A0A087YC38_POEFO Loading...

DDHD domain containing 1

AlphaFold DB , UniProt , Accession A0A087YC38, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 877 aa.

						>A0A087YC38_POEFO|A0A087YC38
MSSFNQNLRISSSFSADSKGPAVSADTGNKDWVLGSDVFSCCHEMSLVDDSMQAGMSSVQPGLDGHLPLIRAQNHGSQDGIFFELGSPEDYLDSSPLEYRDSDGIGVGPLFERRKRSRSNSSRHRFNEVVTELVPEEVRWFYKEDKKTWKPFIGHDSLKIELMFRKYCELNPGAMRSGVGDGEEETGGKCVDSPGQNGAVPVDTGTSSVDEGRGSLDTSTVSFDGTDPDGTEINVEPVCVRGGLYEVDIKERKCYPVYWKHGSESAAAITPHTSITPPPCPSEEEQDHIPVMRGQWFIDGSWLPLEEEESDLIEQEHLNHFRGQHLQDTFETDLVVKTVDSKDAIHHLKLSRTHVDWHSVEEVYLYSDATTSKIARTVTQKLGFSKASSSGTRLHRGYVEEASPEDRPPQTTHVVFVVHGIGQKMDQGRIIKNTGMLREGVRKMEEKHFSEHNDEHVEFLPVEWRSKLALDGDTVDSITPDKVRGLRDLLNSSAMDIMYYNSPLYRDEITKGLTEELNRLYSLFCSRNPDFEERGGKVSIVSHSLGCVITYDIMTGWDPVRFCLQEHCAVEEEQDFRWMSYEERQLLEELRLTKNRLRELENQLVKLEASNPSAPPALKFKVENFFCMGSPLAVFLALRGIRPGTSGHQDHILPTSICSRLFNVFHPTDPVAYRLEPLILKHYSNVAPVQIHWCSATNPSSYDEVRPTFLNPVKDPASDTESIPSPSTSPVLARKHYGESITSLGKASILGAASIGKGLGGILFSRFSRSNSQPSVSLGVEGGANAEEEEEKRTESQSSYGLSTITRPTSPTGDTLLELERRIDFELREGLVESRYWSAVTSHTGYWCSHDIALFLLTFLYDKSTPSASAEQTPEPD
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.7	Very low	27.7	Very low	244 Å²	244	152.3 Å²	152.3	100%	1.202	79%	0.79	S	S	*	*				0	120.1	0	-60.9	175.4	85.7	0	0	106
2	S	28.6	Very low	27.5	Very low	107 Å²	107	149.8 Å²	149.8	75%	0.748	80%	0.796	S	S	*	*			cis	-173.1	138.6	-3.2	50	0	0	0	0	102
3	S	29.3	Very low	27.5	Very low	107 Å²	107	145.5 Å²	145.5	75%	0.748	79%	0.785	S	S	*	*			cis	-169	130.9	38.3	-48.2	0	0	0	0	104.7
4	F	29.3	Very low	27.4	Very low	192 Å²	192	148.7 Å²	148.7	84%	0.842	79%	0.789	S	S	*	*				55.6	100.9	59.3	-98.9	-57.4	0	0	0	116.7
5	N	30.3	Very low	27.3	Very low	113 Å²	113	146.1 Å²	146.1	60%	0.604	79%	0.787	S	S	*	*				112.4	144.2	107.8	-121.3	-9	0	0	0	121.7
6	Q	29.4	Very low	27.5	Very low	154 Å²	154	141.9 Å²	141.9	72%	0.72	78%	0.778	S	S	*	*			trans	91.7	116.6	147.5	-72.1	169.5	17.6	0	0	119
7	N	26.5	Very low	27.6	Very low	137 Å²	137	142.5 Å²	142.5	73%	0.733	78%	0.78	S	S	*	*				68.4	141.7	71.4	-75.5	-22.5	0	0	0	111.6
8	L	26.3	Very low	27.6	Very low	139 Å²	139	140.2 Å²	140.2	73%	0.728	78%	0.776	S	S	*	*			cis	-164.8	164.8	12.5	-146.9	85.2	0	0	0	108.8
9	R	25.3	Very low	27.7	Very low	220 Å²	220	143.6 Å²	143.6	83%	0.83	78%	0.782	S	S	*	*			trans	-39.1	160.4	165.4	-63.5	166.7	172.4	166.9	-3	116.5
10	I	25.2	Very low	27.6	Very low	158 Å²	158	140.1 Å²	140.1	81%	0.81	78%	0.781	S	S	*	*				-173.8	141.1	110.5	-86.8	151.6	0	0	0	111.4
11	S	25.4	Very low	28.2	Very low	104 Å²	104	139.6 Å²	139.6	73%	0.727	78%	0.784	S	S	*	*			trans	-78.6	155.7	176	49.3	0	0	0	0	115.2
12	S	25.1	Very low	28	Very low	123 Å²	123	132.1 Å²	132.1	86%	0.86	76%	0.761	S	S	*	*			trans	-166.4	140.7	138.3	55.7	0	0	0	0	113.6
13	S	26.7	Very low	27.9	Very low	93 Å²	93	133.3 Å²	133.3	65%	0.65	76%	0.763	S	S	*	*			trans	-80.3	162.6	-175.5	46.7	0	0	0	0	116.4
14	F	26.4	Very low	27.7	Very low	191 Å²	191	133.2 Å²	133.2	84%	0.838	76%	0.763	S	S	*	*				166	123.6	117.2	-100.8	-81.8	0	0	0	114.1
15	S	25.8	Very low	27.5	Very low	110 Å²	110	128.5 Å²	128.5	77%	0.769	76%	0.759	S	S	*	*			trans	34.1	144.7	131.1	-159.2	0	0	0	0	121.3
16	A	30.2	Very low	27.2	Very low	78 Å²	78	130.9 Å²	130.9	65%	0.645	77%	0.772	S	S	*	*			cis	-168.4	169.5	18.1	0	0	0	0	0	112.8
17	D	29.4	Very low	27.1	Very low	152 Å²	152	130.4 Å²	130.4	81%	0.813	78%	0.78	S	S	*	*			trans	91.3	99.3	145.5	-76.2	-11.1	0	0	0	125.4
18	S	27.9	Very low	27.2	Very low	101 Å²	101	127.1 Å²	127.1	71%	0.706	78%	0.778	S	S	*	*				95.3	132.6	110.5	80.9	0	0	0	0	123.6
19	K	29.8	Very low	27.1	Very low	205 Å²	205	127.1 Å²	127.1	89%	0.891	78%	0.779	S	S	*	*			trans	91.3	114.8	158.7	-68.1	-176	177.5	177.3	0	120.2
20	G	24.8	Very low	27.2	Very low	73 Å²	73	124 Å²	124	75%	0.753	77%	0.772	S	S	*	*			trans	-85.1	-159.3	165	0	0	0	0	0	113.4
21	P	40.9	Very low	27.4	Very low	131 Å²	131	123 Å²	123	85%	0.851	77%	0.768	S	S	*	*			cis	-136.9	-178.5	17.2	40.3	-21.2	0	0	0	116.5
22	A	26.5	Very low	27.5	Very low	87 Å²	87	130 Å²	130	72%	0.719	78%	0.778	S	S	*	*			trans	95.5	110.2	146	0	0	0	0	0	121.3
23	V	25.7	Very low	27.4	Very low	131 Å²	131	129.9 Å²	129.9	79%	0.794	77%	0.773	S	S	*	*				90.6	130.4	129.2	-177.3	0	0	0	0	120.2
24	S	24.1	Very low	27.5	Very low	105 Å²	105	133.8 Å²	133.8	73%	0.734	79%	0.785	S	S	*	*			trans	82.4	110	153.5	45.8	0	0	0	0	121.9
25	A	25.2	Very low	27.5	Very low	93 Å²	93	128.1 Å²	128.1	77%	0.769	78%	0.781	S	S	*	*				81.8	128.1	117	0	0	0	0	0	121.3
26	D	25.5	Very low	27.5	Very low	164 Å²	164	127.9 Å²	127.9	88%	0.877	78%	0.779	S	S	*	*			trans	61.7	99.6	151.8	-76	-6.9	0	0	0	120.6
27	T	27.1	Very low	27.3	Very low	144 Å²	144	131.1 Å²	131.1	88%	0.883	79%	0.785	S	S	*	*			trans	-92.7	140.9	144.3	19.5	0	0	0	0	107.1
28	G	27.1	Very low	27.1	Very low	68 Å²	68	129.8 Å²	129.8	70%	0.701	78%	0.783	S	S	*	*			cis	120.6	96.7	21.2	0	0	0	0	0	109.7
29	N	25.1	Very low	27	Very low	138 Å²	138	134.5 Å²	134.5	74%	0.738	79%	0.791	S	S	*	*			trans	61	130.9	132	-108.1	-10.5	0	0	0	122.7
30	K	28.3	Very low	26.8	Very low	155 Å²	155	129.3 Å²	129.3	67%	0.674	78%	0.78	S	S	*	*				98.2	108.1	127	-80.4	167.3	179.9	-178.2	0	121.2
31	D	28.1	Very low	26.6	Very low	138 Å²	138	131.5 Å²	131.5	74%	0.738	78%	0.783	S	S	*	*				42.7	122.6	116.2	-58.9	-24.5	0	0	0	120.6
32	W	27.3	Very low	25.8	Very low	249 Å²	249	130.7 Å²	130.7	94%	0.943	78%	0.779	S	S	*	*			trans	-155.1	108.2	139.2	-78.7	103.2	0	0	0	112.8
33	V	24.6	Very low	25.8	Very low	122 Å²	122	135 Å²	135	74%	0.739	78%	0.784	S	S	*	*				19.7	127.8	128.9	-178.9	0	0	0	0	122.1
34	L	28.2	Very low	25.7	Very low	175 Å²	175	137.8 Å²	137.8	92%	0.916	79%	0.788	S	S	*	*			trans	59.8	128	137.9	-146.9	82.6	0	0	0	122.7
35	G	25.5	Very low	25.7	Very low	72 Å²	72	141.5 Å²	141.5	74%	0.742	80%	0.796	S	S	*	*			trans	-179.1	114.1	157.4	0	0	0	0	0	112.7
36	S	26.3	Very low	25.6	Very low	105 Å²	105	142.8 Å²	142.8	73%	0.734	80%	0.799	S	S	*	*			trans	-59.5	151	156.5	50.9	0	0	0	0	109.7
37	D	25.7	Very low	25.7	Very low	145 Å²	145	142.6 Å²	142.6	78%	0.775	80%	0.798	S	S	*	*				-175.4	141.5	127.9	-86.9	-16.2	0	0	0	113.3
38	V	26.1	Very low	25.8	Very low	125 Å²	125	142.5 Å²	142.5	76%	0.758	80%	0.796	S	S	*	*			trans	-65.7	139.2	167.4	169.6	0	0	0	0	109.4
39	F	26.2	Very low	25.8	Very low	199 Å²	199	146 Å²	146	87%	0.873	80%	0.799	S	S	*	*			trans	-139.8	124	157.2	-97.9	-79	0	0	0	113.3
40	S	23.8	Very low	25.9	Very low	97 Å²	97	145.9 Å²	145.9	68%	0.678	80%	0.799	S	S	*	*			trans	-55.5	148.5	168.4	-57.5	0	0	0	0	113.5
41	C	21.7	Very low	25.8	Very low	119 Å²	119	143.2 Å²	143.2	80%	0.804	80%	0.799	S	S	*	*			trans	-104	107	154.4	-172.3	0	0	0	0	108
42	C	24.5	Very low	25.8	Very low	113 Å²	113	144.2 Å²	144.2	76%	0.764	80%	0.801	S	S	*	*			trans	-80.6	131.3	166.6	-56.5	0	0	0	0	108.3
43	H	24.9	Very low	25.7	Very low	178 Å²	178	140.6 Å²	140.6	82%	0.824	80%	0.795	S	S	*	*			trans	-108.7	112.2	164.7	-125.2	60.2	0	0	0	107.3
44	E	24.3	Very low	25.8	Very low	189 Å²	189	139.7 Å²	139.7	88%	0.883	80%	0.8	S	S	*	*			trans	-104.7	115.6	172.9	-165.5	173.3	-170.3	0	0	107
45	M	24.7	Very low	25.6	Very low	184 Å²	184	134.5 Å²	134.5	91%	0.906	79%	0.789	S	S	*	*			trans	-91.6	127.1	169.5	-96.2	177	163.2	0	0	108.5
46	S	23.5	Very low	25.6	Very low	119 Å²	119	139.6 Å²	139.6	83%	0.832	80%	0.796	S	S	*	*			trans	-126.4	126	159.3	66.8	0	0	0	0	109.8
47	L	26.6	Very low	25.6	Very low	161 Å²	161	139 Å²	139	84%	0.843	79%	0.792	S	S	*	*			trans	-89.6	166.1	173.9	-87	163.4	0	0	0	111.9
48	V	29.9	Very low	25.6	Very low	141 Å²	141	137.1 Å²	137.1	86%	0.855	79%	0.79	S	S	*	*			trans	78	141.6	165	-55.7	0	0	0	0	118.1
49	D	26.1	Very low	25.6	Very low	143 Å²	143	137.1 Å²	137.1	77%	0.765	79%	0.79	S	S	*	*			cis	-170.5	159.8	-22.1	-170.1	14.9	0	0	0	105.7
50	D	26.9	Very low	25.7	Very low	135 Å²	135	136.4 Å²	136.4	72%	0.722	79%	0.789	S	S	*	*			trans	82.9	133.5	148.2	-119.3	-11.5	0	0	0	125
51	S	27.4	Very low	26.2	Very low	98 Å²	98	137.4 Å²	137.4	69%	0.685	79%	0.793	S	S	*	*			trans	94.5	117.1	150.7	80.5	0	0	0	0	123.1
52	M	27.6	Very low	26.4	Very low	160 Å²	160	134.9 Å²	134.9	79%	0.788	79%	0.788	S	S	*	*			trans	78.7	103.3	131.3	-65.2	-84.7	140.5	0	0	121.7
53	Q	25.8	Very low	26.5	Very low	173 Å²	173	136.9 Å²	136.9	81%	0.808	79%	0.79	S	S	*	*				72.9	123.4	115.5	-131.7	169.7	9.1	0	0	122.3
54	A	25.7	Very low	26.6	Very low	102 Å²	102	135.7 Å²	135.7	84%	0.843	79%	0.789	S	S	*	*			trans	86.3	134.5	139.7	0	0	0	0	0	122.7
55	G	25.4	Very low	26.7	Very low	67 Å²	67	129.8 Å²	129.8	69%	0.691	78%	0.78	S	S	*	*			trans	115.7	88.1	146.7	0	0	0	0	0	115.5
56	M	25.4	Very low	26.8	Very low	178 Å²	178	130 Å²	130	88%	0.877	78%	0.778	S	S	*	*				56.3	104.4	94.8	-64.5	-173.1	72.6	0	0	114.6
57	S	25.1	Very low	27	Very low	94 Å²	94	131.9 Å²	131.9	66%	0.657	78%	0.778	S	S	*	*				95.2	112.8	101.2	75.5	0	0	0	0	112.8
58	S	26.6	Very low	27.2	Very low	104 Å²	104	129.8 Å²	129.8	73%	0.727	77%	0.774	S	S	*	*				118.1	156.9	93.7	60.1	0	0	0	0	112.5
59	V	25.9	Very low	27	Very low	125 Å²	125	130.5 Å²	130.5	76%	0.758	77%	0.772	S	S	*	*			trans	112.6	90.8	153.9	-168	0	0	0	0	115.6
60	Q	27.5	Very low	26.9	Very low	185 Å²	185	132 Å²	132	86%	0.864	78%	0.778	S	S	*	*			trans	-73.4	159	135.8	-74.9	-164.1	-38.1	0	0	109.9
61	P	34.4	Very low	26.7	Very low	118 Å²	118	135.8 Å²	135.8	77%	0.766	78%	0.782	S	S	*	*				-144.7	145.5	104.9	28.5	-9	0	0	0	113.4
62	G	25.5	Very low	26.5	Very low	66 Å²	66	135.9 Å²	135.9	68%	0.68	79%	0.789	S	S	*	*				87.5	143	96.1	0	0	0	0	0	111.4
63	L	27.4	Very low	26.4	Very low	155 Å²	155	136 Å²	136	81%	0.812	79%	0.788	S	S	*	*			cis	-171	144.9	19.9	-99.7	152.2	0	0	0	109
64	D	27.1	Very low	26.3	Very low	152 Å²	152	135.7 Å²	135.7	81%	0.813	79%	0.792	S	S	*	*			trans	23.7	144.3	141.9	-65.4	-31.7	0	0	0	124.7
65	G	27.3	Very low	26.3	Very low	66 Å²	66	139.9 Å²	139.9	68%	0.68	79%	0.793	S	S	*	*			trans	-175.3	74.7	163.2	0	0	0	0	0	117.4
66	H	26.5	Very low	26.2	Very low	188 Å²	188	139.8 Å²	139.8	87%	0.87	79%	0.792	S	S	*	*			trans	57.6	119	137.8	-70.4	-75.5	0	0	0	124
67	L	26.5	Very low	26.2	Very low	158 Å²	158	137 Å²	137	83%	0.827	79%	0.791	S	S	*	*			trans	-81.3	156.6	146	-85.6	162.2	0	0	0	110.6
68	P	31.8	Very low	26.2	Very low	117 Å²	117	141.9 Å²	141.9	76%	0.76	80%	0.803	S	S	*	*				-152	145.8	90.4	35.5	-14.6	0	0	0	118.6
69	L	24.6	Very low	26.3	Very low	157 Å²	157	145 Å²	145	82%	0.822	81%	0.811	S	S	*	*			trans	24.9	121.7	137.4	-82.9	141.3	0	0	0	122.3
70	I	24.9	Very low	26.3	Very low	173 Å²	173	142.4 Å²	142.4	89%	0.887	81%	0.81	S	S	*	*			trans	-137.1	134.8	136.9	-68.2	-170.9	0	0	0	110
71	R	23.3	Very low	26.2	Very low	216 Å²	216	140.4 Å²	140.4	82%	0.815	80%	0.804	S	S	*	*			trans	-96.7	135	179.6	180	-173.8	-160.4	167.7	5.7	110.3
72	A	23.4	Very low	25.6	Very low	99 Å²	99	143.4 Å²	143.4	82%	0.818	81%	0.805	S	S	*	*			trans	-156.6	124.5	151.1	0	0	0	0	0	111.2
73	Q	24.2	Very low	25.5	Very low	163 Å²	163	148.7 Å²	148.7	76%	0.762	81%	0.81	S	S	*	*			trans	-67.5	145.4	168.5	-82.5	165.7	-38.6	0	0	111.1
74	N	24.3	Very low	25.3	Very low	167 Å²	167	149.1 Å²	149.1	89%	0.893	81%	0.808	S	S	*	*			trans	-159.1	138.4	138.4	-103.5	-18.7	0	0	0	112
75	H	25.1	Very low	25.2	Very low	189 Å²	189	150 Å²	150	88%	0.875	81%	0.811	S	S	*	*			trans	-67.7	153.7	178.8	-78.9	-86.9	0	0	0	113.6
76	G	23.5	Very low	25.2	Very low	65 Å²	65	150 Å²	150	67%	0.67	81%	0.812	S	S	*	*			trans	159.7	81.6	159.5	0	0	0	0	0	115.5
77	S	25	Very low	25.2	Very low	121 Å²	121	145.7 Å²	145.7	85%	0.846	80%	0.802	S	S	*	*			trans	25.7	112.4	145.2	40.7	0	0	0	0	119.7
78	Q	26.1	Very low	25.3	Very low	196 Å²	196	144.7 Å²	144.7	92%	0.916	81%	0.805	S	S	*	*			trans	-127.1	116.1	151.6	-81.4	-171.6	-4.6	0	0	109.7	G80	Q78-G80 PolarHBondContact O-N 3.45Å
79	D	27.5	Very low	25.1	Very low	168 Å²	168	146.8 Å²	146.8	90%	0.898	81%	0.805	S	S	*	*			trans	-65.8	117.6	157.8	-71.1	-48.7	0	0	0	108.5
80	G	25.6	Very low	25.3	Very low	71 Å²	71	146.5 Å²	146.5	73%	0.732	80%	0.804	S	S	*	*			trans	-120	101.1	174.3	0	0	0	0	0	109.2	Q78 F82	Q78-G80 PolarHBondContact O-N 3.45Å; G80-F82 PolarHBondContact O-N 3.02Å
81	I	26.7	Very low	25.6	Very low	143 Å²	143	149.1 Å²	149.1	73%	0.733	81%	0.805	S	S	*	*			trans	-69.2	115.2	178.5	-61.7	168.7	0	0	0	108.4	F83	I81-F83 HydrophobicContact CG2-CD2 3.98Å; I81-F83 HydrophobicContact CG2-CE2 3.81Å
82	F	22.1	Very low	25.8	Very low	181 Å²	181	146.9 Å²	146.9	79%	0.794	81%	0.808	S	S	*	*			trans	-74.2	120	173.4	-147.4	-101.8	0	0	0	108.4	G80 E84	G80-F82 PolarHBondContact O-N 3.02Å; F82-E84 HydrophobicContact CD1-CG 4.37Å; F82-E84 HydrophobicContact CE1-CG 4.21Å
83	F	23.4	Very low	25.8	Very low	178 Å²	178	149.1 Å²	149.1	78%	0.781	81%	0.806	S	S	*	*			trans	-107.8	94.8	167.2	-92.8	-79	0	0	0	108.4	I81	I81-F83 HydrophobicContact CG2-CD2 3.98Å; I81-F83 HydrophobicContact CG2-CE2 3.81Å
84	E	23.4	Very low	26	Very low	164 Å²	164	146.6 Å²	146.6	77%	0.766	81%	0.806	S	S	*	*			trans	-66.6	117.1	158.8	-114.2	172.6	163.6	0	0	108.1	F82	F82-E84 HydrophobicContact CD1-CG 4.37Å; F82-E84 HydrophobicContact CE1-CG 4.21Å
85	L	25.3	Very low	26.1	Very low	169 Å²	169	143 Å²	143	89%	0.885	80%	0.795	S	S	*	*			trans	-93.2	97.3	163.9	-117.9	86.6	0	0	0	107.4
86	G	26.1	Very low	26.3	Very low	67 Å²	67	139.9 Å²	139.9	69%	0.691	79%	0.791	S	S	*	*			trans	-65.1	159	171.5	0	0	0	0	0	112.8
87	S	26.6	Very low	26.4	Very low	97 Å²	97	144.5 Å²	144.5	68%	0.678	80%	0.799	S	S	*	*			trans	-55.8	148	174.2	57.8	0	0	0	0	112.3	E89	S87-E89 VanDerWaalsContact C-N 3.31Å; S87-E89 PolarHBondContact O-N 2.98Å; S87-E89 VanDerWaalsContact O-N 3.11Å
88	P	28	Very low	26.4	Very low	137 Å²	137	148 Å²	148	89%	0.89	80%	0.803	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	72	173.3	34.7	-30.1	0	0	0	109.7
89	E	29.1	Very low	26.4	Very low	161 Å²	161	149.3 Å²	149.3	75%	0.752	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.4	-6.9	167.2	-78.8	-161.6	155.4	0	0	114.5	S87	S87-E89 VanDerWaalsContact C-N 3.31Å; S87-E89 PolarHBondContact O-N 2.98Å; S87-E89 VanDerWaalsContact O-N 3.11Å
90	D	28.8	Very low	26.3	Very low	151 Å²	151	152.6 Å²	152.6	81%	0.807	80%	0.8	S	S	*	*			trans	-104.1	85.4	176.6	-75.9	-26.1	0	0	0	111
