-CG1 3.37Å; P543-I545 PolarHBondContact O-N 2.64Å
544	V	50.8	Low	44.4	Very low	131 Å²	131	106.7 Å²	106.7	79%	0.794	56%	0.56	S	S	*	*			trans	-65.2	94.5	178.1	-177.9	0	0	0	0	109	S546	V544-S546 PolarHBondContact O-N 3.18Å
545	I	64.3	Low	44.2	Very low	64 Å²	64	109.6 Å²	109.6	33%	0.328	58%	0.578	S	S	.	*			trans	-64.5	107	178.5	-58.7	-179.5	0	0	0	107.1	P543 C547 N661 C664	P543-I545 VanDerWaalsContact C-N 3.33Å; P543-I545 WeakPolarHBondContact O-CG1 3.37Å; P543-I545 PolarHBondContact O-N 2.64Å; I545-C547 PolarHBondContact O-N 3.37Å; I545-N661 HydrophobicContact CG2-CB 3.94Å; I545-C664 HydrophobicContact CB-CB 4.38Å; I545-C664 HydrophobicContact CG2-CB 4.03Å; I545-C664 WeakPolarHBondContact O-CB 3.49Å
546	S	71.9	Confident	43.9	Very low	33 Å²	33	110 Å²	110	23%	0.231	58%	0.578	C	S	.	*			trans	-53.1	131.1	170.9	168.2	0	0	0	0	109	V544 A548 N661	V544-S546 PolarHBondContact O-N 3.18Å; S546-A548 VanDerWaalsContact C-N 3.28Å; S546-A548 PolarHBondContact O-N 3.48Å; S546-A548 PolarHBondContact OG-N 2.86Å; S546-A548 PolarHBondContact OG-O 3.2Å; S546-N661 PolarHBondContact O-ND2 3.06Å
547	C	74.9	Confident	43.6	Very low	2 Å²	2	114.2 Å²	114.2	1%	0.014	60%	0.598	C	S	.	*	S	Bend	trans	-68.7	-30.3	178.9	-85	0	0	0	0	112.2	I545 N661 C664 I666 M746	I545-C547 PolarHBondContact O-N 3.37Å; C547-N661 PolarHBondContact O-N 2.85Å; C547-C664 WeakPolarHBondContact CA-SG 3.02Å; C547-C664 HydrophobicContact CB-CB 3.88Å; C547-C664 WeakPolarHBondContact CB-SG 3Å; C547-C664 VanDerWaalsContact SG-C 3.57Å; C547-C664 WeakPolarHBondContact SG-CB 3.41Å; C547-C664 CovalentContact SG-SG 2.03Å; C547-C664 PolarHBondContact SG-SG 2.93Å; C547-I666 HydrophobicContact CB-CD1 3.96Å; C547-I666 HydrophobicContact CB-CG1 3.86Å; C547-I666 WeakPolarHBondContact SG-CG1 3.15Å; C547-M746 HydrophobicContact CB-CE 3.65Å; C547-M746 HydrophobicContact CB-SD 3.88Å; C547-M746 WeakPolarHBondContact O-CE 3.4Å
548	A	72.7	Confident	43.4	Very low	5 Å²	5	112.7 Å²	112.7	4%	0.041	60%	0.604	C	S	.	*	S	Bend	trans	-74.2	138.8	170.9	0	0	0	0	0	113.4	S546 N661 Q741 M744	S546-A548 VanDerWaalsContact C-N 3.28Å; S546-A548 PolarHBondContact O-N 3.48Å; S546-A548 PolarHBondContact OG-N 2.86Å; S546-A548 PolarHBondContact OG-O 3.2Å; A548-N661 PolarHBondContact O-ND2 2.98Å; A548-N661 VanDerWaalsContact O-ND2 3.16Å; A548-Q741 HydrophobicContact CB-CB 4.34Å; A548-M744 HydrophobicContact CB-CE 3.76Å
549	K	62.8	Low	43.5	Very low	83 Å²	83	115.2 Å²	115.2	36%	0.361	61%	0.613	S	S	.	*			trans	-74.4	117.4	174.2	-74	171.1	179.4	172.9	0	111.9	K551 N661 M744 H777	K549-K551 VanDerWaalsContact C-N 3.32Å; K549-K551 PolarHBondContact O-N 3.14Å; K549-N661 WeakPolarHBondContact CG-OD1 3.44Å; K549-M744 HydrophobicContact CB-CE 4.25Å; K549-M744 VanDerWaalsContact O-CE 3.23Å; K549-M744 WeakPolarHBondContact O-CE 3.4Å; K549-H777 PolarHBondContact NZ-NE2 3.21Å; K549-H777 VanDerWaalsContact NZ-NE2 3.16Å
550	T	48.4	Very low	43.4	Very low	130 Å²	130	116.5 Å²	116.5	80%	0.798	63%	0.626	S	S	*	*			trans	-79.5	66.1	-174.5	-40.4	0	0	0	0	113.8
551	K	41.8	Very low	43.3	Very low	185 Å²	185	115 Å²	115	80%	0.804	62%	0.624	S	S	*	*			trans	-110	106.6	161.1	-88.7	-169.6	172.9	-176.8	0	109.9	K549 L553	K549-K551 VanDerWaalsContact C-N 3.32Å; K549-K551 PolarHBondContact O-N 3.14Å; K551-L553 PolarHBondContact O-N 3.14Å
552	Q	37.2	Very low	43.7	Very low	183 Å²	183	120 Å²	120	86%	0.855	63%	0.633	S	S	*	*			trans	-71.1	95.2	169.1	-74.4	-168.2	5.7	0	0	110.4
553	L	35.6	Very low	44.4	Very low	157 Å²	157	119.9 Å²	119.9	82%	0.822	64%	0.641	S	S	*	*			trans	-90.1	109.6	156.3	-73.1	173.4	0	0	0	108.2	K551 V555	K551-L553 PolarHBondContact O-N 3.14Å; L553-V555 PolarHBondContact O-N 3.45Å
554	R	31.4	Very low	45.7	Very low	227 Å²	227	117.1 Å²	117.1	86%	0.857	62%	0.62	S	S	*	*			trans	-69.1	109.3	168	-84.6	-176.2	172.8	172.4	-2.4	108.6	V556	R554-V556 PolarHBondContact O-N 3.38Å
555	V	34.3	Very low	47	Very low	123 Å²	123	112.5 Å²	112.5	75%	0.745	59%	0.592	S	S	*	*			trans	-71.3	113.4	161.3	-179.9	0	0	0	0	107.9	L553	L553-V555 PolarHBondContact O-N 3.45Å
556	V	30	Very low	48.1	Very low	114 Å²	114	109.7 Å²	109.7	69%	0.691	58%	0.579	S	S	*	*	S	Bend	trans	-90.2	132.4	165	-179.1	0	0	0	0	106.9	R554	R554-V556 PolarHBondContact O-N 3.38Å
557	N	27.3	Very low	49.1	Very low	163 Å²	163	108.6 Å²	108.6	87%	0.872	57%	0.57	S	S	*	*	S	Bend	trans	58.6	61	178.3	-58	-11.3	0	0	0	115.7
558	G	30.8	Very low	49.9	Very low	58 Å²	58	108.8 Å²	108.8	60%	0.598	57%	0.571	S	S	*	*			trans	-107.1	134.1	168.6	0	0	0	0	0	112.9
559	I	30	Very low	51	Low	154 Å²	154	108.6 Å²	108.6	79%	0.79	57%	0.569	S	S	*	*			trans	-95.1	141.2	176.4	-60	172.7	0	0	0	109.5
560	P	28.4	Very low	52.5	Low	125 Å²	125	104.6 Å²	104.6	81%	0.812	55%	0.551	S	S	*	*			trans	-71.5	130.6	176.9	-12.4	27.9	0	0	0	111.9
561	T	31	Very low	54.7	Low	119 Å²	119	98.5 Å²	98.5	73%	0.73	51%	0.514	S	S	*	.			trans	-108.1	158.8	173.3	60.6	0	0	0	0	111.7
562	R	41.7	Very low	57.1	Low	236 Å²	236	90.5 Å²	90.5	89%	0.891	48%	0.478	S	S	*	.	S	Bend	trans	-66.9	158.4	175.7	-69.4	179.4	175.7	172.3	-1.8	110.4	N564	R562-N564 PolarHBondContact O-N 2.95Å
563	T	50.9	Low	59.6	Low	118 Å²	118	84 Å²	84	72%	0.724	45%	0.446	S	S	*	.			trans	-52.5	91.2	-166.4	46.5	0	0	0	0	114.5
564	N	63.3	Low	62.1	Low	49 Å²	49	84.2 Å²	84.2	26%	0.262	44%	0.436	S	S	.	.			trans	-70.8	134.8	171.5	-165	-25.7	0	0	0	110.2	R562 G566 W567 D652 N655 R745	R562-N564 PolarHBondContact O-N 2.95Å; N564-G566 PolarHBondContact OD1-N 3.43Å; N564-W567 VanDerWaalsContact O-CH2 3.25Å; N564-W567 WeakPolarHBondContact O-CH2 3.42Å; N564-W567 WeakPolarHBondContact O-CZ3 3.25Å; N564-D652 PolarHBondContact ND2-O 3.07Å; N564-N655 VanDerWaalsContact CG-ND2 3.34Å; N564-N655 PolarHBondContact ND2-ND2 3.07Å; N564-N655 VanDerWaalsContact ND2-ND2 3.18Å; N564-N655 PolarHBondContact OD1-ND2 3.29Å; N564-R745 PolarHBondContact O-NH1 2.78Å
565	V	78.9	Confident	64.7	Low	34 Å²	34	79.1 Å²	79.1	21%	0.206	43%	0.426	C	S	.	.			trans	-134.2	27.1	-179.4	-65.3	0	0	0	0	111.3	W567 M568 Y675 L689	V565-W567 HydrophobicContact CB-CH2 4.46Å; V565-W567 HydrophobicContact CB-CZ2 4.19Å; V565-W567 HydrophobicContact CG1-CH2 4.22Å; V565-W567 HydrophobicContact CG1-CZ2 4.05Å; V565-W567 PolarHBondContact O-N 2.72Å; V565-M568 HydrophobicContact CB-CG 4.37Å; V565-M568 WeakPolarHBondContact O-CB 3.39Å; V565-M568 WeakPolarHBondContact O-CG 3.33Å; V565-M568 PolarHBondContact O-N 3.02Å; V565-Y675 HydrophobicContact CG1-CD1 4.06Å; V565-Y675 HydrophobicContact CG1-CE1 3.55Å; V565-L689 HydrophobicContact CG2-CD2 3.68Å
566	G	87.4	Confident	67.2	Low	5 Å²	5	80.6 Å²	80.6	5%	0.052	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-1.6	-170.6	0	0	0	0	0	116.7	N564 M568 F653 V654 N655	N564-G566 PolarHBondContact OD1-N 3.43Å; G566-M568 VanDerWaalsContact C-N 3.29Å; G566-F653 WeakPolarHBondContact CA-O 3.4Å; G566-V654 WeakPolarHBondContact O-CA 3.27Å; G566-N655 CarbonylContact C-O 3.57Å; G566-N655 PolarHBondContact N-OD1 3.43Å; G566-N655 PolarHBondContact O-N 2.62Å
567	W	92.3	Very high	70	Confident	11 Å²	11	76.2 Å²	76.2	4%	0.042	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-10.9	167	60.2	77.8	0	0	0	113.6	N564 V565 V569 S582 L583 N655 I657 Y675 V738	N564-W567 VanDerWaalsContact O-CH2 3.25Å; N564-W567 WeakPolarHBondContact O-CH2 3.42Å; N564-W567 WeakPolarHBondContact O-CZ3 3.25Å; V565-W567 HydrophobicContact CB-CH2 4.46Å; V565-W567 HydrophobicContact CB-CZ2 4.19Å; V565-W567 HydrophobicContact CG1-CH2 4.22Å; V565-W567 HydrophobicContact CG1-CZ2 4.05Å; V565-W567 PolarHBondContact O-N 2.72Å; W567-V569 PolarHBondContact O-N 3.19Å; W567-S582 CarbonylContact O-C 3.52Å; W567-S582 WeakPolarHBondContact O-CA 3.46Å; W567-L583 PolarHBondContact O-N 2.77Å; W567-N655 WeakPolarHBondContact CA-O 3.44Å; W567-N655 WeakPolarHBondContact CB-O 3.29Å; W567-N655 PolarHBondContact N-O 2.85Å; W567-N655 PolarHBondContact N-OD1 3.43Å; W567-I657 HydrophobicContact CB-CB 3.7Å; W567-I657 HydrophobicContact CB-CG2 3.96Å; W567-I657 HydrophobicContact CD2-CB 4.07Å; W567-I657 HydrophobicContact CD2-CD1 4.02Å; W567-I657 HydrophobicContact CD2-CG1 4.41Å; W567-I657 HydrophobicContact CE3-CB 4.45Å; W567-I657 HydrophobicContact CG-CB 3.73Å; W567-I657 HydrophobicContact CG-CD1 4.12Å; W567-I657 HydrophobicContact CG-CG1 4.44Å; W567-I657 HydrophobicContact CG-CG2 4.16Å; W567-Y675 HydrophobicContact CZ2-CE2 4.09Å; W567-V738 HydrophobicContact CZ2-CG2 4.34Å
568	M	92.9	Very high	72.9	Confident	6 Å²	6	70.6 Å²	70.6	3%	0.03	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	126.4	-178.4	-72.9	-57.1	-60.6	0	0	112	V565 G566 Y675 W677 L689 P736	V565-M568 HydrophobicContact CB-CG 4.37Å; V565-M568 WeakPolarHBondContact O-CB 3.39Å; V565-M568 WeakPolarHBondContact O-CG 3.33Å; V565-M568 PolarHBondContact O-N 3.02Å; G566-M568 VanDerWaalsContact C-N 3.29Å; M568-Y675 WeakPolarHBondContact CE-O 3.22Å; M568-Y675 VanDerWaalsContact SD-CB 3.51Å; M568-Y675 HydrophobicContact SD-CG 4.32Å; M568-W677 HydrophobicContact CB-CH2 3.98Å; M568-W677 HydrophobicContact CE-CH2 4.43Å; M568-W677 HydrophobicContact CE-CZ3 3.95Å; M568-L689 HydrophobicContact CB-CD2 4.33Å; M568-L689 HydrophobicContact CE-CD1 4.17Å; M568-L689 HydrophobicContact CG-CD1 4.45Å; M568-L689 HydrophobicContact CG-CD2 4.22Å; M568-P736 VanDerWaalsContact SD-CD 3.57Å; M568-P736 HydrophobicContact SD-CG 3.55Å; M568-P736 VanDerWaalsContact SD-CG 3.55Å
569	V	95.3	Very high	75.7	Confident	0 Å²	0	68 Å²	68	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.8	177	-173.4	0	0	0	0	109.5	W567 G580 G581 L583 V589 A606 L608	W567-V569 PolarHBondContact O-N 3.19Å; V569-G580 CarbonylContact O-C 3.45Å; V569-G580 WeakPolarHBondContact O-CA 3.43Å; V569-G581 PolarHBondContact N-O 3.4Å; V569-G581 PolarHBondContact O-N 3.31Å; V569-L583 HydrophobicContact CG2-CB 4.14Å; V569-V589 HydrophobicContact CB-CG1 3.98Å; V569-V589 HydrophobicContact CG1-CG1 4.19Å; V569-V589 HydrophobicContact CG1-CG2 4.4Å; V569-V589 HydrophobicContact CG2-CG1 3.79Å; V569-V589 HydrophobicContact CG2-CG2 3.91Å; V569-A606 HydrophobicContact CG1-CB 3.73Å; V569-L608 HydrophobicContact CG1-CG 4.34Å; V569-L608 HydrophobicContact CG2-CD2 3.83Å; V569-L608 HydrophobicContact CG2-CG 4.06Å
570	S	94	Very high	78.6	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	106.9	164.7	153.2	0	0	0	0	108.4	H577 W607	S570-H577 PolarHBondContact OG-ND1 3.26Å; S570-W607 PolarHBondContact N-O 2.87Å; S570-W607 PolarHBondContact O-N 2.95Å
571	L	93.8	Very high	81.8	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	127.3	170.6	177.5	56.1	0	0	0	110	I578 C579 C595 F596 Y604 M642	L571-I578 HydrophobicContact CG-CD1 4.33Å; L571-I578 HydrophobicContact CG-CG1 4.27Å; L571-I578 WeakPolarHBondContact O-CG1 3.45Å; L571-I578 PolarHBondContact O-N 3.27Å; L571-C579 HydrophobicContact CB-CB 4.22Å; L571-C579 WeakPolarHBondContact CB-O 3.41Å; L571-C579 HydrophobicContact CD2-CB 4.27Å; L571-C579 PolarHBondContact N-O 3.04Å; L571-C579 PolarHBondContact O-N 3.43Å; L571-C595 HydrophobicContact CD2-CB 3.76Å; L571-F596 HydrophobicContact CD1-CE1 4.34Å; L571-F596 HydrophobicContact CD2-CE1 3.61Å; L571-F596 HydrophobicContact CD2-CE2 4.24Å; L571-F596 HydrophobicContact CD2-CZ 3.43Å; L571-F596 VanDerWaalsContact CD2-CZ 3.43Å; L571-Y604 HydrophobicContact CD1-CD1 4.02Å; L571-M642 HydrophobicContact CD1-CE 4.11Å; L571-M642 HydrophobicContact CD1-SD 3.64Å; L571-M642 HydrophobicContact CD2-SD 4.28Å
572	R	91.9	Very high	84.9	Confident	17 Å²	17	49.2 Å²	49.2	6%	0.064	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	150.7	178.5	-46.4	-170.4	83.4	85.3	-6.5	111.3	N575 K576 Y604 E605 W607 V613	R572-N575 VanDerWaalsContact CZ-O 3.3Å; R572-N575 PolarHBondContact NE-O 3.24Å; R572-N575 PolarHBondContact NH2-O 2.96Å; R572-K576 CarbonylContact C-O 3.45Å; R572-K576 WeakPolarHBondContact CA-O 3.42Å; R572-K576 WeakPolarHBondContact CB-O 3.33Å; R572-Y604 WeakPolarHBondContact O-CA 3.4Å; R572-Y604 WeakPolarHBondContact O-CD1 3.45Å; R572-E605 HydrophobicContact CB-CB 4.38Å; R572-E605 PolarHBondContact N-O 2.73Å; R572-E605 PolarHBondContact O-N 3.4Å; R572-W607 VanDerWaalsContact CD-NE1 3.34Å; R572-W607 HydrophobicContact CG-CG 4.43Å; R572-V613 PolarHBondContact NH1-O 2.9Å; R572-V613 PolarHBondContact NH2-O 2.93Å
573	Y	89.8	Confident	87.5	Confident	47 Å²	47	38 Å²	38	18%	0.184	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126.2	166.3	176.3	-111.8	0	0	0	108.2	N575 K576 D603 Y604	Y573-N575 PolarHBondContact O-N 3.19Å; Y573-K576 PolarHBondContact N-O 2.62Å; Y573-K576 PolarHBondContact O-N 3.12Å; Y573-D603 CarbonylContact C-O 3.46Å; Y573-D603 VanDerWaalsContact CA-O 3.32Å; Y573-D603 WeakPolarHBondContact CA-O 3.41Å; Y573-D603 HydrophobicContact CD2-CB 3.59Å; Y573-D603 HydrophobicContact CE2-CB 3.39Å; Y573-Y604 HydrophobicContact CD2-CD1 4.1Å; Y573-Y604 AromaticContact CD2-CD2 3.89Å; Y573-Y604 HydrophobicContact CD2-CD2 3.89Å; Y573-Y604 AromaticContact CD2-CE1 3.72Å; Y573-Y604 HydrophobicContact CD2-CE1 3.72Å; Y573-Y604 AromaticContact CD2-CE2 3.5Å; Y573-Y604 HydrophobicContact CD2-CE2 3.5Å; Y573-Y604 HydrophobicContact CD2-CG 4.19Å; Y573-Y604 AromaticContact CD2-CZ 3.39Å; Y573-Y604 HydrophobicContact CE2-CD2 4.34Å; Y573-Y604 AromaticContact CE2-CE2 3.73Å; Y573-Y604 HydrophobicContact CE2-CE2 3.73Å; Y573-Y604 AromaticContact CE2-CZ 3.87Å; Y573-Y604 HydrophobicContact CG-CE1 4.13Å
574	R	89.1	Confident	89.6	Confident	162 Å²	162	32.9 Å²	32.9	61%	0.611	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	52.8	-177.1	-61	-176.4	175.3	-170.9	-6.2	112.7	K576 D603	R574-K576 PolarHBondContact O-N 3.23Å; R574-D603 HydrophobicContact CG-CB 3.94Å; R574-D603 IonicContact CZ-OD2 2.73Å; R574-D603 PolarHBondContact N-O 3.42Å; R574-D603 IonicContact NE-OD1 3.91Å; R574-D603 IonicContact NE-OD2 2.78Å; R574-D603 PolarHBondContact NE-OD2 3.36Å; R574-D603 IonicContact NH2-OD2 2.68Å; R574-D603 PolarHBondContact NH2-OD2 3.42Å
575	N	85.4	Confident	91	Very high	119 Å²	119	34.7 Å²	34.7	64%	0.636	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	-2.8	-176.2	-63.1	-28	0	0	0	116.8	R572 Y573	R572-N575 VanDerWaalsContact CZ-O 3.3Å; R572-N575 PolarHBondContact NE-O 3.24Å; R572-N575 PolarHBondContact NH2-O 2.96Å; Y573-N575 PolarHBondContact O-N 3.19Å
576	K	88.1	Confident	91.7	Very high	154 Å²	154	35.8 Å²	35.8	67%	0.67	16%	0.161	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	133.7	174.5	-168.5	-173.4	172.6	-178.2	0	110.6	R572 Y573 R574	R572-K576 CarbonylContact C-O 3.45Å; R572-K576 WeakPolarHBondContact CA-O 3.42Å; R572-K576 WeakPolarHBondContact CB-O 3.33Å; Y573-K576 PolarHBondContact N-O 2.62Å; Y573-K576 PolarHBondContact O-N 3.12Å; R574-K576 PolarHBondContact O-N 3.23Å
577	H	88.6	Confident	92	Very high	23 Å²	23	36 Å²	36	11%	0.106	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	137.7	167.7	172.9	88	0	0	0	110.8	S570 C579 V613 W677 G731	S570-H577 PolarHBondContact OG-ND1 3.26Å; H577-C579 VanDerWaalsContact CE1-C 3.47Å; H577-C579 PolarHBondContact CE1-O 3.3Å; H577-V613 HydrophobicContact CB-CG2 3.41Å; H577-V613 VanDerWaalsContact CB-CG2 3.41Å; H577-W677 AromaticContact CE1-CE3 3.76Å; H577-G731 PolarHBondContact NE2-O 2.92Å
578	I	87.1	Confident	92.2	Very high	45 Å²	45	36 Å²	36	23%	0.231	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	-26.5	-177.7	54.2	160.1	0	0	0	114.2	L571 C595 Y604	L571-I578 HydrophobicContact CG-CD1 4.33Å; L571-I578 HydrophobicContact CG-CG1 4.27Å; L571-I578 WeakPolarHBondContact O-CG1 3.45Å; L571-I578 PolarHBondContact O-N 3.27Å; I578-C595 WeakPolarHBondContact CD1-O 3.44Å; I578-Y604 HydrophobicContact CD1-CE1 3.97Å
579	C	90.1	Very high	92.4	Very high	4 Å²	4	35.7 Å²	35.7	3%	0.027	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	156.8	-175.2	-85.8	0	0	0	0	112	L571 H577 C595 Y733	L571-C579 HydrophobicContact CB-CB 4.22Å; L571-C579 WeakPolarHBondContact CB-O 3.41Å; L571-C579 HydrophobicContact CD2-CB 4.27Å; L571-C579 PolarHBondContact N-O 3.04Å; L571-C579 PolarHBondContact O-N 3.43Å; H577-C579 VanDerWaalsContact CE1-C 3.47Å; H577-C579 PolarHBondContact CE1-O 3.3Å; C579-C595 HydrophobicContact CB-CB 3.69Å; C579-C595 WeakPolarHBondContact CB-SG 3.32Å; C579-C595 VanDerWaalsContact SG-CA 3.52Å; C579-C595 WeakPolarHBondContact SG-CB 3.33Å; C579-C595 CovalentContact SG-SG 2.03Å; C579-C595 PolarHBondContact SG-SG 3.5Å; C579-Y733 CarbonylContact C-O 3.6Å; C579-Y733 WeakPolarHBondContact CA-O 3.49Å; C579-Y733 WeakPolarHBondContact CB-O 2.76Å; C579-Y733 PolarHBondContact SG-O 2.79Å; C579-Y733 VanDerWaalsContact SG-O 3.36Å
580	G	91.4	Very high	92.5	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	172.7	160	0	0	0	0	0	113.3	V569 T591 G731 Y733 G734	V569-G580 CarbonylContact O-C 3.45Å; V569-G580 WeakPolarHBondContact O-CA 3.43Å; G580-T591 PolarHBondContact O-OG1 3.23Å; G580-G731 PolarHBondContact N-O 3.47Å; G580-Y733 PolarHBondContact N-O 2.63Å; G580-G734 CarbonylContact O-C 3.56Å; G580-G734 VanDerWaalsContact O-C 3.3Å; G580-G734 WeakPolarHBondContact O-CA 3.39Å
581	G	94.6	Very high	92.5	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166	164.9	173.6	0	0	0	0	0	110.7	V569 L590 G734	V569-G581 PolarHBondContact N-O 3.4Å; V569-G581 PolarHBondContact O-N 3.31Å; G581-L590 CarbonylContact C-O 3.53Å; G581-L590 WeakPolarHBondContact CA-O 3.47Å; G581-G734 WeakPolarHBondContact CA-O 3.34Å
582	S	96.4	Very high	92.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	117	-177	-46.7	0	0	0	0	110.4	W567 I584 V589 L590 P736	W567-S582 CarbonylContact O-C 3.52Å; W567-S582 WeakPolarHBondContact O-CA 3.46Å; S582-I584 PolarHBondContact O-N 2.69Å; S582-I584 VanDerWaalsContact O-N 3.12Å; S582-V589 CarbonylContact O-C 3.49Å; S582-V589 VanDerWaalsContact O-CA 3.3Å; S582-V589 WeakPolarHBondContact O-CA 3.42Å; S582-L590 PolarHBondContact N-O 3.08Å; S582-L590 PolarHBondContact O-N 3.04Å; S582-P736 WeakPolarHBondContact OG-CB 3.09Å