91	Y	30.1	Very low	26.4	Very low	228 Å²	228	156.5 Å²	156.5	89%	0.894	81%	0.805	S	S	*	*			trans	-172.4	58.3	152.1	-105.1	-68.6	0	0	0	112.4
92	L	27.4	Very low	26.4	Very low	170 Å²	170	155.4 Å²	155.4	89%	0.89	81%	0.81	S	S	*	*			trans	-150.7	60.4	153.2	-78	-175.5	0	0	0	109.7
93	D	24.6	Very low	26.7	Very low	146 Å²	146	154.9 Å²	154.9	78%	0.781	82%	0.815	S	S	*	*			trans	-93.6	105.7	161.9	-169.5	16.5	0	0	0	108.2
94	S	27.5	Very low	26.9	Very low	109 Å²	109	150.1 Å²	150.1	76%	0.762	82%	0.816	S	S	*	*			trans	-98	94.8	171.1	-64.9	0	0	0	0	108.2
95	S	27	Very low	27.3	Very low	92 Å²	92	150.7 Å²	150.7	64%	0.643	82%	0.823	S	S	*	*			trans	-62.6	149.9	165.9	-78	0	0	0	0	111.4
96	P	28.5	Very low	27.3	Very low	124 Å²	124	146.3 Å²	146.3	81%	0.805	82%	0.818	S	S	*	*			trans	-79.8	127.7	-165.8	-2.7	21.2	0	0	0	111	E98	P96-E98 PolarHBondContact O-N 2.77Å
97	L	25.4	Very low	27.5	Very low	161 Å²	161	150.2 Å²	150.2	84%	0.843	83%	0.828	S	S	*	*			trans	-75.7	114.4	167.9	-76.2	169.7	0	0	0	109.7	Y99	L97-Y99 PolarHBondContact O-N 2.93Å
98	E	25.5	Very low	27.4	Very low	196 Å²	196	149 Å²	149	92%	0.916	83%	0.831	S	S	*	*			trans	-55.8	121.5	163.5	-68.4	-178.9	155.6	0	0	110	P96	P96-E98 PolarHBondContact O-N 2.77Å
99	Y	26.5	Very low	27.5	Very low	222 Å²	222	148.1 Å²	148.1	87%	0.871	83%	0.825	S	S	*	*			trans	-115.6	130.5	161.3	-108.2	-91.8	0	0	0	109.8	L97	L97-Y99 PolarHBondContact O-N 2.93Å
100	R	25.8	Very low	27.4	Very low	237 Å²	237	148.9 Å²	148.9	89%	0.894	83%	0.834	S	S	*	*			trans	-65.5	136.7	-174.1	-137	177.7	-169.5	176.2	2.2	111.8
101	D	26.4	Very low	27.5	Very low	154 Å²	154	151.1 Å²	151.1	82%	0.824	84%	0.837	S	S	*	*			trans	-54.1	137.8	167.3	-79.7	-41.3	0	0	0	112.4
102	S	26.9	Very low	27.4	Very low	120 Å²	120	149 Å²	149	84%	0.839	84%	0.835	S	S	*	*			trans	-146.4	118.7	154.2	-78	0	0	0	0	109.2
103	D	29.3	Very low	27.4	Very low	170 Å²	170	151.2 Å²	151.2	91%	0.909	83%	0.831	S	S	*	*			trans	-56	141.3	179.5	-65.1	-58.1	0	0	0	113.6
104	G	27	Very low	27.6	Very low	78 Å²	78	156 Å²	156	80%	0.804	84%	0.839	S	S	*	*			trans	-177.6	95.9	171.4	0	0	0	0	0	113.5
105	I	31.2	Very low	27.7	Very low	176 Å²	176	158.1 Å²	158.1	90%	0.903	83%	0.834	S	S	*	*			trans	-59.8	135.5	-179.1	-64.7	169	0	0	0	112.9
106	G	26.4	Very low	27.8	Very low	76 Å²	76	164.8 Å²	164.8	78%	0.784	85%	0.845	S	S	*	*			trans	-176.5	81.1	173.2	0	0	0	0	0	116.7
107	V	29.7	Very low	27.6	Very low	149 Å²	149	163.2 Å²	163.2	90%	0.903	84%	0.837	S	S	*	*			trans	-15.1	122.5	164.4	-164.4	0	0	0	0	121
108	G	23.9	Very low	28.1	Very low	71 Å²	71	165.9 Å²	165.9	73%	0.732	84%	0.836	S	S	*	*			trans	106.7	157.4	138.3	0	0	0	0	0	119.5
109	P	30.6	Very low	28.1	Very low	120 Å²	120	160.2 Å²	160.2	78%	0.779	82%	0.817	S	S	*	*			cis	-114.5	146.3	-30.6	35.4	-20.1	0	0	0	113.3
110	L	28.1	Very low	28.3	Very low	177 Å²	177	157.8 Å²	157.8	93%	0.927	82%	0.82	S	S	*	*			trans	-79.5	126.8	172.4	-80.3	158.2	0	0	0	110.3
111	F	30	Very low	28.5	Very low	198 Å²	198	150.8 Å²	150.8	87%	0.868	81%	0.807	S	S	*	*			trans	-111.4	128	159.2	-98.1	-84	0	0	0	110.1	R113	F111-R113 PolarHBondContact O-N 2.85Å
112	E	27	Very low	29	Very low	182 Å²	182	147 Å²	147	85%	0.85	79%	0.793	S	S	*	*			trans	-61.3	117.3	-173.5	-69.9	166.3	134.4	0	0	111.8	R114	E112-R114 PolarHBondContact O-N 3.13Å
113	R	28.5	Very low	29.9	Very low	218 Å²	218	148 Å²	148	82%	0.823	78%	0.778	S	S	*	*			trans	-57.6	122.9	145.8	-165.6	176.8	-151.2	-176.1	3.5	105.1	F111 K115	F111-R113 PolarHBondContact O-N 2.85Å; R113-K115 PolarHBondContact O-N 3.01Å
114	R	29.3	Very low	30.3	Very low	247 Å²	247	147.3 Å²	147.3	93%	0.932	77%	0.769	S	S	*	*			trans	-58.8	78.6	170.5	-138.1	178.7	-159.6	167	4	107.9	E112 R116	E112-R114 PolarHBondContact O-N 3.13Å; R114-R116 VanDerWaalsContact C-N 3.31Å; R114-R116 PolarHBondContact O-N 2.82Å
115	K	28.4	Very low	31.7	Very low	152 Å²	152	147 Å²	147	66%	0.661	74%	0.743	S	S	*	*			trans	-54.8	107.5	150.3	-82.9	175.6	174.5	170.7	0	102.6	R113 S117	R113-K115 PolarHBondContact O-N 3.01Å; K115-S117 VanDerWaalsContact C-N 3.34Å; K115-S117 PolarHBondContact O-N 3.42Å
116	R	28.6	Very low	32.2	Very low	233 Å²	233	148.3 Å²	148.3	88%	0.879	74%	0.743	S	S	*	*			trans	-45.3	118.8	145	-88.6	-177.3	177.1	171	-1	104.4	R114 R118	R114-R116 VanDerWaalsContact C-N 3.31Å; R114-R116 PolarHBondContact O-N 2.82Å; R116-R118 PolarHBondContact O-N 3.03Å
117	S	25	Very low	33.4	Very low	90 Å²	90	147 Å²	147	63%	0.629	72%	0.718	S	S	*	*			trans	-35.9	118.3	-171.8	-175.6	0	0	0	0	108.6	K115 S119	K115-S117 VanDerWaalsContact C-N 3.34Å; K115-S117 PolarHBondContact O-N 3.42Å; S117-S119 WeakPolarHBondContact CB-OG 3.18Å; S117-S119 PolarHBondContact O-N 3.48Å; S117-S119 PolarHBondContact OG-N 3.16Å; S117-S119 PolarHBondContact OG-OG 3.05Å
118	R	35.3	Very low	35.1	Very low	218 Å²	218	146.3 Å²	146.3	82%	0.823	71%	0.705	S	S	*	*			trans	-66.5	69.3	151.7	-80.7	-176.5	167.2	168.6	-3.7	105.4	R116 N120	R116-R118 PolarHBondContact O-N 3.03Å; R118-N120 PolarHBondContact O-N 2.93Å
119	S	25.9	Very low	37.9	Very low	76 Å²	76	145.8 Å²	145.8	53%	0.531	69%	0.687	S	S	.	*			trans	-63.2	117.6	156.8	-60.8	0	0	0	0	102.7	S117 S121	S117-S119 WeakPolarHBondContact CB-OG 3.18Å; S117-S119 PolarHBondContact O-N 3.48Å; S117-S119 PolarHBondContact OG-N 3.16Å; S117-S119 PolarHBondContact OG-OG 3.05Å; S119-S121 PolarHBondContact O-N 2.83Å
120	N	31.9	Very low	40.5	Very low	172 Å²	172	140.2 Å²	140.2	92%	0.92	65%	0.651	S	S	*	*			trans	-56.6	68.2	143.8	-87.4	-2.4	0	0	0	106.9	R118 S122	R118-N120 PolarHBondContact O-N 2.93Å; N120-S122 PolarHBondContact O-N 3.34Å
121	S	29.7	Very low	43.4	Very low	90 Å²	90	134 Å²	134	63%	0.629	62%	0.621	S	S	*	*			trans	-77.6	85.9	167.6	-164.7	0	0	0	0	103.4	S119 R123	S119-S121 PolarHBondContact O-N 2.83Å; S121-R123 PolarHBondContact O-N 2.9Å
122	S	36.2	Very low	46.2	Very low	75 Å²	75	129.3 Å²	129.3	52%	0.524	60%	0.602	S	S	.	*			trans	-32.3	108.1	157	46.3	0	0	0	0	108.9	N120 H124	N120-S122 PolarHBondContact O-N 3.34Å; S122-H124 PolarHBondContact O-N 2.76Å
123	R	45.8	Very low	49.3	Very low	139 Å²	139	121 Å²	121	53%	0.525	56%	0.563	S	S	.	*			trans	6.2	86.1	145.7	-73.1	174.3	169.9	172.5	-8.4	112.9	S121 R125 E361	S121-R123 PolarHBondContact O-N 2.9Å; R123-R125 HydrophobicContact CB-CG 4.21Å; R123-R125 VanDerWaalsContact NH1-NH2 3.18Å; R123-R125 PolarHBondContact O-N 2.89Å; R123-R125 VanDerWaalsContact O-N 3.09Å; R123-E361 IonicContact CZ-OE2 3.68Å; R123-E361 IonicContact NH1-OE2 2.95Å; R123-E361 PolarHBondContact NH1-OE2 3.43Å; R123-E361 IonicContact NH2-OE2 3.95Å
124	H	38.2	Very low	52.3	Low	156 Å²	156	113.1 Å²	113.1	72%	0.722	54%	0.539	S	S	*	.			trans	-83.3	69.6	155.8	-82.1	-47.5	0	0	0	106.6	S122 F126	S122-H124 PolarHBondContact O-N 2.76Å; H124-F126 PolarHBondContact O-N 3.44Å
125	R	55.3	Low	55.4	Low	71 Å²	71	102.3 Å²	102.3	27%	0.268	50%	0.501	S	S	.	.			trans	-60.6	112	168.6	-73.1	-174	-172.7	140.9	-8.7	106.4	R123 N127 E361	R123-R125 HydrophobicContact CB-CG 4.21Å; R123-R125 VanDerWaalsContact NH1-NH2 3.18Å; R123-R125 PolarHBondContact O-N 2.89Å; R123-R125 VanDerWaalsContact O-N 3.09Å; R125-N127 PolarHBondContact O-N 3.33Å; R125-N127 VanDerWaalsContact O-N 3.07Å; R125-E361 IonicContact CZ-OE1 3.47Å; R125-E361 IonicContact CZ-OE2 3.46Å; R125-E361 VanDerWaalsContact NH1-CD 3.33Å; R125-E361 IonicContact NH1-OE1 3.61Å; R125-E361 PolarHBondContact NH1-OE1 3.5Å; R125-E361 IonicContact NH1-OE2 2.97Å; R125-E361 IonicContact NH2-OE1 2.88Å; R125-E361 PolarHBondContact NH2-OE1 2.88Å; R125-E361 IonicContact NH2-OE2 3.83Å; R125-E361 PolarHBondContact NH2-OE2 3.28Å
126	F	43.7	Very low	58.5	Low	204 Å²	204	98.5 Å²	98.5	90%	0.895	49%	0.485	S	S	*	.	S	Bend	trans	-60.9	-12	171.7	-95.3	-90.9	0	0	0	112.7	H124	H124-F126 PolarHBondContact O-N 3.44Å
127	N	51.1	Low	61.6	Low	49 Å²	49	89 Å²	89	26%	0.262	45%	0.451	S	S	.	.			trans	-107.9	95.4	174.5	-67.7	-33.7	0	0	0	109.2	R125 V129 T131	R125-N127 PolarHBondContact O-N 3.33Å; R125-N127 VanDerWaalsContact O-N 3.07Å; N127-V129 WeakPolarHBondContact CB-O 3.07Å; N127-V129 PolarHBondContact O-N 3.41Å; N127-T131 PolarHBondContact ND2-OG1 3.24Å
128	E	65.4	Low	64.9	Low	135 Å²	135	84.7 Å²	84.7	63%	0.631	42%	0.421	S	S	*	.	S	Bend	trans	-56	-12.5	162.1	-99.5	-167.4	126	0	0	111.7	H325 L326	E128-H325 VanDerWaalsContact CD-NE2 3.31Å; E128-H325 VanDerWaalsContact CG-NE2 3.33Å; E128-H325 WeakPolarHBondContact CG-NE2 3.45Å; E128-H325 WeakPolarHBondContact O-CA 3.21Å; E128-H325 PolarHBondContact O-CD2 2.91Å; E128-H325 IonicContact OE1-CD2 2.66Å; E128-H325 IonicContact OE1-CE1 2.96Å; E128-H325 IonicContact OE1-NE2 3.68Å; E128-H325 PolarHBondContact OE1-NE2 3.41Å; E128-L326 PolarHBondContact O-N 3.47Å; E128-L326 VanDerWaalsContact O-N 3.07Å
129	V	81.9	Confident	67.8	Low	59 Å²	59	74.7 Å²	74.7	36%	0.358	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-134	142	-168.3	-133.9	0	0	0	0	110.8	N127 T131 G323 Q324	N127-V129 WeakPolarHBondContact CB-O 3.07Å; N127-V129 PolarHBondContact O-N 3.41Å; V129-T131 PolarHBondContact O-N 2.81Å; V129-G323 VanDerWaalsContact CG1-CA 3.46Å; V129-G323 WeakPolarHBondContact CG1-O 3.29Å; V129-Q324 CarbonylContact C-O 3.58Å; V129-Q324 VanDerWaalsContact CA-O 3.27Å; V129-Q324 WeakPolarHBondContact CA-O 3.5Å; V129-Q324 WeakPolarHBondContact CG1-O 3.39Å
130	V	85.1	Confident	71.2	Confident	3 Å²	3	71 Å²	71	2%	0.018	36%	0.358	C	S	.	.			trans	-63.5	120.4	178.2	179.2	0	0	0	0	110.8	L318 F321 R322 G323 Q324 L326 V360	V130-L318 HydrophobicContact CG1-CD2 4.28Å; V130-F321 VanDerWaalsContact CB-O 3.28Å; V130-F321 WeakPolarHBondContact CB-O 3.5Å; V130-F321 HydrophobicContact CG1-CB 4.36Å; V130-F321 HydrophobicContact CG2-CB 4.32Å; V130-R322 CarbonylContact O-C 3.57Å; V130-R322 WeakPolarHBondContact O-CA 3.27Å; V130-G323 PolarHBondContact O-N 2.75Å; V130-Q324 PolarHBondContact N-O 2.78Å; V130-L326 HydrophobicContact CG2-CD2 4.22Å; V130-L326 HydrophobicContact CG2-CG 4.31Å; V130-V360 HydrophobicContact CG2-CG1 3.41Å; V130-V360 VanDerWaalsContact CG2-CG1 3.41Å
131	T	89	Confident	74.2	Confident	47 Å²	47	63 Å²	63	29%	0.288	31%	0.314	S	S	.	.			trans	-133.8	171.6	174.1	60.5	0	0	0	0	109.8	N127 V129 R396	N127-T131 PolarHBondContact ND2-OG1 3.24Å; V129-T131 PolarHBondContact O-N 2.81Å; T131-R396 PolarHBondContact O-NH1 3.09Å; T131-R396 PolarHBondContact O-NH2 3.43Å
132	E	89.6	Confident	77.3	Confident	100 Å²	100	59.7 Å²	59.7	47%	0.467	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-51.4	143.6	168.5	-73.3	163	-142.4	0	0	111	V134 L318 R322	E132-V134 PolarHBondContact O-N 2.95Å; E132-L318 HydrophobicContact CG-CD1 3.57Å; E132-L318 HydrophobicContact CG-CD2 4.4Å; E132-R322 IonicContact OE1-CZ 3.87Å; E132-R322 IonicContact OE1-NH1 3.78Å; E132-R322 PolarHBondContact OE1-NH1 3.26Å; E132-R322 IonicContact OE1-NH2 2.87Å; E132-R322 PolarHBondContact OE1-NH2 3.08Å
133	L	91.2	Very high	79.9	Confident	6 Å²	6	59.3 Å²	59.3	3%	0.031	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-61	132.3	178.2	-73.1	173.7	0	0	0	110.7	E137 V138 R165 Q295 R396	L133-E137 WeakPolarHBondContact CA-OE2 3.2Å; L133-E137 HydrophobicContact CB-CB 4.46Å; L133-E137 HydrophobicContact CD2-CB 3.8Å; L133-E137 HydrophobicContact CD2-CG 4.41Å; L133-E137 WeakPolarHBondContact CD2-OE2 3.32Å; L133-V138 HydrophobicContact CB-CG2 4.12Å; L133-V138 HydrophobicContact CD1-CG2 4.34Å; L133-R165 PolarHBondContact O-NH1 3.23Å; L133-R165 PolarHBondContact O-NH2 2.9Å; L133-Q295 HydrophobicContact CD1-CB 3.73Å; L133-Q295 HydrophobicContact CD1-CG 3.99Å; L133-R396 HydrophobicContact CD1-CG 4.43Å; L133-R396 HydrophobicContact CD2-CG 4.12Å
134	V	92.8	Very high	81.6	Confident	54 Å²	54	57.3 Å²	57.3	33%	0.327	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-72.5	155.3	170.8	-60.2	0	0	0	0	109.8	E132 E136 E137	E132-V134 PolarHBondContact O-N 2.95Å; V134-E136 VanDerWaalsContact CB-OE2 3.31Å; V134-E136 WeakPolarHBondContact CB-OE2 3.31Å; V134-E136 HydrophobicContact CG2-CB 4.17Å; V134-E136 VanDerWaalsContact CG2-OE2 3.31Å; V134-E136 WeakPolarHBondContact CG2-OE2 3.25Å; V134-E136 PolarHBondContact O-N 3.45Å; V134-E136 VanDerWaalsContact O-N 3.08Å; V134-E137 HydrophobicContact CG2-CB 4.3Å; V134-E137 HydrophobicContact CG2-CG 3.65Å; V134-E137 WeakPolarHBondContact CG2-OE2 3.39Å; V134-E137 PolarHBondContact N-OE2 3.08Å; V134-E137 PolarHBondContact O-N 2.87Å
135	P	93.7	Very high	83.5	Confident	19 Å²	19	53.9 Å²	53.9	12%	0.123	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-52.4	-31.4	-179.7	-27.3	35.2	0	0	0	113.9	E137 V138 L158 E161 L162	P135-E137 VanDerWaalsContact C-N 3.31Å; P135-E137 PolarHBondContact O-N 2.56Å; P135-V138 PolarHBondContact O-N 3.22Å; P135-L158 HydrophobicContact CB-CD1 3.66Å; P135-E161 HydrophobicContact CB-CG 3.84Å; P135-L162 HydrophobicContact CB-CD2 4.22Å; P135-L162 HydrophobicContact CG-CD2 4.01Å
136	E	93.9	Very high	84.4	Confident	72 Å²	72	58.5 Å²	58.5	34%	0.336	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-68.7	-27.3	-179.7	-60.7	78.3	-174.5	0	0	112.9	V134 L158 E401 A402	V134-E136 VanDerWaalsContact CB-OE2 3.31Å; V134-E136 WeakPolarHBondContact CB-OE2 3.31Å; V134-E136 HydrophobicContact CG2-CB 4.17Å; V134-E136 VanDerWaalsContact CG2-OE2 3.31Å; V134-E136 WeakPolarHBondContact CG2-OE2 3.25Å; V134-E136 PolarHBondContact O-N 3.45Å; V134-E136 VanDerWaalsContact O-N 3.08Å; E136-L158 HydrophobicContact CG-CD1 4.18Å; E136-E401 HydrophobicContact CB-CB 4.43Å; E136-E401 CarbonylContact O-C 3.5Å; E136-E401 WeakPolarHBondContact O-CA 3.25Å; E136-A402 WeakPolarHBondContact CG-O 3.4Å; E136-A402 PolarHBondContact O-N 3.35Å
137	E	92.4	Very high	86	Confident	34 Å²	34	57.8 Å²	57.8	16%	0.159	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-85.4	-11.3	178.8	-65.5	174.2	125.5	0	0	112.5	L133 V134 P135 G397 Y398	L133-E137 WeakPolarHBondContact CA-OE2 3.2Å; L133-E137 HydrophobicContact CB-CB 4.46Å; L133-E137 HydrophobicContact CD2-CB 3.8Å; L133-E137 HydrophobicContact CD2-CG 4.41Å; L133-E137 WeakPolarHBondContact CD2-OE2 3.32Å; V134-E137 HydrophobicContact CG2-CB 4.3Å; V134-E137 HydrophobicContact CG2-CG 3.65Å; V134-E137 WeakPolarHBondContact CG2-OE2 3.39Å; V134-E137 PolarHBondContact N-OE2 3.08Å; V134-E137 PolarHBondContact O-N 2.87Å; P135-E137 VanDerWaalsContact C-N 3.31Å; P135-E137 PolarHBondContact O-N 2.56Å; E137-G397 CarbonylContact O-C 3.54Å; E137-G397 WeakPolarHBondContact O-CA 3.44Å; E137-Y398 PolarHBondContact O-N 2.85Å
138	V	95.3	Very high	87.7	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.283	C	S	.	.			trans	-91.6	139.8	178.7	178.9	0	0	0	0	110	L133 P135 E161 R293 G294 Q295	L133-V138 HydrophobicContact CB-CG2 4.12Å; L133-V138 HydrophobicContact CD1-CG2 4.34Å; P135-V138 PolarHBondContact O-N 3.22Å; V138-E161 HydrophobicContact CB-CG 4.21Å; V138-E161 HydrophobicContact CG1-CG 4.34Å; V138-R293 HydrophobicContact CG1-CG 3.89Å; V138-G294 WeakPolarHBondContact CG1-O 3.31Å; V138-Q295 HydrophobicContact CG2-CG 4.37Å
139	R	96.6	Very high	88.9	Confident	7 Å²	7	54.1 Å²	54.1	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.4	177.7	-173.7	64.3	59.6	-152.5	-1.6	110.2	F141 P151 F152 G154 S157 G294 F297 Y398 E400 A402	R139-F141 HydrophobicContact CB-CE2 3.74Å; R139-F141 HydrophobicContact CB-CZ 4.29Å; R139-F141 HydrophobicContact CG-CD2 4.3Å; R139-F141 HydrophobicContact CG-CE2 3.5Å; R139-F141 HydrophobicContact CG-CZ 3.76Å; R139-F141 WeakPolarHBondContact O-CD2 3.45Å; R139-F141 WeakPolarHBondContact O-CE2 3.38Å; R139-P151 HydrophobicContact CG-CB 3.88Å; R139-F152 WeakPolarHBondContact CD-O 3.31Å; R139-G154 PolarHBondContact NH1-O 3.49Å; R139-S157 VanDerWaalsContact CD-OG 3.27Å; R139-S157 WeakPolarHBondContact CD-OG 3Å; R139-S157 PolarHBondContact NH1-OG 2.86Å; R139-G294 PolarHBondContact N-O 2.66Å; R139-G294 WeakPolarHBondContact O-CA 3.25Å; R139-G294 PolarHBondContact O-N 2.84Å; R139-F297 HydrophobicContact CB-CZ 4.05Å; R139-Y398 HydrophobicContact CB-CD1 3.96Å; R139-Y398 HydrophobicContact CB-CD2 3.76Å; R139-Y398 HydrophobicContact CB-CE2 4.39Å; R139-Y398 HydrophobicContact CB-CG 3.51Å; R139-Y398 HydrophobicContact CG-CD1 3.83Å; R139-Y398 HydrophobicContact CG-CD2 3.92Å; R139-Y398 HydrophobicContact CG-CE1 3.95Å; R139-Y398 HydrophobicContact CG-CE2 4.05Å; R139-Y398 HydrophobicContact CG-CG 3.8Å; R139-E400 PolarHBondContact NH2-O 3.11Å; R139-A402 VanDerWaalsContact NH2-CA 3.27Å; R139-A402 VanDerWaalsContact NH2-N 3.15Å
140	W	96.3	Very high	89.4	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	146.6	174.8	-77.2	76.2	0	0	0	110.3	F152 I160 E161 F164 V291 M292 R293	W140-F152 HydrophobicContact CB-CD2 3.83Å; W140-F152 WeakPolarHBondContact O-CD2 3.39Å; W140-F152 PolarHBondContact O-N 3.19Å; W140-I160 HydrophobicContact CB-CD1 3.98Å; W140-I160 HydrophobicContact CB-CG2 4.48Å; W140-I160 HydrophobicContact CD2-CB 4.13Å; W140-I160 HydrophobicContact CD2-CG2 3.29Å; W140-I160 VanDerWaalsContact CE2-CG2 3.45Å; W140-I160 HydrophobicContact CE3-CG2 3.5Å; W140-I160 HydrophobicContact CG-CB 4.05Å; W140-I160 HydrophobicContact CG-CD1 4.32Å; W140-I160 HydrophobicContact CG-CG2 3.75Å; W140-I160 HydrophobicContact CH2-CG2 3.9Å; W140-I160 HydrophobicContact CZ2-CG2 3.78Å; W140-I160 HydrophobicContact CZ3-CG2 3.79Å; W140-E161 PolarHBondContact NE1-OE2 3.15Å; W140-F164 HydrophobicContact CH2-CB 4.11Å; W140-F164 HydrophobicContact CH2-CD2 4.03Å; W140-F164 HydrophobicContact CH2-CG 4Å; W140-F164 HydrophobicContact CZ2-CB 3.59Å; W140-F164 HydrophobicContact CZ2-CD1 4.01Å; W140-F164 HydrophobicContact CZ2-CD2 4.13Å; W140-F164 AromaticContact CZ2-CG 3.62Å; W140-F164 HydrophobicContact CZ2-CG 3.62Å; W140-V291 HydrophobicContact CE3-CG2 4.37Å; W140-V291 HydrophobicContact CZ3-CG2 4.17Å; W140-M292 WeakPolarHBondContact CA-O 3.48Å; W140-R293 HydrophobicContact CD2-CB 4.16Å; W140-R293 HydrophobicContact CD2-CG 4.44Å; W140-R293 HydrophobicContact CE3-CB 4.27Å; W140-R293 HydrophobicContact CH2-CB 4.06Å; W140-R293 HydrophobicContact CZ2-CB 3.85Å; W140-R293 HydrophobicContact CZ2-CG 3.9Å; W140-R293 HydrophobicContact CZ3-CB 4.25Å
141	F	95.4	Very high	89.9	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.009	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	152.6	-177.4	-68.1	-106.7	0	0	0	110.5	R139 W149 K150 P151 V291 M292 F297 P304 Y398	R139-F141 HydrophobicContact CB-CE2 3.74Å; R139-F141 HydrophobicContact CB-CZ 4.29Å; R139-F141 HydrophobicContact CG-CD2 4.3Å; R139-F141 HydrophobicContact CG-CE2 3.5Å; R139-F141 HydrophobicContact CG-CZ 3.76Å; R139-F141 WeakPolarHBondContact O-CD2 3.45Å; R139-F141 WeakPolarHBondContact O-CE2 3.38Å; F141-W149 HydrophobicContact CB-CB 4.4Å; F141-W149 HydrophobicContact CB-CE3 3.83Å; F141-W149 HydrophobicContact CD1-CB 4.2Å; F141-K150 CarbonylContact C-O 3.54Å; F141-K150 VanDerWaalsContact CA-O 3.23Å; F141-K150 WeakPolarHBondContact CA-O 3.46Å; F141-K150 VanDerWaalsContact CD1-C 3.45Å; F141-P151 HydrophobicContact CD1-CB 4.02Å; F141-P151 HydrophobicContact CE1-CB 3.64Å; F141-P151 HydrophobicContact CE1-CG 4.19Å; F141-P151 HydrophobicContact CZ-CB 3.97Å; F141-V291 CarbonylContact O-C 3.59Å; F141-V291 WeakPolarHBondContact O-CA 3.21Å; F141-V291 WeakPolarHBondContact O-CB 3.37Å; F141-M292 PolarHBondContact N-O 2.97Å; F141-M292 PolarHBondContact O-N 2.73Å; F141-F297 AromaticContact CE2-CE1 3.54Å; F141-F297 HydrophobicContact CE2-CE1 3.54Å; F141-F297 HydrophobicContact CE2-CZ 4.21Å; F141-F297 HydrophobicContact CZ-CD1 4.37Å; F141-F297 AromaticContact CZ-CE1 3.7Å; F141-F297 HydrophobicContact CZ-CE1 3.7Å; F141-P304 HydrophobicContact CB-CG 4.43Å; F141-P304 HydrophobicContact CD1-CG 4.02Å; F141-P304 HydrophobicContact CD2-CB 4.18Å; F141-P304 HydrophobicContact CD2-CG 3.75Å; F141-P304 HydrophobicContact CE1-CG 4.22Å; F141-P304 HydrophobicContact CE2-CB 4.17Å; F141-P304 HydrophobicContact CE2-CG 4Å; F141-P304 HydrophobicContact CG-CG 3.79Å; F141-P304 HydrophobicContact CZ-CG 4.22Å; F141-Y398 HydrophobicContact CZ-CD2 4.22Å; F141-Y398 AromaticContact CZ-CE2 3.73Å; F141-Y398 HydrophobicContact CZ-CE2 3.73Å
142	Y	94.1	Very high	90.2	Very high	22 Å²	22	55.5 Å²	55.5	9%	0.086	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	151.8	167.7	67.7	-87.3	0	0	0	110.3	E144 W149 K150 F152 I289 P290	Y142-E144 HydrophobicContact CE2-CB 4.15Å; Y142-E144 PolarHBondContact O-N 2.86Å; Y142-W149 VanDerWaalsContact C-CE3 3.43Å; Y142-K150 HydrophobicContact CD1-CB 4.43Å; Y142-K150 WeakPolarHBondContact CD1-O 3.44Å; Y142-K150 HydrophobicContact CE1-CB 3.86Å; Y142-K150 HydrophobicContact CE2-CB 4.08Å; Y142-K150 PolarHBondContact N-O 2.91Å; Y142-K150 PolarHBondContact O-N 2.77Å; Y142-F152 AromaticContact CD1-CD1 3.79Å; Y142-F152 HydrophobicContact CD1-CD1 3.79Å; Y142-F152 HydrophobicContact CD1-CD2 4.21Å; Y142-F152 AromaticContact CD1-CE1 3.63Å; Y142-F152 HydrophobicContact CD1-CE1 3.63Å; Y142-F152 HydrophobicContact CD1-CE2 4.08Å; Y142-F152 HydrophobicContact CD1-CG 4.09Å; Y142-F152 AromaticContact CD1-CZ 3.81Å; Y142-F152 HydrophobicContact CD1-CZ 3.81Å; Y142-F152 HydrophobicContact CE1-CD1 4.31Å; Y142-F152 HydrophobicContact CE1-CE1 4.4Å; Y142-F152 HydrophobicContact CG-CE1 4.2Å; Y142-F152 HydrophobicContact CG-CE2 4.42Å; Y142-F152 HydrophobicContact CG-CZ 4.05Å; Y142-I289 HydrophobicContact CD2-CG2 4.25Å; Y142-P290 WeakPolarHBondContact CA-O 3.2Å
143	K	90.8	Very high	90.3	Very high	67 Å²	67	54.3 Å²	54.3	29%	0.291	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	108.2	-178.5	-168.4	160.5	-172.5	178.7	0	110.3	D145 K146 W149 I289 P290	K143-D145 WeakPolarHBondContact CE-O 3.22Å; K143-D145 WeakPolarHBondContact CG-O 3.43Å; K143-K146 VanDerWaalsContact CE-C 3.46Å; K143-K146 WeakPolarHBondContact CE-O 3.3Å; K143-K146 PolarHBondContact NZ-O 3.42Å; K143-W149 HydrophobicContact CB-CD2 4.37Å; K143-W149 HydrophobicContact CB-CE3 3.95Å; K143-W149 HydrophobicContact CB-CH2 4.06Å; K143-W149 HydrophobicContact CB-CZ2 4.46Å; K143-W149 HydrophobicContact CB-CZ3 3.79Å; K143-W149 HydrophobicContact CD-CH2 4.35Å; K143-W149 HydrophobicContact CD-CZ2 4.09Å; K143-I289 VanDerWaalsContact O-CG2 3.25Å; K143-I289 WeakPolarHBondContact O-CG2 3.36Å; K143-P290 HydrophobicContact CB-CB 4.26Å; K143-P290 HydrophobicContact CB-CG 4.44Å; K143-P290 HydrophobicContact CD-CB 4.46Å; K143-P290 HydrophobicContact CD-CG 4.28Å; K143-P290 PolarHBondContact N-O 3.31Å
144	E	82.1	Confident	90.4	Very high	96 Å²	96	54.4 Å²	54.4	45%	0.449	26%	0.263	S	S	.	.	S	Bend	trans	-77.5	-39.1	-177.1	-177.4	174.3	-107.6	0	0	112.1	Y142 T148 K150	Y142-E144 HydrophobicContact CE2-CB 4.15Å; Y142-E144 PolarHBondContact O-N 2.86Å; E144-T148 PolarHBondContact N-O 3.43Å; E144-K150 HydrophobicContact CB-CD 4.18Å; E144-K150 HydrophobicContact CB-CG 4.33Å; E144-K150 HydrophobicContact CG-CD 4.46Å; E144-K150 WeakPolarHBondContact OE1-CD 3.46Å; E144-K150 WeakPolarHBondContact OE1-CE 3.45Å; E144-K150 IonicContact OE1-NZ 3.44Å; E144-K150 PolarHBondContact OE1-NZ 3.49Å; E144-K150 WeakPolarHBondContact OE2-CE 3.5Å; E144-K150 IonicContact OE2-NZ 3.45Å; E144-K150 PolarHBondContact OE2-NZ 3.21Å
145	D	77.8	Confident	90.4	Very high	84 Å²	84	52.7 Å²	52.7	45%	0.449	25%	0.251	S	S	.	.	S	Bend	trans	-138.1	-174.5	173.2	71.8	8.6	0	0	0	110	K143 K147 T148	K143-D145 WeakPolarHBondContact CE-O 3.22Å; K143-D145 WeakPolarHBondContact CG-O 3.43Å; D145-K147 PolarHBondContact O-N 2.86Å; D145-K147 PolarHBondContact OD1-N 3.22Å; D145-T148 WeakPolarHBondContact OD1-CA 3.38Å; D145-T148 VanDerWaalsContact OD1-CB 3.25Å; D145-T148 WeakPolarHBondContact OD1-CB 3.37Å; D145-T148 WeakPolarHBondContact OD1-CG2 3.46Å; D145-T148 PolarHBondContact OD1-N 3.44Å; D145-T148 PolarHBondContact OD1-OG1 2.93Å; D145-T148 PolarHBondContact OD2-OG1 3.31Å
146	K	75.1	Confident	90.4	Very high	169 Å²	169	52 Å²	52	74%	0.735	25%	0.246	S	C	*	.	S	Bend	trans	-59.4	-16.6	-177.6	-66.9	-172.9	178.7	-176.2	0	114.2	K143	K143-K146 VanDerWaalsContact CE-C 3.46Å; K143-K146 WeakPolarHBondContact CE-O 3.3Å; K143-K146 PolarHBondContact NZ-O 3.42Å
147	K	76.5	Confident	90.5	Very high	189 Å²	189	48.5 Å²	48.5	82%	0.822	23%	0.23	S	C	*	.	S	Bend	trans	-127.7	-13.5	-169.7	-63.7	-176.9	-178.8	177	0	114.9	D145	D145-K147 PolarHBondContact O-N 2.86Å; D145-K147 PolarHBondContact OD1-N 3.22Å
148	T	86.6	Confident	90.6	Very high	54 Å²	54	47.6 Å²	47.6	33%	0.331	23%	0.227	S	C	.	.			trans	-118.3	125.5	-168.6	63.1	0	0	0	0	111.6	E144 D145	E144-T148 PolarHBondContact N-O 3.43Å; D145-T148 WeakPolarHBondContact OD1-CA 3.38Å; D145-T148 VanDerWaalsContact OD1-CB 3.25Å; D145-T148 WeakPolarHBondContact OD1-CB 3.37Å; D145-T148 WeakPolarHBondContact OD1-CG2 3.46Å; D145-T148 PolarHBondContact OD1-N 3.44Å; D145-T148 PolarHBondContact OD1-OG1 2.93Å; D145-T148 PolarHBondContact OD2-OG1 3.31Å
149	W	90.9	Very high	90.6	Very high	52 Å²	52	51.8 Å²	51.8	20%	0.197	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131.3	171.2	-72.3	107	0	0	0	109.2	F141 Y142 K143 P290 M292 L303	F141-W149 HydrophobicContact CB-CB 4.4Å; F141-W149 HydrophobicContact CB-CE3 3.83Å; F141-W149 HydrophobicContact CD1-CB 4.2Å; Y142-W149 VanDerWaalsContact C-CE3 3.43Å; K143-W149 HydrophobicContact CB-CD2 4.37Å; K143-W149 HydrophobicContact CB-CE3 3.95Å; K143-W149 HydrophobicContact CB-CH2 4.06Å; K143-W149 HydrophobicContact CB-CZ2 4.46Å; K143-W149 HydrophobicContact CB-CZ3 3.79Å; K143-W149 HydrophobicContact CD-CH2 4.35Å; K143-W149 HydrophobicContact CD-CZ2 4.09Å; W149-P290 HydrophobicContact CH2-CB 3.98Å; W149-P290 WeakPolarHBondContact CZ3-O 3.28Å; W149-M292 HydrophobicContact CD2-CE 4.01Å; W149-M292 HydrophobicContact CE3-CB 4.33Å; W149-M292 HydrophobicContact CE3-CE 4.47Å; W149-M292 HydrophobicContact CG-CE 4.34Å; W149-M292 HydrophobicContact CH2-CB 3.68Å; W149-M292 HydrophobicContact CZ2-CB 4.23Å; W149-M292 HydrophobicContact CZ2-CE 4.05Å; W149-M292 HydrophobicContact CZ2-SD 4.28Å; W149-M292 HydrophobicContact CZ3-CB 3.74Å; W149-L303 HydrophobicContact CB-CD2 4.41Å
150	K	93.3	Very high	90.5	Very high	81 Å²	81	51.5 Å²	51.5	35%	0.352	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	136.4	174.2	-77.4	-167.8	170.8	174.3	0	110.6	F141 Y142 E144	F141-K150 CarbonylContact C-O 3.54Å; F141-K150 VanDerWaalsContact CA-O 3.23Å; F141-K150 WeakPolarHBondContact CA-O 3.46Å; F141-K150 VanDerWaalsContact CD1-C 3.45Å; Y142-K150 HydrophobicContact CD1-CB 4.43Å; Y142-K150 WeakPolarHBondContact CD1-O 3.44Å; Y142-K150 HydrophobicContact CE1-CB 3.86Å; Y142-K150 HydrophobicContact CE2-CB 4.08Å; Y142-K150 PolarHBondContact N-O 2.91Å; Y142-K150 PolarHBondContact O-N 2.77Å; E144-K150 HydrophobicContact CB-CD 4.18Å; E144-K150 HydrophobicContact CB-CG 4.33Å; E144-K150 HydrophobicContact CG-CD 4.46Å; E144-K150 WeakPolarHBondContact OE1-CD 3.46Å; E144-K150 WeakPolarHBondContact OE1-CE 3.45Å; E144-K150 IonicContact OE1-NZ 3.44Å; E144-K150 PolarHBondContact OE1-NZ 3.49Å; E144-K150 WeakPolarHBondContact OE2-CE 3.5Å; E144-K150 IonicContact OE2-NZ 3.45Å; E144-K150 PolarHBondContact OE2-NZ 3.21Å
151	P	94.5	Very high	90.5	Very high	52 Å²	52	51.5 Å²	51.5	34%	0.338	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	141	176.5	28.6	-33.5	0	0	0	110	R139 F141	R139-P151 HydrophobicContact CG-CB 3.88Å; F141-P151 HydrophobicContact CD1-CB 4.02Å; F141-P151 HydrophobicContact CE1-CB 3.64Å; F141-P151 HydrophobicContact CE1-CG 4.19Å; F141-P151 HydrophobicContact CZ-CB 3.97Å