583	L	96.3	Very high	92.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	105.5	172.8	-170.7	72.5	0	0	0	109	W567 V569 K585 V589 L608 L644 A648 L650 V654 T656 I657	W567-L583 PolarHBondContact O-N 2.77Å; V569-L583 HydrophobicContact CG2-CB 4.14Å; L583-K585 WeakPolarHBondContact CD1-O 3.45Å; L583-V589 HydrophobicContact CD1-CG2 3.97Å; L583-L608 HydrophobicContact CB-CD2 4.3Å; L583-L608 HydrophobicContact CD1-CD2 3.99Å; L583-L608 HydrophobicContact CD2-CD2 3.87Å; L583-L608 HydrophobicContact CG-CD2 4.28Å; L583-L644 HydrophobicContact CD1-CD1 3.81Å; L583-A648 HydrophobicContact CD1-CB 4.5Å; L583-A648 HydrophobicContact CD2-CB 4.09Å; L583-L650 HydrophobicContact CD2-CD2 4.08Å; L583-V654 HydrophobicContact CD2-CG1 3.91Å; L583-T656 HydrophobicContact CD2-CG2 4.32Å; L583-T656 HydrophobicContact CG-CG2 4.31Å; L583-T656 CarbonylContact O-C 3.44Å; L583-T656 VanDerWaalsContact O-CA 3.26Å; L583-T656 WeakPolarHBondContact O-CA 2.99Å; L583-I657 PolarHBondContact O-N 3.27Å
584	I	94.8	Very high	92.1	Very high	12 Å²	12	42.2 Å²	42.2	6%	0.062	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-16.5	-178.4	58.3	163.4	0	0	0	112.6	S582 W588 L590 L641 I657 L659 V747 I776 I780	S582-I584 PolarHBondContact O-N 2.69Å; S582-I584 VanDerWaalsContact O-N 3.12Å; I584-W588 HydrophobicContact CG1-CB 4.12Å; I584-W588 WeakPolarHBondContact CG1-O 3.46Å; I584-W588 PolarHBondContact N-O 3.49Å; I584-L590 HydrophobicContact CD1-CB 4.25Å; I584-L590 HydrophobicContact CG1-CB 4.49Å; I584-L590 HydrophobicContact CG2-CB 3.97Å; I584-L641 HydrophobicContact CD1-CD2 3.49Å; I584-L641 VanDerWaalsContact CD1-CD2 3.49Å; I584-L641 HydrophobicContact CG1-CD2 4.47Å; I584-I657 HydrophobicContact CG2-CG2 4.06Å; I584-L659 HydrophobicContact CB-CD2 4.25Å; I584-L659 HydrophobicContact CB-CG 4.38Å; I584-L659 HydrophobicContact CD1-CD1 4.27Å; I584-L659 HydrophobicContact CD1-CD2 4.21Å; I584-L659 HydrophobicContact CG2-CD2 3.89Å; I584-L659 HydrophobicContact CG2-CG 4.46Å; I584-V747 HydrophobicContact CG2-CG1 4.28Å; I584-I776 HydrophobicContact CD1-CG2 3.56Å; I584-I780 HydrophobicContact CD1-CD1 3.91Å
585	K	93	Very high	92	Very high	86 Å²	86	34.6 Å²	34.6	37%	0.374	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	161.3	172.6	-161.1	59.1	-179.2	124.7	0	108	L583 S587 W588 I780	L583-K585 WeakPolarHBondContact CD1-O 3.45Å; K585-S587 PolarHBondContact O-N 3.44Å; K585-W588 HydrophobicContact CB-CB 4.06Å; K585-W588 HydrophobicContact CB-CG 4.47Å; K585-W588 PolarHBondContact N-O 2.97Å; K585-W588 PolarHBondContact O-N 3.11Å; K585-W588 VanDerWaalsContact O-O 3.12Å; K585-I780 HydrophobicContact CG-CG2 4.42Å
586	E	93.3	Very high	92.1	Very high	58 Å²	58	29.8 Å²	29.8	27%	0.271	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-30.1	-169.5	-55.7	80.8	-178.9	0	0	113.4	P647 A648 L650	E586-P647 HydrophobicContact CB-CB 4.05Å; E586-P647 WeakPolarHBondContact O-CA 3.47Å; E586-A648 PolarHBondContact O-N 3.44Å; E586-L650 HydrophobicContact CG-CD1 3.97Å; E586-L650 HydrophobicContact CG-CD2 4.24Å; E586-L650 HydrophobicContact CG-CG 4.06Å
587	S	94	Very high	91.4	Very high	10 Å²	10	27.3 Å²	27.3	7%	0.07	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	6.9	177.2	-52.4	0	0	0	0	114.6	K585 K643 L644	K585-S587 PolarHBondContact O-N 3.44Å; S587-K643 WeakPolarHBondContact O-CA 3.43Å; S587-L644 PolarHBondContact O-N 3.44Å
588	W	95.6	Very high	90.9	Very high	9 Å²	9	27.6 Å²	27.6	3%	0.034	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	124.7	-170	-67	104.4	0	0	0	113.6	I584 K585 V631 L641 K643 I779 I780 Y783	I584-W588 HydrophobicContact CG1-CB 4.12Å; I584-W588 WeakPolarHBondContact CG1-O 3.46Å; I584-W588 PolarHBondContact N-O 3.49Å; K585-W588 HydrophobicContact CB-CB 4.06Å; K585-W588 HydrophobicContact CB-CG 4.47Å; K585-W588 PolarHBondContact N-O 2.97Å; K585-W588 PolarHBondContact O-N 3.11Å; K585-W588 VanDerWaalsContact O-O 3.12Å; W588-V631 HydrophobicContact CH2-CG2 4.14Å; W588-V631 HydrophobicContact CZ3-CG2 3.99Å; W588-L641 HydrophobicContact CE3-CB 4.02Å; W588-L641 HydrophobicContact CZ3-CB 4.08Å; W588-K643 HydrophobicContact CD2-CG 4.43Å; W588-K643 HydrophobicContact CE3-CB 4.04Å; W588-K643 HydrophobicContact CE3-CG 4.28Å; W588-K643 HydrophobicContact CH2-CB 4.03Å; W588-K643 HydrophobicContact CH2-CD 3.7Å; W588-K643 HydrophobicContact CH2-CG 3.95Å; W588-K643 HydrophobicContact CZ2-CD 3.82Å; W588-K643 HydrophobicContact CZ2-CG 4.05Å; W588-K643 HydrophobicContact CZ3-CB 3.72Å; W588-K643 HydrophobicContact CZ3-CD 4.27Å; W588-K643 HydrophobicContact CZ3-CG 4.06Å; W588-I779 HydrophobicContact CH2-CG2 3.65Å; W588-I779 HydrophobicContact CZ2-CG2 4.14Å; W588-I779 HydrophobicContact CZ3-CG2 3.89Å; W588-I780 HydrophobicContact CG-CG1 4.27Å; W588-Y783 HydrophobicContact CH2-CD1 4.14Å; W588-Y783 HydrophobicContact CH2-CG 4.12Å; W588-Y783 HydrophobicContact CZ2-CG 4.47Å
589	V	97.1	Very high	90.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.2	176.1	-177.3	0	0	0	0	109.8	V569 S582 L583 M642 L644	V569-V589 HydrophobicContact CB-CG1 3.98Å; V569-V589 HydrophobicContact CG1-CG1 4.19Å; V569-V589 HydrophobicContact CG1-CG2 4.4Å; V569-V589 HydrophobicContact CG2-CG1 3.79Å; V569-V589 HydrophobicContact CG2-CG2 3.91Å; S582-V589 CarbonylContact O-C 3.49Å; S582-V589 VanDerWaalsContact O-CA 3.3Å; S582-V589 WeakPolarHBondContact O-CA 3.42Å; L583-V589 HydrophobicContact CD1-CG2 3.97Å; V589-M642 HydrophobicContact CB-CB 4.32Å; V589-M642 HydrophobicContact CB-CE 3.74Å; V589-M642 HydrophobicContact CG1-CE 3.88Å; V589-M642 HydrophobicContact CG2-CE 3.96Å; V589-M642 PolarHBondContact N-O 3.29Å; V589-M642 PolarHBondContact O-N 2.99Å; V589-L644 HydrophobicContact CG2-CD1 4.01Å; V589-L644 HydrophobicContact CG2-CD2 4.04Å; V589-L644 HydrophobicContact CG2-CG 4.14Å
590	L	97.3	Very high	90	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	128.1	169.4	-177.7	64.3	0	0	0	109.5	G581 S582 I584 L639 L641 V747 V750 V769 I776	G581-L590 CarbonylContact C-O 3.53Å; G581-L590 WeakPolarHBondContact CA-O 3.47Å; S582-L590 PolarHBondContact N-O 3.08Å; S582-L590 PolarHBondContact O-N 3.04Å; I584-L590 HydrophobicContact CD1-CB 4.25Å; I584-L590 HydrophobicContact CG1-CB 4.49Å; I584-L590 HydrophobicContact CG2-CB 3.97Å; L590-L639 HydrophobicContact CD1-CD1 4.43Å; L590-L639 HydrophobicContact CD1-CD2 4.35Å; L590-L641 HydrophobicContact CB-CD2 4.22Å; L590-L641 HydrophobicContact CD1-CD2 3.95Å; L590-L641 HydrophobicContact CD1-CG 4.48Å; L590-V747 HydrophobicContact CD2-CG1 4.3Å; L590-V750 HydrophobicContact CD2-CG2 3.77Å; L590-V750 HydrophobicContact CG-CG2 3.91Å; L590-V769 HydrophobicContact CD2-CG1 4.08Å; L590-V769 HydrophobicContact CD2-CG2 3.96Å; L590-I776 HydrophobicContact CD1-CD1 4.13Å; L590-I776 HydrophobicContact CD2-CD1 4.17Å
591	T	95.4	Very high	89.8	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	-172.5	179.8	-174	0	0	0	0	110.1	G580 F596 V640 M642 G734	G580-T591 PolarHBondContact O-OG1 3.23Å; T591-F596 HydrophobicContact CG2-CE2 3.76Å; T591-F596 HydrophobicContact CG2-CZ 3.85Å; T591-V640 HydrophobicContact CG2-CB 4.36Å; T591-V640 PolarHBondContact N-O 3.45Å; T591-V640 PolarHBondContact O-N 3.16Å; T591-M642 HydrophobicContact CG2-CB 4.36Å; T591-G734 WeakPolarHBondContact OG1-CA 3.15Å
592	A	91.3	Very high	89.5	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	152	-174	0	0	0	0	0	113.3	Q594 C595 D638 V750 V752	A592-Q594 VanDerWaalsContact C-N 3.31Å; A592-Q594 PolarHBondContact O-N 3.05Å; A592-C595 VanDerWaalsContact O-CB 3.28Å; A592-C595 WeakPolarHBondContact O-CB 3.43Å; A592-C595 PolarHBondContact O-N 3.3Å; A592-C595 PolarHBondContact O-SG 2.9Å; A592-C595 VanDerWaalsContact O-SG 3.41Å; A592-D638 CarbonylContact C-O 3.53Å; A592-D638 WeakPolarHBondContact CA-O 3.26Å; A592-V750 HydrophobicContact CB-CG1 4.27Å; A592-V752 HydrophobicContact CB-CG1 4.13Å
593	R	89.5	Confident	89.2	Confident	126 Å²	126	51.8 Å²	51.8	48%	0.475	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-61.4	-35.7	-178.2	178.3	177.4	175.4	91	-0.8	113.2	C595 F596 Y632 D638 V640	R593-C595 PolarHBondContact O-N 2.92Å; R593-F596 PolarHBondContact O-N 3.35Å; R593-Y632 HydrophobicContact CG-CD1 4.04Å; R593-Y632 HydrophobicContact CG-CE1 4.13Å; R593-D638 HydrophobicContact CB-CB 4.46Å; R593-D638 WeakPolarHBondContact CB-O 3.39Å; R593-D638 PolarHBondContact N-O 3.16Å; R593-V640 HydrophobicContact CB-CG2 4.17Å
594	Q	85.4	Confident	89.1	Confident	76 Å²	76	51.9 Å²	51.9	36%	0.355	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-71.5	-10.3	-176.5	-53.4	85.6	-5	0	0	112.9	A592 F596 D638 P753	A592-Q594 VanDerWaalsContact C-N 3.31Å; A592-Q594 PolarHBondContact O-N 3.05Å; Q594-F596 PolarHBondContact O-N 2.86Å; Q594-D638 PolarHBondContact NE2-OD1 2.8Å; Q594-D638 PolarHBondContact NE2-OD2 3.19Å; Q594-P753 HydrophobicContact CB-CG 3.95Å; Q594-P753 HydrophobicContact CG-CG 3.88Å
595	C	87.1	Confident	89.1	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.014	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-73.6	-3.7	175.5	-57.1	0	0	0	0	114.2	L571 I578 C579 A592 R593 P597	L571-C595 HydrophobicContact CD2-CB 3.76Å; I578-C595 WeakPolarHBondContact CD1-O 3.44Å; C579-C595 HydrophobicContact CB-CB 3.69Å; C579-C595 WeakPolarHBondContact CB-SG 3.32Å; C579-C595 VanDerWaalsContact SG-CA 3.52Å; C579-C595 WeakPolarHBondContact SG-CB 3.33Å; C579-C595 CovalentContact SG-SG 2.03Å; C579-C595 PolarHBondContact SG-SG 3.5Å; A592-C595 VanDerWaalsContact O-CB 3.28Å; A592-C595 WeakPolarHBondContact O-CB 3.43Å; A592-C595 PolarHBondContact O-N 3.3Å; A592-C595 PolarHBondContact O-SG 2.9Å; A592-C595 VanDerWaalsContact O-SG 3.41Å; R593-C595 PolarHBondContact O-N 2.92Å; C595-P597 VanDerWaalsContact O-CD 3.27Å; C595-P597 WeakPolarHBondContact O-CD 3.42Å
596	F	87.7	Confident	89.2	Confident	18 Å²	18	49.4 Å²	49.4	8%	0.079	23%	0.231	C	C	.	.			trans	-121.3	71.3	-175.3	-57.6	-75.1	0	0	0	112.5	L571 T591 R593 Q594 S598 Y604 L630 V640 M642	L571-F596 HydrophobicContact CD1-CE1 4.34Å; L571-F596 HydrophobicContact CD2-CE1 3.61Å; L571-F596 HydrophobicContact CD2-CE2 4.24Å; L571-F596 HydrophobicContact CD2-CZ 3.43Å; L571-F596 VanDerWaalsContact CD2-CZ 3.43Å; T591-F596 HydrophobicContact CG2-CE2 3.76Å; T591-F596 HydrophobicContact CG2-CZ 3.85Å; R593-F596 PolarHBondContact O-N 3.35Å; Q594-F596 PolarHBondContact O-N 2.86Å; F596-S598 PolarHBondContact O-N 2.88Å; F596-Y604 WeakPolarHBondContact CA-OH 3.43Å; F596-Y604 HydrophobicContact CD1-CD1 4.12Å; F596-Y604 AromaticContact CD1-CE1 3.69Å; F596-Y604 HydrophobicContact CD1-CE1 3.69Å; F596-Y604 AromaticContact CD1-CZ 4Å; F596-Y604 HydrophobicContact CE1-CD1 4.17Å; F596-Y604 HydrophobicContact CE1-CE1 4.15Å; F596-L630 HydrophobicContact CB-CD1 3.97Å; F596-L630 HydrophobicContact CD1-CD1 3.4Å; F596-L630 HydrophobicContact CD1-CD2 3.77Å; F596-L630 HydrophobicContact CD1-CG 4.23Å; F596-L630 HydrophobicContact CD2-CD1 4.24Å; F596-L630 HydrophobicContact CD2-CD2 4.44Å; F596-L630 HydrophobicContact CE1-CD1 3.93Å; F596-L630 HydrophobicContact CE1-CD2 3.33Å; F596-L630 HydrophobicContact CE1-CG 4.28Å; F596-L630 HydrophobicContact CE2-CD2 4.08Å; F596-L630 HydrophobicContact CG-CD1 3.57Å; F596-L630 HydrophobicContact CG-CD2 4.3Å; F596-L630 HydrophobicContact CZ-CD2 3.5Å; F596-V640 HydrophobicContact CD2-CB 4.32Å; F596-V640 HydrophobicContact CD2-CG1 4.18Å; F596-V640 HydrophobicContact CD2-CG2 4.07Å; F596-V640 HydrophobicContact CE2-CB 3.86Å; F596-V640 HydrophobicContact CE2-CG1 3.62Å; F596-V640 HydrophobicContact CE2-CG2 4.13Å; F596-V640 HydrophobicContact CZ-CG1 4.24Å; F596-M642 HydrophobicContact CE1-SD 4.07Å; F596-M642 HydrophobicContact CZ-CB 4.41Å; F596-M642 HydrophobicContact CZ-CG 4.46Å; F596-M642 HydrophobicContact CZ-SD 3.9Å
597	P	73.8	Confident	89.3	Confident	102 Å²	102	48 Å²	48	66%	0.662	22%	0.223	S	C	*	.	S	Bend	trans	-66.9	-17	174.8	27.2	-37	0	0	0	114.3	C595 Y604	C595-P597 VanDerWaalsContact O-CD 3.27Å; C595-P597 WeakPolarHBondContact O-CD 3.42Å; P597-Y604 VanDerWaalsContact CD-OH 3.24Å; P597-Y604 WeakPolarHBondContact CD-OH 3.38Å
598	S	78.8	Confident	89.2	Confident	28 Å²	28	47.6 Å²	47.6	20%	0.196	22%	0.22	C	C	.	.			trans	-120.4	154.3	175.6	-178.6	0	0	0	0	111.1	F596 D600 Y604	F596-S598 PolarHBondContact O-N 2.88Å; S598-D600 PolarHBondContact OG-N 3.04Å; S598-Y604 PolarHBondContact N-OH 2.73Å; S598-Y604 PolarHBondContact O-OH 3.2Å
599	R	74.4	Confident	88.9	Confident	231 Å²	231	47.6 Å²	47.6	87%	0.872	22%	0.223	S	C	*	.	S	Bend	trans	-95.6	-12.8	171.5	-64.3	-171.7	-177.2	-168	2.7	113.6	L601	R599-L601 PolarHBondContact O-N 3.25Å
600	D	82.1	Confident	88.5	Confident	67 Å²	67	48.3 Å²	48.3	36%	0.358	23%	0.226	S	C	.	.			trans	-80.3	117.4	173	-166	-22.6	0	0	0	109.4	S598 K602 Y604	S598-D600 PolarHBondContact OG-N 3.04Å; D600-K602 VanDerWaalsContact C-N 3.33Å; D600-K602 WeakPolarHBondContact OD1-CB 3.35Å; D600-K602 WeakPolarHBondContact OD1-CD 3.34Å; D600-K602 WeakPolarHBondContact OD1-CG 3.46Å; D600-K602 PolarHBondContact OD1-N 2.91Å; D600-K602 IonicContact OD1-NZ 3.67Å; D600-K602 IonicContact OD2-NZ 3.24Å; D600-K602 PolarHBondContact OD2-NZ 2.8Å; D600-Y604 VanDerWaalsContact O-CD2 3.3Å; D600-Y604 WeakPolarHBondContact O-CD2 3.37Å; D600-Y604 WeakPolarHBondContact O-CE2 3.22Å
601	L	88.5	Confident	87.9	Confident	41 Å²	41	53 Å²	53	22%	0.215	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-79.6	-12.9	-175.4	-53.6	-175.9	0	0	0	113.3	R599 D603 Y604 V627 S628 L630	R599-L601 PolarHBondContact O-N 3.25Å; L601-D603 PolarHBondContact O-N 3.2Å; L601-Y604 PolarHBondContact O-N 3.47Å; L601-Y604 VanDerWaalsContact O-N 3.08Å; L601-V627 HydrophobicContact CD1-CG1 4.34Å; L601-V627 HydrophobicContact CD2-CG1 4.41Å; L601-S628 WeakPolarHBondContact CD1-O 3.36Å; L601-L630 HydrophobicContact CD2-CD1 3.58Å; L601-L630 HydrophobicContact CD2-CD2 4.48Å; L601-L630 HydrophobicContact CD2-CG 3.68Å
602	K	87.9	Confident	87.5	Confident	171 Å²	171	53.5 Å²	53.5	74%	0.743	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-61.9	-31.4	-179.6	-64.5	166.7	-156	138.7	0	113.3	D600 Y604	D600-K602 VanDerWaalsContact C-N 3.33Å; D600-K602 WeakPolarHBondContact OD1-CB 3.35Å; D600-K602 WeakPolarHBondContact OD1-CD 3.34Å; D600-K602 WeakPolarHBondContact OD1-CG 3.46Å; D600-K602 PolarHBondContact OD1-N 2.91Å; D600-K602 IonicContact OD1-NZ 3.67Å; D600-K602 IonicContact OD2-NZ 3.24Å; D600-K602 PolarHBondContact OD2-NZ 2.8Å; K602-Y604 PolarHBondContact O-N 2.99Å
603	D	89.8	Confident	87.2	Confident	50 Å²	50	53.7 Å²	53.7	27%	0.267	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-78.9	-3.2	179.2	-80.6	-23	0	0	0	112.9	Y573 R574 L601	Y573-D603 CarbonylContact C-O 3.46Å; Y573-D603 VanDerWaalsContact CA-O 3.32Å; Y573-D603 WeakPolarHBondContact CA-O 3.41Å; Y573-D603 HydrophobicContact CD2-CB 3.59Å; Y573-D603 HydrophobicContact CE2-CB 3.39Å; R574-D603 HydrophobicContact CG-CB 3.94Å; R574-D603 IonicContact CZ-OD2 2.73Å; R574-D603 PolarHBondContact N-O 3.42Å; R574-D603 IonicContact NE-OD1 3.91Å; R574-D603 IonicContact NE-OD2 2.78Å; R574-D603 PolarHBondContact NE-OD2 3.36Å; R574-D603 IonicContact NH2-OD2 2.68Å; R574-D603 PolarHBondContact NH2-OD2 3.42Å; L601-D603 PolarHBondContact O-N 3.2Å
604	Y	93.6	Very high	86.9	Confident	1 Å²	1	52 Å²	52	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.1	-172.6	-70.1	-91.2	0	0	0	114.3	L571 R572 Y573 I578 F596 P597 S598 D600 L601 K602 V627	L571-Y604 HydrophobicContact CD1-CD1 4.02Å; R572-Y604 WeakPolarHBondContact O-CA 3.4Å; R572-Y604 WeakPolarHBondContact O-CD1 3.45Å; Y573-Y604 HydrophobicContact CD2-CD1 4.1Å; Y573-Y604 AromaticContact CD2-CD2 3.89Å; Y573-Y604 HydrophobicContact CD2-CD2 3.89Å; Y573-Y604 AromaticContact CD2-CE1 3.72Å; Y573-Y604 HydrophobicContact CD2-CE1 3.72Å; Y573-Y604 AromaticContact CD2-CE2 3.5Å; Y573-Y604 HydrophobicContact CD2-CE2 3.5Å; Y573-Y604 HydrophobicContact CD2-CG 4.19Å; Y573-Y604 AromaticContact CD2-CZ 3.39Å; Y573-Y604 HydrophobicContact CE2-CD2 4.34Å; Y573-Y604 AromaticContact CE2-CE2 3.73Å; Y573-Y604 HydrophobicContact CE2-CE2 3.73Å; Y573-Y604 AromaticContact CE2-CZ 3.87Å; Y573-Y604 HydrophobicContact CG-CE1 4.13Å; I578-Y604 HydrophobicContact CD1-CE1 3.97Å; F596-Y604 WeakPolarHBondContact CA-OH 3.43Å; F596-Y604 HydrophobicContact CD1-CD1 4.12Å; F596-Y604 AromaticContact CD1-CE1 3.69Å; F596-Y604 HydrophobicContact CD1-CE1 3.69Å; F596-Y604 AromaticContact CD1-CZ 4Å; F596-Y604 HydrophobicContact CE1-CD1 4.17Å; F596-Y604 HydrophobicContact CE1-CE1 4.15Å; P597-Y604 VanDerWaalsContact CD-OH 3.24Å; P597-Y604 WeakPolarHBondContact CD-OH 3.38Å; S598-Y604 PolarHBondContact N-OH 2.73Å; S598-Y604 PolarHBondContact O-OH 3.2Å; D600-Y604 VanDerWaalsContact O-CD2 3.3Å; D600-Y604 WeakPolarHBondContact O-CD2 3.37Å; D600-Y604 WeakPolarHBondContact O-CE2 3.22Å; L601-Y604 PolarHBondContact O-N 3.47Å; L601-Y604 VanDerWaalsContact O-N 3.08Å; K602-Y604 PolarHBondContact O-N 2.99Å; Y604-V627 PolarHBondContact O-N 2.78Å
605	E	95.1	Very high	86.4	Confident	47 Å²	47	49.5 Å²	49.5	22%	0.22	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	141	174.6	-60.5	-174.3	145.1	0	0	111.2	R572 W607 V624	R572-E605 HydrophobicContact CB-CB 4.38Å; R572-E605 PolarHBondContact N-O 2.73Å; R572-E605 PolarHBondContact O-N 3.4Å; E605-W607 PolarHBondContact OE2-NE1 2.98Å; E605-V624 HydrophobicContact CB-CG1 4.32Å; E605-V624 HydrophobicContact CG-CG1 4.28Å
606	A	95.9	Very high	85.9	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	121	162.6	0	0	0	0	0	109.2	V569 L608 L625 M642 L644	V569-A606 HydrophobicContact CG1-CB 3.73Å; A606-L608 HydrophobicContact CB-CD1 4.17Å; A606-L625 HydrophobicContact CB-CB 4.47Å; A606-L625 PolarHBondContact N-O 2.96Å; A606-L625 PolarHBondContact O-N 3.42Å; A606-M642 HydrophobicContact CB-CE 3.95Å; A606-L644 HydrophobicContact CB-CD2 3.56Å