152	F	94.6	Very high	90.5	Very high	5 Å²	5	55.7 Å²	55.7	2%	0.022	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-66.5	154.1	158.8	-72.8	-75	0	0	0	109.4	R139 W140 Y142 D156 S157 I160 V240 R241 V247 V291	R139-F152 WeakPolarHBondContact CD-O 3.31Å; W140-F152 HydrophobicContact CB-CD2 3.83Å; W140-F152 WeakPolarHBondContact O-CD2 3.39Å; W140-F152 PolarHBondContact O-N 3.19Å; Y142-F152 AromaticContact CD1-CD1 3.79Å; Y142-F152 HydrophobicContact CD1-CD1 3.79Å; Y142-F152 HydrophobicContact CD1-CD2 4.21Å; Y142-F152 AromaticContact CD1-CE1 3.63Å; Y142-F152 HydrophobicContact CD1-CE1 3.63Å; Y142-F152 HydrophobicContact CD1-CE2 4.08Å; Y142-F152 HydrophobicContact CD1-CG 4.09Å; Y142-F152 AromaticContact CD1-CZ 3.81Å; Y142-F152 HydrophobicContact CD1-CZ 3.81Å; Y142-F152 HydrophobicContact CE1-CD1 4.31Å; Y142-F152 HydrophobicContact CE1-CE1 4.4Å; Y142-F152 HydrophobicContact CG-CE1 4.2Å; Y142-F152 HydrophobicContact CG-CE2 4.42Å; Y142-F152 HydrophobicContact CG-CZ 4.05Å; F152-D156 HydrophobicContact CB-CB 4.18Å; F152-S157 WeakPolarHBondContact CB-OG 3.46Å; F152-S157 PolarHBondContact O-OG 3.37Å; F152-I160 HydrophobicContact CD2-CD1 3.72Å; F152-I160 HydrophobicContact CE2-CD1 3.91Å; F152-I160 HydrophobicContact CG-CD1 4.06Å; F152-I160 HydrophobicContact CZ-CD1 4.4Å; F152-V240 HydrophobicContact CD1-CB 4.16Å; F152-V240 HydrophobicContact CD1-CG2 4.35Å; F152-V240 HydrophobicContact CE1-CB 3.91Å; F152-V240 HydrophobicContact CE1-CG1 4.37Å; F152-V240 HydrophobicContact CE1-CG2 3.6Å; F152-V240 HydrophobicContact CZ-CG2 4.22Å; F152-R241 HydrophobicContact CD1-CG 4.12Å; F152-R241 HydrophobicContact CE1-CG 3.95Å; F152-V247 HydrophobicContact CZ-CG2 3.99Å; F152-V291 HydrophobicContact CE2-CB 4.28Å; F152-V291 HydrophobicContact CE2-CG1 3.68Å; F152-V291 HydrophobicContact CZ-CG1 3.77Å
153	I	92.5	Very high	90.5	Very high	76 Å²	76	56.7 Å²	56.7	39%	0.39	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-60	160.6	173.4	61.4	176.9	0	0	0	111	H155 D156 S157 P408	I153-H155 PolarHBondContact O-N 2.88Å; I153-D156 HydrophobicContact CG1-CB 3.74Å; I153-D156 VanDerWaalsContact CG1-CG 3.48Å; I153-D156 PolarHBondContact O-N 3.44Å; I153-S157 PolarHBondContact O-N 3.39Å; I153-S157 PolarHBondContact O-OG 3.45Å; I153-P408 HydrophobicContact CD1-CG 4.36Å
154	G	92.4	Very high	90.6	Very high	8 Å²	8	54.4 Å²	54.4	8%	0.082	26%	0.262	C	S	.	.	H	α-helix	trans	-31.7	-73.7	172.5	0	0	0	0	0	114.1	R139 D156 S157 L158 A402 D406	R139-G154 PolarHBondContact NH1-O 3.49Å; G154-D156 VanDerWaalsContact C-N 3.33Å; G154-D156 PolarHBondContact O-N 3.32Å; G154-S157 PolarHBondContact O-N 2.88Å; G154-L158 PolarHBondContact O-N 3.5Å; G154-A402 WeakPolarHBondContact O-CB 3.3Å; G154-D406 WeakPolarHBondContact CA-OD2 3.3Å
155	H	92.9	Very high	91.1	Very high	17 Å²	17	53.2 Å²	53.2	8%	0.079	25%	0.253	C	S	.	.	H	α-helix	trans	-53.5	-43.7	-177.3	167.2	-86.8	0	0	0	113.8	I153 L158 K159 S403 D406	I153-H155 PolarHBondContact O-N 2.88Å; H155-L158 PolarHBondContact O-N 3.33Å; H155-K159 WeakPolarHBondContact CE1-CE 3.38Å; H155-K159 PolarHBondContact CE1-NZ 3.21Å; H155-K159 WeakPolarHBondContact NE2-CE 3.34Å; H155-K159 PolarHBondContact NE2-NZ 3.38Å; H155-K159 WeakPolarHBondContact O-CG 3.35Å; H155-K159 PolarHBondContact O-N 3.33Å; H155-K159 VanDerWaalsContact O-N 3.13Å; H155-S403 WeakPolarHBondContact CA-O 3.36Å; H155-S403 PolarHBondContact N-O 2.94Å; H155-D406 HydrophobicContact CB-CB 4.11Å; H155-D406 WeakPolarHBondContact CB-O 3.47Å
156	D	94.7	Very high	91.8	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-69.8	-44.7	-178.4	-71.1	0.9	0	0	0	110.7	F152 I153 G154 L158 K159 I160 V240 R241	F152-D156 HydrophobicContact CB-CB 4.18Å; I153-D156 HydrophobicContact CG1-CB 3.74Å; I153-D156 VanDerWaalsContact CG1-CG 3.48Å; I153-D156 PolarHBondContact O-N 3.44Å; G154-D156 VanDerWaalsContact C-N 3.33Å; G154-D156 PolarHBondContact O-N 3.32Å; D156-L158 VanDerWaalsContact C-N 3.28Å; D156-L158 PolarHBondContact O-N 3.02Å; D156-K159 PolarHBondContact O-N 3.31Å; D156-I160 WeakPolarHBondContact O-CD1 3.48Å; D156-I160 WeakPolarHBondContact O-CG1 3.37Å; D156-I160 PolarHBondContact O-N 3.16Å; D156-V240 HydrophobicContact CB-CB 4.29Å; D156-V240 HydrophobicContact CB-CG1 4.08Å; D156-V240 WeakPolarHBondContact OD2-CA 3.29Å; D156-R241 PolarHBondContact OD2-N 2.81Å
157	S	95.6	Very high	92.6	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.9	-40.8	177	-54.4	0	0	0	0	111.9	R139 F152 I153 G154 I160 E161	R139-S157 VanDerWaalsContact CD-OG 3.27Å; R139-S157 WeakPolarHBondContact CD-OG 3Å; R139-S157 PolarHBondContact NH1-OG 2.86Å; F152-S157 WeakPolarHBondContact CB-OG 3.46Å; F152-S157 PolarHBondContact O-OG 3.37Å; I153-S157 PolarHBondContact O-N 3.39Å; I153-S157 PolarHBondContact O-OG 3.45Å; G154-S157 PolarHBondContact O-N 2.88Å; S157-I160 PolarHBondContact O-N 3.38Å; S157-E161 WeakPolarHBondContact O-CB 3.29Å; S157-E161 PolarHBondContact O-N 2.88Å
158	L	94.9	Very high	93.3	Very high	15 Å²	15	38.9 Å²	38.9	8%	0.079	19%	0.189	C	C	.	.	H	α-helix	trans	-62.4	-45.3	178.2	-175.4	62.7	0	0	0	111	P135 E136 G154 H155 D156 E161 L162 A402 P404	P135-L158 HydrophobicContact CB-CD1 3.66Å; E136-L158 HydrophobicContact CG-CD1 4.18Å; G154-L158 PolarHBondContact O-N 3.5Å; H155-L158 PolarHBondContact O-N 3.33Å; D156-L158 VanDerWaalsContact C-N 3.28Å; D156-L158 PolarHBondContact O-N 3.02Å; L158-E161 PolarHBondContact O-N 3.39Å; L158-L162 HydrophobicContact CD1-CD1 4.47Å; L158-L162 HydrophobicContact CD1-CG 4.48Å; L158-L162 HydrophobicContact CG-CD1 4.19Å; L158-L162 WeakPolarHBondContact O-CB 3.24Å; L158-L162 VanDerWaalsContact O-CG 3.24Å; L158-L162 WeakPolarHBondContact O-CG 3.38Å; L158-L162 PolarHBondContact O-N 2.66Å; L158-A402 HydrophobicContact CB-CB 4.06Å; L158-P404 HydrophobicContact CD2-CB 4.4Å
159	K	94.6	Very high	93.4	Very high	88 Å²	88	43.5 Å²	43.5	38%	0.383	21%	0.207	S	C	.	.	H	α-helix	trans	-62.5	-44.8	176.4	-75	-175.3	175.9	-177.3	0	112.6	H155 D156 E161 M163 V238	H155-K159 WeakPolarHBondContact CE1-CE 3.38Å; H155-K159 PolarHBondContact CE1-NZ 3.21Å; H155-K159 WeakPolarHBondContact NE2-CE 3.34Å; H155-K159 PolarHBondContact NE2-NZ 3.38Å; H155-K159 WeakPolarHBondContact O-CG 3.35Å; H155-K159 PolarHBondContact O-N 3.33Å; H155-K159 VanDerWaalsContact O-N 3.13Å; D156-K159 PolarHBondContact O-N 3.31Å; K159-E161 VanDerWaalsContact C-N 3.34Å; K159-M163 WeakPolarHBondContact O-CB 3.19Å; K159-M163 VanDerWaalsContact O-CG 3.29Å; K159-M163 WeakPolarHBondContact O-CG 3.47Å; K159-M163 PolarHBondContact O-N 3.17Å; K159-M163 VanDerWaalsContact O-N 3.08Å; K159-V238 HydrophobicContact CB-CG1 3.77Å
160	I	95.5	Very high	93.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.5	-47.3	177.2	-60.1	161.8	0	0	0	109.5	W140 F152 D156 S157 L162 M163 F164 V238 V240 V247 I249	W140-I160 HydrophobicContact CB-CD1 3.98Å; W140-I160 HydrophobicContact CB-CG2 4.48Å; W140-I160 HydrophobicContact CD2-CB 4.13Å; W140-I160 HydrophobicContact CD2-CG2 3.29Å; W140-I160 VanDerWaalsContact CE2-CG2 3.45Å; W140-I160 HydrophobicContact CE3-CG2 3.5Å; W140-I160 HydrophobicContact CG-CB 4.05Å; W140-I160 HydrophobicContact CG-CD1 4.32Å; W140-I160 HydrophobicContact CG-CG2 3.75Å; W140-I160 HydrophobicContact CH2-CG2 3.9Å; W140-I160 HydrophobicContact CZ2-CG2 3.78Å; W140-I160 HydrophobicContact CZ3-CG2 3.79Å; F152-I160 HydrophobicContact CD2-CD1 3.72Å; F152-I160 HydrophobicContact CE2-CD1 3.91Å; F152-I160 HydrophobicContact CG-CD1 4.06Å; F152-I160 HydrophobicContact CZ-CD1 4.4Å; D156-I160 WeakPolarHBondContact O-CD1 3.48Å; D156-I160 WeakPolarHBondContact O-CG1 3.37Å; D156-I160 PolarHBondContact O-N 3.16Å; S157-I160 PolarHBondContact O-N 3.38Å; I160-L162 PolarHBondContact O-N 2.8Å; I160-M163 PolarHBondContact O-N 3.05Å; I160-F164 WeakPolarHBondContact O-CB 3.33Å; I160-F164 PolarHBondContact O-N 3.41Å; I160-V238 HydrophobicContact CG1-CB 4.36Å; I160-V238 HydrophobicContact CG1-CG1 4.08Å; I160-V240 HydrophobicContact CD1-CG1 3.87Å; I160-V240 HydrophobicContact CG1-CG1 4.02Å; I160-V247 HydrophobicContact CD1-CG2 4.13Å; I160-V247 HydrophobicContact CG1-CG2 4.39Å; I160-V247 HydrophobicContact CG2-CG1 4.35Å; I160-I249 HydrophobicContact CB-CD1 4.36Å; I160-I249 HydrophobicContact CG2-CD1 3.49Å; I160-I249 VanDerWaalsContact CG2-CD1 3.49Å
161	E	95.8	Very high	93	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.5	-43.1	-179.1	179.4	62.9	-174.6	0	0	112.8	P135 V138 W140 S157 L158 K159 M163 F164 R165 R293	P135-E161 HydrophobicContact CB-CG 3.84Å; V138-E161 HydrophobicContact CB-CG 4.21Å; V138-E161 HydrophobicContact CG1-CG 4.34Å; W140-E161 PolarHBondContact NE1-OE2 3.15Å; S157-E161 WeakPolarHBondContact O-CB 3.29Å; S157-E161 PolarHBondContact O-N 2.88Å; L158-E161 PolarHBondContact O-N 3.39Å; K159-E161 VanDerWaalsContact C-N 3.34Å; E161-M163 VanDerWaalsContact C-N 3.31Å; E161-M163 PolarHBondContact O-N 2.95Å; E161-F164 PolarHBondContact O-N 3.39Å; E161-R165 WeakPolarHBondContact O-CG 3.4Å; E161-R165 PolarHBondContact O-N 3.21Å; E161-R165 IonicContact OE1-CZ 3.75Å; E161-R165 IonicContact OE1-NE 3.07Å; E161-R165 PolarHBondContact OE1-NE 3.08Å; E161-R165 IonicContact OE1-NH2 2.92Å; E161-R165 PolarHBondContact OE1-NH2 3.46Å; E161-R293 IonicContact OE1-CZ 3.67Å; E161-R293 IonicContact OE1-NE 2.67Å; E161-R293 PolarHBondContact OE1-NE 3.21Å; E161-R293 IonicContact OE1-NH2 3.26Å; E161-R293 PolarHBondContact OE1-NH2 3.26Å; E161-R293 IonicContact OE2-CZ 3.81Å; E161-R293 IonicContact OE2-NE 3.71Å; E161-R293 PolarHBondContact OE2-NE 3.34Å; E161-R293 IonicContact OE2-NH2 3.96Å
162	L	94.8	Very high	92.3	Very high	91 Å²	91	43.6 Å²	43.6	48%	0.476	22%	0.217	S	C	.	.	H	α-helix	trans	-62.3	-41.2	176.5	-70.7	172.6	0	0	0	111.5	P135 L158 I160 K166	P135-L162 HydrophobicContact CB-CD2 4.22Å; P135-L162 HydrophobicContact CG-CD2 4.01Å; L158-L162 HydrophobicContact CD1-CD1 4.47Å; L158-L162 HydrophobicContact CD1-CG 4.48Å; L158-L162 HydrophobicContact CG-CD1 4.19Å; L158-L162 WeakPolarHBondContact O-CB 3.24Å; L158-L162 VanDerWaalsContact O-CG 3.24Å; L158-L162 WeakPolarHBondContact O-CG 3.38Å; L158-L162 PolarHBondContact O-N 2.66Å; I160-L162 PolarHBondContact O-N 2.8Å; L162-K166 WeakPolarHBondContact O-CB 3.21Å; L162-K166 PolarHBondContact O-N 3.22Å
163	M	94.1	Very high	90.9	Very high	42 Å²	42	45.8 Å²	45.8	21%	0.207	24%	0.241	C	C	.	.	H	α-helix	trans	-71.4	-35	177.5	-70.1	-65	-74	0	0	112.3	K159 I160 E161 K166 Y167 V235 E236 V238 I249	K159-M163 WeakPolarHBondContact O-CB 3.19Å; K159-M163 VanDerWaalsContact O-CG 3.29Å; K159-M163 WeakPolarHBondContact O-CG 3.47Å; K159-M163 PolarHBondContact O-N 3.17Å; K159-M163 VanDerWaalsContact O-N 3.08Å; I160-M163 PolarHBondContact O-N 3.05Å; E161-M163 VanDerWaalsContact C-N 3.31Å; E161-M163 PolarHBondContact O-N 2.95Å; M163-K166 PolarHBondContact O-N 3.4Å; M163-K166 HydrophobicContact SD-CD 4.32Å; M163-Y167 WeakPolarHBondContact O-CB 3.21Å; M163-Y167 PolarHBondContact O-N 3.15Å; M163-V235 HydrophobicContact CE-CB 4Å; M163-V235 HydrophobicContact CE-CG1 3.34Å; M163-V235 HydrophobicContact SD-CG1 4.35Å; M163-E236 HydrophobicContact CE-CB 4.45Å; M163-E236 WeakPolarHBondContact CE-O 3.47Å; M163-V238 HydrophobicContact CB-CG2 3.79Å; M163-V238 HydrophobicContact CG-CG2 3.66Å; M163-I249 HydrophobicContact CB-CD1 4.35Å; M163-I249 HydrophobicContact CB-CG1 4.18Å
164	F	93.8	Very high	89.4	Confident	20 Å²	20	43.7 Å²	43.7	9%	0.088	24%	0.235	C	C	.	.	H	α-helix	trans	-63.1	-47.6	172.3	175.2	-107	0	0	0	112.3	W140 I160 E161 K166 Y167 C168 I249 R252	W140-F164 HydrophobicContact CH2-CB 4.11Å; W140-F164 HydrophobicContact CH2-CD2 4.03Å; W140-F164 HydrophobicContact CH2-CG 4Å; W140-F164 HydrophobicContact CZ2-CB 3.59Å; W140-F164 HydrophobicContact CZ2-CD1 4.01Å; W140-F164 HydrophobicContact CZ2-CD2 4.13Å; W140-F164 AromaticContact CZ2-CG 3.62Å; W140-F164 HydrophobicContact CZ2-CG 3.62Å; I160-F164 WeakPolarHBondContact O-CB 3.33Å; I160-F164 PolarHBondContact O-N 3.41Å; E161-F164 PolarHBondContact O-N 3.39Å; F164-K166 VanDerWaalsContact C-N 3.33Å; F164-K166 PolarHBondContact O-N 2.83Å; F164-Y167 VanDerWaalsContact O-CB 3.32Å; F164-Y167 WeakPolarHBondContact O-CB 3.4Å; F164-Y167 PolarHBondContact O-N 3.39Å; F164-Y167 VanDerWaalsContact O-N 3.12Å; F164-C168 VanDerWaalsContact CZ-SG 3.5Å; F164-C168 PolarHBondContact O-N 3.38Å; F164-C168 PolarHBondContact O-SG 2.72Å; F164-C168 VanDerWaalsContact O-SG 3.35Å; F164-I249 HydrophobicContact CB-CG2 3.96Å; F164-I249 HydrophobicContact CD2-CG2 3.87Å; F164-I249 HydrophobicContact CG-CG2 4.44Å; F164-R252 VanDerWaalsContact CZ-NH2 3.3Å
165	R	93.1	Very high	87.5	Confident	71 Å²	71	50.1 Å²	50.1	27%	0.268	27%	0.265	S	S	.	.	H	α-helix	trans	-60.6	-44	175.7	-70.1	-179.8	-172.5	-147.7	1.4	111.6	L133 E161 Y167 C168 E169	L133-R165 PolarHBondContact O-NH1 3.23Å; L133-R165 PolarHBondContact O-NH2 2.9Å; E161-R165 WeakPolarHBondContact O-CG 3.4Å; E161-R165 PolarHBondContact O-N 3.21Å; E161-R165 IonicContact OE1-CZ 3.75Å; E161-R165 IonicContact OE1-NE 3.07Å; E161-R165 PolarHBondContact OE1-NE 3.08Å; E161-R165 IonicContact OE1-NH2 2.92Å; E161-R165 PolarHBondContact OE1-NH2 3.46Å; R165-Y167 VanDerWaalsContact C-N 3.31Å; R165-Y167 PolarHBondContact O-N 3.17Å; R165-C168 PolarHBondContact O-N 3.34Å; R165-E169 WeakPolarHBondContact O-CG 3.3Å; R165-E169 PolarHBondContact O-N 3.29Å
166	K	92.4	Very high	85.3	Confident	104 Å²	104	59.2 Å²	59.2	45%	0.452	30%	0.298	S	S	.	.	H	α-helix	trans	-58.8	-41.9	173.7	-173.7	-176.5	-176.2	-172.4	0	112	L162 M163 F164 E169 L170 V235	L162-K166 WeakPolarHBondContact O-CB 3.21Å; L162-K166 PolarHBondContact O-N 3.22Å; M163-K166 PolarHBondContact O-N 3.4Å; M163-K166 HydrophobicContact SD-CD 4.32Å; F164-K166 VanDerWaalsContact C-N 3.33Å; F164-K166 PolarHBondContact O-N 2.83Å; K166-E169 PolarHBondContact O-N 3.43Å; K166-L170 HydrophobicContact CG-CD1 4.07Å; K166-L170 WeakPolarHBondContact O-CB 3.35Å; K166-L170 VanDerWaalsContact O-CG 3.27Å; K166-L170 WeakPolarHBondContact O-CG 3.44Å; K166-L170 PolarHBondContact O-N 3.16Å; K166-V235 HydrophobicContact CD-CG1 4.13Å
167	Y	91.8	Very high	82.4	Confident	17 Å²	17	64.3 Å²	64.3	7%	0.067	33%	0.334	C	S	.	.	H	α-helix	trans	-59.4	-47.1	174.7	176.8	-111.8	0	0	0	111.6	M163 F164 R165 L170 N171 A174 V235 I249 K250	M163-Y167 WeakPolarHBondContact O-CB 3.21Å; M163-Y167 PolarHBondContact O-N 3.15Å; F164-Y167 VanDerWaalsContact O-CB 3.32Å; F164-Y167 WeakPolarHBondContact O-CB 3.4Å; F164-Y167 PolarHBondContact O-N 3.39Å; F164-Y167 VanDerWaalsContact O-N 3.12Å; R165-Y167 VanDerWaalsContact C-N 3.31Å; R165-Y167 PolarHBondContact O-N 3.17Å; Y167-L170 PolarHBondContact O-N 2.87Å; Y167-N171 VanDerWaalsContact CD2-ND2 3.26Å; Y167-N171 WeakPolarHBondContact CD2-ND2 3.35Å; Y167-N171 HydrophobicContact CE2-CB 4.38Å; Y167-N171 WeakPolarHBondContact CE2-ND2 3.35Å; Y167-N171 WeakPolarHBondContact O-CB 3.44Å; Y167-N171 PolarHBondContact O-N 2.77Å; Y167-N171 PolarHBondContact O-ND2 3.48Å; Y167-A174 HydrophobicContact CE1-CB 3.85Å; Y167-V235 HydrophobicContact CD2-CG2 3.5Å; Y167-V235 VanDerWaalsContact CD2-CG2 3.5Å; Y167-V235 HydrophobicContact CG-CG2 3.94Å; Y167-I249 HydrophobicContact CD1-CG2 4.42Å; Y167-I249 HydrophobicContact CG-CG2 4.33Å; Y167-K250 HydrophobicContact CE2-CB 4.41Å