607	W	94.4	Very high	84.9	Confident	29 Å²	29	58.2 Å²	58.2	11%	0.11	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.4	169.7	-72.4	24.4	0	0	0	109.5	S570 R572 E605 I610 K622 Q623 V624	S570-W607 PolarHBondContact N-O 2.87Å; S570-W607 PolarHBondContact O-N 2.95Å; R572-W607 VanDerWaalsContact CD-NE1 3.34Å; R572-W607 HydrophobicContact CG-CG 4.43Å; E605-W607 PolarHBondContact OE2-NE1 2.98Å; W607-I610 HydrophobicContact CB-CD1 4.02Å; W607-I610 HydrophobicContact CE3-CD1 4.03Å; W607-I610 HydrophobicContact CE3-CG2 4.44Å; W607-K622 HydrophobicContact CD2-CD 4.02Å; W607-K622 HydrophobicContact CE3-CD 3.65Å; W607-K622 HydrophobicContact CZ3-CD 4Å; W607-Q623 WeakPolarHBondContact CA-O 3.25Å; W607-V624 HydrophobicContact CD2-CG2 4.3Å; W607-V624 HydrophobicContact CG-CG2 4.21Å
608	L	93.4	Very high	84.4	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	155.3	-179.5	-53.4	90.8	0	0	0	110.5	V569 L583 A606 I610 K622 Q623 L625 A648 V654	V569-L608 HydrophobicContact CG1-CG 4.34Å; V569-L608 HydrophobicContact CG2-CD2 3.83Å; V569-L608 HydrophobicContact CG2-CG 4.06Å; L583-L608 HydrophobicContact CB-CD2 4.3Å; L583-L608 HydrophobicContact CD1-CD2 3.99Å; L583-L608 HydrophobicContact CD2-CD2 3.87Å; L583-L608 HydrophobicContact CG-CD2 4.28Å; A606-L608 HydrophobicContact CB-CD1 4.17Å; L608-I610 VanDerWaalsContact C-N 3.34Å; L608-K622 WeakPolarHBondContact O-CA 3.41Å; L608-Q623 HydrophobicContact CB-CB 4.46Å; L608-Q623 PolarHBondContact N-O 3.4Å; L608-Q623 PolarHBondContact O-N 3.19Å; L608-L625 HydrophobicContact CD1-CB 4.49Å; L608-L625 HydrophobicContact CD1-CD1 3.6Å; L608-L625 HydrophobicContact CD1-CG 4.03Å; L608-A648 HydrophobicContact CD2-CB 4.29Å; L608-V654 HydrophobicContact CB-CG1 4.18Å; L608-V654 HydrophobicContact CB-CG2 3.92Å; L608-V654 HydrophobicContact CD2-CG1 4Å
609	G	88.8	Confident	84	Confident	10 Å²	10	59.9 Å²	59.9	10%	0.103	30%	0.298	C	S	.	.	S	Bend	trans	69	31.2	178.4	0	0	0	0	0	113.6
610	I	88	Confident	83.5	Confident	14 Å²	14	56.7 Å²	56.7	7%	0.072	29%	0.29	C	S	.	.			trans	-112.2	152.5	176.8	69.6	177.2	0	0	0	111.2	W607 L608 K622 W677	W607-I610 HydrophobicContact CB-CD1 4.02Å; W607-I610 HydrophobicContact CE3-CD1 4.03Å; W607-I610 HydrophobicContact CE3-CG2 4.44Å; L608-I610 VanDerWaalsContact C-N 3.34Å; I610-K622 HydrophobicContact CG2-CB 3.91Å; I610-K622 HydrophobicContact CG2-CD 3.55Å; I610-K622 HydrophobicContact CG2-CG 3.48Å; I610-K622 VanDerWaalsContact CG2-CG 3.48Å; I610-W677 HydrophobicContact CD1-CZ2 4.19Å; I610-W677 HydrophobicContact CG1-CH2 4.34Å; I610-W677 HydrophobicContact CG1-CZ2 3.77Å
611	H	85.1	Confident	83.3	Confident	98 Å²	98	58.2 Å²	58.2	45%	0.454	29%	0.291	S	S	.	.	S	Bend	trans	-106.9	-41.2	166.8	-171	60	0	0	0	111.9	E619 W677 L689	H611-E619 PolarHBondContact N-OE1 3Å; H611-E619 PolarHBondContact N-OE2 3.16Å; H611-W677 PolarHBondContact O-NE1 3Å; H611-L689 PolarHBondContact CE1-O 3.45Å; H611-L689 PolarHBondContact O-N 3.15Å
612	D	86.8	Confident	83.4	Confident	12 Å²	12	59.9 Å²	59.9	6%	0.064	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-92.6	124.3	175.5	-171.9	-30.8	0	0	0	110.7	H614 G615 R616 E619 G687 L688	D612-H614 PolarHBondContact O-N 3.21Å; D612-H614 WeakPolarHBondContact OD1-CA 3.3Å; D612-H614 VanDerWaalsContact OD1-CB 3.28Å; D612-H614 WeakPolarHBondContact OD1-CB 3.18Å; D612-H614 IonicContact OD1-CD2 2.81Å; D612-H614 PolarHBondContact OD1-CD2 3.34Å; D612-H614 VanDerWaalsContact OD1-CD2 3.31Å; D612-H614 IonicContact OD1-CG 2.73Å; D612-H614 PolarHBondContact OD1-N 3.36Å; D612-G615 WeakPolarHBondContact O-CA 3.34Å; D612-G615 PolarHBondContact O-N 3.46Å; D612-R616 IonicContact OD1-CZ 3.55Å; D612-R616 IonicContact OD1-NE 3.24Å; D612-R616 IonicContact OD1-NH2 2.68Å; D612-R616 PolarHBondContact OD1-NH2 3.38Å; D612-R616 WeakPolarHBondContact OD2-CB 3.47Å; D612-R616 IonicContact OD2-CZ 3.67Å; D612-R616 IonicContact OD2-NE 3.68Å; D612-R616 PolarHBondContact OD2-NE 3.21Å; D612-R616 IonicContact OD2-NH2 3.95Å; D612-R616 PolarHBondContact OD2-NH2 2.77Å; D612-E619 PolarHBondContact N-OE1 3.1Å; D612-G687 WeakPolarHBondContact CA-O 3.45Å; D612-L688 HydrophobicContact CB-CD2 4.09Å
613	V	84.8	Confident	83.6	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.024	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.7	178.9	82.4	0	0	0	0	113.6	R572 H577 W677 Y685 G687	R572-V613 PolarHBondContact NH1-O 2.9Å; R572-V613 PolarHBondContact NH2-O 2.93Å; H577-V613 HydrophobicContact CB-CG2 3.41Å; H577-V613 VanDerWaalsContact CB-CG2 3.41Å; V613-W677 HydrophobicContact CB-CB 4.18Å; V613-W677 HydrophobicContact CB-CG 3.88Å; V613-W677 HydrophobicContact CG2-CB 4.02Å; V613-W677 HydrophobicContact CG2-CD2 4.32Å; V613-W677 HydrophobicContact CG2-CG 3.92Å; V613-Y685 HydrophobicContact CG1-CE1 3.95Å; V613-G687 WeakPolarHBondContact CB-O 3.42Å; V613-G687 WeakPolarHBondContact CG1-O 3.34Å; V613-G687 PolarHBondContact N-O 2.89Å
614	H	84.4	Confident	83.8	Confident	92 Å²	92	52.5 Å²	52.5	43%	0.426	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-10	172	-55.8	-84	0	0	0	112	D612 R616 Y685	D612-H614 PolarHBondContact O-N 3.21Å; D612-H614 WeakPolarHBondContact OD1-CA 3.3Å; D612-H614 VanDerWaalsContact OD1-CB 3.28Å; D612-H614 WeakPolarHBondContact OD1-CB 3.18Å; D612-H614 IonicContact OD1-CD2 2.81Å; D612-H614 PolarHBondContact OD1-CD2 3.34Å; D612-H614 VanDerWaalsContact OD1-CD2 3.31Å; D612-H614 IonicContact OD1-CG 2.73Å; D612-H614 PolarHBondContact OD1-N 3.36Å; H614-R616 HydrophobicContact CB-CG 3.99Å; H614-R616 PolarHBondContact CD2-NH2 2.67Å; H614-Y685 AromaticContact NE2-CD1 3.92Å; H614-Y685 AromaticContact NE2-CE1 3.69Å
615	G	74.6	Confident	83.9	Confident	23 Å²	23	52.4 Å²	52.4	24%	0.237	27%	0.266	C	S	.	.			trans	68.1	34.2	-178.2	0	0	0	0	0	113.7	D612	D612-G615 WeakPolarHBondContact O-CA 3.34Å; D612-G615 PolarHBondContact O-N 3.46Å
616	R	76.1	Confident	83.9	Confident	130 Å²	130	54.8 Å²	54.8	49%	0.491	28%	0.28	S	S	.	.			trans	-90.9	149.6	175.8	-55.1	169	-61.5	-159.9	-1.5	109.6	D612 H614 D686	D612-R616 IonicContact OD1-CZ 3.55Å; D612-R616 IonicContact OD1-NE 3.24Å; D612-R616 IonicContact OD1-NH2 2.68Å; D612-R616 PolarHBondContact OD1-NH2 3.38Å; D612-R616 WeakPolarHBondContact OD2-CB 3.47Å; D612-R616 IonicContact OD2-CZ 3.67Å; D612-R616 IonicContact OD2-NE 3.68Å; D612-R616 PolarHBondContact OD2-NE 3.21Å; D612-R616 IonicContact OD2-NH2 3.95Å; D612-R616 PolarHBondContact OD2-NH2 2.77Å; H614-R616 HydrophobicContact CB-CG 3.99Å; H614-R616 PolarHBondContact CD2-NH2 2.67Å; R616-D686 PolarHBondContact NH2-O 2.89Å
617	G	66.2	Low	83.7	Confident	72 Å²	72	55.2 Å²	55.2	74%	0.742	28%	0.283	S	S	*	.	S	Bend	trans	91.3	-164.9	-178.1	0	0	0	0	0	113.2	E619	G617-E619 PolarHBondContact O-N 3.37Å
618	D	62.8	Low	83.5	Confident	124 Å²	124	56.5 Å²	56.5	66%	0.663	30%	0.296	S	S	*	.			trans	-85.7	50.9	-166.2	-157.4	36.3	0	0	0	113.2	K620	D618-K620 PolarHBondContact O-N 2.89Å; D618-K620 WeakPolarHBondContact OD1-CE 3.07Å; D618-K620 WeakPolarHBondContact OD1-CG 3.23Å; D618-K620 IonicContact OD1-NZ 3.68Å; D618-K620 PolarHBondContact OD1-NZ 3.22Å; D618-K620 IonicContact OD2-NZ 2.84Å; D618-K620 PolarHBondContact OD2-NZ 3.13Å
619	E	71.4	Confident	83.3	Confident	41 Å²	41	57.2 Å²	57.2	19%	0.192	30%	0.299	C	S	.	.			trans	-73.2	46.3	-175.4	-60.3	-76.8	-150.3	0	0	112.6	H611 D612 G617 R621 K622	H611-E619 PolarHBondContact N-OE1 3Å; H611-E619 PolarHBondContact N-OE2 3.16Å; D612-E619 PolarHBondContact N-OE1 3.1Å; G617-E619 PolarHBondContact O-N 3.37Å; E619-R621 PolarHBondContact O-N 3.15Å; E619-K622 HydrophobicContact CB-CB 4.35Å; E619-K622 WeakPolarHBondContact O-CB 3.34Å; E619-K622 PolarHBondContact O-N 2.99Å
620	K	64.6	Low	83.3	Confident	164 Å²	164	58 Å²	58	71%	0.713	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-15.4	-168.9	-82.7	-180	164.3	96.2	0	115.8	D618	D618-K620 PolarHBondContact O-N 2.89Å; D618-K620 WeakPolarHBondContact OD1-CE 3.07Å; D618-K620 WeakPolarHBondContact OD1-CG 3.23Å; D618-K620 IonicContact OD1-NZ 3.68Å; D618-K620 PolarHBondContact OD1-NZ 3.22Å; D618-K620 IonicContact OD2-NZ 2.84Å; D618-K620 PolarHBondContact OD2-NZ 3.13Å
621	R	77.4	Confident	83.4	Confident	99 Å²	99	57.6 Å²	57.6	37%	0.374	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	16.1	178.9	-52.1	-154.9	-159.8	168.8	8	113.9	E619 Q623 D651 D652 F653	E619-R621 PolarHBondContact O-N 3.15Å; R621-Q623 PolarHBondContact O-N 2.87Å; R621-D651 WeakPolarHBondContact CD-OD2 3.12Å; R621-D651 IonicContact CZ-OD2 3.33Å; R621-D651 IonicContact NE-OD2 3.31Å; R621-D651 IonicContact NH1-OD2 3.74Å; R621-D651 PolarHBondContact NH1-OD2 3.01Å; R621-D652 IonicContact CZ-OD2 3.38Å; R621-D652 VanDerWaalsContact CZ-OD2 3.24Å; R621-D652 IonicContact NH1-OD2 2.7Å; R621-D652 PolarHBondContact NH1-OD2 3.2Å; R621-D652 IonicContact NH2-OD2 3.86Å; R621-D652 PolarHBondContact NH2-OD2 2.99Å; R621-F653 HydrophobicContact CB-CB 4.29Å; R621-F653 HydrophobicContact CB-CD2 4.41Å; R621-F653 HydrophobicContact CB-CG 4.35Å; R621-F653 HydrophobicContact CG-CD2 4.17Å
622	K	89.4	Confident	83.5	Confident	76 Å²	76	56 Å²	56	33%	0.33	29%	0.289	S	S	.	.			trans	-54.1	127.3	174.6	176.8	173	75.2	173	0	111.1	W607 L608 I610 E619 V624	W607-K622 HydrophobicContact CD2-CD 4.02Å; W607-K622 HydrophobicContact CE3-CD 3.65Å; W607-K622 HydrophobicContact CZ3-CD 4Å; L608-K622 WeakPolarHBondContact O-CA 3.41Å; I610-K622 HydrophobicContact CG2-CB 3.91Å; I610-K622 HydrophobicContact CG2-CD 3.55Å; I610-K622 HydrophobicContact CG2-CG 3.48Å; I610-K622 VanDerWaalsContact CG2-CG 3.48Å; E619-K622 HydrophobicContact CB-CB 4.35Å; E619-K622 WeakPolarHBondContact O-CB 3.34Å; E619-K622 PolarHBondContact O-N 2.99Å; K622-V624 HydrophobicContact CD-CG2 4.23Å; K622-V624 HydrophobicContact CG-CG2 4.24Å
623	Q	92.7	Very high	83.5	Confident	24 Å²	24	55.6 Å²	55.6	11%	0.112	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.4	170.9	-63.6	-179.2	49.6	0	0	109.9	W607 L608 R621 V649	W607-Q623 WeakPolarHBondContact CA-O 3.25Å; L608-Q623 HydrophobicContact CB-CB 4.46Å; L608-Q623 PolarHBondContact N-O 3.4Å; L608-Q623 PolarHBondContact O-N 3.19Å; R621-Q623 PolarHBondContact O-N 2.87Å; Q623-V649 PolarHBondContact NE2-O 2.85Å
624	V	94.4	Very high	83.6	Confident	42 Å²	42	55.6 Å²	55.6	26%	0.255	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124	171.1	-177.2	0	0	0	0	108.3	E605 W607 K622 R646	E605-V624 HydrophobicContact CB-CG1 4.32Å; E605-V624 HydrophobicContact CG-CG1 4.28Å; W607-V624 HydrophobicContact CD2-CG2 4.3Å; W607-V624 HydrophobicContact CG-CG2 4.21Å; K622-V624 HydrophobicContact CD-CG2 4.23Å; K622-V624 HydrophobicContact CG-CG2 4.24Å; V624-R646 PolarHBondContact O-NH2 2.84Å
625	L	95.4	Very high	83.3	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	121.9	-174.1	-58.4	178.8	0	0	0	110.1	A606 L608 L644 R646 A648	A606-L625 HydrophobicContact CB-CB 4.47Å; A606-L625 PolarHBondContact N-O 2.96Å; A606-L625 PolarHBondContact O-N 3.42Å; L608-L625 HydrophobicContact CD1-CB 4.49Å; L608-L625 HydrophobicContact CD1-CD1 3.6Å; L608-L625 HydrophobicContact CD1-CG 4.03Å; L625-L644 HydrophobicContact CB-CD2 4.02Å; L625-L644 HydrophobicContact CD1-CB 4.49Å; L625-L644 HydrophobicContact CD1-CD1 3.78Å; L625-L644 HydrophobicContact CD1-CD2 4.26Å; L625-L644 HydrophobicContact CD1-CG 4.39Å; L625-R646 HydrophobicContact CD2-CG 3.63Å; L625-A648 HydrophobicContact CD1-CB 3.79Å
626	N	94.6	Very high	83.5	Confident	96 Å²	96	62.3 Å²	62.3	51%	0.513	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	151.2	175.3	-57.8	33.3	0	0	0	110.3	A645	N626-A645 HydrophobicContact CB-CB 4.14Å; N626-A645 VanDerWaalsContact O-CB 3.29Å; N626-A645 WeakPolarHBondContact O-CB 3.3Å; N626-A645 PolarHBondContact O-N 3.1Å
627	V	93	Very high	84	Confident	10 Å²	10	56.2 Å²	56.2	6%	0.061	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	125.4	174.2	-177.5	0	0	0	0	109.9	L601 Y604 L630 M642	L601-V627 HydrophobicContact CD1-CG1 4.34Å; L601-V627 HydrophobicContact CD2-CG1 4.41Å; Y604-V627 PolarHBondContact O-N 2.78Å; V627-L630 HydrophobicContact CG1-CD2 3.89Å; V627-M642 HydrophobicContact CB-CG 4.43Å; V627-M642 HydrophobicContact CB-SD 4.45Å; V627-M642 HydrophobicContact CG1-CG 3.62Å; V627-M642 HydrophobicContact CG1-SD 4.13Å; V627-M642 HydrophobicContact CG2-CE 4.48Å; V627-M642 HydrophobicContact CG2-CG 3.98Å; V627-M642 HydrophobicContact CG2-SD 3.44Å; V627-M642 WeakPolarHBondContact CG2-SD 2.98Å
628	S	90.1	Very high	85	Confident	56 Å²	56	55.7 Å²	55.7	39%	0.392	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-30	174.9	54.8	0	0	0	0	113.1	L601 K643 L644	L601-S628 WeakPolarHBondContact CD1-O 3.36Å; S628-K643 PolarHBondContact N-O 3.11Å; S628-K643 PolarHBondContact OG-O 3.41Å; S628-K643 VanDerWaalsContact OG-O 3.1Å; S628-L644 VanDerWaalsContact OG-C 3.31Å; S628-L644 PolarHBondContact OG-O 2.03Å
629	Q	89.3	Confident	86.4	Confident	15 Å²	15	49.8 Å²	49.8	7%	0.07	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	150	-174.6	-156.2	-175.5	-12	0	0	112.6	L518 K643	L518-Q629 PolarHBondContact O-NE2 3.14Å; Q629-K643 HydrophobicContact CB-CB 3.74Å; Q629-K643 HydrophobicContact CB-CD 4.22Å; Q629-K643 PolarHBondContact N-O 3.03Å; Q629-K643 PolarHBondContact O-N 3.27Å
630	L	89.3	Confident	87.4	Confident	25 Å²	25	47.9 Å²	47.9	13%	0.131	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.4	166.2	-56.4	177.3	0	0	0	109.5	F596 L601 V627 Y632 V640 M642	F596-L630 HydrophobicContact CB-CD1 3.97Å; F596-L630 HydrophobicContact CD1-CD1 3.4Å; F596-L630 HydrophobicContact CD1-CD2 3.77Å; F596-L630 HydrophobicContact CD1-CG 4.23Å; F596-L630 HydrophobicContact CD2-CD1 4.24Å; F596-L630 HydrophobicContact CD2-CD2 4.44Å; F596-L630 HydrophobicContact CE1-CD1 3.93Å; F596-L630 HydrophobicContact CE1-CD2 3.33Å; F596-L630 HydrophobicContact CE1-CG 4.28Å; F596-L630 HydrophobicContact CE2-CD2 4.08Å; F596-L630 HydrophobicContact CG-CD1 3.57Å; F596-L630 HydrophobicContact CG-CD2 4.3Å; F596-L630 HydrophobicContact CZ-CD2 3.5Å; L601-L630 HydrophobicContact CD2-CD1 3.58Å; L601-L630 HydrophobicContact CD2-CD2 4.48Å; L601-L630 HydrophobicContact CD2-CG 3.68Å; V627-L630 HydrophobicContact CG1-CD2 3.89Å; L630-Y632 HydrophobicContact CB-CE2 4.25Å; L630-V640 HydrophobicContact CB-CG1 4.22Å; L630-V640 HydrophobicContact CD2-CG1 4.09Å; L630-M642 HydrophobicContact CD2-CB 4.1Å; L630-M642 HydrophobicContact CD2-CG 3.86Å
631	V	89.4	Confident	88.9	Confident	7 Å²	7	40 Å²	40	4%	0.042	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	107.2	174	-173.2	0	0	0	0	108	W588 V640 L641 W775 I779 Y783	W588-V631 HydrophobicContact CH2-CG2 4.14Å; W588-V631 HydrophobicContact CZ3-CG2 3.99Å; V631-V640 WeakPolarHBondContact O-CA 3.38Å; V631-L641 HydrophobicContact CB-CB 4.26Å; V631-L641 PolarHBondContact N-O 3.44Å; V631-L641 PolarHBondContact O-N 3.29Å; V631-W775 HydrophobicContact CG1-CZ2 4.15Å; V631-I779 HydrophobicContact CG1-CD1 3.7Å; V631-I779 HydrophobicContact CG1-CG1 4.12Å; V631-I779 HydrophobicContact CG1-CG2 4.31Å; V631-I779 HydrophobicContact CG2-CG2 4.42Å; V631-Y783 HydrophobicContact CB-CE1 4.48Å; V631-Y783 HydrophobicContact CG1-CE1 4.12Å; V631-Y783 HydrophobicContact CG2-CD1 3.73Å; V631-Y783 HydrophobicContact CG2-CE1 3.49Å; V631-Y783 VanDerWaalsContact CG2-CE1 3.49Å
632	Y	87.4	Confident	89.7	Confident	63 Å²	63	35.4 Å²	35.4	25%	0.247	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	133.9	179.8	-65.1	-82.4	0	0	0	111	R467 R593 L630 V640	R467-Y632 PolarHBondContact NH2-O 2.94Å; R593-Y632 HydrophobicContact CG-CD1 4.04Å; R593-Y632 HydrophobicContact CG-CE1 4.13Å; L630-Y632 HydrophobicContact CB-CE2 4.25Å; Y632-V640 HydrophobicContact CD1-CG2 3.39Å; Y632-V640 HydrophobicContact CE1-CG2 3.66Å; Y632-V640 HydrophobicContact CG-CG2 4.25Å
633	G	85.9	Confident	89.8	Confident	4 Å²	4	32.4 Å²	32.4	4%	0.041	18%	0.184	C	C	.	.			trans	-63.8	179.6	179	0	0	0	0	0	114.4	R467 L639	R467-G633 PolarHBondContact NH1-O 2.86Å; G633-L639 PolarHBondContact N-O 3.38Å
634	P	86.6	Confident	89.9	Confident	4 Å²	4	31.5 Å²	31.5	3%	0.026	18%	0.18	C	C	.	.	S	Bend	trans	-51.8	162.1	171	-29.4	38.4	0	0	0	113.5	H508 Y523 S637 Y772 W775	H508-P634 HydrophobicContact CB-CB 3.85Å; H508-P634 HydrophobicContact CB-CG 4.01Å; H508-P634 WeakPolarHBondContact CD2-CB 3.48Å; H508-P634 VanDerWaalsContact CD2-CG 3.44Å; H508-P634 WeakPolarHBondContact CD2-CG 3.41Å; H508-P634 VanDerWaalsContact CG-CG 3.43Å; Y523-P634 HydrophobicContact CE2-CG 4.08Å; P634-S637 VanDerWaalsContact O-CB 3.25Å; P634-S637 WeakPolarHBondContact O-CB 3.43Å; P634-S637 PolarHBondContact O-N 3.22Å; P634-S637 PolarHBondContact O-OG 2.84Å; P634-Y772 HydrophobicContact CB-CE1 4.2Å; P634-Y772 HydrophobicContact CG-CD1 4.02Å; P634-Y772 HydrophobicContact CG-CE1 4.17Å; P634-W775 HydrophobicContact CG-CB 4.43Å; P634-W775 HydrophobicContact CG-CG 4.13Å
635	E	79.2	Confident	89.8	Confident	190 Å²	190	32.5 Å²	32.5	89%	0.888	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	143.6	173.9	-171.7	163.2	-158.3	0	0	111.5	S637	E635-S637 PolarHBondContact O-N 2.79Å
636	G	79.2	Confident	89.6	Confident	66 Å²	66	38.9 Å²	38.9	68%	0.68	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.6	-3.6	-175.1	0	0	0	0	0	116.3
637	S	85.1	Confident	89.6	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.014	21%	0.213	C	C	.	.			trans	-77.8	-27.7	-175.8	69.6	0	0	0	0	115.1	P634 E635 L639 V767 Y772	P634-S637 VanDerWaalsContact O-CB 3.25Å; P634-S637 WeakPolarHBondContact O-CB 3.43Å; P634-S637 PolarHBondContact O-N 3.22Å; P634-S637 PolarHBondContact O-OG 2.84Å; E635-S637 PolarHBondContact O-N 2.79Å; S637-L639 PolarHBondContact O-N 2.78Å; S637-L639 PolarHBondContact OG-N 3.13Å; S637-V767 WeakPolarHBondContact O-CG1 3.39Å; S637-V767 WeakPolarHBondContact O-CG2 3.19Å; S637-Y772 WeakPolarHBondContact CA-OH 3.34Å
638	D	87	Confident	89.6	Confident	61 Å²	61	37.2 Å²	37.2	33%	0.326	21%	0.212	S	C	.	.			trans	50.1	18.9	-168.9	-77.1	-25.9	0	0	0	115.7	A592 R593 Q594 V752	A592-D638 CarbonylContact C-O 3.53Å; A592-D638 WeakPolarHBondContact CA-O 3.26Å; R593-D638 HydrophobicContact CB-CB 4.46Å; R593-D638 WeakPolarHBondContact CB-O 3.39Å; R593-D638 PolarHBondContact N-O 3.16Å; Q594-D638 PolarHBondContact NE2-OD1 2.8Å; Q594-D638 PolarHBondContact NE2-OD2 3.19Å; D638-V752 HydrophobicContact CB-CG1 4.14Å
639	L	92.8	Very high	89.8	Confident	1 Å²	1	39 Å²	39	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	150.3	176.3	-63.8	-176.8	0	0	0	112.6	L590 G633 S637 V750 V767 Y772 W775	L590-L639 HydrophobicContact CD1-CD1 4.43Å; L590-L639 HydrophobicContact CD1-CD2 4.35Å; G633-L639 PolarHBondContact N-O 3.38Å; S637-L639 PolarHBondContact O-N 2.78Å; S637-L639 PolarHBondContact OG-N 3.13Å; L639-V750 HydrophobicContact CD2-CB 3.82Å; L639-V750 HydrophobicContact CD2-CG1 4.13Å; L639-V750 HydrophobicContact CD2-CG2 3.76Å; L639-V767 HydrophobicContact CD1-CG1 4.15Å; L639-V767 HydrophobicContact CD2-CB 4.07Å; L639-V767 HydrophobicContact CD2-CG1 3.83Å; L639-V767 HydrophobicContact CG-CG1 3.9Å; L639-Y772 HydrophobicContact CD1-CD2 3.67Å; L639-Y772 HydrophobicContact CD1-CE2 4.5Å; L639-Y772 HydrophobicContact CD1-CG 3.71Å; L639-W775 HydrophobicContact CB-CH2 4.39Å; L639-W775 HydrophobicContact CB-CZ3 4Å; L639-W775 HydrophobicContact CD1-CZ3 4.19Å
640	V	93.3	Very high	89.9	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	135	164.4	172.1	0	0	0	0	109.8	T591 R593 F596 L630 V631 Y632	T591-V640 HydrophobicContact CG2-CB 4.36Å; T591-V640 PolarHBondContact N-O 3.45Å; T591-V640 PolarHBondContact O-N 3.16Å; R593-V640 HydrophobicContact CB-CG2 4.17Å; F596-V640 HydrophobicContact CD2-CB 4.32Å; F596-V640 HydrophobicContact CD2-CG1 4.18Å; F596-V640 HydrophobicContact CD2-CG2 4.07Å; F596-V640 HydrophobicContact CE2-CB 3.86Å; F596-V640 HydrophobicContact CE2-CG1 3.62Å; F596-V640 HydrophobicContact CE2-CG2 4.13Å; F596-V640 HydrophobicContact CZ-CG1 4.24Å; L630-V640 HydrophobicContact CB-CG1 4.22Å; L630-V640 HydrophobicContact CD2-CG1 4.09Å; V631-V640 WeakPolarHBondContact O-CA 3.38Å; Y632-V640 HydrophobicContact CD1-CG2 3.39Å; Y632-V640 HydrophobicContact CE1-CG2 3.66Å; Y632-V640 HydrophobicContact CG-CG2 4.25Å
641	L	94.8	Very high	89.8	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	113.3	161	-76.4	172.4	0	0	0	108.8	I584 W588 L590 V631 W775 I776 I779	I584-L641 HydrophobicContact CD1-CD2 3.49Å; I584-L641 VanDerWaalsContact CD1-CD2 3.49Å; I584-L641 HydrophobicContact CG1-CD2 4.47Å; W588-L641 HydrophobicContact CE3-CB 4.02Å; W588-L641 HydrophobicContact CZ3-CB 4.08Å; L590-L641 HydrophobicContact CB-CD2 4.22Å; L590-L641 HydrophobicContact CD1-CD2 3.95Å; L590-L641 HydrophobicContact CD1-CG 4.48Å; V631-L641 HydrophobicContact CB-CB 4.26Å; V631-L641 PolarHBondContact N-O 3.44Å; V631-L641 PolarHBondContact O-N 3.29Å; L641-W775 HydrophobicContact CB-CH2 4.09Å; L641-W775 HydrophobicContact CD1-CE3 4.46Å; L641-W775 HydrophobicContact CD1-CH2 3.68Å; L641-W775 HydrophobicContact CD1-CZ2 4.03Å; L641-W775 HydrophobicContact CD1-CZ3 3.92Å; L641-W775 HydrophobicContact CG-CH2 3.58Å; L641-W775 HydrophobicContact CG-CZ2 4.3Å; L641-W775 HydrophobicContact CG-CZ3 3.93Å; L641-I776 HydrophobicContact CD1-CB 4.38Å; L641-I776 HydrophobicContact CD1-CG1 4.32Å; L641-I776 HydrophobicContact CD1-CG2 4.16Å; L641-I776 HydrophobicContact CD2-CG2 4.34Å; L641-I779 HydrophobicContact CD1-CB 3.76Å; L641-I779 HydrophobicContact CD1-CG1 4.11Å; L641-I779 HydrophobicContact CD1-CG2 3.71Å
642	M	94.6	Very high	89.5	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	122.6	178.9	179.7	177.1	71.9	0	0	109	L571 V589 T591 F596 A606 V627 L630	L571-M642 HydrophobicContact CD1-CE 4.11Å; L571-M642 HydrophobicContact CD1-SD 3.64Å; L571-M642 HydrophobicContact CD2-SD 4.28Å; V589-M642 HydrophobicContact CB-CB 4.32Å; V589-M642 HydrophobicContact CB-CE 3.74Å; V589-M642 HydrophobicContact CG1-CE 3.88Å; V589-M642 HydrophobicContact CG2-CE 3.96Å; V589-M642 PolarHBondContact N-O 3.29Å; V589-M642 PolarHBondContact O-N 2.99Å; T591-M642 HydrophobicContact CG2-CB 4.36Å; F596-M642 HydrophobicContact CE1-SD 4.07Å; F596-M642 HydrophobicContact CZ-CB 4.41Å; F596-M642 HydrophobicContact CZ-CG 4.46Å; F596-M642 HydrophobicContact CZ-SD 3.9Å; A606-M642 HydrophobicContact CB-CE 3.95Å; V627-M642 HydrophobicContact CB-CG 4.43Å; V627-M642 HydrophobicContact CB-SD 4.45Å; V627-M642 HydrophobicContact CG1-CG 3.62Å; V627-M642 HydrophobicContact CG1-SD 4.13Å; V627-M642 HydrophobicContact CG2-CE 4.48Å; V627-M642 HydrophobicContact CG2-CG 3.98Å; V627-M642 HydrophobicContact CG2-SD 3.44Å; V627-M642 WeakPolarHBondContact CG2-SD 2.98Å; L630-M642 HydrophobicContact CD2-CB 4.1Å; L630-M642 HydrophobicContact CD2-CG 3.86Å
643	K	92.5	Very high	89.3	Confident	14 Å²	14	49.5 Å²	49.5	6%	0.061	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.5	178.2	-160.7	174.4	179.2	166.4	0	109.6	S587 W588 S628 Q629 Y783 K784	S587-K643 WeakPolarHBondContact O-CA 3.43Å; W588-K643 HydrophobicContact CD2-CG 4.43Å; W588-K643 HydrophobicContact CE3-CB 4.04Å; W588-K643 HydrophobicContact CE3-CG 4.28Å; W588-K643 HydrophobicContact CH2-CB 4.03Å; W588-K643 HydrophobicContact CH2-CD 3.7Å; W588-K643 HydrophobicContact CH2-CG 3.95Å; W588-K643 HydrophobicContact CZ2-CD 3.82Å; W588-K643 HydrophobicContact CZ2-CG 4.05Å; W588-K643 HydrophobicContact CZ3-CB 3.72Å; W588-K643 HydrophobicContact CZ3-CD 4.27Å; W588-K643 HydrophobicContact CZ3-CG 4.06Å; S628-K643 PolarHBondContact N-O 3.11Å; S628-K643 PolarHBondContact OG-O 3.41Å; S628-K643 VanDerWaalsContact OG-O 3.1Å; Q629-K643 HydrophobicContact CB-CB 3.74Å; Q629-K643 HydrophobicContact CB-CD 4.22Å; Q629-K643 PolarHBondContact N-O 3.03Å; Q629-K643 PolarHBondContact O-N 3.27Å; K643-Y783 PolarHBondContact NZ-O 2.94Å; K643-K784 PolarHBondContact NZ-O 2.98Å
644	L	94.2	Very high	89.6	Confident	5 Å²	5	49.3 Å²	49.3	3%	0.026	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	145.9	177.3	-58.4	168.2	0	0	0	109.6	L583 S587 V589 A606 L625 S628 R646	L583-L644 HydrophobicContact CD1-CD1 3.81Å; S587-L644 PolarHBondContact O-N 3.44Å; V589-L644 HydrophobicContact CG2-CD1 4.01Å; V589-L644 HydrophobicContact CG2-CD2 4.04Å; V589-L644 HydrophobicContact CG2-CG 4.14Å; A606-L644 HydrophobicContact CB-CD2 3.56Å; L625-L644 HydrophobicContact CB-CD2 4.02Å; L625-L644 HydrophobicContact CD1-CB 4.49Å; L625-L644 HydrophobicContact CD1-CD1 3.78Å; L625-L644 HydrophobicContact CD1-CD2 4.26Å; L625-L644 HydrophobicContact CD1-CG 4.39Å; S628-L644 VanDerWaalsContact OG-C 3.31Å; S628-L644 PolarHBondContact OG-O 2.03Å; L644-R646 VanDerWaalsContact C-N 3.25Å; L644-R646 WeakPolarHBondContact CB-O 3.37Å; L644-R646 PolarHBondContact O-N 3.35Å
645	A	91.4	Very high	89.7	Confident	63 Å²	63	50.6 Å²	50.6	52%	0.521	28%	0.281	S	S	.	.	S	Bend	trans	-70	-22.1	-179.6	0	0	0	0	0	113.8	N626	N626-A645 HydrophobicContact CB-CB 4.14Å; N626-A645 VanDerWaalsContact O-CB 3.29Å; N626-A645 WeakPolarHBondContact O-CB 3.3Å; N626-A645 PolarHBondContact O-N 3.1Å
646	R	92.7	Very high	90.4	Very high	134 Å²	134	44.1 Å²	44.1	51%	0.506	25%	0.254	S	S	.	.	S	Bend	trans	-143.3	153.5	168.4	63.7	-169.9	174.7	92.6	0.2	108.6	V624 L625 L644	V624-R646 PolarHBondContact O-NH2 2.84Å; L625-R646 HydrophobicContact CD2-CG 3.63Å; L644-R646 VanDerWaalsContact C-N 3.25Å; L644-R646 WeakPolarHBondContact CB-O 3.37Å; L644-R646 PolarHBondContact O-N 3.35Å
647	P	94.1	Very high	91	Very high	66 Å²	66	41.2 Å²	41.2	43%	0.429	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-57.7	143	174.4	-20.6	31.1	0	0	0	111.7	E586	E586-P647 HydrophobicContact CB-CB 4.05Å; E586-P647 WeakPolarHBondContact O-CA 3.47Å
648	A	93.9	Very high	91.2	Very high	5 Å²	5	44.3 Å²	44.3	4%	0.041	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-67.8	139.4	164.5	0	0	0	0	0	110	L583 E586 L608 L625 V654	L583-A648 HydrophobicContact CD1-CB 4.5Å; L583-A648 HydrophobicContact CD2-CB 4.09Å; E586-A648 PolarHBondContact O-N 3.44Å; L608-A648 HydrophobicContact CD2-CB 4.29Å; L625-A648 HydrophobicContact CD1-CB 3.79Å; A648-V654 HydrophobicContact CB-CG1 4.1Å
649	V	93.5	Very high	91.3	Very high	93 Å²	93	42 Å²	42	56%	0.564	23%	0.227	S	C	*	.	P	Polyproline II helix	trans	-79.8	121.6	173.3	-178.5	0	0	0	0	107.6	Q623	Q623-V649 PolarHBondContact NE2-O 2.85Å
650	L	90.9	Very high	91.1	Very high	73 Å²	73	42 Å²	42	38%	0.382	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-84.8	134.5	-179.1	-53.3	-169.3	0	0	0	111.3	L583 E586 V654 T656	L583-L650 HydrophobicContact CD2-CD2 4.08Å; E586-L650 HydrophobicContact CG-CD1 3.97Å; E586-L650 HydrophobicContact CG-CD2 4.24Å; E586-L650 HydrophobicContact CG-CG 4.06Å; L650-V654 CarbonylContact C-O 3.59Å; L650-V654 VanDerWaalsContact CA-O 3.28Å; L650-V654 WeakPolarHBondContact CA-O 3.24Å; L650-V654 HydrophobicContact CD2-CG1 4.45Å; L650-T656 HydrophobicContact CD1-CG2 4.22Å; L650-T656 HydrophobicContact CD2-CG2 4.34Å
651	D	86.6	Confident	90.6	Very high	50 Å²	50	43.9 Å²	43.9	27%	0.267	24%	0.237	S	C	.	.	S	Bend	trans	-159.2	-163	-178.5	79.6	-15.1	0	0	0	112.7	R621 F653 V654	R621-D651 WeakPolarHBondContact CD-OD2 3.12Å; R621-D651 IonicContact CZ-OD2 3.33Å; R621-D651 IonicContact NE-OD2 3.31Å; R621-D651 IonicContact NH1-OD2 3.74Å; R621-D651 PolarHBondContact NH1-OD2 3.01Å; D651-F653 PolarHBondContact O-N 3.18Å; D651-F653 VanDerWaalsContact O-N 3.17Å; D651-F653 WeakPolarHBondContact OD1-CA 3.45Å; D651-F653 PolarHBondContact OD1-N 2.84Å; D651-V654 PolarHBondContact N-O 3.34Å; D651-V654 VanDerWaalsContact O-O 3.12Å; D651-V654 PolarHBondContact OD1-N 2.99Å
652	D	82.9	Confident	89.9	Confident	103 Å²	103	48.7 Å²	48.7	55%	0.551	26%	0.256	S	S	*	.	S	Bend	trans	-63	-15.5	178.3	-45.3	-69.1	0	0	0	114.2	N564 R621	N564-D652 PolarHBondContact ND2-O 3.07Å; R621-D652 IonicContact CZ-OD2 3.38Å; R621-D652 VanDerWaalsContact CZ-OD2 3.24Å; R621-D652 IonicContact NH1-OD2 2.7Å; R621-D652 PolarHBondContact NH1-OD2 3.2Å; R621-D652 IonicContact NH2-OD2 3.86Å; R621-D652 PolarHBondContact NH2-OD2 2.99Å
653	F	84.7	Confident	88.8	Confident	104 Å²	104	50.7 Å²	50.7	46%	0.456	28%	0.277	S	S	.	.	S	Bend	trans	-120.1	-18.7	-174.1	-67.4	-100.7	0	0	0	113.2	G566 R621 D651	G566-F653 WeakPolarHBondContact CA-O 3.4Å; R621-F653 HydrophobicContact CB-CB 4.29Å; R621-F653 HydrophobicContact CB-CD2 4.41Å; R621-F653 HydrophobicContact CB-CG 4.35Å; R621-F653 HydrophobicContact CG-CD2 4.17Å; D651-F653 PolarHBondContact O-N 3.18Å; D651-F653 VanDerWaalsContact O-N 3.17Å; D651-F653 WeakPolarHBondContact OD1-CA 3.45Å; D651-F653 PolarHBondContact OD1-N 2.84Å
654	V	90.6	Very high	88.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.275	C	S	.	.			trans	-129.6	120.6	176.8	-179.5	0	0	0	0	110.1	G566 L583 L608 A648 L650 D651	G566-V654 WeakPolarHBondContact O-CA 3.27Å; L583-V654 HydrophobicContact CD2-CG1 3.91Å; L608-V654 HydrophobicContact CB-CG1 4.18Å; L608-V654 HydrophobicContact CB-CG2 3.92Å; L608-V654 HydrophobicContact CD2-CG1 4Å; A648-V654 HydrophobicContact CB-CG1 4.1Å; L650-V654 CarbonylContact C-O 3.59Å; L650-V654 VanDerWaalsContact CA-O 3.28Å; L650-V654 WeakPolarHBondContact CA-O 3.24Å; L650-V654 HydrophobicContact CD2-CG1 4.45Å; D651-V654 PolarHBondContact N-O 3.34Å; D651-V654 VanDerWaalsContact O-O 3.12Å; D651-V654 PolarHBondContact OD1-N 2.99Å
655	N	90.4	Very high	87.6	Confident	32 Å²	32	54.1 Å²	54.1	17%	0.171	30%	0.299	C	S	.	.			trans	-153.1	164.2	-176.8	42.4	76.2	0	0	0	111.5	N564 G566 W567	N564-N655 VanDerWaalsContact CG-ND2 3.34Å; N564-N655 PolarHBondContact ND2-ND2 3.07Å; N564-N655 VanDerWaalsContact ND2-ND2 3.18Å; N564-N655 PolarHBondContact OD1-ND2 3.29Å; G566-N655 CarbonylContact C-O 3.57Å; G566-N655 PolarHBondContact N-OD1 3.43Å; G566-N655 PolarHBondContact O-N 2.62Å; W567-N655 WeakPolarHBondContact CA-O 3.44Å; W567-N655 WeakPolarHBondContact CB-O 3.29Å; W567-N655 PolarHBondContact N-O 2.85Å; W567-N655 PolarHBondContact N-OD1 3.43Å
656	T	92.3	Very high	87.1	Confident	54 Å²	54	51.9 Å²	51.9	33%	0.331	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-91.5	141.2	-179.1	55.1	0	0	0	0	112.1	L583 L650	L583-T656 HydrophobicContact CD2-CG2 4.32Å; L583-T656 HydrophobicContact CG-CG2 4.31Å; L583-T656 CarbonylContact O-C 3.44Å; L583-T656 VanDerWaalsContact O-CA 3.26Å; L583-T656 WeakPolarHBondContact O-CA 2.99Å; L650-T656 HydrophobicContact CD1-CG2 4.22Å; L650-T656 HydrophobicContact CD2-CG2 4.34Å
657	I	92.4	Very high	86.6	Confident	5 Å²	5	49.2 Å²	49.2	3%	0.026	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-92.4	144.2	169.9	-169.8	163.7	0	0	0	112	W567 L583 I584 V738 R745 V747	W567-I657 HydrophobicContact CB-CB 3.7Å; W567-I657 HydrophobicContact CB-CG2 3.96Å; W567-I657 HydrophobicContact CD2-CB 4.07Å; W567-I657 HydrophobicContact CD2-CD1 4.02Å; W567-I657 HydrophobicContact CD2-CG1 4.41Å; W567-I657 HydrophobicContact CE3-CB 4.45Å; W567-I657 HydrophobicContact CG-CB 3.73Å; W567-I657 HydrophobicContact CG-CD1 4.12Å; W567-I657 HydrophobicContact CG-CG1 4.44Å; W567-I657 HydrophobicContact CG-CG2 4.16Å; L583-I657 PolarHBondContact O-N 3.27Å; I584-I657 HydrophobicContact CG2-CG2 4.06Å; I657-V738 HydrophobicContact CD1-CB 4.18Å; I657-V738 HydrophobicContact CD1-CG1 3.75Å; I657-V738 HydrophobicContact CD1-CG2 3.45Å; I657-V738 VanDerWaalsContact CD1-CG2 3.45Å; I657-R745 WeakPolarHBondContact CG1-O 3.45Å; I657-V747 HydrophobicContact CD1-CB 4.17Å; I657-V747 HydrophobicContact CG2-CB 4.39Å; I657-V747 HydrophobicContact CG2-CG1 4.11Å
658	D	90	Very high	86.2	Confident	67 Å²	67	49.8 Å²	49.8	36%	0.358	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-69.1	146	179.3	-84.6	-59.1	0	0	0	113.1	R745 M746 V747	D658-R745 WeakPolarHBondContact CB-O 3.17Å; D658-R745 PolarHBondContact N-O 3.41Å; D658-M746 HydrophobicContact CB-CB 3.97Å; D658-M746 WeakPolarHBondContact O-CA 3.28Å; D658-M746 WeakPolarHBondContact O-CB 3.18Å; D658-V747 PolarHBondContact O-N 2.03Å; D658-V747 VanDerWaalsContact O-N 3.09Å
659	L	89.3	Confident	85.7	Confident	12 Å²	12	57.7 Å²	57.7	6%	0.063	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-91.8	142.2	169.7	-69.2	171.1	0	0	0	111.5	I584 V747 V769 I776 I780	I584-L659 HydrophobicContact CB-CD2 4.25Å; I584-L659 HydrophobicContact CB-CG 4.38Å; I584-L659 HydrophobicContact CD1-CD1 4.27Å; I584-L659 HydrophobicContact CD1-CD2 4.21Å; I584-L659 HydrophobicContact CG2-CD2 3.89Å; I584-L659 HydrophobicContact CG2-CG 4.46Å; L659-V747 HydrophobicContact CD2-CG1 4.23Å; L659-V769 HydrophobicContact CD2-CG1 4.11Å; L659-I776 HydrophobicContact CD1-CB 4.45Å; L659-I776 HydrophobicContact CD1-CG2 3.48Å; L659-I776 VanDerWaalsContact CD1-CG2 3.48Å; L659-I776 HydrophobicContact CD2-CD1 4.22Å; L659-I776 HydrophobicContact CD2-CG2 4.09Å; L659-I776 HydrophobicContact CG-CG2 4.45Å; L659-I780 HydrophobicContact CD1-CD1 4.22Å
660	P	88.7	Confident	85.4	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-58.7	150.5	170.7	21.9	-31.8	0	0	0	113.7	C664 M746 V747 L748 V769 A770	P660-C664 VanDerWaalsContact CB-SG 3.59Å; P660-M746 HydrophobicContact CB-CE 3.44Å; P660-M746 VanDerWaalsContact CB-CE 3.44Å; P660-M746 HydrophobicContact CG-CE 4.33Å; P660-V747 VanDerWaalsContact CD-O 3.23Å; P660-V747 WeakPolarHBondContact CD-O 2.96Å; P660-L748 HydrophobicContact CB-CD2 4.29Å; P660-V769 HydrophobicContact CG-CB 4.04Å; P660-V769 HydrophobicContact CG-CG1 3.79Å; P660-A770 HydrophobicContact CB-CB 3.87Å; P660-A770 HydrophobicContact CG-CB 4Å
661	N	81.4	Confident	85.2	Confident	41 Å²	41	54.2 Å²	54.2	22%	0.219	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-60.2	141.6	159.3	-67.7	-32.6	0	0	0	109.9	I545 S546 C547 A548 K549 G663 C664	I545-N661 HydrophobicContact CG2-CB 3.94Å; S546-N661 PolarHBondContact O-ND2 3.06Å; C547-N661 PolarHBondContact O-N 2.85Å; A548-N661 PolarHBondContact O-ND2 2.98Å; A548-N661 VanDerWaalsContact O-ND2 3.16Å; K549-N661 WeakPolarHBondContact CG-OD1 3.44Å; N661-G663 PolarHBondContact O-N 2.86Å; N661-C664 HydrophobicContact CB-CB 4.2Å; N661-C664 VanDerWaalsContact O-CB 3.25Å; N661-C664 WeakPolarHBondContact O-CB 3.32Å; N661-C664 PolarHBondContact O-N 2.92Å; N661-C664 PolarHBondContact O-SG 3.08Å
662	Y	79.8	Confident	85.4	Confident	100 Å²	100	52 Å²	52	39%	0.392	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	136.9	177.7	165.2	-103.4	0	0	0	111.7	C664 K774	Y662-C664 PolarHBondContact O-N 2.03Å; Y662-K774 HydrophobicContact CD1-CG 4.37Å; Y662-K774 HydrophobicContact CD2-CB 4.17Å; Y662-K774 HydrophobicContact CD2-CD 4.2Å; Y662-K774 HydrophobicContact CD2-CG 3.71Å; Y662-K774 HydrophobicContact CE1-CD 4.35Å; Y662-K774 HydrophobicContact CE2-CB 4.45Å; Y662-K774 HydrophobicContact CE2-CD 3.91Å; Y662-K774 HydrophobicContact CE2-CG 3.96Å; Y662-K774 HydrophobicContact CG-CG 3.92Å
663	G	73	Confident	85.6	Confident	43 Å²	43	47.9 Å²	47.9	44%	0.443	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	10.4	178.5	0	0	0	0	0	115	N661 A770	N661-G663 PolarHBondContact O-N 2.86Å; G663-A770 PolarHBondContact N-O 2.82Å
664	C	80.8	Confident	85.8	Confident	4 Å²	4	43.2 Å²	43.2	3%	0.027	24%	0.241	C	C	.	.			trans	-71.5	146.7	-177.1	83.3	0	0	0	0	112.6	I545 C547 P660 N661 Y662	I545-C664 HydrophobicContact CB-CB 4.38Å; I545-C664 HydrophobicContact CG2-CB 4.03Å; I545-C664 WeakPolarHBondContact O-CB 3.49Å; C547-C664 WeakPolarHBondContact CA-SG 3.02Å; C547-C664 HydrophobicContact CB-CB 3.88Å; C547-C664 WeakPolarHBondContact CB-SG 3Å; C547-C664 VanDerWaalsContact SG-C 3.57Å; C547-C664 WeakPolarHBondContact SG-CB 3.41Å; C547-C664 CovalentContact SG-SG 2.03Å; C547-C664 PolarHBondContact SG-SG 2.93Å; P660-C664 VanDerWaalsContact CB-SG 3.59Å; N661-C664 HydrophobicContact CB-CB 4.2Å; N661-C664 VanDerWaalsContact O-CB 3.25Å; N661-C664 WeakPolarHBondContact O-CB 3.32Å; N661-C664 PolarHBondContact O-N 2.92Å; N661-C664 PolarHBondContact O-SG 3.08Å; Y662-C664 PolarHBondContact O-N 2.03Å
665	T	80.2	Confident	85.6	Confident	88 Å²	88	44.4 Å²	44.4	54%	0.54	25%	0.246	S	C	.	.			trans	-119.2	128	179.6	-66.9	0	0	0	0	110.5
666	I	80.2	Confident	85.3	Confident	16 Å²	16	43.1 Å²	43.1	8%	0.082	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-95.7	137.7	175.1	-78.2	-108.7	0	0	0	109.9	C547 T670 I696 L748	C547-I666 HydrophobicContact CB-CD1 3.96Å; C547-I666 HydrophobicContact CB-CG1 3.86Å; C547-I666 WeakPolarHBondContact SG-CG1 3.15Å; I666-T670 HydrophobicContact CG2-CG2 3.86Å; I666-I696 HydrophobicContact CG2-CB 4.37Å; I666-I696 HydrophobicContact CG2-CG1 3.87Å; I666-I696 HydrophobicContact CG2-CG2 4.4Å; I666-L748 HydrophobicContact CB-CD1 3.88Å; I666-L748 HydrophobicContact CD1-CD1 3.9Å; I666-L748 HydrophobicContact CG1-CD1 3.53Å; I666-L748 HydrophobicContact CG1-CD2 4.19Å; I666-L748 HydrophobicContact CG1-CG 4.47Å; I666-L748 HydrophobicContact CG2-CD1 4.08Å