168	C	89.8	Confident	79.5	Confident	19 Å²	19	67.1 Å²	67.1	13%	0.128	36%	0.364	C	S	.	.	H	α-helix	trans	-63.8	-39.1	178.3	-65.4	0	0	0	0	112.6	F164 R165 N171 M175	F164-C168 VanDerWaalsContact CZ-SG 3.5Å; F164-C168 PolarHBondContact O-N 3.38Å; F164-C168 PolarHBondContact O-SG 2.72Å; F164-C168 VanDerWaalsContact O-SG 3.35Å; R165-C168 PolarHBondContact O-N 3.34Å; C168-N171 CarbonylContact O-C 3.52Å; C168-N171 PolarHBondContact O-N 2.72Å; C168-M175 HydrophobicContact CB-SD 4.21Å
169	E	89.4	Confident	76.6	Confident	152 Å²	152	71.7 Å²	71.7	71%	0.71	39%	0.392	S	S	*	.	H	α-helix	trans	-63.1	-41.3	175.3	-74.1	174.1	-174.2	0	0	112.2	R165 K166 N171	R165-E169 WeakPolarHBondContact O-CG 3.3Å; R165-E169 PolarHBondContact O-N 3.29Å; K166-E169 PolarHBondContact O-N 3.43Å; E169-N171 VanDerWaalsContact C-N 3.32Å
170	L	88.7	Confident	73.6	Confident	68 Å²	68	71 Å²	71	36%	0.356	41%	0.41	S	S	.	.	H	α-helix	trans	-75.1	-23	177.8	-67.1	171.3	0	0	0	112.6	K166 Y167 I233	K166-L170 HydrophobicContact CG-CD1 4.07Å; K166-L170 WeakPolarHBondContact O-CB 3.35Å; K166-L170 VanDerWaalsContact O-CG 3.27Å; K166-L170 WeakPolarHBondContact O-CG 3.44Å; K166-L170 PolarHBondContact O-N 3.16Å; Y167-L170 PolarHBondContact O-N 2.87Å; L170-I233 HydrophobicContact CB-CB 4.23Å; L170-I233 HydrophobicContact CB-CD1 4.46Å; L170-I233 HydrophobicContact CD1-CG2 4.03Å; L170-I233 HydrophobicContact CD2-CD1 4.19Å
171	N	88.3	Confident	70.3	Confident	13 Å²	13	79 Å²	79	7%	0.07	45%	0.453	C	S	.	.			trans	-130.6	75.2	-177.8	-57.2	-79	0	0	0	111.6	Y167 C168 E169 G173 A174 E232 I233	Y167-N171 VanDerWaalsContact CD2-ND2 3.26Å; Y167-N171 WeakPolarHBondContact CD2-ND2 3.35Å; Y167-N171 HydrophobicContact CE2-CB 4.38Å; Y167-N171 WeakPolarHBondContact CE2-ND2 3.35Å; Y167-N171 WeakPolarHBondContact O-CB 3.44Å; Y167-N171 PolarHBondContact O-N 2.77Å; Y167-N171 PolarHBondContact O-ND2 3.48Å; C168-N171 CarbonylContact O-C 3.52Å; C168-N171 PolarHBondContact O-N 2.72Å; E169-N171 VanDerWaalsContact C-N 3.32Å; N171-G173 PolarHBondContact O-N 3.33Å; N171-A174 HydrophobicContact CB-CB 4.05Å; N171-A174 WeakPolarHBondContact O-CB 3.48Å; N171-A174 PolarHBondContact O-N 3.39Å; N171-E232 VanDerWaalsContact OD1-CA 3.23Å; N171-E232 WeakPolarHBondContact OD1-CA 3.35Å; N171-E232 WeakPolarHBondContact OD1-CB 3.43Å; N171-I233 PolarHBondContact ND2-O 2.77Å; N171-I233 PolarHBondContact OD1-N 2.81Å
172	P	77.8	Confident	67.3	Low	105 Å²	105	82.2 Å²	82.2	68%	0.682	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-16.2	-175.8	-23.2	33.5	0	0	0	115
173	G	65.6	Low	64.3	Low	51 Å²	51	86.9 Å²	86.9	53%	0.526	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-19.9	175.5	0	0	0	0	0	114.6	N171 M175 R176	N171-G173 PolarHBondContact O-N 3.33Å; G173-M175 PolarHBondContact O-N 3.43Å; G173-R176 PolarHBondContact O-N 2.92Å; G173-R176 VanDerWaalsContact O-N 3.11Å
174	A	61.5	Low	61.2	Low	32 Å²	32	94 Å²	94	26%	0.264	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-67.5	-32.3	-172.8	0	0	0	0	0	113.1	Y167 N171 R176	Y167-A174 HydrophobicContact CE1-CB 3.85Å; N171-A174 HydrophobicContact CB-CB 4.05Å; N171-A174 WeakPolarHBondContact O-CB 3.48Å; N171-A174 PolarHBondContact O-N 3.39Å; A174-R176 PolarHBondContact O-N 2.94Å
175	M	53.1	Low	58.1	Low	144 Å²	144	102.3 Å²	102.3	71%	0.709	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-71.6	-13.1	175.4	-78.7	177.1	82.4	0	0	113.9	C168 G173	C168-M175 HydrophobicContact CB-SD 4.21Å; G173-M175 PolarHBondContact O-N 3.43Å
176	R	45.3	Very low	55	Low	207 Å²	207	105.8 Å²	105.8	78%	0.781	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-96.4	-12.9	-176.2	-69.7	-174.3	176.2	-172.4	-1.2	114	G173 A174 G178	G173-R176 PolarHBondContact O-N 2.92Å; G173-R176 VanDerWaalsContact O-N 3.11Å; A174-R176 PolarHBondContact O-N 2.94Å; R176-G178 VanDerWaalsContact C-N 3.32Å; R176-G178 PolarHBondContact O-N 3.49Å
177	S	35.4	Very low	51.8	Low	111 Å²	111	105 Å²	105	78%	0.776	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	6.6	-167.8	-141.6	0	0	0	0	115.5
178	G	34.2	Very low	48.7	Very low	60 Å²	60	107.9 Å²	107.9	62%	0.619	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-5.5	172.2	0	0	0	0	0	114.7	R176 G180	R176-G178 VanDerWaalsContact C-N 3.32Å; R176-G178 PolarHBondContact O-N 3.49Å; G178-G180 PolarHBondContact O-N 3.22Å
179	V	34.5	Very low	45.7	Very low	111 Å²	111	116.8 Å²	116.8	67%	0.673	70%	0.699	S	S	*	*	S	Bend	trans	-83.1	106.1	175.3	-174.2	0	0	0	0	107.6	D181	V179-D181 PolarHBondContact O-N 3.13Å
180	G	30.1	Very low	42.6	Very low	73 Å²	73	115.4 Å²	115.4	75%	0.753	71%	0.705	S	S	*	*			trans	-57.8	109	173.3	0	0	0	0	0	110.6	G178 G182	G178-G180 PolarHBondContact O-N 3.22Å; G180-G182 PolarHBondContact O-N 3.47Å
181	D	27.8	Very low	39.8	Very low	168 Å²	168	117.9 Å²	117.9	90%	0.898	72%	0.723	S	S	*	*			trans	-66.9	96.8	168.3	-83.1	-23.8	0	0	0	108.8	V179	V179-D181 PolarHBondContact O-N 3.13Å
182	G	32.7	Very low	36.8	Very low	67 Å²	67	124.8 Å²	124.8	69%	0.691	76%	0.759	S	S	*	*			trans	-114.6	93.7	161.1	0	0	0	0	0	109.2	G180	G180-G182 PolarHBondContact O-N 3.47Å
183	E	30.1	Very low	34.3	Very low	189 Å²	189	125.1 Å²	125.1	88%	0.883	76%	0.764	S	S	*	*			trans	-140.7	96.7	161.6	-68.5	-167.1	159.1	0	0	107.2
184	E	29.8	Very low	33.1	Very low	192 Å²	192	128.9 Å²	128.9	90%	0.897	78%	0.78	S	S	*	*				43.4	102.6	92.3	-83.1	-163.4	164.8	0	0	114.4	T186	E184-T186 PolarHBondContact O-N 3.47Å
185	E	28.4	Very low	31.4	Very low	195 Å²	195	131.4 Å²	131.4	91%	0.911	81%	0.808	S	S	*	*			trans	-52.9	121.9	160.2	-68.2	-175.5	141.3	0	0	111
186	T	28.4	Very low	30.2	Very low	144 Å²	144	132.8 Å²	132.8	88%	0.883	81%	0.813	S	S	*	*			trans	-147.4	127.5	138	41.6	0	0	0	0	111.1	E184	E184-T186 PolarHBondContact O-N 3.47Å
187	G	25.2	Very low	29.4	Very low	87 Å²	87	130.2 Å²	130.2	90%	0.897	82%	0.815	S	S	*	*			trans	-80.8	153.2	-174.1	0	0	0	0	0	115.1
188	G	25.9	Very low	29	Very low	78 Å²	78	128.9 Å²	128.9	80%	0.804	82%	0.818	S	S	*	*			trans	-156.2	109.6	164.2	0	0	0	0	0	110.7
189	K	27.1	Very low	28.7	Very low	205 Å²	205	130.4 Å²	130.4	89%	0.891	83%	0.825	S	S	*	*			trans	-67.2	143.2	174.8	-75.8	176.1	171.2	176.7	0	111.7
190	C	24.6	Very low	28.5	Very low	124 Å²	124	131.9 Å²	131.9	84%	0.838	83%	0.834	S	S	*	*				-178.5	102.2	124.5	-102.2	0	0	0	0	114
191	V	29.2	Very low	29.1	Very low	120 Å²	120	133.3 Å²	133.3	73%	0.727	83%	0.83	S	S	*	*				32.1	124.6	122.8	-170.5	0	0	0	0	121.4
192	D	25.5	Very low	29.1	Very low	157 Å²	157	131.9 Å²	131.9	84%	0.84	83%	0.827	S	S	*	*			trans	81.5	121.9	146.6	-65.5	-15.7	0	0	0	124.1
193	S	26	Very low	29	Very low	113 Å²	113	135.7 Å²	135.7	79%	0.79	83%	0.832	S	S	*	*			trans	-75.7	-166.8	168.4	-28.7	0	0	0	0	113.2
194	P	39.6	Very low	29	Very low	130 Å²	130	133.4 Å²	133.4	84%	0.844	83%	0.831	S	S	*	*			cis	-131.8	166.8	-24.7	29.4	-8.9	0	0	0	113.4
195	G	26	Very low	28.9	Very low	84 Å²	84	127.2 Å²	127.2	87%	0.866	82%	0.819	S	S	*	*			trans	-137.5	113.2	170.5	0	0	0	0	0	112.1
196	Q	28.2	Very low	28.9	Very low	174 Å²	174	124.8 Å²	124.8	81%	0.813	82%	0.817	S	S	*	*			trans	-97.8	155	179.4	-132.3	176.9	19.5	0	0	110.5
197	N	28.5	Very low	28.9	Very low	152 Å²	152	123 Å²	123	81%	0.813	81%	0.81	S	S	*	*			trans	98.3	129.9	153.4	-52.9	-31	0	0	0	119.3
198	G	27.5	Very low	29	Very low	83 Å²	83	123.6 Å²	123.6	86%	0.856	80%	0.801	S	S	*	*			trans	161	95.5	157.8	0	0	0	0	0	113.9
199	A	26.7	Very low	29.2	Very low	92 Å²	92	125.8 Å²	125.8	76%	0.76	80%	0.799	S	S	*	*			trans	-91.5	149.9	-169.7	0	0	0	0	0	115.2
200	V	31	Very low	29.2	Very low	143 Å²	143	122.3 Å²	122.3	87%	0.867	79%	0.79	S	S	*	*				80.6	149.7	128.8	163.6	0	0	0	0	120.3
201	P	43.4	Very low	29.4	Very low	103 Å²	103	125 Å²	125	67%	0.669	79%	0.79	S	S	*	*			trans	-120.8	-171.2	-135.2	45.5	-34.1	0	0	0	114.1
202	V	28.1	Very low	29.2	Very low	137 Å²	137	123 Å²	123	83%	0.83	79%	0.794	S	S	*	*			trans	-136	116.8	163.3	174.2	0	0	0	0	110.6
203	D	29.4	Very low	29.3	Very low	148 Å²	148	128.1 Å²	128.1	79%	0.791	80%	0.801	S	S	*	*			trans	-72.8	150.4	164.1	-83.5	-39	0	0	0	111.5
204	T	30.9	Very low	29.3	Very low	141 Å²	141	126.6 Å²	126.6	87%	0.865	80%	0.803	S	S	*	*			trans	-148.6	110.6	145.8	-28	0	0	0	0	108.7
205	G	26.8	Very low	28.8	Very low	62 Å²	62	125.4 Å²	125.4	64%	0.639	80%	0.798	S	S	*	*			trans	-95.3	165.3	175	0	0	0	0	0	112.9
206	T	29.6	Very low	29	Very low	143 Å²	143	129.3 Å²	129.3	88%	0.877	80%	0.798	S	S	*	*			trans	-159.6	126.8	145.8	36.3	0	0	0	0	111.6
207	S	27.3	Very low	29	Very low	106 Å²	106	127.8 Å²	127.8	74%	0.741	80%	0.796	S	S	*	*			trans	-38.6	164.5	157.2	53.1	0	0	0	0	116.2
208	S	28.1	Very low	29.1	Very low	100 Å²	100	127.5 Å²	127.5	70%	0.699	80%	0.799	S	S	*	*			cis	175.5	167.7	2.5	45.2	0	0	0	0	110.1
209	V	30.3	Very low	29.2	Very low	125 Å²	125	128.3 Å²	128.3	76%	0.758	79%	0.792	S	S	*	*			trans	85.3	120.4	152.4	-127.2	0	0	0	0	123.3
210	D	27.2	Very low	29.5	Very low	132 Å²	132	129.4 Å²	129.4	71%	0.706	79%	0.789	S	S	*	*				99.4	114.7	129.1	-109	19.2	0	0	0	125.8
211	E	28.4	Very low	29.7	Very low	181 Å²	181	128.7 Å²	128.7	85%	0.846	79%	0.785	S	S	*	*			trans	53.3	127.2	137.2	-75.6	-172.2	168.6	0	0	125.1
212	G	24.7	Very low	29.1	Very low	77 Å²	77	129.4 Å²	129.4	79%	0.794	79%	0.793	S	S	*	*			trans	154	85.1	142.5	0	0	0	0	0	119.9
213	R	27.8	Very low	29.3	Very low	265 Å²	265	132.2 Å²	132.2	100%	1	79%	0.794	S	S	*	*			trans	53.5	127.9	143.4	-104.5	177.3	-175.6	-101.2	-1	122.6
214	G	26.2	Very low	29.5	Very low	81 Å²	81	133 Å²	133	84%	0.835	80%	0.798	S	S	*	*			trans	155.7	82.5	150.8	0	0	0	0	0	114.6
215	S	27.9	Very low	29.7	Very low	105 Å²	105	128.9 Å²	128.9	73%	0.734	78%	0.784	S	S	*	*			trans	-83.4	133.9	178.7	143	0	0	0	0	111
216	L	30.3	Very low	30	Very low	166 Å²	166	132.1 Å²	132.1	87%	0.869	79%	0.791	S	S	*	*			trans	-135.5	123.1	158.7	-150.7	84.4	0	0	0	107.4	T218	L216-T218 PolarHBondContact O-N 3.07Å
217	D	28.6	Very low	30.1	Very low	142 Å²	142	131.5 Å²	131.5	76%	0.759	78%	0.783	S	S	*	*			trans	-65.4	126.7	-167.3	-62.8	-45.4	0	0	0	112.8
218	T	31.4	Very low	31.1	Very low	145 Å²	145	132.6 Å²	132.6	89%	0.89	79%	0.787	S	S	*	*			trans	-128.1	102.9	164.3	-5.6	0	0	0	0	106.9	L216	L216-T218 PolarHBondContact O-N 3.07Å
219	S	30	Very low	31.7	Very low	101 Å²	101	135.1 Å²	135.1	71%	0.706	79%	0.793	S	S	*	*			trans	-145.9	101.5	174.6	60.5	0	0	0	0	111.2
220	T	32.4	Very low	32.7	Very low	114 Å²	114	132.8 Å²	132.8	70%	0.699	79%	0.794	S	S	*	*			trans	-162.8	100.1	136	14.3	0	0	0	0	107.9
221	V	33.8	Very low	34	Very low	128 Å²	128	132.2 Å²	132.2	78%	0.776	80%	0.795	S	S	*	*			trans	-130.6	110.4	161.9	-172.3	0	0	0	0	105.9	F223	V221-F223 HydrophobicContact CG1-CD2 4.46Å; V221-F223 PolarHBondContact O-N 3.44Å
222	S	30.9	Very low	35.5	Very low	119 Å²	119	127.9 Å²	127.9	83%	0.832	78%	0.775	S	S	*	*			trans	-78.3	107.2	174.8	-51.4	0	0	0	0	108.2
223	F	32.6	Very low	37.9	Very low	195 Å²	195	128.5 Å²	128.5	86%	0.855	76%	0.76	S	S	*	*			trans	-86.3	110.6	167.5	-111.4	-92.4	0	0	0	107.9	V221	V221-F223 HydrophobicContact CG1-CD2 4.46Å; V221-F223 PolarHBondContact O-N 3.44Å
224	D	33.9	Very low	40.3	Very low	165 Å²	165	121.3 Å²	121.3	88%	0.882	74%	0.741	S	S	*	*			trans	-109.1	128.8	156.6	-157.9	7.8	0	0	0	108.2
225	G	34.6	Very low	43	Very low	54 Å²	54	118.3 Å²	118.3	56%	0.557	71%	0.706	S	S	*	*			trans	-101.2	135.7	-167.2	0	0	0	0	0	112.3
226	T	34.6	Very low	45.8	Very low	130 Å²	130	119.5 Å²	119.5	80%	0.798	70%	0.7	S	S	*	*			trans	135.2	97.9	138.7	-51.2	0	0	0	0	111.7
227	D	31.5	Very low	48.6	Very low	131 Å²	131	114.9 Å²	114.9	70%	0.701	68%	0.68	S	S	*	*				176.8	146	126.7	-93	-24.3	0	0	0	110.6	D229	D227-D229 PolarHBondContact O-N 3.39Å
228	P	46.9	Very low	51.6	Low	129 Å²	129	108.6 Å²	108.6	84%	0.838	65%	0.647	S	S	*	*			trans	-98.6	75	-177.6	37.6	-28.5	0	0	0	110.7
229	D	40.7	Very low	54.5	Low	153 Å²	153	104.2 Å²	104.2	82%	0.818	62%	0.621	S	S	*	*	S	Bend	trans	-150.9	113.8	158.1	-144.9	6.3	0	0	0	109.5	D227 T231	D227-D229 PolarHBondContact O-N 3.39Å; D229-T231 PolarHBondContact O-N 3.36Å; D229-T231 VanDerWaalsContact O-N 3.1Å
230	G	52.3	Low	57.4	Low	76 Å²	76	99.4 Å²	99.4	78%	0.784	59%	0.588	S	S	*	*			trans	46.5	40.9	163	0	0	0	0	0	120.1	E232	G230-E232 PolarHBondContact O-N 2.93Å
231	T	53.8	Low	60	Low	119 Å²	119	97.9 Å²	97.9	73%	0.73	57%	0.569	S	S	*	*			trans	-75.6	97.5	176.4	-35.7	0	0	0	0	110.8	D229 I233	D229-T231 PolarHBondContact O-N 3.36Å; D229-T231 VanDerWaalsContact O-N 3.1Å; T231-I233 PolarHBondContact O-N 2.79Å
232	E	61.1	Low	62.4	Low	90 Å²	90	93.5 Å²	93.5	42%	0.421	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-55.1	129.5	166.9	-74.6	-177.2	169.9	0	0	109.9	N171 G230 N234 K250	N171-E232 VanDerWaalsContact OD1-CA 3.23Å; N171-E232 WeakPolarHBondContact OD1-CA 3.35Å; N171-E232 WeakPolarHBondContact OD1-CB 3.43Å; G230-E232 PolarHBondContact O-N 2.93Å; E232-N234 PolarHBondContact O-N 3.4Å; E232-K250 IonicContact OE2-NZ 3.84Å; E232-K250 PolarHBondContact OE2-NZ 3.42Å
233	I	74.9	Confident	65	Low	91 Å²	91	88.7 Å²	88.7	47%	0.467	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-78.5	116.7	-179.4	-59	171.5	0	0	0	107.6	L170 N171 T231	L170-I233 HydrophobicContact CB-CB 4.23Å; L170-I233 HydrophobicContact CB-CD1 4.46Å; L170-I233 HydrophobicContact CD1-CG2 4.03Å; L170-I233 HydrophobicContact CD2-CD1 4.19Å; N171-I233 PolarHBondContact ND2-O 2.77Å; N171-I233 PolarHBondContact OD1-N 2.81Å; T231-I233 PolarHBondContact O-N 2.79Å