667	P	83.4	Confident	84.9	Confident	77 Å²	77	40.7 Å²	40.7	50%	0.5	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-57.1	149.4	176.3	-25.8	35.1	0	0	0	113.5	T670	P667-T670 WeakPolarHBondContact O-CB 3.45Å; P667-T670 PolarHBondContact O-N 3.46Å; P667-T670 PolarHBondContact O-OG1 2.9Å
668	E	84.9	Confident	83.9	Confident	79 Å²	79	40.8 Å²	40.8	37%	0.369	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	151.9	163.7	-68.4	-165.5	149.7	0	0	111.1	T670 I696 G698 K701	E668-T670 PolarHBondContact O-N 3Å; E668-I696 WeakPolarHBondContact CA-O 3.46Å; E668-G698 WeakPolarHBondContact OE1-CA 3.42Å; E668-G698 PolarHBondContact OE1-N 2.85Å; E668-G698 VanDerWaalsContact OE1-N 3.08Å; E668-K701 WeakPolarHBondContact OE1-CD 3.35Å; E668-K701 IonicContact OE1-NZ 2.73Å; E668-K701 PolarHBondContact OE1-NZ 2.74Å; E668-K701 IonicContact OE2-NZ 3.21Å; E668-K701 PolarHBondContact OE2-NZ 2.79Å
669	K	84.6	Confident	82.7	Confident	171 Å²	171	43.4 Å²	43.4	74%	0.743	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.1	5.3	-178.4	-46.8	178.7	-176.4	178.9	0	115.1	S671 I696	K669-S671 PolarHBondContact O-N 3.17Å; K669-I696 PolarHBondContact N-O 2.74Å
670	T	86.5	Confident	81.2	Confident	33 Å²	33	45.2 Å²	45.2	20%	0.202	24%	0.244	C	C	.	.			trans	-58.5	121.9	162	-66.4	0	0	0	0	108.5	I666 P667 E668 Y695 I696 C739	I666-T670 HydrophobicContact CG2-CG2 3.86Å; P667-T670 WeakPolarHBondContact O-CB 3.45Å; P667-T670 PolarHBondContact O-N 3.46Å; P667-T670 PolarHBondContact O-OG1 2.9Å; E668-T670 PolarHBondContact O-N 3Å; T670-Y695 WeakPolarHBondContact O-CA 3.39Å; T670-I696 PolarHBondContact O-N 2.83Å; T670-C739 HydrophobicContact CG2-CB 4.49Å
671	S	87.1	Confident	79.4	Confident	60 Å²	60	47.6 Å²	47.6	42%	0.42	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	138.4	174.5	-177.1	0	0	0	0	109.9	K669 E722	K669-S671 PolarHBondContact O-N 3.17Å; S671-E722 WeakPolarHBondContact CB-OE1 3.41Å; S671-E722 PolarHBondContact OG-OE1 3.04Å
672	C	89.6	Confident	78	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.014	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	162.9	-172.7	-61	0	0	0	0	108.5	H693 L694 L737 V738 C739	C672-H693 CarbonylContact O-C 3.53Å; C672-H693 WeakPolarHBondContact O-CA 3.32Å; C672-L694 PolarHBondContact N-O 3.41Å; C672-L694 PolarHBondContact O-N 3.08Å; C672-L694 VanDerWaalsContact O-O 3.09Å; C672-L737 HydrophobicContact CB-CD1 3.74Å; C672-L737 HydrophobicContact CB-CG 4.37Å; C672-V738 CarbonylContact C-O 3.44Å; C672-V738 VanDerWaalsContact CA-O 3.22Å; C672-V738 WeakPolarHBondContact CA-O 3.09Å; C672-V738 VanDerWaalsContact CB-O 3.23Å; C672-V738 WeakPolarHBondContact CB-O 3.47Å; C672-C739 HydrophobicContact CB-CB 4.09Å; C672-C739 WeakPolarHBondContact CB-SG 3.22Å; C672-C739 WeakPolarHBondContact SG-CB 3.23Å; C672-C739 CovalentContact SG-SG 2.03Å; C672-C739 PolarHBondContact SG-SG 2.96Å
673	S	88.5	Confident	76.5	Confident	17 Å²	17	53.8 Å²	53.8	12%	0.119	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.1	-178.1	-60.5	0	0	0	0	110.5	A692 H693 V738	S673-A692 WeakPolarHBondContact CA-O 3.13Å; S673-H693 PolarHBondContact OG-CE1 3.18Å; S673-H693 PolarHBondContact OG-ND1 3.31Å; S673-V738 PolarHBondContact N-O 3.07Å; S673-V738 PolarHBondContact O-N 3.16Å
674	V	87.6	Confident	75.6	Confident	6 Å²	6	58.6 Å²	58.6	4%	0.036	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	145.3	163.4	-65.8	0	0	0	0	109.6	V691 A692 L694 P736 L737 I751 F766	V674-V691 WeakPolarHBondContact O-CA 3.38Å; V674-A692 HydrophobicContact CG2-CB 3.84Å; V674-A692 PolarHBondContact N-O 3.4Å; V674-A692 PolarHBondContact O-N 3.4Å; V674-L694 HydrophobicContact CG1-CD1 3.56Å; V674-L694 HydrophobicContact CG1-CG 4.36Å; V674-L694 HydrophobicContact CG2-CD1 4.15Å; V674-L694 HydrophobicContact CG2-CG 4.36Å; V674-P736 WeakPolarHBondContact CA-O 3.43Å; V674-L737 HydrophobicContact CG1-CB 4.23Å; V674-L737 HydrophobicContact CG1-CD1 3.67Å; V674-I751 HydrophobicContact CB-CD1 4.48Å; V674-F766 HydrophobicContact CG1-CE1 3.6Å; V674-F766 HydrophobicContact CG1-CZ 3.8Å
675	Y	87.1	Confident	74.9	Confident	26 Å²	26	62.2 Å²	62.2	10%	0.102	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	140	-178.1	-62.6	-89.4	0	0	0	110.5	V565 W567 M568 R690 V691 V738	V565-Y675 HydrophobicContact CG1-CD1 4.06Å; V565-Y675 HydrophobicContact CG1-CE1 3.55Å; W567-Y675 HydrophobicContact CZ2-CE2 4.09Å; M568-Y675 WeakPolarHBondContact CE-O 3.22Å; M568-Y675 VanDerWaalsContact SD-CB 3.51Å; M568-Y675 HydrophobicContact SD-CG 4.32Å; Y675-R690 WeakPolarHBondContact CA-O 3.41Å; Y675-V691 HydrophobicContact CD1-CB 3.82Å; Y675-V691 HydrophobicContact CD1-CG2 3.73Å; Y675-V691 HydrophobicContact CE1-CB 3.81Å; Y675-V691 HydrophobicContact CE1-CG2 3.39Å; Y675-V691 HydrophobicContact CG-CG2 4.44Å; Y675-V738 HydrophobicContact CD2-CB 4.41Å; Y675-V738 HydrophobicContact CD2-CG2 3.83Å; Y675-V738 HydrophobicContact CE2-CB 3.89Å; Y675-V738 HydrophobicContact CE2-CG2 3.71Å
676	G	85.1	Confident	74.4	Confident	4 Å²	4	60.5 Å²	60.5	4%	0.041	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.6	-172.5	172.5	0	0	0	0	0	114.5	R690 D732	G676-R690 PolarHBondContact N-O 3.03Å; G676-R690 VanDerWaalsContact N-O 3.16Å; G676-R690 PolarHBondContact O-N 2.91Å; G676-D732 WeakPolarHBondContact CA-OD1 3.36Å
677	W	83.3	Confident	74.3	Confident	3 Å²	3	59.8 Å²	59.8	1%	0.011	32%	0.319	C	S	.	.			trans	-115.7	22.1	-175.9	-62.3	-86.9	0	0	0	111.5	M568 H577 I610 H611 V613 Y685 L689 D732	M568-W677 HydrophobicContact CB-CH2 3.98Å; M568-W677 HydrophobicContact CE-CH2 4.43Å; M568-W677 HydrophobicContact CE-CZ3 3.95Å; H577-W677 AromaticContact CE1-CE3 3.76Å; I610-W677 HydrophobicContact CD1-CZ2 4.19Å; I610-W677 HydrophobicContact CG1-CH2 4.34Å; I610-W677 HydrophobicContact CG1-CZ2 3.77Å; H611-W677 PolarHBondContact O-NE1 3Å; V613-W677 HydrophobicContact CB-CB 4.18Å; V613-W677 HydrophobicContact CB-CG 3.88Å; V613-W677 HydrophobicContact CG2-CB 4.02Å; V613-W677 HydrophobicContact CG2-CD2 4.32Å; V613-W677 HydrophobicContact CG2-CG 3.92Å; W677-Y685 VanDerWaalsContact O-CE2 3.23Å; W677-Y685 WeakPolarHBondContact O-CE2 3.2Å; W677-Y685 PolarHBondContact O-OH 2.92Å; W677-L689 HydrophobicContact CD2-CD1 4.03Å; W677-L689 HydrophobicContact CE3-CD1 4.31Å; W677-L689 HydrophobicContact CH2-CD1 4.21Å; W677-L689 HydrophobicContact CZ2-CB 4.1Å; W677-L689 HydrophobicContact CZ2-CD1 3.9Å; W677-L689 HydrophobicContact CZ2-CD2 4.11Å; W677-L689 HydrophobicContact CZ2-CG 4.26Å; W677-L689 HydrophobicContact CZ3-CD1 4.4Å; W677-D732 PolarHBondContact N-OD1 2.93Å; W677-D732 VanDerWaalsContact N-OD1 3.15Å
678	G	71.3	Confident	74.3	Confident	7 Å²	7	59 Å²	59	7%	0.072	31%	0.31	C	S	.	.			trans	-70.7	175.3	-174	0	0	0	0	0	115.5	T680 E730 D732	G678-T680 PolarHBondContact O-N 2.87Å; G678-E730 CarbonylContact C-O 3.55Å; G678-E730 WeakPolarHBondContact CA-O 3.34Å; G678-D732 WeakPolarHBondContact CA-OD1 3.29Å; G678-D732 WeakPolarHBondContact CA-OD2 3.3Å; G678-D732 PolarHBondContact N-OD1 3.33Å
679	Y	63.9	Low	74.2	Confident	122 Å²	122	56.1 Å²	56.1	48%	0.478	30%	0.297	S	S	.	.			trans	-68.7	116.2	-173.9	-179.6	-115.4	0	0	0	112.5	G681 C729 E730	Y679-G681 VanDerWaalsContact C-N 3.34Å; Y679-G681 PolarHBondContact O-N 3.09Å; Y679-C729 VanDerWaalsContact O-CB 3.3Å; Y679-C729 WeakPolarHBondContact O-CB 3.26Å; Y679-C729 PolarHBondContact O-SG 2.95Å; Y679-C729 VanDerWaalsContact O-SG 3.39Å; Y679-E730 PolarHBondContact N-O 2.96Å
680	T	58.5	Low	74.2	Confident	51 Å²	51	53.3 Å²	53.3	31%	0.313	28%	0.282	S	S	.	.			trans	-85.4	2.2	-174.5	54.7	0	0	0	0	114.8	G678 L682	G678-T680 PolarHBondContact O-N 2.87Å; T680-L682 PolarHBondContact O-N 2.93Å
681	G	50.8	Low	74.1	Confident	50 Å²	50	55.4 Å²	55.4	52%	0.515	30%	0.295	S	S	.	.	S	Bend	trans	76.9	3.8	-174.1	0	0	0	0	0	114.9	Y679	Y679-G681 VanDerWaalsContact C-N 3.34Å; Y679-G681 PolarHBondContact O-N 3.09Å
682	L	52.6	Low	73.9	Confident	102 Å²	102	53.4 Å²	53.4	53%	0.534	28%	0.282	S	S	.	.			trans	-102.6	141.8	-178.9	-63.4	174.3	0	0	0	111.5	T680 N684	T680-L682 PolarHBondContact O-N 2.93Å; L682-N684 VanDerWaalsContact C-N 3.29Å; L682-N684 PolarHBondContact O-N 2.9Å
683	I	48.3	Very low	73.7	Confident	169 Å²	169	57.7 Å²	57.7	87%	0.867	30%	0.302	S	S	*	.	S	Bend	trans	-62	-38.2	179.9	-55.9	174.7	0	0	0	111.2
684	N	53.3	Low	73.5	Confident	144 Å²	144	57 Å²	57	77%	0.77	30%	0.297	S	S	*	.	S	Bend	trans	-96.8	91.8	175.6	-69.9	-10.9	0	0	0	109.8	L682 D686	L682-N684 VanDerWaalsContact C-N 3.29Å; L682-N684 PolarHBondContact O-N 2.9Å; N684-D686 PolarHBondContact O-N 2.99Å
685	Y	65.8	Low	73.6	Confident	80 Å²	80	60.6 Å²	60.6	31%	0.314	31%	0.31	S	S	.	.			trans	-70	118.4	170.5	176.2	-101.8	0	0	0	110.3	V613 H614 W677 G687	V613-Y685 HydrophobicContact CG1-CE1 3.95Å; H614-Y685 AromaticContact NE2-CD1 3.92Å; H614-Y685 AromaticContact NE2-CE1 3.69Å; W677-Y685 VanDerWaalsContact O-CE2 3.23Å; W677-Y685 WeakPolarHBondContact O-CE2 3.2Å; W677-Y685 PolarHBondContact O-OH 2.92Å; Y685-G687 VanDerWaalsContact CE1-CA 3.47Å
686	D	71.1	Confident	73.7	Confident	52 Å²	52	59.8 Å²	59.8	28%	0.278	31%	0.307	S	S	.	.			trans	-82	-23.5	-178.6	60.3	4.1	0	0	0	113.4	R616 N684 L688 R690	R616-D686 PolarHBondContact NH2-O 2.89Å; N684-D686 PolarHBondContact O-N 2.99Å; D686-L688 HydrophobicContact CB-CD1 4.48Å; D686-L688 HydrophobicContact CB-CG 4.27Å; D686-L688 PolarHBondContact OD1-N 2.84Å; D686-R690 IonicContact OD1-CZ 2.66Å; D686-R690 IonicContact OD1-NE 3.85Å; D686-R690 PolarHBondContact OD1-NE 2.97Å; D686-R690 IonicContact OD1-NH2 2.66Å; D686-R690 IonicContact OD2-CZ 3.03Å; D686-R690 IonicContact OD2-NE 3.61Å; D686-R690 IonicContact OD2-NH2 3.72Å; D686-R690 PolarHBondContact OD2-NH2 3.18Å
687	G	76.6	Confident	73.8	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.308	C	S	.	.			trans	79.7	11.8	179.4	0	0	0	0	0	114.8	D612 V613 Y685	D612-G687 WeakPolarHBondContact CA-O 3.45Å; V613-G687 WeakPolarHBondContact CB-O 3.42Å; V613-G687 WeakPolarHBondContact CG1-O 3.34Å; V613-G687 PolarHBondContact N-O 2.89Å; Y685-G687 VanDerWaalsContact CE1-CA 3.47Å
688	L	84.3	Confident	73.9	Confident	61 Å²	61	61.1 Å²	61.1	32%	0.319	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-88.4	143.6	-176.8	-58.4	179.6	0	0	0	112.2	D612 D686 R690	D612-L688 HydrophobicContact CB-CD2 4.09Å; D686-L688 HydrophobicContact CB-CD1 4.48Å; D686-L688 HydrophobicContact CB-CG 4.27Å; D686-L688 PolarHBondContact OD1-N 2.84Å; L688-R690 WeakPolarHBondContact O-CG 3.38Å; L688-R690 PolarHBondContact O-N 3.12Å
689	L	83.6	Confident	74.5	Confident	18 Å²	18	62.8 Å²	62.8	9%	0.094	33%	0.326	C	S	.	.			trans	-62.7	119.3	175.9	178.7	58.4	0	0	0	110.1	V565 M568 H611 W677	V565-L689 HydrophobicContact CG2-CD2 3.68Å; M568-L689 HydrophobicContact CB-CD2 4.33Å; M568-L689 HydrophobicContact CE-CD1 4.17Å; M568-L689 HydrophobicContact CG-CD1 4.45Å; M568-L689 HydrophobicContact CG-CD2 4.22Å; H611-L689 PolarHBondContact CE1-O 3.45Å; H611-L689 PolarHBondContact O-N 3.15Å; W677-L689 HydrophobicContact CD2-CD1 4.03Å; W677-L689 HydrophobicContact CE3-CD1 4.31Å; W677-L689 HydrophobicContact CH2-CD1 4.21Å; W677-L689 HydrophobicContact CZ2-CB 4.1Å; W677-L689 HydrophobicContact CZ2-CD1 3.9Å; W677-L689 HydrophobicContact CZ2-CD2 4.11Å; W677-L689 HydrophobicContact CZ2-CG 4.26Å; W677-L689 HydrophobicContact CZ3-CD1 4.4Å
690	R	83.4	Confident	75.4	Confident	113 Å²	113	64.3 Å²	64.3	43%	0.426	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	159.7	-176.7	-75.6	157.6	172.4	-85.5	-3.2	111.1	Y675 G676 D686 L688	Y675-R690 WeakPolarHBondContact CA-O 3.41Å; G676-R690 PolarHBondContact N-O 3.03Å; G676-R690 VanDerWaalsContact N-O 3.16Å; G676-R690 PolarHBondContact O-N 2.91Å; D686-R690 IonicContact OD1-CZ 2.66Å; D686-R690 IonicContact OD1-NE 3.85Å; D686-R690 PolarHBondContact OD1-NE 2.97Å; D686-R690 IonicContact OD1-NH2 2.66Å; D686-R690 IonicContact OD2-CZ 3.03Å; D686-R690 IonicContact OD2-NE 3.61Å; D686-R690 IonicContact OD2-NH2 3.72Å; D686-R690 PolarHBondContact OD2-NH2 3.18Å; L688-R690 WeakPolarHBondContact O-CG 3.38Å; L688-R690 PolarHBondContact O-N 3.12Å
691	V	85.4	Confident	76.6	Confident	77 Å²	77	66.1 Å²	66.1	47%	0.467	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140.1	178.4	62.1	0	0	0	0	109.9	V674 Y675	V674-V691 WeakPolarHBondContact O-CA 3.38Å; Y675-V691 HydrophobicContact CD1-CB 3.82Å; Y675-V691 HydrophobicContact CD1-CG2 3.73Å; Y675-V691 HydrophobicContact CE1-CB 3.81Å; Y675-V691 HydrophobicContact CE1-CG2 3.39Å; Y675-V691 HydrophobicContact CG-CG2 4.44Å
692	A	82.4	Confident	78.3	Confident	18 Å²	18	63.8 Å²	63.8	15%	0.149	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	136.8	171.4	0	0	0	0	0	110.8	S673 V674	S673-A692 WeakPolarHBondContact CA-O 3.13Å; V674-A692 HydrophobicContact CG2-CB 3.84Å; V674-A692 PolarHBondContact N-O 3.4Å; V674-A692 PolarHBondContact O-N 3.4Å
693	H	84.3	Confident	79.8	Confident	92 Å²	92	60.2 Å²	60.2	43%	0.426	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	128.8	180	-56.7	-51.9	0	0	0	111.2	C672 S673 E722	C672-H693 CarbonylContact O-C 3.53Å; C672-H693 WeakPolarHBondContact O-CA 3.32Å; S673-H693 PolarHBondContact OG-CE1 3.18Å; S673-H693 PolarHBondContact OG-ND1 3.31Å; H693-E722 HydrophobicContact CB-CG 4.3Å; H693-E722 WeakPolarHBondContact CB-OE2 3.44Å; H693-E722 WeakPolarHBondContact O-CB 3.46Å; H693-E722 PolarHBondContact O-N 3.47Å; H693-E722 VanDerWaalsContact O-N 3.17Å
694	L	86	Confident	81.5	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.016	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	149.6	-178.7	-49.5	-177.5	0	0	0	109.4	C672 V674 A719 G720 A721 L737 F766	C672-L694 PolarHBondContact N-O 3.41Å; C672-L694 PolarHBondContact O-N 3.08Å; C672-L694 VanDerWaalsContact O-O 3.09Å; V674-L694 HydrophobicContact CG1-CD1 3.56Å; V674-L694 HydrophobicContact CG1-CG 4.36Å; V674-L694 HydrophobicContact CG2-CD1 4.15Å; V674-L694 HydrophobicContact CG2-CG 4.36Å; L694-A719 HydrophobicContact CB-CB 3.83Å; L694-A719 HydrophobicContact CD1-CB 4.03Å; L694-G720 CarbonylContact C-O 3.45Å; L694-G720 WeakPolarHBondContact CA-O 3.4Å; L694-G720 WeakPolarHBondContact CB-O 3.39Å; L694-A721 HydrophobicContact CD2-CB 3.88Å; L694-L737 HydrophobicContact CD1-CD1 4.2Å; L694-F766 HydrophobicContact CD1-CE2 4.18Å; L694-F766 HydrophobicContact CD1-CZ 3.61Å
695	Y	87.9	Confident	82.8	Confident	80 Å²	80	56 Å²	56	31%	0.314	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	139.5	174.5	60.2	-94	0	0	0	111.5	T670 M697 A719 G720 A721 E722	T670-Y695 WeakPolarHBondContact O-CA 3.39Å; Y695-M697 HydrophobicContact CE2-CE 3.77Å; Y695-A719 CarbonylContact O-C 3.6Å; Y695-A719 WeakPolarHBondContact O-CA 3.4Å; Y695-G720 WeakPolarHBondContact CD1-O 3.33Å; Y695-G720 WeakPolarHBondContact CE1-O 3.41Å; Y695-G720 PolarHBondContact N-O 3.29Å; Y695-G720 PolarHBondContact O-N 2.96Å; Y695-A721 WeakPolarHBondContact CE1-O 3.06Å; Y695-E722 HydrophobicContact CD1-CG 4.11Å
696	I	89.9	Confident	83.4	Confident	9 Å²	9	52.8 Å²	52.8	5%	0.046	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	134.9	177.1	-60.6	-54.9	0	0	0	111.3	I666 E668 K669 T670 I717 A719 L737	I666-I696 HydrophobicContact CG2-CB 4.37Å; I666-I696 HydrophobicContact CG2-CG1 3.87Å; I666-I696 HydrophobicContact CG2-CG2 4.4Å; E668-I696 WeakPolarHBondContact CA-O 3.46Å; K669-I696 PolarHBondContact N-O 2.74Å; T670-I696 PolarHBondContact O-N 2.83Å; I696-I717 HydrophobicContact CD1-CD1 4.01Å; I696-I717 HydrophobicContact CD1-CG1 4.4Å; I696-I717 HydrophobicContact CG2-CD1 4.47Å; I696-A719 HydrophobicContact CD1-CB 4.24Å; I696-L737 HydrophobicContact CD1-CD2 4.05Å
697	M	87.4	Confident	83.7	Confident	13 Å²	13	61 Å²	61	6%	0.064	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	134.5	-179	-175	-175.2	-65.3	0	0	110.3	Y695 K701 C702 C718 P763	Y695-M697 HydrophobicContact CE2-CE 3.77Å; M697-K701 HydrophobicContact CG-CB 3.71Å; M697-K701 HydrophobicContact SD-CB 3.89Å; M697-C702 HydrophobicContact SD-CB 4.27Å; M697-C718 PolarHBondContact N-O 3.27Å; M697-P763 HydrophobicContact CE-CB 4.25Å; M697-P763 HydrophobicContact CE-CG 4.41Å; M697-P763 HydrophobicContact SD-CB 4.34Å; M697-P763 HydrophobicContact SD-CG 4.1Å
698	G	85.5	Confident	83.4	Confident	22 Å²	22	63.4 Å²	63.4	23%	0.227	31%	0.312	C	S	.	.			trans	-65.2	148.6	176.7	0	0	0	0	0	113.4	E668 E700 K701 C702	E668-G698 WeakPolarHBondContact OE1-CA 3.42Å; E668-G698 PolarHBondContact OE1-N 2.85Å; E668-G698 VanDerWaalsContact OE1-N 3.08Å; G698-E700 VanDerWaalsContact C-N 3.28Å; G698-E700 PolarHBondContact O-N 2.92Å; G698-E700 VanDerWaalsContact O-N 3.16Å; G698-K701 PolarHBondContact O-N 2.84Å; G698-K701 VanDerWaalsContact O-N 3.1Å; G698-C702 PolarHBondContact O-N 2.03Å
699	N	83.9	Confident	82.5	Confident	43 Å²	43	69.5 Å²	69.5	23%	0.23	34%	0.336	C	S	.	.	H	α-helix	trans	-52	-40.1	-173.7	-72	35.2	0	0	0	113.6	C702 S703 L712 N713 R768	N699-C702 WeakPolarHBondContact O-CB 3.49Å; N699-C702 PolarHBondContact O-N 2.98Å; N699-S703 PolarHBondContact O-N 3.43Å; N699-L712 HydrophobicContact CB-CB 4.02Å; N699-L712 WeakPolarHBondContact ND2-CB 3.5Å; N699-L712 PolarHBondContact ND2-O 3.19Å; N699-L712 VanDerWaalsContact ND2-O 3.15Å; N699-N713 PolarHBondContact ND2-O 3.45Å; N699-R768 PolarHBondContact OD1-NH2 2.99Å
700	E	82	Confident	81.9	Confident	153 Å²	153	70.1 Å²	70.1	72%	0.715	34%	0.341	S	S	*	.	H	α-helix	trans	-61	-51.2	177.4	-63.2	-179.2	172.3	0	0	112.5	G698 C702 S703 Q704	G698-E700 VanDerWaalsContact C-N 3.28Å; G698-E700 PolarHBondContact O-N 2.92Å; G698-E700 VanDerWaalsContact O-N 3.16Å; E700-C702 VanDerWaalsContact C-N 3.26Å; E700-C702 PolarHBondContact O-N 2.88Å; E700-S703 WeakPolarHBondContact O-CB 3.32Å; E700-S703 PolarHBondContact O-N 3.05Å; E700-Q704 WeakPolarHBondContact O-CG 3.15Å; E700-Q704 PolarHBondContact O-N 2.81Å