234	N	76.7	Confident	67.7	Low	113 Å²	113	79.7 Å²	79.7	60%	0.604	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-78.9	149.7	179.3	-158.5	11.7	0	0	0	111.5	E232	E232-N234 PolarHBondContact O-N 3.4Å
235	V	83.9	Confident	70.4	Confident	19 Å²	19	72.8 Å²	72.8	12%	0.115	44%	0.442	C	S	.	.			trans	-113.3	150.8	175.4	-130.9	0	0	0	0	109.8	M163 K166 Y167	M163-V235 HydrophobicContact CE-CB 4Å; M163-V235 HydrophobicContact CE-CG1 3.34Å; M163-V235 HydrophobicContact SD-CG1 4.35Å; K166-V235 HydrophobicContact CD-CG1 4.13Å; Y167-V235 HydrophobicContact CD2-CG2 3.5Å; Y167-V235 VanDerWaalsContact CD2-CG2 3.5Å; Y167-V235 HydrophobicContact CG-CG2 3.94Å
236	E	86.6	Confident	73.2	Confident	129 Å²	129	72.1 Å²	72.1	60%	0.603	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-63.7	142	179.3	-67.3	-177.5	168.2	0	0	111.5	M163	M163-E236 HydrophobicContact CE-CB 4.45Å; M163-E236 WeakPolarHBondContact CE-O 3.47Å
237	P	89.7	Confident	76.1	Confident	69 Å²	69	65.9 Å²	65.9	45%	0.448	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-66.1	148	177.3	28.5	-34.8	0	0	0	111.2	E246 V247	P237-E246 HydrophobicContact CB-CB 4.24Å; P237-V247 WeakPolarHBondContact CA-O 3.22Å
238	V	91.7	Very high	79	Confident	11 Å²	11	61.8 Å²	61.8	7%	0.067	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119	-174.7	-176.4	0	0	0	0	110.5	K159 I160 M163 V240 E246 V247 I249	K159-V238 HydrophobicContact CB-CG1 3.77Å; I160-V238 HydrophobicContact CG1-CB 4.36Å; I160-V238 HydrophobicContact CG1-CG1 4.08Å; M163-V238 HydrophobicContact CB-CG2 3.79Å; M163-V238 HydrophobicContact CG-CG2 3.66Å; V238-V240 HydrophobicContact CG1-CG1 4.21Å; V238-V240 PolarHBondContact O-N 3.3Å; V238-E246 CarbonylContact O-C 3.52Å; V238-E246 VanDerWaalsContact O-CA 3.31Å; V238-E246 WeakPolarHBondContact O-CA 3.39Å; V238-V247 PolarHBondContact N-O 3.04Å; V238-V247 PolarHBondContact O-N 3.42Å; V238-I249 HydrophobicContact CG2-CD1 4.08Å; V238-I249 HydrophobicContact CG2-CG1 4.26Å
239	C	91	Very high	81.1	Confident	52 Å²	52	55.9 Å²	55.9	35%	0.351	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	129.3	171.6	-76.2	0	0	0	0	111.4	Y245 E246	C239-Y245 CarbonylContact C-O 3.17Å; C239-Y245 WeakPolarHBondContact CA-O 3.48Å; C239-E246 PolarHBondContact SG-OE1 3.23Å
240	V	90.8	Very high	83.3	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.006	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	169.3	-177	-60	0	0	0	0	111.6	F152 D156 I160 V238 G242 G243 L244 Y245 V247	F152-V240 HydrophobicContact CD1-CB 4.16Å; F152-V240 HydrophobicContact CD1-CG2 4.35Å; F152-V240 HydrophobicContact CE1-CB 3.91Å; F152-V240 HydrophobicContact CE1-CG1 4.37Å; F152-V240 HydrophobicContact CE1-CG2 3.6Å; F152-V240 HydrophobicContact CZ-CG2 4.22Å; D156-V240 HydrophobicContact CB-CB 4.29Å; D156-V240 HydrophobicContact CB-CG1 4.08Å; D156-V240 WeakPolarHBondContact OD2-CA 3.29Å; I160-V240 HydrophobicContact CD1-CG1 3.87Å; I160-V240 HydrophobicContact CG1-CG1 4.02Å; V238-V240 HydrophobicContact CG1-CG1 4.21Å; V238-V240 PolarHBondContact O-N 3.3Å; V240-G242 VanDerWaalsContact C-N 3.35Å; V240-G242 PolarHBondContact O-N 3.05Å; V240-G243 PolarHBondContact O-N 3Å; V240-L244 PolarHBondContact O-N 3.24Å; V240-Y245 PolarHBondContact N-O 2.76Å; V240-Y245 PolarHBondContact O-N 2.78Å; V240-V247 HydrophobicContact CB-CG2 4.41Å; V240-V247 HydrophobicContact CG1-CG2 3.77Å; V240-V247 HydrophobicContact CG2-CG2 3.73Å
241	R	88.5	Confident	85.1	Confident	81 Å²	81	53.5 Å²	53.5	31%	0.306	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	49.1	177.3	-58.3	-175.8	69.7	-165.2	4.1	112.2	F152 D156 G243 Y245	F152-R241 HydrophobicContact CD1-CG 4.12Å; F152-R241 HydrophobicContact CE1-CG 3.95Å; D156-R241 PolarHBondContact OD2-N 2.81Å; R241-G243 VanDerWaalsContact C-N 3.32Å; R241-Y245 HydrophobicContact CB-CD2 3.99Å; R241-Y245 HydrophobicContact CG-CD2 4.41Å; R241-Y245 VanDerWaalsContact NH1-CE2 3.34Å
242	G	82.9	Confident	86.8	Confident	36 Å²	36	50.6 Å²	50.6	37%	0.371	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	21.6	-178.2	0	0	0	0	0	114	V240 L244	V240-G242 VanDerWaalsContact C-N 3.35Å; V240-G242 PolarHBondContact O-N 3.05Å; G242-L244 VanDerWaalsContact C-N 3.34Å
243	G	86.1	Confident	88.3	Confident	19 Å²	19	48.9 Å²	48.9	20%	0.196	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	9.3	179.5	0	0	0	0	0	114.5	V240 R241	V240-G243 PolarHBondContact O-N 3Å; R241-G243 VanDerWaalsContact C-N 3.32Å
244	L	88.9	Confident	89.1	Confident	6 Å²	6	44.6 Å²	44.6	3%	0.031	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-21	178.6	-62.7	178.7	0	0	0	113.3	V240 G242 V257 Y258 W259 E458 L460	V240-L244 PolarHBondContact O-N 3.24Å; G242-L244 VanDerWaalsContact C-N 3.34Å; L244-V257 PolarHBondContact O-N 2.93Å; L244-Y258 HydrophobicContact CD2-CD2 3.84Å; L244-Y258 HydrophobicContact CD2-CE2 3.88Å; L244-W259 HydrophobicContact CB-CH2 4.22Å; L244-W259 HydrophobicContact CD1-CH2 4.5Å; L244-W259 HydrophobicContact CD2-CH2 4.35Å; L244-W259 HydrophobicContact CD2-CZ3 4.41Å; L244-E458 WeakPolarHBondContact CD1-OE1 3.28Å; L244-E458 HydrophobicContact CD2-CG 4.25Å; L244-L460 HydrophobicContact CD2-CD2 3.56Å
245	Y	91.8	Very high	89.7	Confident	20 Å²	20	43 Å²	43	8%	0.078	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	158.4	-179	-63.5	-97.5	0	0	0	110.9	C239 V240 R241 C254 Y255 P256 W259 I289	C239-Y245 CarbonylContact C-O 3.17Å; C239-Y245 WeakPolarHBondContact CA-O 3.48Å; V240-Y245 PolarHBondContact N-O 2.76Å; V240-Y245 PolarHBondContact O-N 2.78Å; R241-Y245 HydrophobicContact CB-CD2 3.99Å; R241-Y245 HydrophobicContact CG-CD2 4.41Å; R241-Y245 VanDerWaalsContact NH1-CE2 3.34Å; Y245-C254 VanDerWaalsContact CB-SG 3.52Å; Y245-Y255 CarbonylContact C-O 3.5Å; Y245-Y255 WeakPolarHBondContact CA-O 3.38Å; Y245-Y255 WeakPolarHBondContact CB-O 3.36Å; Y245-P256 HydrophobicContact CD1-CB 4.16Å; Y245-P256 HydrophobicContact CE1-CB 4.05Å; Y245-W259 HydrophobicContact CE1-CZ2 4.42Å; Y245-W259 HydrophobicContact CE2-CZ2 4.19Å; Y245-W259 AromaticContact CZ-CZ2 3.84Å; Y245-I289 HydrophobicContact CD1-CD1 4.17Å; Y245-I289 HydrophobicContact CE1-CD1 3.66Å
246	E	93	Very high	90	Very high	39 Å²	39	43.2 Å²	43.2	18%	0.182	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.6	176.5	-83.7	174.3	177.4	0	0	110.3	P237 V238 C239 C254 Y255 V257 R527	P237-E246 HydrophobicContact CB-CB 4.24Å; V238-E246 CarbonylContact O-C 3.52Å; V238-E246 VanDerWaalsContact O-CA 3.31Å; V238-E246 WeakPolarHBondContact O-CA 3.39Å; C239-E246 PolarHBondContact SG-OE1 3.23Å; E246-C254 CarbonylContact O-C 3.56Å; E246-C254 VanDerWaalsContact O-CA 3.3Å; E246-C254 WeakPolarHBondContact O-CA 3.35Å; E246-Y255 PolarHBondContact N-O 3.42Å; E246-Y255 PolarHBondContact O-N 3.18Å; E246-V257 HydrophobicContact CB-CG2 4.27Å; E246-V257 HydrophobicContact CG-CG2 3.65Å; E246-R527 IonicContact OE1-CZ 3.87Å; E246-R527 IonicContact OE1-NE 3.91Å; E246-R527 PolarHBondContact OE1-NE 3.28Å; E246-R527 IonicContact OE1-NH2 3.47Å; E246-R527 PolarHBondContact OE1-NH2 3.47Å; E246-R527 IonicContact OE2-NH2 3.99Å
247	V	94.4	Very high	90.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	119	176.8	-178.4	0	0	0	0	109.2	F152 I160 P237 V238 V240 I249 K253 C254 V291	F152-V247 HydrophobicContact CZ-CG2 3.99Å; I160-V247 HydrophobicContact CD1-CG2 4.13Å; I160-V247 HydrophobicContact CG1-CG2 4.39Å; I160-V247 HydrophobicContact CG2-CG1 4.35Å; P237-V247 WeakPolarHBondContact CA-O 3.22Å; V238-V247 PolarHBondContact N-O 3.04Å; V238-V247 PolarHBondContact O-N 3.42Å; V240-V247 HydrophobicContact CB-CG2 4.41Å; V240-V247 HydrophobicContact CG1-CG2 3.77Å; V240-V247 HydrophobicContact CG2-CG2 3.73Å; V247-I249 HydrophobicContact CG1-CD1 4.13Å; V247-K253 WeakPolarHBondContact CA-O 3.42Å; V247-C254 HydrophobicContact CG2-CB 4.18Å; V247-V291 HydrophobicContact CG1-CG1 4.41Å; V247-V291 HydrophobicContact CG1-CG2 3.74Å; V247-V291 HydrophobicContact CG2-CG1 4.38Å
248	D	92.8	Very high	90.1	Very high	44 Å²	44	35.1 Å²	35.1	24%	0.235	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	111.4	162.8	-169.9	-38.6	0	0	0	108.6	K250 E251 R252 K253 Y255	D248-K250 VanDerWaalsContact C-N 3.31Å; D248-K250 WeakPolarHBondContact OD1-CA 3.36Å; D248-K250 WeakPolarHBondContact OD1-CB 3.45Å; D248-K250 PolarHBondContact OD1-N 2.9Å; D248-E251 HydrophobicContact CB-CB 4.24Å; D248-E251 PolarHBondContact OD1-N 2.92Å; D248-R252 WeakPolarHBondContact O-CA 3.43Å; D248-R252 PolarHBondContact O-N 3.43Å; D248-K253 PolarHBondContact N-O 2.8Å; D248-K253 PolarHBondContact O-N 3.13Å; D248-Y255 HydrophobicContact CB-CD2 4.4Å; D248-Y255 HydrophobicContact CB-CE2 3.87Å
249	I	90.9	Very high	89.8	Confident	5 Å²	5	35 Å²	35	3%	0.026	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-34.5	-177.8	-59.8	-60.4	0	0	0	111.6	I160 M163 F164 Y167 V238 V247 R252	I160-I249 HydrophobicContact CB-CD1 4.36Å; I160-I249 HydrophobicContact CG2-CD1 3.49Å; I160-I249 VanDerWaalsContact CG2-CD1 3.49Å; M163-I249 HydrophobicContact CB-CD1 4.35Å; M163-I249 HydrophobicContact CB-CG1 4.18Å; F164-I249 HydrophobicContact CB-CG2 3.96Å; F164-I249 HydrophobicContact CD2-CG2 3.87Å; F164-I249 HydrophobicContact CG-CG2 4.44Å; Y167-I249 HydrophobicContact CD1-CG2 4.42Å; Y167-I249 HydrophobicContact CG-CG2 4.33Å; V238-I249 HydrophobicContact CG2-CD1 4.08Å; V238-I249 HydrophobicContact CG2-CG1 4.26Å; V247-I249 HydrophobicContact CG1-CD1 4.13Å; I249-R252 WeakPolarHBondContact O-CD 3.47Å; I249-R252 PolarHBondContact O-NE 3.29Å
250	K	88	Confident	88.9	Confident	89 Å²	89	39.3 Å²	39.3	39%	0.387	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-49.9	-178.3	173	173.8	171.7	155.1	0	110	Y167 E232 D248 R252	Y167-K250 HydrophobicContact CE2-CB 4.41Å; E232-K250 IonicContact OE2-NZ 3.84Å; E232-K250 PolarHBondContact OE2-NZ 3.42Å; D248-K250 VanDerWaalsContact C-N 3.31Å; D248-K250 WeakPolarHBondContact OD1-CA 3.36Å; D248-K250 WeakPolarHBondContact OD1-CB 3.45Å; D248-K250 PolarHBondContact OD1-N 2.9Å; K250-R252 VanDerWaalsContact C-N 3.3Å; K250-R252 PolarHBondContact O-N 2.95Å
251	E	88.8	Confident	87.3	Confident	91 Å²	91	43 Å²	43	43%	0.425	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-8.6	-174.8	-65.9	-63.9	138.3	0	0	113.6	D248 K253	D248-E251 HydrophobicContact CB-CB 4.24Å; D248-E251 PolarHBondContact OD1-N 2.92Å; E251-K253 HydrophobicContact CB-CB 4.19Å; E251-K253 HydrophobicContact CB-CD 4.03Å; E251-K253 HydrophobicContact CB-CG 4.25Å; E251-K253 WeakPolarHBondContact O-CG 3.48Å; E251-K253 PolarHBondContact O-N 2.66Å
252	R	90.9	Very high	85.1	Confident	58 Å²	58	41.2 Å²	41.2	22%	0.219	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	42.1	-172.6	-56.3	-57.9	-173.3	107.6	18	112.1	F164 D248 I249 K250 V291 E307	F164-R252 VanDerWaalsContact CZ-NH2 3.3Å; D248-R252 WeakPolarHBondContact O-CA 3.43Å; D248-R252 PolarHBondContact O-N 3.43Å; I249-R252 WeakPolarHBondContact O-CD 3.47Å; I249-R252 PolarHBondContact O-NE 3.29Å; K250-R252 VanDerWaalsContact C-N 3.3Å; K250-R252 PolarHBondContact O-N 2.95Å; R252-V291 HydrophobicContact CB-CG2 4.26Å; R252-V291 WeakPolarHBondContact O-CG2 3.44Å; R252-V291 PolarHBondContact O-N 2.76Å; R252-E307 IonicContact CZ-OE1 3.11Å; R252-E307 IonicContact CZ-OE2 2.84Å; R252-E307 IonicContact NH1-OE1 2.64Å; R252-E307 PolarHBondContact NH1-OE1 3.49Å; R252-E307 IonicContact NH1-OE2 3.29Å; R252-E307 PolarHBondContact NH1-OE2 2.98Å; R252-E307 IonicContact NH2-OE1 3.11Å; R252-E307 PolarHBondContact NH2-OE1 3.34Å; R252-E307 IonicContact NH2-OE2 3.16Å
253	K	92.1	Very high	82.9	Confident	54 Å²	54	43 Å²	43	24%	0.235	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.2	-175.2	-74.5	172.9	-169.7	177.7	0	111.4	V247 D248 E251 Y255 H288	V247-K253 WeakPolarHBondContact CA-O 3.42Å; D248-K253 PolarHBondContact N-O 2.8Å; D248-K253 PolarHBondContact O-N 3.13Å; E251-K253 HydrophobicContact CB-CB 4.19Å; E251-K253 HydrophobicContact CB-CD 4.03Å; E251-K253 HydrophobicContact CB-CG 4.25Å; E251-K253 WeakPolarHBondContact O-CG 3.48Å; E251-K253 PolarHBondContact O-N 2.66Å; K253-Y255 HydrophobicContact CB-CD2 4.43Å; K253-Y255 HydrophobicContact CB-CE2 3.52Å; K253-Y255 WeakPolarHBondContact CB-OH 3.32Å; K253-Y255 VanDerWaalsContact CD-OH 3.27Å; K253-Y255 WeakPolarHBondContact CD-OH 3.46Å; K253-H288 HydrophobicContact CB-CB 4.02Å; K253-H288 HydrophobicContact CD-CB 3.98Å; K253-H288 WeakPolarHBondContact CD-CD2 3.47Å; K253-H288 WeakPolarHBondContact CE-CD2 3.06Å; K253-H288 WeakPolarHBondContact CE-NE2 3.11Å; K253-H288 HydrophobicContact CG-CB 4.01Å; K253-H288 VanDerWaalsContact CG-CD2 3.44Å; K253-H288 WeakPolarHBondContact CG-CD2 3.44Å
254	C	91.3	Very high	80.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	127.2	178.6	172.5	0	0	0	0	109.3	Y245 E246 V247 I289 V291	Y245-C254 VanDerWaalsContact CB-SG 3.52Å; E246-C254 CarbonylContact O-C 3.56Å; E246-C254 VanDerWaalsContact O-CA 3.3Å; E246-C254 WeakPolarHBondContact O-CA 3.35Å; V247-C254 HydrophobicContact CG2-CB 4.18Å; C254-I289 HydrophobicContact CB-CB 4.01Å; C254-I289 HydrophobicContact CB-CG2 4.41Å; C254-I289 WeakPolarHBondContact CB-O 3.26Å; C254-I289 PolarHBondContact N-O 3.36Å; C254-I289 PolarHBondContact O-N 3.19Å; C254-V291 HydrophobicContact CB-CG1 3.57Å
255	Y	90.3	Very high	77.9	Confident	80 Å²	80	55.4 Å²	55.4	31%	0.314	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.4	-173.6	-60.5	-86.6	0	0	0	111.1	Y245 E246 D248 K253 H288	Y245-Y255 CarbonylContact C-O 3.5Å; Y245-Y255 WeakPolarHBondContact CA-O 3.38Å; Y245-Y255 WeakPolarHBondContact CB-O 3.36Å; E246-Y255 PolarHBondContact N-O 3.42Å; E246-Y255 PolarHBondContact O-N 3.18Å; D248-Y255 HydrophobicContact CB-CD2 4.4Å; D248-Y255 HydrophobicContact CB-CE2 3.87Å; K253-Y255 HydrophobicContact CB-CD2 4.43Å; K253-Y255 HydrophobicContact CB-CE2 3.52Å; K253-Y255 WeakPolarHBondContact CB-OH 3.32Å; K253-Y255 VanDerWaalsContact CD-OH 3.27Å; K253-Y255 WeakPolarHBondContact CD-OH 3.46Å; Y255-H288 HydrophobicContact CD1-CB 4.19Å; Y255-H288 HydrophobicContact CE1-CB 3.68Å