701	K	84.9	Confident	81.3	Confident	90 Å²	90	70.9 Å²	70.9	39%	0.391	36%	0.358	S	S	.	.	H	α-helix	trans	-64.3	-35.8	178.9	-68.8	172.5	-171.1	136.9	0	110.8	E668 M697 G698 Q704 H705	E668-K701 WeakPolarHBondContact OE1-CD 3.35Å; E668-K701 IonicContact OE1-NZ 2.73Å; E668-K701 PolarHBondContact OE1-NZ 2.74Å; E668-K701 IonicContact OE2-NZ 3.21Å; E668-K701 PolarHBondContact OE2-NZ 2.79Å; M697-K701 HydrophobicContact CG-CB 3.71Å; M697-K701 HydrophobicContact SD-CB 3.89Å; G698-K701 PolarHBondContact O-N 2.84Å; G698-K701 VanDerWaalsContact O-N 3.1Å; K701-Q704 PolarHBondContact O-N 3.36Å; K701-H705 PolarHBondContact O-N 2.89Å; K701-H705 VanDerWaalsContact O-N 3.11Å; K701-H705 PolarHBondContact O-ND1 3.42Å
702	C	85.4	Confident	80.7	Confident	0 Å²	0	68 Å²	68	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-60.8	-53.9	172.4	-164.9	0	0	0	0	110.4	M697 G698 N699 E700 Q704 H705 H706 L712 C718	M697-C702 HydrophobicContact SD-CB 4.27Å; G698-C702 PolarHBondContact O-N 2.03Å; N699-C702 WeakPolarHBondContact O-CB 3.49Å; N699-C702 PolarHBondContact O-N 2.98Å; E700-C702 VanDerWaalsContact C-N 3.26Å; E700-C702 PolarHBondContact O-N 2.88Å; C702-Q704 VanDerWaalsContact C-N 3.25Å; C702-Q704 PolarHBondContact O-N 3.2Å; C702-H705 PolarHBondContact O-N 2.85Å; C702-H706 PolarHBondContact O-CD2 3.48Å; C702-H706 VanDerWaalsContact O-CD2 3.22Å; C702-H706 PolarHBondContact O-N 2.9Å; C702-L712 HydrophobicContact CB-CD1 3.94Å; C702-L712 HydrophobicContact CB-CD2 4.02Å; C702-L712 VanDerWaalsContact SG-CD2 3.55Å; C702-C718 HydrophobicContact CB-CB 3.58Å; C702-C718 WeakPolarHBondContact CB-SG 3.28Å; C702-C718 WeakPolarHBondContact SG-CB 3.45Å; C702-C718 CovalentContact SG-SG 2.03Å; C702-C718 PolarHBondContact SG-SG 2.92Å
703	S	84.2	Confident	80.4	Confident	27 Å²	27	70.7 Å²	70.7	19%	0.189	35%	0.352	C	S	.	.	H	α-helix	trans	-54.6	-39	176.9	-169.7	0	0	0	0	113.1	N699 E700 H706 R707 G708 V710	N699-S703 PolarHBondContact O-N 3.43Å; E700-S703 WeakPolarHBondContact O-CB 3.32Å; E700-S703 PolarHBondContact O-N 3.05Å; S703-H706 CarbonylContact O-C 3.51Å; S703-H706 VanDerWaalsContact O-C 3.27Å; S703-H706 WeakPolarHBondContact O-CA 3.5Å; S703-H706 PolarHBondContact O-N 3.47Å; S703-H706 VanDerWaalsContact O-N 3.15Å; S703-R707 PolarHBondContact O-N 3Å; S703-R707 VanDerWaalsContact O-N 3.13Å; S703-G708 PolarHBondContact O-N 3.47Å; S703-V710 WeakPolarHBondContact CB-O 3.47Å; S703-V710 PolarHBondContact OG-O 3.09Å
704	Q	83.8	Confident	80.1	Confident	133 Å²	133	68.9 Å²	68.9	62%	0.621	34%	0.344	S	S	*	.	H	α-helix	trans	-61.1	-44.9	173.6	-69.1	166.2	11.1	0	0	112.8	E700 K701 C702 H706 R707	E700-Q704 WeakPolarHBondContact O-CG 3.15Å; E700-Q704 PolarHBondContact O-N 2.81Å; K701-Q704 PolarHBondContact O-N 3.36Å; C702-Q704 VanDerWaalsContact C-N 3.25Å; C702-Q704 PolarHBondContact O-N 3.2Å; Q704-H706 VanDerWaalsContact C-N 3.25Å; Q704-H706 PolarHBondContact O-N 3.28Å; Q704-R707 WeakPolarHBondContact O-CA 3.35Å; Q704-R707 PolarHBondContact O-N 2.88Å
705	H	81	Confident	80.1	Confident	92 Å²	92	69.4 Å²	69.4	43%	0.426	35%	0.347	S	S	.	.	H	α-helix	trans	-63.7	-32.4	173.4	-72.7	77.7	0	0	0	112.1	K701 C702 R707 P763	K701-H705 PolarHBondContact O-N 2.89Å; K701-H705 VanDerWaalsContact O-N 3.11Å; K701-H705 PolarHBondContact O-ND1 3.42Å; C702-H705 PolarHBondContact O-N 2.85Å; H705-R707 PolarHBondContact O-N 2.88Å; H705-P763 VanDerWaalsContact CB-CD 3.47Å; H705-P763 HydrophobicContact CB-CG 3.99Å
706	H	78.8	Confident	80.1	Confident	12 Å²	12	66.3 Å²	66.3	6%	0.056	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	11.5	171.1	-71.9	-103	0	0	0	113.7	C702 S703 Q704 G708 K709 V710 R762	C702-H706 PolarHBondContact O-CD2 3.48Å; C702-H706 VanDerWaalsContact O-CD2 3.22Å; C702-H706 PolarHBondContact O-N 2.9Å; S703-H706 CarbonylContact O-C 3.51Å; S703-H706 VanDerWaalsContact O-C 3.27Å; S703-H706 WeakPolarHBondContact O-CA 3.5Å; S703-H706 PolarHBondContact O-N 3.47Å; S703-H706 VanDerWaalsContact O-N 3.15Å; Q704-H706 VanDerWaalsContact C-N 3.25Å; Q704-H706 PolarHBondContact O-N 3.28Å; H706-G708 PolarHBondContact O-N 3.04Å; H706-K709 WeakPolarHBondContact O-CB 3.39Å; H706-K709 PolarHBondContact O-N 3.37Å; H706-V710 HydrophobicContact CB-CB 3.86Å; H706-V710 HydrophobicContact CB-CG2 3.88Å; H706-V710 WeakPolarHBondContact CE1-CG2 3.41Å; H706-R762 PolarHBondContact CE1-NH2 2.96Å; H706-R762 PolarHBondContact ND1-NE 2.95Å; H706-R762 VanDerWaalsContact NE2-CZ 3.31Å; H706-R762 PolarHBondContact NE2-NE 3.49Å; H706-R762 VanDerWaalsContact NE2-NE 3.14Å; H706-R762 PolarHBondContact NE2-NH2 3.5Å
707	R	78.2	Confident	80	Confident	224 Å²	224	66.2 Å²	66.2	85%	0.845	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	33.5	179.8	-52.1	-175.4	-173.6	-178.2	2.4	113.8	S703 Q704 H705 K709	S703-R707 PolarHBondContact O-N 3Å; S703-R707 VanDerWaalsContact O-N 3.13Å; Q704-R707 WeakPolarHBondContact O-CA 3.35Å; Q704-R707 PolarHBondContact O-N 2.88Å; H705-R707 PolarHBondContact O-N 2.88Å; R707-K709 PolarHBondContact O-N 2.87Å
708	G	69.6	Low	80.1	Confident	52 Å²	52	65.6 Å²	65.6	54%	0.536	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	3.5	-175.8	0	0	0	0	0	114.9	S703 H706 V710	S703-G708 PolarHBondContact O-N 3.47Å; H706-G708 PolarHBondContact O-N 3.04Å; G708-V710 VanDerWaalsContact C-N 3.26Å; G708-V710 PolarHBondContact O-N 3.4Å
709	K	66	Low	80.2	Confident	188 Å²	188	64.6 Å²	64.6	82%	0.817	32%	0.322	S	S	*	.	S	Bend	trans	-80.8	-3.4	178.8	-62.7	-166.5	172.7	-165.5	0	114	H706 R707	H706-K709 WeakPolarHBondContact O-CB 3.39Å; H706-K709 PolarHBondContact O-N 3.37Å; R707-K709 PolarHBondContact O-N 2.87Å
710	V	69.3	Low	80.2	Confident	32 Å²	32	62.6 Å²	62.6	19%	0.194	31%	0.312	C	S	.	.			trans	-135.4	118.3	177.7	-176.2	0	0	0	0	108.4	S703 H706 G708 L712 I765	S703-V710 WeakPolarHBondContact CB-O 3.47Å; S703-V710 PolarHBondContact OG-O 3.09Å; H706-V710 HydrophobicContact CB-CB 3.86Å; H706-V710 HydrophobicContact CB-CG2 3.88Å; H706-V710 WeakPolarHBondContact CE1-CG2 3.41Å; G708-V710 VanDerWaalsContact C-N 3.26Å; G708-V710 PolarHBondContact O-N 3.4Å; V710-L712 HydrophobicContact CG1-CD1 3.97Å; V710-L712 HydrophobicContact CG1-CG 4.44Å; V710-I765 HydrophobicContact CG1-CD1 3.81Å
711	T	71.3	Confident	79.9	Confident	129 Å²	129	57 Å²	57	79%	0.791	29%	0.291	S	S	*	.			trans	-96.2	110.2	170.9	-55.2	0	0	0	0	107.5
712	L	73	Confident	79.2	Confident	17 Å²	17	57.3 Å²	57.3	9%	0.089	29%	0.294	C	S	.	.			trans	-83.7	126.6	179.7	-73.8	85.2	0	0	0	110.7	N699 C702 V710 E716 C718 I765	N699-L712 HydrophobicContact CB-CB 4.02Å; N699-L712 WeakPolarHBondContact ND2-CB 3.5Å; N699-L712 PolarHBondContact ND2-O 3.19Å; N699-L712 VanDerWaalsContact ND2-O 3.15Å; C702-L712 HydrophobicContact CB-CD1 3.94Å; C702-L712 HydrophobicContact CB-CD2 4.02Å; C702-L712 VanDerWaalsContact SG-CD2 3.55Å; V710-L712 HydrophobicContact CG1-CD1 3.97Å; V710-L712 HydrophobicContact CG1-CG 4.44Å; L712-E716 WeakPolarHBondContact CA-OE2 3.48Å; L712-E716 HydrophobicContact CD2-CB 4.39Å; L712-C718 HydrophobicContact CD2-CB 3.74Å; L712-I765 HydrophobicContact CD1-CD1 4.01Å; L712-I765 HydrophobicContact CD2-CD1 3.97Å; L712-I765 HydrophobicContact CD2-CG1 4.05Å; L712-I765 HydrophobicContact CD2-CG2 3.78Å; L712-I765 HydrophobicContact CG-CD1 3.98Å; L712-I765 HydrophobicContact CG-CG2 4.39Å
713	N	76.6	Confident	78.2	Confident	73 Å²	73	64.9 Å²	64.9	39%	0.39	33%	0.327	S	S	.	.			trans	-85.7	-179.3	175.5	67.9	16	0	0	0	112.1	N699 S715 E716	N699-N713 PolarHBondContact ND2-O 3.45Å; N713-S715 VanDerWaalsContact C-N 3.3Å; N713-S715 VanDerWaalsContact CG-OG 3.31Å; N713-S715 PolarHBondContact ND2-OG 3.39Å; N713-S715 PolarHBondContact O-N 2.81Å; N713-S715 PolarHBondContact OD1-N 2.78Å; N713-S715 VanDerWaalsContact OD1-N 3.14Å; N713-S715 PolarHBondContact OD1-OG 2.81Å; N713-E716 PolarHBondContact N-OE2 2.89Å; N713-E716 PolarHBondContact O-N 3.38Å; N713-E716 WeakPolarHBondContact OD1-CG 3.48Å; N713-E716 PolarHBondContact OD1-N 2.91Å; N713-E716 VanDerWaalsContact OD1-N 3.14Å
714	E	78.1	Confident	77.3	Confident	55 Å²	55	70 Å²	70	26%	0.257	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-26	178.9	-71.3	177.7	168.9	0	0	113.5	T536 I537 E716 R768 Y771	T536-E714 WeakPolarHBondContact CB-OE2 3.37Å; T536-E714 HydrophobicContact CG2-CB 4.14Å; T536-E714 HydrophobicContact CG2-CG 3.86Å; T536-E714 WeakPolarHBondContact CG2-OE2 3.35Å; I537-E714 VanDerWaalsContact N-CD 3.32Å; I537-E714 PolarHBondContact N-OE1 2.95Å; I537-E714 VanDerWaalsContact N-OE1 3.14Å; I537-E714 PolarHBondContact N-OE2 2.86Å; E714-E716 PolarHBondContact O-N 3.32Å; E714-R768 WeakPolarHBondContact O-CD 3.48Å; E714-R768 PolarHBondContact O-NE 3.44Å; E714-Y771 HydrophobicContact CB-CD2 4.12Å; E714-Y771 HydrophobicContact CB-CE2 3.91Å
715	S	85.3	Confident	76.3	Confident	14 Å²	14	65.8 Å²	65.8	10%	0.098	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-1.9	178.5	66.5	0	0	0	0	113.7	N713 R768 Y772	N713-S715 VanDerWaalsContact C-N 3.3Å; N713-S715 VanDerWaalsContact CG-OG 3.31Å; N713-S715 PolarHBondContact ND2-OG 3.39Å; N713-S715 PolarHBondContact O-N 2.81Å; N713-S715 PolarHBondContact OD1-N 2.78Å; N713-S715 VanDerWaalsContact OD1-N 3.14Å; N713-S715 PolarHBondContact OD1-OG 2.81Å; S715-R768 WeakPolarHBondContact O-CB 3.25Å; S715-R768 PolarHBondContact O-N 2.93Å; S715-Y772 WeakPolarHBondContact CB-OH 3.45Å; S715-Y772 PolarHBondContact OG-OH 3.35Å
716	E	87.9	Confident	75.6	Confident	14 Å²	14	63.4 Å²	63.4	7%	0.065	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	149.6	173.9	-73.5	179.9	121.9	0	0	111.9	L712 N713 E714 R755 I765 F766 R768	L712-E716 WeakPolarHBondContact CA-OE2 3.48Å; L712-E716 HydrophobicContact CD2-CB 4.39Å; N713-E716 PolarHBondContact N-OE2 2.89Å; N713-E716 PolarHBondContact O-N 3.38Å; N713-E716 WeakPolarHBondContact OD1-CG 3.48Å; N713-E716 PolarHBondContact OD1-N 2.91Å; N713-E716 VanDerWaalsContact OD1-N 3.14Å; E714-E716 PolarHBondContact O-N 3.32Å; E716-R755 WeakPolarHBondContact OE1-CD 3.4Å; E716-R755 IonicContact OE1-CZ 3.59Å; E716-R755 IonicContact OE1-NE 3.68Å; E716-R755 IonicContact OE1-NH1 2.72Å; E716-R755 PolarHBondContact OE1-NH1 3.01Å; E716-R755 IonicContact OE2-NH1 3.35Å; E716-I765 HydrophobicContact CB-CG2 3.81Å; E716-I765 HydrophobicContact CG-CG2 3.95Å; E716-I765 WeakPolarHBondContact OE1-CG2 3.2Å; E716-F766 CarbonylContact C-O 3.4Å; E716-F766 WeakPolarHBondContact CA-O 3.45Å; E716-R768 VanDerWaalsContact O-CZ 3.27Å; E716-R768 PolarHBondContact O-NE 2.95Å; E716-R768 PolarHBondContact O-NH2 3.24Å
717	I	88.8	Confident	74.9	Confident	7 Å²	7	63.9 Å²	63.9	4%	0.036	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	142.9	169.9	-170.2	171.1	0	0	0	109.4	I696 L748 F766 R768	I696-I717 HydrophobicContact CD1-CD1 4.01Å; I696-I717 HydrophobicContact CD1-CG1 4.4Å; I696-I717 HydrophobicContact CG2-CD1 4.47Å; I717-L748 HydrophobicContact CD1-CB 4.41Å; I717-L748 HydrophobicContact CD1-CD1 4.1Å; I717-F766 HydrophobicContact CG2-CB 3.93Å; I717-F766 PolarHBondContact N-O 2.81Å; I717-F766 PolarHBondContact O-N 3.04Å; I717-R768 HydrophobicContact CB-CB 4.13Å; I717-R768 HydrophobicContact CB-CG 4.25Å; I717-R768 HydrophobicContact CG2-CB 4.24Å
718	C	88.7	Confident	74.4	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.6	-173.7	-174	0	0	0	0	111.6	M697 C702 L712 P763 G764	M697-C718 PolarHBondContact N-O 3.27Å; C702-C718 HydrophobicContact CB-CB 3.58Å; C702-C718 WeakPolarHBondContact CB-SG 3.28Å; C702-C718 WeakPolarHBondContact SG-CB 3.45Å; C702-C718 CovalentContact SG-SG 2.03Å; C702-C718 PolarHBondContact SG-SG 2.92Å; L712-C718 HydrophobicContact CD2-CB 3.74Å; C718-P763 VanDerWaalsContact SG-CB 3.54Å; C718-P763 VanDerWaalsContact SG-CG 3.56Å; C718-G764 WeakPolarHBondContact CA-O 3.28Å
719	A	88.1	Confident	74.3	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.008	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	129.7	178.1	0	0	0	0	0	111.9	L694 Y695 I696 L737 P763 G764 F766	L694-A719 HydrophobicContact CB-CB 3.83Å; L694-A719 HydrophobicContact CD1-CB 4.03Å; Y695-A719 CarbonylContact O-C 3.6Å; Y695-A719 WeakPolarHBondContact O-CA 3.4Å; I696-A719 HydrophobicContact CD1-CB 4.24Å; A719-L737 HydrophobicContact CB-CD2 4.24Å; A719-P763 WeakPolarHBondContact O-CA 3.07Å; A719-P763 WeakPolarHBondContact O-CB 3.39Å; A719-G764 PolarHBondContact N-O 2.75Å; A719-G764 PolarHBondContact O-N 3.34Å; A719-F766 HydrophobicContact CB-CE2 3.88Å
720	G	83.4	Confident	74.1	Confident	2 Å²	2	49.1 Å²	49.1	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	149.9	176.4	0	0	0	0	0	111.8	L694 Y695	L694-G720 CarbonylContact C-O 3.45Å; L694-G720 WeakPolarHBondContact CA-O 3.4Å; L694-G720 WeakPolarHBondContact CB-O 3.39Å; Y695-G720 WeakPolarHBondContact CD1-O 3.33Å; Y695-G720 WeakPolarHBondContact CE1-O 3.41Å; Y695-G720 PolarHBondContact N-O 3.29Å; Y695-G720 PolarHBondContact O-N 2.96Å
721	A	76.4	Confident	73.8	Confident	35 Å²	35	48.4 Å²	48.4	29%	0.289	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	134.9	-178.9	0	0	0	0	0	112.9	L694 Y695 K723 S726	L694-A721 HydrophobicContact CD2-CB 3.88Å; Y695-A721 WeakPolarHBondContact CE1-O 3.06Å; A721-K723 VanDerWaalsContact CB-O 3.28Å; A721-K723 WeakPolarHBondContact CB-O 3.44Å; A721-K723 PolarHBondContact O-N 2.95Å; A721-S726 WeakPolarHBondContact CB-O 3.23Å
722	E	68.8	Low	73.9	Confident	97 Å²	97	43 Å²	43	45%	0.453	24%	0.243	S	C	.	.	S	Bend	trans	-70	-23	172.9	-67.2	-178.3	-172.1	0	0	112.4	S671 H693 Y695	S671-E722 WeakPolarHBondContact CB-OE1 3.41Å; S671-E722 PolarHBondContact OG-OE1 3.04Å; H693-E722 HydrophobicContact CB-CG 4.3Å; H693-E722 WeakPolarHBondContact CB-OE2 3.44Å; H693-E722 WeakPolarHBondContact O-CB 3.46Å; H693-E722 PolarHBondContact O-N 3.47Å; H693-E722 VanDerWaalsContact O-N 3.17Å; Y695-E722 HydrophobicContact CD1-CG 4.11Å
723	K	65.9	Low	74.4	Confident	158 Å²	158	43.8 Å²	43.8	69%	0.687	25%	0.245	S	C	*	.	S	Bend	trans	-126	136	174.4	-66.7	-179.8	-176.7	176.9	0	110.1	A721 G725 S726	A721-K723 VanDerWaalsContact CB-O 3.28Å; A721-K723 WeakPolarHBondContact CB-O 3.44Å; A721-K723 PolarHBondContact O-N 2.95Å; K723-G725 PolarHBondContact O-N 3.18Å; K723-S726 WeakPolarHBondContact O-CB 3.3Å; K723-S726 PolarHBondContact O-N 2.83Å; K723-S726 VanDerWaalsContact O-N 3.1Å
724	I	65.3	Low	74.8	Confident	135 Å²	135	40.3 Å²	40.3	69%	0.692	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	131	179.4	-57.9	175.4	0	0	0	109.5	S726 P760	I724-S726 VanDerWaalsContact C-N 3.29Å; I724-S726 PolarHBondContact O-N 3.46Å; I724-P760 HydrophobicContact CG2-CB 3.93Å; I724-P760 HydrophobicContact CG2-CG 4.45Å
725	G	62.4	Low	75.4	Confident	44 Å²	44	37.7 Å²	37.7	45%	0.454	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	7	-179.2	0	0	0	0	0	115.4	K723	K723-G725 PolarHBondContact O-N 3.18Å
726	S	65.9	Low	75.8	Confident	43 Å²	43	37 Å²	37	30%	0.301	21%	0.21	S	C	.	.			trans	-96	144.5	171.8	-58.4	0	0	0	0	111.5	A721 K723 I724	A721-S726 WeakPolarHBondContact CB-O 3.23Å; K723-S726 WeakPolarHBondContact O-CB 3.3Å; K723-S726 PolarHBondContact O-N 2.83Å; K723-S726 VanDerWaalsContact O-N 3.1Å; I724-S726 VanDerWaalsContact C-N 3.29Å; I724-S726 PolarHBondContact O-N 3.46Å
727	G	64.8	Low	76	Confident	21 Å²	21	36.4 Å²	36.4	22%	0.216	21%	0.206	C	C	.	.	S	Bend	trans	153.5	-176.5	-179.6	0	0	0	0	0	111.2
728	P	66.6	Low	76.2	Confident	3 Å²	3	36.3 Å²	36.3	2%	0.019	21%	0.206	C	C	.	.			trans	-77.5	162.9	176.2	33.8	-32.2	0	0	0	111.4	D732 I751 G756 C757 A758 F766	P728-D732 WeakPolarHBondContact CA-OD2 3.48Å; P728-D732 HydrophobicContact CB-CB 3.89Å; P728-I751 HydrophobicContact CB-CD1 3.66Å; P728-I751 HydrophobicContact CB-CG1 4.1Å; P728-I751 HydrophobicContact CB-CG2 3.91Å; P728-I751 HydrophobicContact CG-CD1 4.29Å; P728-I751 HydrophobicContact CG-CG1 4.26Å; P728-I751 HydrophobicContact CG-CG2 4.2Å; P728-G756 WeakPolarHBondContact CG-O 3.23Å; P728-C757 CarbonylContact O-C 3.5Å; P728-C757 VanDerWaalsContact O-CA 3.28Å; P728-C757 WeakPolarHBondContact O-CA 3.39Å; P728-A758 PolarHBondContact O-N 3.01Å; P728-F766 HydrophobicContact CG-CE1 4.06Å; P728-F766 HydrophobicContact CG-CZ 4.05Å
729	C	67	Low	76.2	Confident	27 Å²	27	36.4 Å²	36.4	18%	0.182	21%	0.207	C	C	.	.			trans	-149	-165.3	-178	-155.5	0	0	0	0	111.5	Y679 G731 D732	Y679-C729 VanDerWaalsContact O-CB 3.3Å; Y679-C729 WeakPolarHBondContact O-CB 3.26Å; Y679-C729 PolarHBondContact O-SG 2.95Å; Y679-C729 VanDerWaalsContact O-SG 3.39Å; C729-G731 PolarHBondContact O-N 2.89Å; C729-D732 PolarHBondContact N-OD2 2.84Å; C729-D732 WeakPolarHBondContact O-CB 3.48Å; C729-D732 PolarHBondContact O-N 2.86Å; C729-D732 VanDerWaalsContact O-N 3.09Å
730	E	62.7	Low	76	Confident	124 Å²	124	40.9 Å²	40.9	58%	0.579	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	128.9	174.4	-63.6	-173	167	0	0	111.2	G678 Y679 Y733	G678-E730 CarbonylContact C-O 3.55Å; G678-E730 WeakPolarHBondContact CA-O 3.34Å; Y679-E730 PolarHBondContact N-O 2.96Å; E730-Y733 HydrophobicContact CB-CE2 4.32Å; E730-Y733 HydrophobicContact CG-CE2 4.29Å
731	G	62.9	Low	75.5	Confident	18 Å²	18	43 Å²	43	19%	0.186	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.6	-24.1	-173.2	0	0	0	0	0	114.3	H577 G580 C729 Y733	H577-G731 PolarHBondContact NE2-O 2.92Å; G580-G731 PolarHBondContact N-O 3.47Å; C729-G731 PolarHBondContact O-N 2.89Å; G731-Y733 PolarHBondContact O-N 2.77Å
732	D	72.6	Confident	75.2	Confident	14 Å²	14	48.1 Å²	48.1	8%	0.075	26%	0.255	C	S	.	.			trans	-79.8	-4.4	173.1	-59.9	-52	0	0	0	113.1	G676 W677 G678 P728 C729 G734 G735 I751	G676-D732 WeakPolarHBondContact CA-OD1 3.36Å; W677-D732 PolarHBondContact N-OD1 2.93Å; W677-D732 VanDerWaalsContact N-OD1 3.15Å; G678-D732 WeakPolarHBondContact CA-OD1 3.29Å; G678-D732 WeakPolarHBondContact CA-OD2 3.3Å; G678-D732 PolarHBondContact N-OD1 3.33Å; P728-D732 WeakPolarHBondContact CA-OD2 3.48Å; P728-D732 HydrophobicContact CB-CB 3.89Å; C729-D732 PolarHBondContact N-OD2 2.84Å; C729-D732 WeakPolarHBondContact O-CB 3.48Å; C729-D732 PolarHBondContact O-N 2.86Å; C729-D732 VanDerWaalsContact O-N 3.09Å; D732-G734 PolarHBondContact O-N 2.72Å; D732-G735 WeakPolarHBondContact O-CA 3.43Å; D732-G735 PolarHBondContact O-N 2.97Å; D732-I751 HydrophobicContact CB-CD1 3.97Å; D732-I751 HydrophobicContact CB-CG2 4.4Å; D732-I751 WeakPolarHBondContact O-CB 3.22Å; D732-I751 WeakPolarHBondContact O-CD1 3.49Å
733	Y	84	Confident	75.3	Confident	35 Å²	35	52.7 Å²	52.7	14%	0.137	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	137.6	179	-57.4	-48.2	0	0	0	111.4	C579 G580 E730 G731 G735 I751 P753	C579-Y733 CarbonylContact C-O 3.6Å; C579-Y733 WeakPolarHBondContact CA-O 3.49Å; C579-Y733 WeakPolarHBondContact CB-O 2.76Å; C579-Y733 PolarHBondContact SG-O 2.79Å; C579-Y733 VanDerWaalsContact SG-O 3.36Å; G580-Y733 PolarHBondContact N-O 2.63Å; E730-Y733 HydrophobicContact CB-CE2 4.32Å; E730-Y733 HydrophobicContact CG-CE2 4.29Å; G731-Y733 PolarHBondContact O-N 2.77Å; Y733-G735 PolarHBondContact O-N 3.21Å; Y733-I751 HydrophobicContact CD1-CG2 4.01Å; Y733-P753 HydrophobicContact CD1-CB 4.45Å; Y733-P753 HydrophobicContact CD1-CG 3.87Å; Y733-P753 HydrophobicContact CD2-CG 4.12Å; Y733-P753 VanDerWaalsContact CE1-CA 3.4Å; Y733-P753 HydrophobicContact CE1-CB 4.06Å; Y733-P753 HydrophobicContact CE1-CG 3.97Å; Y733-P753 HydrophobicContact CE2-CB 4.48Å; Y733-P753 HydrophobicContact CE2-CG 4.16Å; Y733-P753 HydrophobicContact CG-CG 3.98Å
734	G	86.1	Confident	75.7	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	-12.4	-171.3	0	0	0	0	0	115.4	G580 G581 T591 D732 I751	G580-G734 CarbonylContact O-C 3.56Å; G580-G734 VanDerWaalsContact O-C 3.3Å; G580-G734 WeakPolarHBondContact O-CA 3.39Å; G581-G734 WeakPolarHBondContact CA-O 3.34Å; T591-G734 WeakPolarHBondContact OG1-CA 3.15Å; D732-G734 PolarHBondContact O-N 2.72Å; G734-I751 PolarHBondContact N-O 3.47Å
735	G	89.6	Confident	76.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.235	C	C	.	.			trans	-70	160.3	175.3	0	0	0	0	0	113.7	D732 Y733 I751	D732-G735 WeakPolarHBondContact O-CA 3.43Å; D732-G735 PolarHBondContact O-N 2.97Å; Y733-G735 PolarHBondContact O-N 3.21Å; G735-I751 WeakPolarHBondContact O-CD1 3.35Å; G735-I751 WeakPolarHBondContact O-CG1 3.1Å; G735-I751 PolarHBondContact O-N 3.2Å
736	P	93.6	Very high	78	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	143.5	-176.9	30.5	-31.7	0	0	0	114.3	M568 S582 V674 V738 V747	M568-P736 VanDerWaalsContact SD-CD 3.57Å; M568-P736 HydrophobicContact SD-CG 3.55Å; M568-P736 VanDerWaalsContact SD-CG 3.55Å; S582-P736 WeakPolarHBondContact OG-CB 3.09Å; V674-P736 WeakPolarHBondContact CA-O 3.43Å; P736-V738 HydrophobicContact CB-CG2 3.75Å; P736-V738 HydrophobicContact CG-CG2 3.95Å; P736-V747 HydrophobicContact CB-CB 4.29Å; P736-V747 HydrophobicContact CB-CG2 3.6Å
737	L	92.3	Very high	79.3	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	107.6	146.8	175.6	68.1	0	0	0	108.2	C672 V674 L694 I696 A719 L748 G749 F766	C672-L737 HydrophobicContact CB-CD1 3.74Å; C672-L737 HydrophobicContact CB-CG 4.37Å; V674-L737 HydrophobicContact CG1-CB 4.23Å; V674-L737 HydrophobicContact CG1-CD1 3.67Å; L694-L737 HydrophobicContact CD1-CD1 4.2Å; I696-L737 HydrophobicContact CD1-CD2 4.05Å; A719-L737 HydrophobicContact CB-CD2 4.24Å; L737-L748 PolarHBondContact O-N 3.44Å; L737-G749 PolarHBondContact N-O 3.43Å; L737-G749 PolarHBondContact O-N 3.45Å; L737-F766 HydrophobicContact CB-CD1 3.83Å; L737-F766 HydrophobicContact CB-CE1 3.92Å; L737-F766 HydrophobicContact CB-CG 4.38Å; L737-F766 HydrophobicContact CD1-CE1 4.49Å; L737-F766 HydrophobicContact CD1-CZ 4.41Å; L737-F766 HydrophobicContact CD2-CD1 4.28Å; L737-F766 HydrophobicContact CD2-CD2 3.98Å; L737-F766 HydrophobicContact CD2-CE1 4.44Å; L737-F766 HydrophobicContact CD2-CE2 4.2Å; L737-F766 HydrophobicContact CD2-CG 4.07Å; L737-F766 HydrophobicContact CD2-CZ 4.42Å
738	V	92.3	Very high	80.6	Confident	5 Å²	5	40.3 Å²	40.3	3%	0.03	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	134.7	179.8	-178.6	0	0	0	0	110.2	W567 I657 C672 S673 Y675 P736 R745 M746	W567-V738 HydrophobicContact CZ2-CG2 4.34Å; I657-V738 HydrophobicContact CD1-CB 4.18Å; I657-V738 HydrophobicContact CD1-CG1 3.75Å; I657-V738 HydrophobicContact CD1-CG2 3.45Å; I657-V738 VanDerWaalsContact CD1-CG2 3.45Å; C672-V738 CarbonylContact C-O 3.44Å; C672-V738 VanDerWaalsContact CA-O 3.22Å; C672-V738 WeakPolarHBondContact CA-O 3.09Å; C672-V738 VanDerWaalsContact CB-O 3.23Å; C672-V738 WeakPolarHBondContact CB-O 3.47Å; S673-V738 PolarHBondContact N-O 3.07Å; S673-V738 PolarHBondContact O-N 3.16Å; Y675-V738 HydrophobicContact CD2-CB 4.41Å; Y675-V738 HydrophobicContact CD2-CG2 3.83Å; Y675-V738 HydrophobicContact CE2-CB 3.89Å; Y675-V738 HydrophobicContact CE2-CG2 3.71Å; P736-V738 HydrophobicContact CB-CG2 3.75Å; P736-V738 HydrophobicContact CG-CG2 3.95Å; V738-R745 HydrophobicContact CG1-CB 4Å; V738-R745 HydrophobicContact CG1-CG 4.44Å; V738-M746 WeakPolarHBondContact CA-O 3.44Å
739	C	89.4	Confident	81.8	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.014	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	151.9	169	-53.5	0	0	0	0	109.7	T670 C672 M746 L748	T670-C739 HydrophobicContact CG2-CB 4.49Å; C672-C739 HydrophobicContact CB-CB 4.09Å; C672-C739 WeakPolarHBondContact CB-SG 3.22Å; C672-C739 WeakPolarHBondContact SG-CB 3.23Å; C672-C739 CovalentContact SG-SG 2.03Å; C672-C739 PolarHBondContact SG-SG 2.96Å; C739-M746 PolarHBondContact N-O 3.15Å; C739-M746 WeakPolarHBondContact O-CG 3.32Å; C739-M746 PolarHBondContact O-N 2.6Å; C739-L748 HydrophobicContact CB-CD1 3.98Å; C739-L748 HydrophobicContact CB-CG 4.21Å; C739-L748 WeakPolarHBondContact SG-CD1 3.5Å
740	E	83.5	Confident	83.1	Confident	95 Å²	95	38.9 Å²	38.9	44%	0.444	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.6	178.4	-161.7	176.8	126.2	0	0	110.3	M744 R745	E740-M744 WeakPolarHBondContact CA-O 3.41Å; E740-R745 HydrophobicContact CB-CG 4.21Å; E740-R745 HydrophobicContact CG-CG 3.82Å; E740-R745 WeakPolarHBondContact OE2-CG 3.37Å; E740-R745 IonicContact OE2-CZ 2.87Å; E740-R745 IonicContact OE2-NE 2.71Å; E740-R745 PolarHBondContact OE2-NE 2.85Å; E740-R745 IonicContact OE2-NH2 3.91Å; E740-R745 PolarHBondContact OE2-NH2 2.86Å
741	Q	72.8	Confident	84.2	Confident	47 Å²	47	33 Å²	33	22%	0.22	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	129.6	177.6	-159.8	-169.4	10.8	0	0	109.3	A548 K743 M744	A548-Q741 HydrophobicContact CB-CB 4.34Å; Q741-K743 PolarHBondContact O-N 3.17Å; Q741-M744 PolarHBondContact N-O 2.94Å; Q741-M744 PolarHBondContact O-N 2.82Å
742	H	69.7	Low	85	Confident	142 Å²	142	32.6 Å²	32.6	66%	0.657	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	34.1	-176.8	-52.6	114.4	0	0	0	114.5	M744	H742-M744 VanDerWaalsContact C-N 3.29Å; H742-M744 PolarHBondContact O-N 2.96Å
743	K	71.3	Confident	84.8	Confident	194 Å²	194	34.1 Å²	34.1	84%	0.843	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.5	10.9	-173.2	-51.3	-177.6	176.8	-176	0	116.2	Q741	Q741-K743 PolarHBondContact O-N 3.17Å
744	M	75.6	Confident	83.6	Confident	56 Å²	56	35.4 Å²	35.4	28%	0.276	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	134.3	170.4	-57.5	-157.5	-56.6	0	0	110.2	A548 K549 E740 Q741 H742	A548-M744 HydrophobicContact CB-CE 3.76Å; K549-M744 HydrophobicContact CB-CE 4.25Å; K549-M744 VanDerWaalsContact O-CE 3.23Å; K549-M744 WeakPolarHBondContact O-CE 3.4Å; E740-M744 WeakPolarHBondContact CA-O 3.41Å; Q741-M744 PolarHBondContact N-O 2.94Å; Q741-M744 PolarHBondContact O-N 2.82Å; H742-M744 VanDerWaalsContact C-N 3.29Å; H742-M744 PolarHBondContact O-N 2.96Å
745	R	85.7	Confident	82.6	Confident	79 Å²	79	41.3 Å²	41.3	30%	0.298	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.2	179.7	-72.5	-175.3	-178.7	154.5	8.9	110.2	N564 I657 D658 V738 E740	N564-R745 PolarHBondContact O-NH1 2.78Å; I657-R745 WeakPolarHBondContact CG1-O 3.45Å; D658-R745 WeakPolarHBondContact CB-O 3.17Å; D658-R745 PolarHBondContact N-O 3.41Å; V738-R745 HydrophobicContact CG1-CB 4Å; V738-R745 HydrophobicContact CG1-CG 4.44Å; E740-R745 HydrophobicContact CB-CG 4.21Å; E740-R745 HydrophobicContact CG-CG 3.82Å; E740-R745 WeakPolarHBondContact OE2-CG 3.37Å; E740-R745 IonicContact OE2-CZ 2.87Å; E740-R745 IonicContact OE2-NE 2.71Å; E740-R745 PolarHBondContact OE2-NE 2.85Å; E740-R745 IonicContact OE2-NH2 3.91Å; E740-R745 PolarHBondContact OE2-NH2 2.86Å
746	M	89.8	Confident	80.7	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	144	-168.9	53	178.3	-57.2	0	0	112.5	C547 D658 P660 V738 C739 L748	C547-M746 HydrophobicContact CB-CE 3.65Å; C547-M746 HydrophobicContact CB-SD 3.88Å; C547-M746 WeakPolarHBondContact O-CE 3.4Å; D658-M746 HydrophobicContact CB-CB 3.97Å; D658-M746 WeakPolarHBondContact O-CA 3.28Å; D658-M746 WeakPolarHBondContact O-CB 3.18Å; P660-M746 HydrophobicContact CB-CE 3.44Å; P660-M746 VanDerWaalsContact CB-CE 3.44Å; P660-M746 HydrophobicContact CG-CE 4.33Å; V738-M746 WeakPolarHBondContact CA-O 3.44Å; C739-M746 PolarHBondContact N-O 3.15Å; C739-M746 WeakPolarHBondContact O-CG 3.32Å; C739-M746 PolarHBondContact O-N 2.6Å; M746-L748 HydrophobicContact CE-CD2 3.8Å; M746-L748 PolarHBondContact O-N 3.28Å
747	V	93.4	Very high	79.3	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	109.9	-178.8	58.7	0	0	0	0	110.6	I584 L590 I657 D658 L659 P660 P736 G749 V769	I584-V747 HydrophobicContact CG2-CG1 4.28Å; L590-V747 HydrophobicContact CD2-CG1 4.3Å; I657-V747 HydrophobicContact CD1-CB 4.17Å; I657-V747 HydrophobicContact CG2-CB 4.39Å; I657-V747 HydrophobicContact CG2-CG1 4.11Å; D658-V747 PolarHBondContact O-N 2.03Å; D658-V747 VanDerWaalsContact O-N 3.09Å; L659-V747 HydrophobicContact CD2-CG1 4.23Å; P660-V747 VanDerWaalsContact CD-O 3.23Å; P660-V747 WeakPolarHBondContact CD-O 2.96Å; P736-V747 HydrophobicContact CB-CB 4.29Å; P736-V747 HydrophobicContact CB-CG2 3.6Å; V747-G749 WeakPolarHBondContact CG2-O 3.16Å; V747-V769 HydrophobicContact CG2-CG2 4.26Å; V747-V769 WeakPolarHBondContact O-CB 3.39Å
748	L	91.8	Very high	77.7	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-31.7	176.4	-73	-167.7	0	0	0	113.4	P660 I666 I717 L737 C739 M746 V769	P660-L748 HydrophobicContact CB-CD2 4.29Å; I666-L748 HydrophobicContact CB-CD1 3.88Å; I666-L748 HydrophobicContact CD1-CD1 3.9Å; I666-L748 HydrophobicContact CG1-CD1 3.53Å; I666-L748 HydrophobicContact CG1-CD2 4.19Å; I666-L748 HydrophobicContact CG1-CG 4.47Å; I666-L748 HydrophobicContact CG2-CD1 4.08Å; I717-L748 HydrophobicContact CD1-CB 4.41Å; I717-L748 HydrophobicContact CD1-CD1 4.1Å; L737-L748 PolarHBondContact O-N 3.44Å; C739-L748 HydrophobicContact CB-CD1 3.98Å; C739-L748 HydrophobicContact CB-CG 4.21Å; C739-L748 WeakPolarHBondContact SG-CD1 3.5Å; M746-L748 HydrophobicContact CE-CD2 3.8Å; M746-L748 PolarHBondContact O-N 3.28Å; L748-V769 PolarHBondContact O-N 2.74Å
749	G	92.2	Very high	76.4	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	145.9	-173.4	0	0	0	0	0	112	L737 V747 V767	L737-G749 PolarHBondContact N-O 3.43Å; L737-G749 PolarHBondContact O-N 3.45Å; V747-G749 WeakPolarHBondContact CG2-O 3.16Å; G749-V767 VanDerWaalsContact CA-O 3.26Å; G749-V767 WeakPolarHBondContact CA-O 3.06Å
750	V	92.9	Very high	75.2	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	134.2	165.1	179.9	0	0	0	0	109.1	L590 A592 L639 F766 V767 V769	L590-V750 HydrophobicContact CD2-CG2 3.77Å; L590-V750 HydrophobicContact CG-CG2 3.91Å; A592-V750 HydrophobicContact CB-CG1 4.27Å; L639-V750 HydrophobicContact CD2-CB 3.82Å; L639-V750 HydrophobicContact CD2-CG1 4.13Å; L639-V750 HydrophobicContact CD2-CG2 3.76Å; V750-F766 WeakPolarHBondContact O-CA 3.35Å; V750-V767 HydrophobicContact CB-CB 4.45Å; V750-V767 PolarHBondContact N-O 3.1Å; V750-V767 VanDerWaalsContact N-O 3.07Å; V750-V767 PolarHBondContact O-N 3.36Å; V750-V769 HydrophobicContact CG2-CG2 3.84Å
751	I	87.3	Confident	74.3	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	127.6	-178.2	-60.8	160.7	0	0	0	109.7	V674 P728 D732 Y733 G734 G735 F766	V674-I751 HydrophobicContact CB-CD1 4.48Å; P728-I751 HydrophobicContact CB-CD1 3.66Å; P728-I751 HydrophobicContact CB-CG1 4.1Å; P728-I751 HydrophobicContact CB-CG2 3.91Å; P728-I751 HydrophobicContact CG-CD1 4.29Å; P728-I751 HydrophobicContact CG-CG1 4.26Å; P728-I751 HydrophobicContact CG-CG2 4.2Å; D732-I751 HydrophobicContact CB-CD1 3.97Å; D732-I751 HydrophobicContact CB-CG2 4.4Å; D732-I751 WeakPolarHBondContact O-CB 3.22Å; D732-I751 WeakPolarHBondContact O-CD1 3.49Å; Y733-I751 HydrophobicContact CD1-CG2 4.01Å; G734-I751 PolarHBondContact N-O 3.47Å; G735-I751 WeakPolarHBondContact O-CD1 3.35Å; G735-I751 WeakPolarHBondContact O-CG1 3.1Å; G735-I751 PolarHBondContact O-N 3.2Å; I751-F766 HydrophobicContact CD1-CE1 4.46Å; I751-F766 HydrophobicContact CG1-CD1 3.72Å; I751-F766 HydrophobicContact CG1-CE1 3.59Å
752	V	80.1	Confident	74.5	Confident	9 Å²	9	55.5 Å²	55.5	6%	0.055	29%	0.288	C	S	.	.			trans	-129.2	153	180	-70.1	0	0	0	0	113	A592 D638 G756 V767	A592-V752 HydrophobicContact CB-CG1 4.13Å; D638-V752 HydrophobicContact CB-CG1 4.14Å; V752-G756 PolarHBondContact O-N 2.78Å; V752-V767 HydrophobicContact CB-CG2 4.49Å; V752-V767 HydrophobicContact CG1-CG2 3.63Å; V752-V767 HydrophobicContact CG2-CG2 4.02Å
753	P	67.5	Low	75	Confident	46 Å²	46	49 Å²	49	30%	0.299	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	153.5	-178.3	-27.1	37.3	0	0	0	115.6	Q594 Y733 R755	Q594-P753 HydrophobicContact CB-CG 3.95Å; Q594-P753 HydrophobicContact CG-CG 3.88Å; Y733-P753 HydrophobicContact CD1-CB 4.45Å; Y733-P753 HydrophobicContact CD1-CG 3.87Å; Y733-P753 HydrophobicContact CD2-CG 4.12Å; Y733-P753 VanDerWaalsContact CE1-CA 3.4Å; Y733-P753 HydrophobicContact CE1-CB 4.06Å; Y733-P753 HydrophobicContact CE1-CG 3.97Å; Y733-P753 HydrophobicContact CE2-CB 4.48Å; Y733-P753 HydrophobicContact CE2-CG 4.16Å; Y733-P753 HydrophobicContact CG-CG 3.98Å; P753-R755 PolarHBondContact O-N 2.84Å
754	G	59.8	Low	75.5	Confident	61 Å²	61	40.2 Å²	40.2	63%	0.629	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.5	-19	174.3	0	0	0	0	0	116.2
755	R	63.2	Low	76	Confident	124 Å²	124	37.6 Å²	37.6	47%	0.468	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-17.6	-176.4	-53.4	-170.1	-174.8	-172.7	3.9	114.7	E716 P753 I765	E716-R755 WeakPolarHBondContact OE1-CD 3.4Å; E716-R755 IonicContact OE1-CZ 3.59Å; E716-R755 IonicContact OE1-NE 3.68Å; E716-R755 IonicContact OE1-NH1 2.72Å; E716-R755 PolarHBondContact OE1-NH1 3.01Å; E716-R755 IonicContact OE2-NH1 3.35Å; P753-R755 PolarHBondContact O-N 2.84Å; R755-I765 HydrophobicContact CB-CB 4.12Å; R755-I765 PolarHBondContact O-N 3.04Å
756	G	51.7	Low	76.2	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.01	20%	0.196	C	C	.	.			trans	-94.4	-25.8	-176.1	0	0	0	0	0	117.8	P728 V752	P728-G756 WeakPolarHBondContact CG-O 3.23Å; V752-G756 PolarHBondContact O-N 2.78Å
757	C	62.5	Low	76.2	Confident	34 Å²	34	34.4 Å²	34.4	23%	0.23	20%	0.199	C	C	.	.			trans	-62.7	137.4	-162	-57.4	0	0	0	0	115.2	P728 I759	P728-C757 CarbonylContact O-C 3.5Å; P728-C757 VanDerWaalsContact O-CA 3.28Å; P728-C757 WeakPolarHBondContact O-CA 3.39Å; C757-I759 VanDerWaalsContact C-N 3.35Å; C757-I759 PolarHBondContact O-N 2.93Å
758	A	59.2	Low	76.1	Confident	34 Å²	34	36.5 Å²	36.5	28%	0.281	21%	0.207	S	C	.	.			trans	-62.6	75	-175.5	0	0	0	0	0	115.4	P728	P728-A758 PolarHBondContact O-N 3.01Å
759	I	64.3	Low	76.1	Confident	78 Å²	78	36.3 Å²	36.3	40%	0.4	21%	0.206	S	C	.	.			trans	-93.6	131	177.3	-69.2	158.8	0	0	0	109.8	C757 N761 R762	C757-I759 VanDerWaalsContact C-N 3.35Å; C757-I759 PolarHBondContact O-N 2.93Å; I759-N761 PolarHBondContact O-N 3.18Å; I759-R762 HydrophobicContact CB-CB 3.94Å; I759-R762 HydrophobicContact CG2-CB 3.86Å; I759-R762 PolarHBondContact O-N 3.26Å
760	P	65	Low	75.9	Confident	83 Å²	83	36.5 Å²	36.5	54%	0.539	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	130.6	177	-30.8	37	0	0	0	113.4	I724 R762	I724-P760 HydrophobicContact CG2-CB 3.93Å; I724-P760 HydrophobicContact CG2-CG 4.45Å; P760-R762 PolarHBondContact O-N 3.05Å; P760-R762 VanDerWaalsContact O-N 3.17Å
761	N	65.8	Low	75.7	Confident	129 Å²	129	39 Å²	39	69%	0.69	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	18.5	-178.2	-56.6	-17.1	0	0	0	115.7	I759	I759-N761 PolarHBondContact O-N 3.18Å
762	R	75.6	Confident	75.8	Confident	89 Å²	89	39.3 Å²	39.3	34%	0.336	22%	0.218	S	C	.	.			trans	-118	121	172.2	-167.1	-174.4	-167.1	-150.7	2.9	109	H706 I759 P760	H706-R762 PolarHBondContact CE1-NH2 2.96Å; H706-R762 PolarHBondContact ND1-NE 2.95Å; H706-R762 VanDerWaalsContact NE2-CZ 3.31Å; H706-R762 PolarHBondContact NE2-NE 3.49Å; H706-R762 VanDerWaalsContact NE2-NE 3.14Å; H706-R762 PolarHBondContact NE2-NH2 3.5Å; I759-R762 HydrophobicContact CB-CB 3.94Å; I759-R762 HydrophobicContact CG2-CB 3.86Å; I759-R762 PolarHBondContact O-N 3.26Å; P760-R762 PolarHBondContact O-N 3.05Å; P760-R762 VanDerWaalsContact O-N 3.17Å
763	P	81.2	Confident	76.1	Confident	5 Å²	5	38.9 Å²	38.9	3%	0.032	22%	0.216	C	C	.	.			trans	-70.9	154	176.4	32.9	-36.4	0	0	0	110.6	M697 H705 C718 A719	M697-P763 HydrophobicContact CE-CB 4.25Å; M697-P763 HydrophobicContact CE-CG 4.41Å; M697-P763 HydrophobicContact SD-CB 4.34Å; M697-P763 HydrophobicContact SD-CG 4.1Å; H705-P763 VanDerWaalsContact CB-CD 3.47Å; H705-P763 HydrophobicContact CB-CG 3.99Å; C718-P763 VanDerWaalsContact SG-CB 3.54Å; C718-P763 VanDerWaalsContact SG-CG 3.56Å; A719-P763 WeakPolarHBondContact O-CA 3.07Å; A719-P763 WeakPolarHBondContact O-CB 3.39Å
764	G	81.3	Confident	76.9	Confident	9 Å²	9	39.6 Å²	39.6	9%	0.093	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	144.9	173.6	0	0	0	0	0	111	C718 A719 F766	C718-G764 WeakPolarHBondContact CA-O 3.28Å; A719-G764 PolarHBondContact N-O 2.75Å; A719-G764 PolarHBondContact O-N 3.34Å; G764-F766 WeakPolarHBondContact O-CD2 3.39Å; G764-F766 WeakPolarHBondContact O-CE2 3.28Å