256	P	90.2	Very high	75.2	Confident	24 Å²	24	59.1 Å²	59.1	16%	0.156	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	142	171.5	28.5	-34.7	0	0	0	112.1	Y245 W259	Y245-P256 HydrophobicContact CD1-CB 4.16Å; Y245-P256 HydrophobicContact CE1-CB 4.05Å; P256-W259 VanDerWaalsContact CB-CD1 3.46Å; P256-W259 HydrophobicContact CB-CD2 4.1Å; P256-W259 HydrophobicContact CB-CG 4.03Å; P256-W259 HydrophobicContact CB-CZ2 4.24Å; P256-W259 VanDerWaalsContact CB-O 3.28Å; P256-W259 WeakPolarHBondContact CB-O 3.37Å; P256-W259 WeakPolarHBondContact CG-O 3.46Å
257	V	89.9	Confident	72.3	Confident	21 Å²	21	62.1 Å²	62.1	13%	0.127	35%	0.353	C	S	.	.	S	Bend	trans	-85.8	-43.1	-179.3	173.9	0	0	0	0	111.7	L244 E246 L523	L244-V257 PolarHBondContact O-N 2.93Å; E246-V257 HydrophobicContact CB-CG2 4.27Å; E246-V257 HydrophobicContact CG-CG2 3.65Å; V257-L523 HydrophobicContact CG1-CD2 4.29Å
258	Y	88.1	Confident	69.3	Low	6 Å²	6	66.3 Å²	66.3	2%	0.024	39%	0.388	C	S	.	.	S	Bend	trans	-94.4	-20.8	-168.5	-65.9	-76.1	0	0	0	113.8	L244 L460 R519 L520 L523 F524	L244-Y258 HydrophobicContact CD2-CD2 3.84Å; L244-Y258 HydrophobicContact CD2-CE2 3.88Å; Y258-L460 HydrophobicContact CD1-CD1 4.16Å; Y258-L460 HydrophobicContact CD2-CD2 3.76Å; Y258-L460 HydrophobicContact CE1-CD1 4.14Å; Y258-L460 HydrophobicContact CE2-CD2 4.02Å; Y258-L460 HydrophobicContact CG-CD1 4.46Å; Y258-L460 HydrophobicContact CG-CD2 4.04Å; Y258-R519 PolarHBondContact O-NH2 2.93Å; Y258-L520 HydrophobicContact CD1-CD2 3.97Å; Y258-L520 HydrophobicContact CG-CD2 4.39Å; Y258-L520 WeakPolarHBondContact O-CD2 3.5Å; Y258-L523 HydrophobicContact CD1-CD2 3.88Å; Y258-L523 HydrophobicContact CD1-CG 4.3Å; Y258-L523 HydrophobicContact CE1-CB 4.39Å; Y258-L523 HydrophobicContact CE1-CD2 4.15Å; Y258-L523 HydrophobicContact CE1-CG 4.07Å; Y258-F524 HydrophobicContact CE1-CB 4.08Å
259	W	85.6	Confident	66.5	Low	9 Å²	9	71.9 Å²	71.9	3%	0.034	42%	0.416	C	S	.	.			trans	-133.2	153.3	-179.5	53.2	87.1	0	0	0	109.9	L244 Y245 P256 H261 I431 P461	L244-W259 HydrophobicContact CB-CH2 4.22Å; L244-W259 HydrophobicContact CD1-CH2 4.5Å; L244-W259 HydrophobicContact CD2-CH2 4.35Å; L244-W259 HydrophobicContact CD2-CZ3 4.41Å; Y245-W259 HydrophobicContact CE1-CZ2 4.42Å; Y245-W259 HydrophobicContact CE2-CZ2 4.19Å; Y245-W259 AromaticContact CZ-CZ2 3.84Å; P256-W259 VanDerWaalsContact CB-CD1 3.46Å; P256-W259 HydrophobicContact CB-CD2 4.1Å; P256-W259 HydrophobicContact CB-CG 4.03Å; P256-W259 HydrophobicContact CB-CZ2 4.24Å; P256-W259 VanDerWaalsContact CB-O 3.28Å; P256-W259 WeakPolarHBondContact CB-O 3.37Å; P256-W259 WeakPolarHBondContact CG-O 3.46Å; W259-H261 AromaticContact CD1-NE2 3.87Å; W259-H261 AromaticContact NE1-NE2 3.72Å; W259-I431 HydrophobicContact CB-CD1 3.84Å; W259-I431 HydrophobicContact CB-CG1 4.17Å; W259-I431 HydrophobicContact CD2-CG1 4.4Å; W259-I431 HydrophobicContact CD2-CG2 4.22Å; W259-I431 HydrophobicContact CG-CD1 3.64Å; W259-I431 HydrophobicContact CG-CG1 3.9Å; W259-I431 HydrophobicContact CG-CG2 4.34Å; W259-I431 HydrophobicContact CZ2-CG2 4.24Å; W259-P461 HydrophobicContact CD2-CG 3.89Å; W259-P461 HydrophobicContact CE3-CG 3.28Å; W259-P461 VanDerWaalsContact CZ3-CD 3.49Å; W259-P461 HydrophobicContact CZ3-CG 3.67Å
260	K	72.2	Confident	63.5	Low	142 Å²	142	78.2 Å²	78.2	62%	0.617	46%	0.455	S	S	*	.			trans	-104.9	137.8	168.9	-69.3	-171.5	169.6	-165.9	0	107.6	E264	K260-E264 IonicContact NZ-OE2 3.93Å; K260-E264 PolarHBondContact NZ-OE2 3.19Å
261	H	55.8	Low	60.8	Low	78 Å²	78	79.4 Å²	79.4	36%	0.361	47%	0.472	S	S	.	.			trans	-78.4	136.5	159.5	-73.9	-75.7	0	0	0	106.6	W259 S263	W259-H261 AromaticContact CD1-NE2 3.87Å; W259-H261 AromaticContact NE1-NE2 3.72Å; H261-S263 PolarHBondContact O-N 3.33Å
262	G	43.8	Very low	58.1	Low	44 Å²	44	83.4 Å²	83.4	45%	0.454	49%	0.49	S	S	.	.	S	Bend	trans	-64.1	125.4	-174.7	0	0	0	0	0	109.9
263	S	35.6	Very low	55.1	Low	75 Å²	75	87.3 Å²	87.3	52%	0.524	52%	0.52	S	S	.	.				-153.1	98.5	80	55.4	0	0	0	0	113.7	H261 D287	H261-S263 PolarHBondContact O-N 3.33Å; S263-D287 PolarHBondContact N-OD2 2.7Å
264	E	36.1	Very low	52.2	Low	159 Å²	159	89.6 Å²	89.6	74%	0.743	54%	0.543	S	S	*	.			trans	-139	70.5	153.7	-78	-173.9	145.3	0	0	108.3	K260	K260-E264 IonicContact NZ-OE2 3.93Å; K260-E264 PolarHBondContact NZ-OE2 3.19Å
265	S	34.2	Very low	49.8	Very low	125 Å²	125	97.7 Å²	97.7	87%	0.874	59%	0.585	S	S	*	*	S	Bend	trans	-94.4	120.4	157.3	-168.4	0	0	0	0	107.6
266	A	34.3	Very low	47.1	Very low	98 Å²	98	100 Å²	100	81%	0.81	61%	0.607	S	S	*	*	S	Bend	trans	77.4	54.2	164.8	0	0	0	0	0	119.7
267	A	32.5	Very low	44.4	Very low	103 Å²	103	104.1 Å²	104.1	85%	0.851	63%	0.634	S	S	*	*			trans	-121.9	56.7	159.1	0	0	0	0	0	112.4
268	A	31.9	Very low	41.6	Very low	88 Å²	88	108.8 Å²	108.8	73%	0.727	67%	0.665	S	S	*	*	S	Bend	trans	-146	125.2	157.4	0	0	0	0	0	109.9
269	I	34.3	Very low	38.9	Very low	161 Å²	161	113.7 Å²	113.7	83%	0.826	70%	0.698	S	S	*	*	S	Bend	trans	88.2	82.6	170	-43.9	166.2	0	0	0	115.2
270	T	27.6	Very low	36.2	Very low	138 Å²	138	118.6 Å²	118.6	85%	0.847	73%	0.732	S	S	*	*				-168.4	133	129.4	17.3	0	0	0	0	110.4
271	P	32.3	Very low	34.2	Very low	113 Å²	113	117.5 Å²	117.5	73%	0.734	74%	0.739	S	S	*	*			trans	-84.5	128.7	174.9	31.4	-28.2	0	0	0	111.3
272	H	30.1	Very low	33.1	Very low	176 Å²	176	118.6 Å²	118.6	82%	0.815	76%	0.755	S	S	*	*			trans	44.4	113.7	156.5	-62.2	-66.9	0	0	0	119.9
273	T	29.1	Very low	32.8	Very low	139 Å²	139	125 Å²	125	85%	0.853	77%	0.774	S	S	*	*				-170.7	128	115.3	16.9	0	0	0	0	113.7
274	S	31.3	Very low	32.9	Very low	102 Å²	102	128.3 Å²	128.3	71%	0.713	78%	0.781	S	S	*	*			trans	59.3	110.9	152.2	62	0	0	0	0	123.3
275	I	41.3	Very low	33	Very low	170 Å²	170	128.5 Å²	128.5	87%	0.872	78%	0.782	S	S	*	*			trans	51.3	92.6	132.7	-44.6	174.2	0	0	0	117.2
276	T	32.8	Very low	33.7	Very low	128 Å²	128	129.5 Å²	129.5	79%	0.785	77%	0.773	S	S	*	*			trans	-119.9	145.3	153.8	35	0	0	0	0	109.5
277	P	33.9	Very low	35.1	Very low	111 Å²	111	127.2 Å²	127.2	72%	0.721	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-67.7	154	178.3	30.2	-33	0	0	0	110.4
278	P	30.8	Very low	37.3	Very low	119 Å²	119	124.8 Å²	124.8	77%	0.773	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-61.4	138.1	-179.5	25.9	-33	0	0	0	110.3
279	P	32.4	Very low	40	Very low	110 Å²	110	122.4 Å²	122.4	71%	0.714	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-65.5	150.3	172.3	27.7	-30	0	0	0	110
280	C	27.4	Very low	42.8	Very low	112 Å²	112	117.1 Å²	117.1	76%	0.757	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-66.7	141	176.1	-68.5	0	0	0	0	110.3	S282	C280-S282 VanDerWaalsContact C-N 3.26Å; C280-S282 PolarHBondContact O-N 2.94Å
281	P	31.2	Very low	45.9	Very low	118 Å²	118	111 Å²	111	77%	0.766	63%	0.631	S	S	*	*	S	Bend	trans	-81.7	32	-165.6	33.2	-36.6	0	0	0	115.3
282	S	33	Very low	48.9	Very low	101 Å²	101	106 Å²	106	71%	0.706	60%	0.598	S	S	*	*	S	Bend	trans	-102.8	4.5	-168.1	59.8	0	0	0	0	117.2	C280	C280-S282 VanDerWaalsContact C-N 3.26Å; C280-S282 PolarHBondContact O-N 2.94Å
283	E	37.7	Very low	52	Low	180 Å²	180	98.5 Å²	98.5	84%	0.841	56%	0.562	S	S	*	*	S	Bend	trans	-127.9	0	-178.5	-67	-168.3	168.2	0	0	115.7
284	E	36.7	Very low	55.1	Low	143 Å²	143	91.9 Å²	91.9	67%	0.668	52%	0.522	S	S	*	.			trans	-90	-2.4	-178	-71.4	178.8	174.2	0	0	114.8	Q286	E284-Q286 VanDerWaalsContact C-N 3.29Å; E284-Q286 PolarHBondContact O-N 3.2Å
285	E	38.6	Very low	58.2	Low	163 Å²	163	87.6 Å²	87.6	76%	0.762	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	8.1	-171.7	-82.1	-172.4	163.1	0	0	115.7
286	Q	49.1	Very low	60.7	Low	146 Å²	146	79.6 Å²	79.6	68%	0.682	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-1.9	-170	-127.4	118	92.6	0	0	116.4	E284 H288	E284-Q286 VanDerWaalsContact C-N 3.29Å; E284-Q286 PolarHBondContact O-N 3.2Å; Q286-H288 PolarHBondContact O-N 2.94Å
287	D	62.3	Low	63.6	Low	51 Å²	51	73.5 Å²	73.5	27%	0.273	41%	0.412	S	S	.	.	S	Bend	trans	-87.4	-3.2	-172.6	-79	-12.5	0	0	0	115	S263	S263-D287 PolarHBondContact N-OD2 2.7Å
288	H	79.1	Confident	66.4	Low	51 Å²	51	70.5 Å²	70.5	24%	0.236	39%	0.389	C	S	.	.	S	Bend	trans	-141.5	146	-177.7	53.2	-87.9	0	0	0	112.2	K253 Y255 Q286 P290	K253-H288 HydrophobicContact CB-CB 4.02Å; K253-H288 HydrophobicContact CD-CB 3.98Å; K253-H288 WeakPolarHBondContact CD-CD2 3.47Å; K253-H288 WeakPolarHBondContact CE-CD2 3.06Å; K253-H288 WeakPolarHBondContact CE-NE2 3.11Å; K253-H288 HydrophobicContact CG-CB 4.01Å; K253-H288 VanDerWaalsContact CG-CD2 3.44Å; K253-H288 WeakPolarHBondContact CG-CD2 3.44Å; Y255-H288 HydrophobicContact CD1-CB 4.19Å; Y255-H288 HydrophobicContact CE1-CB 3.68Å; Q286-H288 PolarHBondContact O-N 2.94Å; H288-P290 WeakPolarHBondContact O-CD 3.38Å
289	I	88.8	Confident	69	Low	39 Å²	39	68.4 Å²	68.4	20%	0.2	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	115.2	174.5	-64	168.7	0	0	0	107.9	Y142 K143 Y245 C254 V291	Y142-I289 HydrophobicContact CD2-CG2 4.25Å; K143-I289 VanDerWaalsContact O-CG2 3.25Å; K143-I289 WeakPolarHBondContact O-CG2 3.36Å; Y245-I289 HydrophobicContact CD1-CD1 4.17Å; Y245-I289 HydrophobicContact CE1-CD1 3.66Å; C254-I289 HydrophobicContact CB-CB 4.01Å; C254-I289 HydrophobicContact CB-CG2 4.41Å; C254-I289 WeakPolarHBondContact CB-O 3.26Å; C254-I289 PolarHBondContact N-O 3.36Å; C254-I289 PolarHBondContact O-N 3.19Å; I289-V291 PolarHBondContact O-N 2.72Å
290	P	92.6	Very high	71.5	Confident	50 Å²	50	66.3 Å²	66.3	33%	0.325	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	138.4	173.9	-25.6	34.5	0	0	0	111.4	Y142 K143 W149 H288	Y142-P290 WeakPolarHBondContact CA-O 3.2Å; K143-P290 HydrophobicContact CB-CB 4.26Å; K143-P290 HydrophobicContact CB-CG 4.44Å; K143-P290 HydrophobicContact CD-CB 4.46Å; K143-P290 HydrophobicContact CD-CG 4.28Å; K143-P290 PolarHBondContact N-O 3.31Å; W149-P290 HydrophobicContact CH2-CB 3.98Å; W149-P290 WeakPolarHBondContact CZ3-O 3.28Å; H288-P290 WeakPolarHBondContact O-CD 3.38Å
291	V	94.7	Very high	74.4	Confident	8 Å²	8	63.9 Å²	63.9	5%	0.048	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	151	170.2	-61	0	0	0	0	110.7	W140 F141 F152 V247 R252 C254 I289	W140-V291 HydrophobicContact CE3-CG2 4.37Å; W140-V291 HydrophobicContact CZ3-CG2 4.17Å; F141-V291 CarbonylContact O-C 3.59Å; F141-V291 WeakPolarHBondContact O-CA 3.21Å; F141-V291 WeakPolarHBondContact O-CB 3.37Å; F152-V291 HydrophobicContact CE2-CB 4.28Å; F152-V291 HydrophobicContact CE2-CG1 3.68Å; F152-V291 HydrophobicContact CZ-CG1 3.77Å; V247-V291 HydrophobicContact CG1-CG1 4.41Å; V247-V291 HydrophobicContact CG1-CG2 3.74Å; V247-V291 HydrophobicContact CG2-CG1 4.38Å; R252-V291 HydrophobicContact CB-CG2 4.26Å; R252-V291 WeakPolarHBondContact O-CG2 3.44Å; R252-V291 PolarHBondContact O-N 2.76Å; C254-V291 HydrophobicContact CB-CG1 3.57Å; I289-V291 PolarHBondContact O-N 2.72Å
292	M	94.4	Very high	77.2	Confident	8 Å²	8	61 Å²	61	4%	0.039	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	141.1	-177.5	-174.1	169.4	60.7	0	0	110.8	W140 F141 W149 P304 E307	W140-M292 WeakPolarHBondContact CA-O 3.48Å; F141-M292 PolarHBondContact N-O 2.97Å; F141-M292 PolarHBondContact O-N 2.73Å; W149-M292 HydrophobicContact CD2-CE 4.01Å; W149-M292 HydrophobicContact CE3-CB 4.33Å; W149-M292 HydrophobicContact CE3-CE 4.47Å; W149-M292 HydrophobicContact CG-CE 4.34Å; W149-M292 HydrophobicContact CH2-CB 3.68Å; W149-M292 HydrophobicContact CZ2-CB 4.23Å; W149-M292 HydrophobicContact CZ2-CE 4.05Å; W149-M292 HydrophobicContact CZ2-SD 4.28Å; W149-M292 HydrophobicContact CZ3-CB 3.74Å; M292-P304 HydrophobicContact CE-CB 3.79Å; M292-P304 HydrophobicContact CE-CG 3.28Å; M292-E307 HydrophobicContact CG-CB 4.15Å
293	R	95.6	Very high	80	Confident	20 Å²	20	59.7 Å²	59.7	8%	0.075	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	126.8	174.1	-175	175	179.7	-97.1	-4	109.6	V138 W140 E161 E307 D311	V138-R293 HydrophobicContact CG1-CG 3.89Å; W140-R293 HydrophobicContact CD2-CB 4.16Å; W140-R293 HydrophobicContact CD2-CG 4.44Å; W140-R293 HydrophobicContact CE3-CB 4.27Å; W140-R293 HydrophobicContact CH2-CB 4.06Å; W140-R293 HydrophobicContact CZ2-CB 3.85Å; W140-R293 HydrophobicContact CZ2-CG 3.9Å; W140-R293 HydrophobicContact CZ3-CB 4.25Å; E161-R293 IonicContact OE1-CZ 3.67Å; E161-R293 IonicContact OE1-NE 2.67Å; E161-R293 PolarHBondContact OE1-NE 3.21Å; E161-R293 IonicContact OE1-NH2 3.26Å; E161-R293 PolarHBondContact OE1-NH2 3.26Å; E161-R293 IonicContact OE2-CZ 3.81Å; E161-R293 IonicContact OE2-NE 3.71Å; E161-R293 PolarHBondContact OE2-NE 3.34Å; E161-R293 IonicContact OE2-NH2 3.96Å; R293-E307 HydrophobicContact CB-CG 4.45Å; R293-E307 PolarHBondContact N-OE2 3.21Å; R293-D311 IonicContact NH1-OD1 3.86Å
294	G	94.4	Very high	82.6	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.9	179.1	0	0	0	0	0	112.4	V138 R139 F297	V138-G294 WeakPolarHBondContact CG1-O 3.31Å; R139-G294 PolarHBondContact N-O 2.66Å; R139-G294 WeakPolarHBondContact O-CA 3.25Å; R139-G294 PolarHBondContact O-N 2.84Å; G294-F297 VanDerWaalsContact C-CZ 3.42Å; G294-F297 VanDerWaalsContact O-CZ 3.28Å; G294-F297 WeakPolarHBondContact O-CZ 3.44Å
295	Q	95.1	Very high	85.2	Confident	11 Å²	11	45.5 Å²	45.5	5%	0.051	25%	0.248	C	C	.	.	S	Bend	trans	-119.5	-36.4	172.2	-63	161.8	-76.3	0	0	112.5	L133 V138 F297 D311 G397	L133-Q295 HydrophobicContact CD1-CB 3.73Å; L133-Q295 HydrophobicContact CD1-CG 3.99Å; V138-Q295 HydrophobicContact CG2-CG 4.37Å; Q295-F297 WeakPolarHBondContact O-CE2 3.27Å; Q295-D311 PolarHBondContact OE1-OD1 3.09Å; Q295-G397 PolarHBondContact O-N 2.84Å