765	I	86.6	Confident	78.3	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	136.4	174.4	-47.3	172.6	0	0	0	109.2	V710 L712 E716 R755	V710-I765 HydrophobicContact CG1-CD1 3.81Å; L712-I765 HydrophobicContact CD1-CD1 4.01Å; L712-I765 HydrophobicContact CD2-CD1 3.97Å; L712-I765 HydrophobicContact CD2-CG1 4.05Å; L712-I765 HydrophobicContact CD2-CG2 3.78Å; L712-I765 HydrophobicContact CG-CD1 3.98Å; L712-I765 HydrophobicContact CG-CG2 4.39Å; E716-I765 HydrophobicContact CB-CG2 3.81Å; E716-I765 HydrophobicContact CG-CG2 3.95Å; E716-I765 WeakPolarHBondContact OE1-CG2 3.2Å; R755-I765 HydrophobicContact CB-CB 4.12Å; R755-I765 PolarHBondContact O-N 3.04Å
766	F	89.1	Confident	79.5	Confident	1 Å²	1	30.9 Å²	30.9	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	154.2	-171.6	-53.7	-108	0	0	0	109.5	V674 L694 E716 I717 A719 P728 L737 V750 I751 G764 R768	V674-F766 HydrophobicContact CG1-CE1 3.6Å; V674-F766 HydrophobicContact CG1-CZ 3.8Å; L694-F766 HydrophobicContact CD1-CE2 4.18Å; L694-F766 HydrophobicContact CD1-CZ 3.61Å; E716-F766 CarbonylContact C-O 3.4Å; E716-F766 WeakPolarHBondContact CA-O 3.45Å; I717-F766 HydrophobicContact CG2-CB 3.93Å; I717-F766 PolarHBondContact N-O 2.81Å; I717-F766 PolarHBondContact O-N 3.04Å; A719-F766 HydrophobicContact CB-CE2 3.88Å; P728-F766 HydrophobicContact CG-CE1 4.06Å; P728-F766 HydrophobicContact CG-CZ 4.05Å; L737-F766 HydrophobicContact CB-CD1 3.83Å; L737-F766 HydrophobicContact CB-CE1 3.92Å; L737-F766 HydrophobicContact CB-CG 4.38Å; L737-F766 HydrophobicContact CD1-CE1 4.49Å; L737-F766 HydrophobicContact CD1-CZ 4.41Å; L737-F766 HydrophobicContact CD2-CD1 4.28Å; L737-F766 HydrophobicContact CD2-CD2 3.98Å; L737-F766 HydrophobicContact CD2-CE1 4.44Å; L737-F766 HydrophobicContact CD2-CE2 4.2Å; L737-F766 HydrophobicContact CD2-CG 4.07Å; L737-F766 HydrophobicContact CD2-CZ 4.42Å; V750-F766 WeakPolarHBondContact O-CA 3.35Å; I751-F766 HydrophobicContact CD1-CE1 4.46Å; I751-F766 HydrophobicContact CG1-CD1 3.72Å; I751-F766 HydrophobicContact CG1-CE1 3.59Å; G764-F766 WeakPolarHBondContact O-CD2 3.39Å; G764-F766 WeakPolarHBondContact O-CE2 3.28Å; F766-R768 PolarHBondContact O-N 2.93Å
767	V	90.5	Very high	81.2	Confident	13 Å²	13	33.9 Å²	33.9	8%	0.079	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	123.2	173.2	-177	0	0	0	0	109.8	S637 L639 G749 V750 V752 V769 Y772	S637-V767 WeakPolarHBondContact O-CG1 3.39Å; S637-V767 WeakPolarHBondContact O-CG2 3.19Å; L639-V767 HydrophobicContact CD1-CG1 4.15Å; L639-V767 HydrophobicContact CD2-CB 4.07Å; L639-V767 HydrophobicContact CD2-CG1 3.83Å; L639-V767 HydrophobicContact CG-CG1 3.9Å; G749-V767 VanDerWaalsContact CA-O 3.26Å; G749-V767 WeakPolarHBondContact CA-O 3.06Å; V750-V767 HydrophobicContact CB-CB 4.45Å; V750-V767 PolarHBondContact N-O 3.1Å; V750-V767 VanDerWaalsContact N-O 3.07Å; V750-V767 PolarHBondContact O-N 3.36Å; V752-V767 HydrophobicContact CB-CG2 4.49Å; V752-V767 HydrophobicContact CG1-CG2 3.63Å; V752-V767 HydrophobicContact CG2-CG2 4.02Å; V767-V769 PolarHBondContact O-N 2.76Å; V767-Y772 HydrophobicContact CG1-CD2 3.76Å; V767-Y772 HydrophobicContact CG1-CE2 3.48Å; V767-Y772 VanDerWaalsContact CG1-CE2 3.48Å
768	R	91.1	Very high	82.3	Confident	44 Å²	44	32.7 Å²	32.7	17%	0.166	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	101.7	-175.9	-172.7	-174.1	-61.2	-112.9	-0.5	111.5	N699 E714 S715 E716 I717 F766 A770 Y771	N699-R768 PolarHBondContact OD1-NH2 2.99Å; E714-R768 WeakPolarHBondContact O-CD 3.48Å; E714-R768 PolarHBondContact O-NE 3.44Å; S715-R768 WeakPolarHBondContact O-CB 3.25Å; S715-R768 PolarHBondContact O-N 2.93Å; E716-R768 VanDerWaalsContact O-CZ 3.27Å; E716-R768 PolarHBondContact O-NE 2.95Å; E716-R768 PolarHBondContact O-NH2 3.24Å; I717-R768 HydrophobicContact CB-CB 4.13Å; I717-R768 HydrophobicContact CB-CG 4.25Å; I717-R768 HydrophobicContact CG2-CB 4.24Å; F766-R768 PolarHBondContact O-N 2.93Å; R768-A770 HydrophobicContact CG-CB 4.24Å; R768-A770 PolarHBondContact O-N 2.97Å; R768-Y771 VanDerWaalsContact O-CB 3.32Å; R768-Y771 WeakPolarHBondContact O-CB 3.47Å; R768-Y771 PolarHBondContact O-N 3.24Å
769	V	91.9	Very high	83.6	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60	-32	-179	-178.2	0	0	0	0	112.4	L590 L659 P660 V747 L748 V750 V767 Y771 Y772 A773 I776	L590-V769 HydrophobicContact CD2-CG1 4.08Å; L590-V769 HydrophobicContact CD2-CG2 3.96Å; L659-V769 HydrophobicContact CD2-CG1 4.11Å; P660-V769 HydrophobicContact CG-CB 4.04Å; P660-V769 HydrophobicContact CG-CG1 3.79Å; V747-V769 HydrophobicContact CG2-CG2 4.26Å; V747-V769 WeakPolarHBondContact O-CB 3.39Å; L748-V769 PolarHBondContact O-N 2.74Å; V750-V769 HydrophobicContact CG2-CG2 3.84Å; V767-V769 PolarHBondContact O-N 2.76Å; V769-Y771 PolarHBondContact O-N 2.9Å; V769-Y772 CarbonylContact O-C 3.53Å; V769-Y772 PolarHBondContact O-N 3.43Å; V769-A773 PolarHBondContact O-N 3.39Å; V769-I776 HydrophobicContact CG1-CD1 3.75Å
770	A	88.2	Confident	84.6	Confident	4 Å²	4	29.5 Å²	29.5	3%	0.033	15%	0.146	C	C	.	.	H	α-helix	trans	-62.5	-25.3	176.8	0	0	0	0	0	114.2	P660 G663 R768	P660-A770 HydrophobicContact CB-CB 3.87Å; P660-A770 HydrophobicContact CG-CB 4Å; G663-A770 PolarHBondContact N-O 2.82Å; R768-A770 HydrophobicContact CG-CB 4.24Å; R768-A770 PolarHBondContact O-N 2.97Å
771	Y	87.6	Confident	85.5	Confident	54 Å²	54	30 Å²	30	21%	0.212	14%	0.143	C	C	.	.	H	α-helix	trans	-72.9	-49	173.9	-170.2	-87.2	0	0	0	110.2	H508 E714 R768 V769 A773	H508-Y771 AromaticContact NE2-CD1 3.97Å; H508-Y771 AromaticContact NE2-CE1 3.61Å; E714-Y771 HydrophobicContact CB-CD2 4.12Å; E714-Y771 HydrophobicContact CB-CE2 3.91Å; R768-Y771 VanDerWaalsContact O-CB 3.32Å; R768-Y771 WeakPolarHBondContact O-CB 3.47Å; R768-Y771 PolarHBondContact O-N 3.24Å; V769-Y771 PolarHBondContact O-N 2.9Å; Y771-A773 VanDerWaalsContact C-N 3.29Å; Y771-A773 PolarHBondContact O-N 3.41Å
772	Y	89.4	Confident	86.2	Confident	7 Å²	7	24.1 Å²	24.1	3%	0.027	11%	0.112	C	C	.	.	H	α-helix	trans	-82.2	2.1	-178.9	-60.6	-71.7	0	0	0	114.7	H508 P634 S637 L639 S715 V767 V769 K774 W775 I776	H508-Y772 AromaticContact CD2-CE1 3.96Å; H508-Y772 AromaticContact CE1-CD1 3.97Å; H508-Y772 AromaticContact NE2-CD1 3.4Å; H508-Y772 WeakPolarHBondContact NE2-CD1 3.42Å; H508-Y772 AromaticContact NE2-CE1 3.33Å; H508-Y772 VanDerWaalsContact NE2-CE1 3.33Å; H508-Y772 WeakPolarHBondContact NE2-CE1 3.4Å; P634-Y772 HydrophobicContact CB-CE1 4.2Å; P634-Y772 HydrophobicContact CG-CD1 4.02Å; P634-Y772 HydrophobicContact CG-CE1 4.17Å; S637-Y772 WeakPolarHBondContact CA-OH 3.34Å; L639-Y772 HydrophobicContact CD1-CD2 3.67Å; L639-Y772 HydrophobicContact CD1-CE2 4.5Å; L639-Y772 HydrophobicContact CD1-CG 3.71Å; S715-Y772 WeakPolarHBondContact CB-OH 3.45Å; S715-Y772 PolarHBondContact OG-OH 3.35Å; V767-Y772 HydrophobicContact CG1-CD2 3.76Å; V767-Y772 HydrophobicContact CG1-CE2 3.48Å; V767-Y772 VanDerWaalsContact CG1-CE2 3.48Å; V769-Y772 CarbonylContact O-C 3.53Å; V769-Y772 PolarHBondContact O-N 3.43Å; Y772-K774 VanDerWaalsContact C-N 3.3Å; Y772-K774 PolarHBondContact O-N 3.29Å; Y772-W775 WeakPolarHBondContact O-CB 3.47Å; Y772-W775 PolarHBondContact O-N 2.82Å; Y772-W775 VanDerWaalsContact O-N 3.08Å; Y772-I776 PolarHBondContact O-N 3.29Å
773	A	86.4	Confident	86.4	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60	-33.4	-174	0	0	0	0	0	113.9	V769 Y771 I776 H777	V769-A773 PolarHBondContact O-N 3.39Å; Y771-A773 VanDerWaalsContact C-N 3.29Å; Y771-A773 PolarHBondContact O-N 3.41Å; A773-I776 PolarHBondContact O-N 2.75Å; A773-H777 PolarHBondContact O-N 2.79Å; A773-H777 VanDerWaalsContact O-N 3.11Å; A773-H777 PolarHBondContact O-ND1 2.78Å
774	K	84.4	Confident	85.8	Confident	61 Å²	61	26.3 Å²	26.3	27%	0.265	12%	0.123	S	C	.	.	H	α-helix	trans	-56.6	-55.6	171.1	-94.9	-172.5	176.5	-164.9	0	110.7	D505 Y662 Y772 I776 H777 K778	D505-K774 PolarHBondContact O-NZ 2.6Å; Y662-K774 HydrophobicContact CD1-CG 4.37Å; Y662-K774 HydrophobicContact CD2-CB 4.17Å; Y662-K774 HydrophobicContact CD2-CD 4.2Å; Y662-K774 HydrophobicContact CD2-CG 3.71Å; Y662-K774 HydrophobicContact CE1-CD 4.35Å; Y662-K774 HydrophobicContact CE2-CB 4.45Å; Y662-K774 HydrophobicContact CE2-CD 3.91Å; Y662-K774 HydrophobicContact CE2-CG 3.96Å; Y662-K774 HydrophobicContact CG-CG 3.92Å; Y772-K774 VanDerWaalsContact C-N 3.3Å; Y772-K774 PolarHBondContact O-N 3.29Å; K774-I776 VanDerWaalsContact C-N 3.35Å; K774-I776 PolarHBondContact O-N 2.72Å; K774-H777 PolarHBondContact O-N 2.8Å; K774-K778 WeakPolarHBondContact O-CB 3.46Å; K774-K778 PolarHBondContact O-N 2.84Å
775	W	89.3	Confident	84.5	Confident	2 Å²	2	30 Å²	30	1%	0.008	14%	0.143	C	C	.	.	H	α-helix	trans	-55.9	-46.8	178.9	168.8	76.7	0	0	0	111.6	W521 Y523 V631 P634 L639 L641 Y772 H777 K778 I779	W521-W775 AromaticContact CH2-CD1 3.91Å; Y523-W775 AromaticContact CE2-CD1 3.97Å; V631-W775 HydrophobicContact CG1-CZ2 4.15Å; P634-W775 HydrophobicContact CG-CB 4.43Å; P634-W775 HydrophobicContact CG-CG 4.13Å; L639-W775 HydrophobicContact CB-CH2 4.39Å; L639-W775 HydrophobicContact CB-CZ3 4Å; L639-W775 HydrophobicContact CD1-CZ3 4.19Å; L641-W775 HydrophobicContact CB-CH2 4.09Å; L641-W775 HydrophobicContact CD1-CE3 4.46Å; L641-W775 HydrophobicContact CD1-CH2 3.68Å; L641-W775 HydrophobicContact CD1-CZ2 4.03Å; L641-W775 HydrophobicContact CD1-CZ3 3.92Å; L641-W775 HydrophobicContact CG-CH2 3.58Å; L641-W775 HydrophobicContact CG-CZ2 4.3Å; L641-W775 HydrophobicContact CG-CZ3 3.93Å; Y772-W775 WeakPolarHBondContact O-CB 3.47Å; Y772-W775 PolarHBondContact O-N 2.82Å; Y772-W775 VanDerWaalsContact O-N 3.08Å; W775-H777 PolarHBondContact O-N 3.17Å; W775-K778 PolarHBondContact O-N 2.88Å; W775-I779 HydrophobicContact CD2-CG1 4.44Å; W775-I779 HydrophobicContact CZ2-CG1 4.11Å; W775-I779 WeakPolarHBondContact O-CG1 3.43Å; W775-I779 PolarHBondContact O-N 2.78Å
776	I	89.3	Confident	82.6	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.2	-47.8	-179.6	-62.4	172.1	0	0	0	111.7	I584 L590 L641 L659 V769 Y772 A773 K774 I779 I780	I584-I776 HydrophobicContact CD1-CG2 3.56Å; L590-I776 HydrophobicContact CD1-CD1 4.13Å; L590-I776 HydrophobicContact CD2-CD1 4.17Å; L641-I776 HydrophobicContact CD1-CB 4.38Å; L641-I776 HydrophobicContact CD1-CG1 4.32Å; L641-I776 HydrophobicContact CD1-CG2 4.16Å; L641-I776 HydrophobicContact CD2-CG2 4.34Å; L659-I776 HydrophobicContact CD1-CB 4.45Å; L659-I776 HydrophobicContact CD1-CG2 3.48Å; L659-I776 VanDerWaalsContact CD1-CG2 3.48Å; L659-I776 HydrophobicContact CD2-CD1 4.22Å; L659-I776 HydrophobicContact CD2-CG2 4.09Å; L659-I776 HydrophobicContact CG-CG2 4.45Å; V769-I776 HydrophobicContact CG1-CD1 3.75Å; Y772-I776 PolarHBondContact O-N 3.29Å; A773-I776 PolarHBondContact O-N 2.75Å; K774-I776 VanDerWaalsContact C-N 3.35Å; K774-I776 PolarHBondContact O-N 2.72Å; I776-I779 PolarHBondContact O-N 3.33Å; I776-I780 HydrophobicContact CG2-CD1 3.87Å; I776-I780 WeakPolarHBondContact O-CG1 3.42Å; I776-I780 PolarHBondContact O-N 3.29Å; I776-I780 VanDerWaalsContact O-N 3.13Å
777	H	85.8	Confident	80.1	Confident	64 Å²	64	44.2 Å²	44.2	30%	0.296	22%	0.219	S	C	.	.	H	α-helix	trans	-66.2	-39.1	178.4	-70.5	83.8	0	0	0	111.5	K549 A773 K774 W775 I779 I780 L781	K549-H777 PolarHBondContact NZ-NE2 3.21Å; K549-H777 VanDerWaalsContact NZ-NE2 3.16Å; A773-H777 PolarHBondContact O-N 2.79Å; A773-H777 VanDerWaalsContact O-N 3.11Å; A773-H777 PolarHBondContact O-ND1 2.78Å; K774-H777 PolarHBondContact O-N 2.8Å; W775-H777 PolarHBondContact O-N 3.17Å; H777-I779 PolarHBondContact O-N 3Å; H777-I780 PolarHBondContact O-N 3.35Å; H777-L781 VanDerWaalsContact O-CG 3.3Å; H777-L781 WeakPolarHBondContact O-CG 3.41Å; H777-L781 PolarHBondContact O-N 2.85Å
778	K	85.7	Confident	77.4	Confident	8 Å²	8	52.6 Å²	52.6	4%	0.035	28%	0.278	C	S	.	.	H	α-helix	trans	-58.4	-45.3	175.7	-173.5	175.4	173.6	176.9	0	111.9	H485 D504 D506 W511 W521 K774 W775 L781 T782	H485-K778 WeakPolarHBondContact NE2-CE 3.47Å; D504-K778 IonicContact OD1-NZ 2.85Å; D504-K778 PolarHBondContact OD1-NZ 2.8Å; D504-K778 WeakPolarHBondContact OD2-CE 3.49Å; D504-K778 IonicContact OD2-NZ 2.71Å; D504-K778 PolarHBondContact OD2-NZ 2.73Å; D506-K778 IonicContact OD2-NZ 3.64Å; W511-K778 VanDerWaalsContact NE1-NZ 3.15Å; W521-K778 HydrophobicContact CH2-CD 3.74Å; W521-K778 HydrophobicContact CH2-CG 4.3Å; W521-K778 HydrophobicContact CZ2-CB 4.21Å; W521-K778 HydrophobicContact CZ2-CD 3.47Å; W521-K778 VanDerWaalsContact CZ2-CD 3.47Å; W521-K778 VanDerWaalsContact CZ2-CE 3.5Å; W521-K778 HydrophobicContact CZ2-CG 3.52Å; K774-K778 WeakPolarHBondContact O-CB 3.46Å; K774-K778 PolarHBondContact O-N 2.84Å; W775-K778 PolarHBondContact O-N 2.88Å; K778-L781 PolarHBondContact O-N 3.36Å; K778-T782 WeakPolarHBondContact O-CB 3.28Å; K778-T782 WeakPolarHBondContact O-CG2 3.5Å; K778-T782 PolarHBondContact O-N 2.73Å; K778-T782 VanDerWaalsContact O-N 3.12Å; K778-T782 PolarHBondContact O-OG1 2.81Å
779	I	87.4	Confident	76.7	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-61.5	-49.6	175	-65.3	-58	0	0	0	111.5	W521 W588 V631 L641 W775 I776 H777 L781 T782 Y783	W521-I779 HydrophobicContact CH2-CD1 4.2Å; W521-I779 HydrophobicContact CZ2-CD1 3.38Å; W521-I779 HydrophobicContact CZ2-CG1 4.19Å; W588-I779 HydrophobicContact CH2-CG2 3.65Å; W588-I779 HydrophobicContact CZ2-CG2 4.14Å; W588-I779 HydrophobicContact CZ3-CG2 3.89Å; V631-I779 HydrophobicContact CG1-CD1 3.7Å; V631-I779 HydrophobicContact CG1-CG1 4.12Å; V631-I779 HydrophobicContact CG1-CG2 4.31Å; V631-I779 HydrophobicContact CG2-CG2 4.42Å; L641-I779 HydrophobicContact CD1-CB 3.76Å; L641-I779 HydrophobicContact CD1-CG1 4.11Å; L641-I779 HydrophobicContact CD1-CG2 3.71Å; W775-I779 HydrophobicContact CD2-CG1 4.44Å; W775-I779 HydrophobicContact CZ2-CG1 4.11Å; W775-I779 WeakPolarHBondContact O-CG1 3.43Å; W775-I779 PolarHBondContact O-N 2.78Å; I776-I779 PolarHBondContact O-N 3.33Å; H777-I779 PolarHBondContact O-N 3Å; I779-L781 PolarHBondContact O-N 3.31Å; I779-T782 PolarHBondContact O-N 3.44Å; I779-Y783 HydrophobicContact CD1-CD2 3.8Å; I779-Y783 HydrophobicContact CD1-CE2 3.35Å; I779-Y783 HydrophobicContact CG2-CD2 4.06Å; I779-Y783 HydrophobicContact CG2-CG 4.11Å; I779-Y783 WeakPolarHBondContact O-CB 2.89Å; I779-Y783 PolarHBondContact O-N 2.73Å
780	I	85.8	Confident	75.9	Confident	45 Å²	45	55.8 Å²	55.8	23%	0.231	30%	0.299	C	S	.	.	H	α-helix	trans	-59.3	-34.3	-179	-67.4	167.7	0	0	0	112.1	I584 K585 W588 L659 I776 H777	I584-I780 HydrophobicContact CD1-CD1 3.91Å; K585-I780 HydrophobicContact CG-CG2 4.42Å; W588-I780 HydrophobicContact CG-CG1 4.27Å; L659-I780 HydrophobicContact CD1-CD1 4.22Å; I776-I780 HydrophobicContact CG2-CD1 3.87Å; I776-I780 WeakPolarHBondContact O-CG1 3.42Å; I776-I780 PolarHBondContact O-N 3.29Å; I776-I780 VanDerWaalsContact O-N 3.13Å; H777-I780 PolarHBondContact O-N 3.35Å
781	L	82.8	Confident	75.2	Confident	94 Å²	94	58.7 Å²	58.7	49%	0.492	31%	0.313	S	S	.	.	H	α-helix	trans	-80	-27.6	179.2	-69.7	170.4	0	0	0	114.5	H485 H777 K778 I779	H485-L781 HydrophobicContact CB-CD1 4.03Å; H777-L781 VanDerWaalsContact O-CG 3.3Å; H777-L781 WeakPolarHBondContact O-CG 3.41Å; H777-L781 PolarHBondContact O-N 2.85Å; K778-L781 PolarHBondContact O-N 3.36Å; I779-L781 PolarHBondContact O-N 3.31Å
782	T	80.9	Confident	74.4	Confident	4 Å²	4	59 Å²	59	3%	0.025	32%	0.319	C	S	.	.	H	α-helix	trans	-103.7	-34.7	-171.7	50.6	0	0	0	0	113.7	W521 K778 I779 K784	W521-T782 PolarHBondContact NE1-OG1 3.32Å; K778-T782 WeakPolarHBondContact O-CB 3.28Å; K778-T782 WeakPolarHBondContact O-CG2 3.5Å; K778-T782 PolarHBondContact O-N 2.73Å; K778-T782 VanDerWaalsContact O-N 3.12Å; K778-T782 PolarHBondContact O-OG1 2.81Å; I779-T782 PolarHBondContact O-N 3.44Å; T782-K784 PolarHBondContact O-N 2.68Å
783	Y	80.3	Confident	73.5	Confident	12 Å²	12	62.3 Å²	62.3	5%	0.047	34%	0.337	C	S	.	.	S	Bend	trans	-83.1	66.7	-176.9	-78.4	-123.7	0	0	0	110.9	L518 P520 W521 W588 V631 K643 I779	L518-Y783 WeakPolarHBondContact O-CD1 3.44Å; L518-Y783 WeakPolarHBondContact O-CE1 3.44Å; P520-Y783 HydrophobicContact CG-CD2 3.63Å; P520-Y783 HydrophobicContact CG-CE2 3.64Å; P520-Y783 HydrophobicContact CG-CG 4.06Å; W521-Y783 AromaticContact CD1-CE2 3.92Å; W521-Y783 AromaticContact NE1-CE2 3.68Å; W521-Y783 PolarHBondContact O-OH 2.77Å; W588-Y783 HydrophobicContact CH2-CD1 4.14Å; W588-Y783 HydrophobicContact CH2-CG 4.12Å; W588-Y783 HydrophobicContact CZ2-CG 4.47Å; V631-Y783 HydrophobicContact CB-CE1 4.48Å; V631-Y783 HydrophobicContact CG1-CE1 4.12Å; V631-Y783 HydrophobicContact CG2-CD1 3.73Å; V631-Y783 HydrophobicContact CG2-CE1 3.49Å; V631-Y783 VanDerWaalsContact CG2-CE1 3.49Å; K643-Y783 PolarHBondContact NZ-O 2.94Å; I779-Y783 HydrophobicContact CD1-CD2 3.8Å; I779-Y783 HydrophobicContact CD1-CE2 3.35Å; I779-Y783 HydrophobicContact CG2-CD2 4.06Å; I779-Y783 HydrophobicContact CG2-CG 4.11Å; I779-Y783 WeakPolarHBondContact O-CB 2.89Å; I779-Y783 PolarHBondContact O-N 2.73Å
784	K	68.7	Low	72.7	Confident	129 Å²	129	66.4 Å²	66.4	56%	0.561	36%	0.36	S	S	*	.			trans	-42.7	143.1	-178.6	-65.6	172	-173.4	165.9	0	112.5	D481 R484 K643 T782	D481-K784 IonicContact OD1-NZ 3.36Å; D481-K784 IonicContact OD2-NZ 2.74Å; R484-K784 VanDerWaalsContact NH2-CE 3.3Å; K643-K784 PolarHBondContact NZ-O 2.98Å; T782-K784 PolarHBondContact O-N 2.68Å
785	V	54.3	Low	71.8	Confident	85 Å²	85	66.8 Å²	66.8	52%	0.515	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-71.4	132.4	167.1	-177.7	0	0	0	0	107.1	Q787	V785-Q787 PolarHBondContact O-N 2.66Å
786	P	45.7	Very low	70.5	Confident	103 Å²	103	71.8 Å²	71.8	67%	0.669	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-58.3	123.6	169.9	-20.4	32.5	0	0	0	109	S788	P786-S788 PolarHBondContact O-N 2.66Å
787	Q	37.1	Very low	68.9	Low	199 Å²	199	77.8 Å²	77.8	93%	0.93	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-72.6	117.4	166.9	-71.8	-174.2	-17.8	0	0	107.3	V785	V785-Q787 PolarHBondContact O-N 2.66Å
788	S	32.4	Very low	67.4	Low	189 Å²	189	79 Å²	79	100%	1.322	44%	0.439	S	S	*	.			trans	-83.3	0	178	58.4	0	0	0	0	111.4	P786	P786-S788 PolarHBondContact O-N 2.66Å

Retrieved 788 of 788 residues in 135.5 ms (Link to these results)

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