296	W	94.6	Very high	87.7	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.008	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.8	176.7	-71.3	87.4	0	0	0	110.7	L305 S310 I313 E314 H317 V363 L394 H395 R396	W296-L305 HydrophobicContact CB-CD1 3.96Å; W296-L305 HydrophobicContact CB-CG 4.44Å; W296-L305 PolarHBondContact O-N 2.88Å; W296-S310 PolarHBondContact N-OG 3.38Å; W296-I313 HydrophobicContact CD2-CG2 3.69Å; W296-I313 HydrophobicContact CE3-CG2 4.17Å; W296-I313 HydrophobicContact CG-CG2 4.06Å; W296-I313 HydrophobicContact CH2-CG2 4.27Å; W296-I313 HydrophobicContact CZ2-CG2 3.83Å; W296-I313 HydrophobicContact CZ3-CG2 4.43Å; W296-E314 PolarHBondContact NE1-OE2 2.78Å; W296-E314 VanDerWaalsContact NE1-OE2 3.11Å; W296-H317 HydrophobicContact CH2-CB 4.37Å; W296-H317 AromaticContact CH2-CG 3.94Å; W296-H317 AromaticContact CH2-ND1 3.93Å; W296-H317 HydrophobicContact CZ2-CB 3.8Å; W296-H317 AromaticContact CZ2-CD2 3.97Å; W296-H317 AromaticContact CZ2-CG 3.71Å; W296-V363 HydrophobicContact CH2-CG2 4.01Å; W296-V363 HydrophobicContact CZ3-CB 3.98Å; W296-V363 HydrophobicContact CZ3-CG1 4.04Å; W296-V363 HydrophobicContact CZ3-CG2 3.81Å; W296-L394 HydrophobicContact CE3-CB 4.01Å; W296-L394 HydrophobicContact CE3-CD1 4.41Å; W296-L394 HydrophobicContact CZ3-CB 4.46Å; W296-H395 WeakPolarHBondContact CA-O 3.36Å; W296-R396 HydrophobicContact CD2-CB 4.29Å; W296-R396 HydrophobicContact CD2-CG 4.4Å; W296-R396 HydrophobicContact CE3-CB 4.03Å; W296-R396 HydrophobicContact CH2-CB 3.7Å; W296-R396 HydrophobicContact CH2-CG 3.99Å; W296-R396 HydrophobicContact CZ2-CB 3.94Å; W296-R396 HydrophobicContact CZ2-CG 3.71Å; W296-R396 HydrophobicContact CZ3-CB 3.74Å; W296-R396 HydrophobicContact CZ3-CG 4.42Å
297	F	93.9	Very high	89.6	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	143.7	-168.7	-60	-80	0	0	0	112.4	R139 F141 G294 Q295 W302 L303 P304 L394 H395 G397 Y398	R139-F297 HydrophobicContact CB-CZ 4.05Å; F141-F297 AromaticContact CE2-CE1 3.54Å; F141-F297 HydrophobicContact CE2-CE1 3.54Å; F141-F297 HydrophobicContact CE2-CZ 4.21Å; F141-F297 HydrophobicContact CZ-CD1 4.37Å; F141-F297 AromaticContact CZ-CE1 3.7Å; F141-F297 HydrophobicContact CZ-CE1 3.7Å; G294-F297 VanDerWaalsContact C-CZ 3.42Å; G294-F297 VanDerWaalsContact O-CZ 3.28Å; G294-F297 WeakPolarHBondContact O-CZ 3.44Å; Q295-F297 WeakPolarHBondContact O-CE2 3.27Å; F297-W302 HydrophobicContact CB-CE3 3.77Å; F297-W302 HydrophobicContact CB-CZ3 4.25Å; F297-W302 WeakPolarHBondContact CD1-O 3.26Å; F297-W302 HydrophobicContact CD2-CE3 4.46Å; F297-W302 HydrophobicContact CG-CE3 4.11Å; F297-L303 WeakPolarHBondContact CA-O 3.2Å; F297-P304 HydrophobicContact CD1-CB 4.25Å; F297-P304 HydrophobicContact CE1-CB 3.98Å; F297-L394 CarbonylContact O-C 3.58Å; F297-L394 VanDerWaalsContact O-CA 3.26Å; F297-L394 WeakPolarHBondContact O-CA 3.26Å; F297-H395 PolarHBondContact N-O 3.06Å; F297-H395 PolarHBondContact O-N 2.86Å; F297-G397 VanDerWaalsContact CD2-O 3.24Å; F297-G397 WeakPolarHBondContact CD2-O 3.45Å; F297-G397 VanDerWaalsContact CE2-C 3.43Å; F297-Y398 AromaticContact CD1-CD2 3.94Å; F297-Y398 HydrophobicContact CD1-CD2 3.94Å; F297-Y398 HydrophobicContact CD1-CE2 4.39Å; F297-Y398 HydrophobicContact CD2-CD2 4.37Å; F297-Y398 AromaticContact CE1-CD2 3.62Å; F297-Y398 HydrophobicContact CE1-CD2 3.62Å; F297-Y398 HydrophobicContact CE1-CE2 4.23Å; F297-Y398 HydrophobicContact CE2-CD2 4.06Å; F297-Y398 HydrophobicContact CG-CD2 4.3Å; F297-Y398 AromaticContact CZ-CD2 3.67Å; F297-Y398 HydrophobicContact CZ-CD2 3.67Å; F297-Y398 HydrophobicContact CZ-CG 4.28Å
298	I	91.3	Very high	91	Very high	49 Å²	49	42.4 Å²	42.4	25%	0.251	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	128.9	174.5	-64.7	169.3	0	0	0	110	S301 W302 L303 L305 T392 L394	I298-S301 WeakPolarHBondContact CB-OG 3.25Å; I298-S301 WeakPolarHBondContact CG2-OG 3.4Å; I298-S301 PolarHBondContact O-N 3.03Å; I298-W302 WeakPolarHBondContact O-CA 3.41Å; I298-W302 PolarHBondContact O-N 2.93Å; I298-L303 PolarHBondContact N-O 2.81Å; I298-L305 HydrophobicContact CD1-CD2 4.18Å; I298-L305 HydrophobicContact CG1-CD2 3.87Å; I298-T392 HydrophobicContact CB-CG2 4.47Å; I298-T392 HydrophobicContact CG1-CG2 4.4Å; I298-T392 HydrophobicContact CG2-CG2 3.6Å; I298-L394 HydrophobicContact CG1-CD2 4.37Å
299	D	85.4	Confident	91.6	Very high	75 Å²	75	41.8 Å²	41.8	40%	0.401	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	139.3	177.2	-169.8	21	0	0	0	112.2	S301 R393 H395	D299-S301 VanDerWaalsContact C-N 3.26Å; D299-S301 PolarHBondContact O-N 3.33Å; D299-S301 VanDerWaalsContact O-N 3.17Å; D299-R393 HydrophobicContact CB-CB 3.82Å; D299-R393 HydrophobicContact CB-CG 4.18Å; D299-R393 VanDerWaalsContact CB-O 3.27Å; D299-R393 WeakPolarHBondContact CB-O 3.42Å; D299-R393 PolarHBondContact N-O 3.09Å; D299-R393 WeakPolarHBondContact OD2-CD 3.43Å; D299-H395 IonicContact OD1-CD2 2.7Å; D299-H395 PolarHBondContact OD1-CD2 3.34Å; D299-H395 IonicContact OD1-CE1 2.76Å; D299-H395 IonicContact OD1-NE2 3.44Å; D299-H395 PolarHBondContact OD1-NE2 3.03Å; D299-H395 IonicContact OD2-NE2 2.67Å
300	G	85.5	Confident	91.8	Very high	66 Å²	66	40 Å²	40	68%	0.68	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	82	-41.2	-176.1	0	0	0	0	0	115.2
301	S	87.9	Confident	91.8	Very high	60 Å²	60	40.5 Å²	40.5	42%	0.42	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-24.6	179.7	68.3	0	0	0	0	114	I298 D299 L303	I298-S301 WeakPolarHBondContact CB-OG 3.25Å; I298-S301 WeakPolarHBondContact CG2-OG 3.4Å; I298-S301 PolarHBondContact O-N 3.03Å; D299-S301 VanDerWaalsContact C-N 3.26Å; D299-S301 PolarHBondContact O-N 3.33Å; D299-S301 VanDerWaalsContact O-N 3.17Å; S301-L303 PolarHBondContact O-N 3.07Å; S301-L303 VanDerWaalsContact O-N 3.13Å; S301-L303 PolarHBondContact OG-N 3.46Å
302	W	91	Very high	91.8	Very high	59 Å²	59	44.1 Å²	44.1	22%	0.223	24%	0.238	C	C	.	.			trans	53.6	25.9	-173.3	-64.8	96.5	0	0	0	113.9	F297 I298 H395 Y398 V399	F297-W302 HydrophobicContact CB-CE3 3.77Å; F297-W302 HydrophobicContact CB-CZ3 4.25Å; F297-W302 WeakPolarHBondContact CD1-O 3.26Å; F297-W302 HydrophobicContact CD2-CE3 4.46Å; F297-W302 HydrophobicContact CG-CE3 4.11Å; I298-W302 WeakPolarHBondContact O-CA 3.41Å; I298-W302 PolarHBondContact O-N 2.93Å; W302-H395 HydrophobicContact CE3-CB 4.49Å; W302-H395 HydrophobicContact CH2-CB 3.66Å; W302-H395 AromaticContact CH2-CD2 3.66Å; W302-H395 AromaticContact CH2-CG 3.5Å; W302-H395 AromaticContact CH2-ND1 3.99Å; W302-H395 AromaticContact CZ2-CD2 3.87Å; W302-H395 HydrophobicContact CZ3-CB 3.55Å; W302-H395 AromaticContact CZ3-CG 3.91Å; W302-Y398 HydrophobicContact CB-CE2 4.02Å; W302-Y398 HydrophobicContact CE3-CD2 4.4Å; W302-V399 HydrophobicContact CD2-CB 3.69Å; W302-V399 HydrophobicContact CD2-CG1 3.97Å; W302-V399 HydrophobicContact CD2-CG2 4.49Å; W302-V399 HydrophobicContact CE3-CB 3.81Å; W302-V399 HydrophobicContact CE3-CG1 4.27Å; W302-V399 HydrophobicContact CG-CB 4.4Å; W302-V399 HydrophobicContact CG-CG1 4.2Å; W302-V399 HydrophobicContact CH2-CB 3.69Å; W302-V399 HydrophobicContact CH2-CG2 4.17Å; W302-V399 HydrophobicContact CZ2-CB 3.57Å; W302-V399 HydrophobicContact CZ2-CG2 3.71Å; W302-V399 HydrophobicContact CZ3-CB 3.8Å
303	L	90.6	Very high	91.7	Very high	73 Å²	73	43.8 Å²	43.8	38%	0.382	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-76.3	136.7	171.5	-69.1	175.1	0	0	0	109.3	W149 F297 I298 S301	W149-L303 HydrophobicContact CB-CD2 4.41Å; F297-L303 WeakPolarHBondContact CA-O 3.2Å; I298-L303 PolarHBondContact N-O 2.81Å; S301-L303 PolarHBondContact O-N 3.07Å; S301-L303 VanDerWaalsContact O-N 3.13Å; S301-L303 PolarHBondContact OG-N 3.46Å
304	P	93	Very high	91.7	Very high	13 Å²	13	43.4 Å²	43.4	8%	0.084	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-65.9	146.7	176	29.3	-36.6	0	0	0	110.5	F141 M292 F297	F141-P304 HydrophobicContact CB-CG 4.43Å; F141-P304 HydrophobicContact CD1-CG 4.02Å; F141-P304 HydrophobicContact CD2-CB 4.18Å; F141-P304 HydrophobicContact CD2-CG 3.75Å; F141-P304 HydrophobicContact CE1-CG 4.22Å; F141-P304 HydrophobicContact CE2-CB 4.17Å; F141-P304 HydrophobicContact CE2-CG 4Å; F141-P304 HydrophobicContact CG-CG 3.79Å; F141-P304 HydrophobicContact CZ-CG 4.22Å; M292-P304 HydrophobicContact CE-CB 3.79Å; M292-P304 HydrophobicContact CE-CG 3.28Å; F297-P304 HydrophobicContact CD1-CB 4.25Å; F297-P304 HydrophobicContact CE1-CB 3.98Å
305	L	91.3	Very high	91.7	Very high	11 Å²	11	49 Å²	49	6%	0.058	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-70.2	163.4	162	-63.9	-177.7	0	0	0	110.5	W296 I298 E307 I313 L365 L394	W296-L305 HydrophobicContact CB-CD1 3.96Å; W296-L305 HydrophobicContact CB-CG 4.44Å; W296-L305 PolarHBondContact O-N 2.88Å; I298-L305 HydrophobicContact CD1-CD2 4.18Å; I298-L305 HydrophobicContact CG1-CD2 3.87Å; L305-E307 PolarHBondContact O-N 3.31Å; L305-I313 HydrophobicContact CD1-CD1 3.74Å; L305-L365 HydrophobicContact CD2-CD2 3.89Å; L305-L394 HydrophobicContact CD1-CD1 3.73Å; L305-L394 HydrophobicContact CD1-CD2 3.9Å; L305-L394 HydrophobicContact CD1-CG 4.46Å; L305-L394 HydrophobicContact CD2-CD2 4.15Å; L305-L394 HydrophobicContact CG-CD2 4.3Å
306	E	90.6	Very high	91.6	Very high	119 Å²	119	50.7 Å²	50.7	56%	0.556	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-57	136.9	171.1	-65.9	-61.9	150.8	0	0	109.7	E308 E309 S310	E306-E308 VanDerWaalsContact C-N 3.32Å; E306-E308 PolarHBondContact O-N 3.31Å; E306-E309 PolarHBondContact O-N 3.4Å; E306-E309 VanDerWaalsContact O-N 3.1Å; E306-S310 WeakPolarHBondContact O-CB 3.45Å; E306-S310 PolarHBondContact O-N 3.42Å
307	E	90.6	Very high	91.5	Very high	29 Å²	29	50.8 Å²	50.8	14%	0.136	27%	0.27	C	S	.	.	H	α-helix	trans	-58.1	-43	-167.9	-172.1	165.8	169.3	0	0	112.4	R252 M292 R293 L305 E309 S310 D311	R252-E307 IonicContact CZ-OE1 3.11Å; R252-E307 IonicContact CZ-OE2 2.84Å; R252-E307 IonicContact NH1-OE1 2.64Å; R252-E307 PolarHBondContact NH1-OE1 3.49Å; R252-E307 IonicContact NH1-OE2 3.29Å; R252-E307 PolarHBondContact NH1-OE2 2.98Å; R252-E307 IonicContact NH2-OE1 3.11Å; R252-E307 PolarHBondContact NH2-OE1 3.34Å; R252-E307 IonicContact NH2-OE2 3.16Å; M292-E307 HydrophobicContact CG-CB 4.15Å; R293-E307 HydrophobicContact CB-CG 4.45Å; R293-E307 PolarHBondContact N-OE2 3.21Å; L305-E307 PolarHBondContact O-N 3.31Å; E307-E309 PolarHBondContact O-N 3.45Å; E307-S310 WeakPolarHBondContact O-CB 3.46Å; E307-S310 PolarHBondContact O-N 3.24Å; E307-D311 WeakPolarHBondContact O-CB 3.28Å; E307-D311 PolarHBondContact O-N 3.34Å
308	E	90.8	Very high	91.4	Very high	147 Å²	147	51.9 Å²	51.9	69%	0.687	28%	0.276	S	S	*	.	H	α-helix	trans	-60.9	-43.1	177.7	-62.8	173.5	-172.6	0	0	112.7	E306 L312	E306-E308 VanDerWaalsContact C-N 3.32Å; E306-E308 PolarHBondContact O-N 3.31Å; E308-L312 WeakPolarHBondContact O-CG 3.37Å; E308-L312 PolarHBondContact O-N 2.78Å
309	E	91.7	Very high	91.4	Very high	39 Å²	39	54.7 Å²	54.7	18%	0.182	29%	0.292	C	S	.	.	H	α-helix	trans	-70.5	-40	177.5	-65.9	-169.9	148.9	0	0	110.6	E306 E307 L312 I313 L350 T353	E306-E309 PolarHBondContact O-N 3.4Å; E306-E309 VanDerWaalsContact O-N 3.1Å; E307-E309 PolarHBondContact O-N 3.45Å; E309-L312 PolarHBondContact O-N 2.91Å; E309-I313 WeakPolarHBondContact O-CD1 3.46Å; E309-I313 WeakPolarHBondContact O-CG1 3.48Å; E309-I313 PolarHBondContact O-N 2.68Å; E309-L350 HydrophobicContact CB-CD1 4.2Å; E309-L350 HydrophobicContact CG-CD1 4.27Å; E309-T353 PolarHBondContact OE1-OG1 3.37Å
310	S	93	Very high	91.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61	-42.6	176.8	179.4	0	0	0	0	112	W296 E306 E307 I313 E314	W296-S310 PolarHBondContact N-OG 3.38Å; E306-S310 WeakPolarHBondContact O-CB 3.45Å; E306-S310 PolarHBondContact O-N 3.42Å; E307-S310 WeakPolarHBondContact O-CB 3.46Å; E307-S310 PolarHBondContact O-N 3.24Å; S310-I313 PolarHBondContact O-N 3.43Å; S310-E314 WeakPolarHBondContact O-CB 3.28Å; S310-E314 PolarHBondContact O-N 3.32Å
311	D	92.6	Very high	91.7	Very high	61 Å²	61	52.6 Å²	52.6	33%	0.326	26%	0.261	S	S	.	.	H	α-helix	trans	-64.5	-42.8	178.1	-79.1	-25.6	0	0	0	111.7	R293 Q295 E307 E314 Q315	R293-D311 IonicContact NH1-OD1 3.86Å; Q295-D311 PolarHBondContact OE1-OD1 3.09Å; E307-D311 WeakPolarHBondContact O-CB 3.28Å; E307-D311 PolarHBondContact O-N 3.34Å; D311-E314 PolarHBondContact O-N 3.49Å; D311-Q315 WeakPolarHBondContact O-CB 3.32Å; D311-Q315 PolarHBondContact O-N 2.82Å
312	L	93.9	Very high	91.7	Very high	85 Å²	85	56.9 Å²	56.9	45%	0.445	27%	0.268	S	S	.	.	H	α-helix	trans	-63.3	-44.3	175.8	-69.8	172.9	0	0	0	111.9	E308 E309 E314 Q315 E316 L350	E308-L312 WeakPolarHBondContact O-CG 3.37Å; E308-L312 PolarHBondContact O-N 2.78Å; E309-L312 PolarHBondContact O-N 2.91Å; L312-E314 VanDerWaalsContact C-N 3.33Å; L312-Q315 PolarHBondContact O-N 2.89Å; L312-E316 WeakPolarHBondContact O-CB 3.31Å; L312-E316 PolarHBondContact O-N 2.79Å; L312-L350 HydrophobicContact CB-CD2 4.26Å; L312-L350 HydrophobicContact CD1-CD2 3.96Å
313	I	93.7	Very high	91.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.7	-43.2	177.5	-66.1	165.1	0	0	0	110.1	W296 L305 E309 S310 E316 H317 L348 L350 V355 W357 L394	W296-I313 HydrophobicContact CD2-CG2 3.69Å; W296-I313 HydrophobicContact CE3-CG2 4.17Å; W296-I313 HydrophobicContact CG-CG2 4.06Å; W296-I313 HydrophobicContact CH2-CG2 4.27Å; W296-I313 HydrophobicContact CZ2-CG2 3.83Å; W296-I313 HydrophobicContact CZ3-CG2 4.43Å; L305-I313 HydrophobicContact CD1-CD1 3.74Å; E309-I313 WeakPolarHBondContact O-CD1 3.46Å; E309-I313 WeakPolarHBondContact O-CG1 3.48Å; E309-I313 PolarHBondContact O-N 2.68Å; S310-I313 PolarHBondContact O-N 3.43Å; I313-E316 PolarHBondContact O-N 2.84Å; I313-H317 WeakPolarHBondContact O-CB 3.42Å; I313-H317 PolarHBondContact O-N 3.06Å; I313-L348 HydrophobicContact CG1-CD2 4.22Å; I313-L350 HydrophobicContact CD1-CD1 4.24Å; I313-L350 HydrophobicContact CG1-CD1 4.39Å; I313-V355 HydrophobicContact CD1-CG2 3.77Å; I313-V355 HydrophobicContact CG1-CG2 3.96Å; I313-W357 HydrophobicContact CG2-CH2 4.21Å; I313-W357 HydrophobicContact CG2-CZ2 3.76Å; I313-L394 HydrophobicContact CD1-CD1 4.31Å
314	E	94.8	Very high	91	Very high	12 Å²	12	57.1 Å²	57.1	6%	0.056	28%	0.284	C	S	.	.	H	α-helix	trans	-65	-44.9	178.5	178.7	62.6	-175.2	0	0	112.1	W296 S310 D311 L312 E316 H317 L318 R396	W296-E314 PolarHBondContact NE1-OE2 2.78Å; W296-E314 VanDerWaalsContact NE1-OE2 3.11Å; S310-E314 WeakPolarHBondContact O-CB 3.28Å; S310-E314 PolarHBondContact O-N 3.32Å; D311-E314 PolarHBondContact O-N 3.49Å; L312-E314 VanDerWaalsContact C-N 3.33Å; E314-E316 VanDerWaalsContact C-N 3.34Å; E314-E316 PolarHBondContact O-N 2.89Å; E314-H317 PolarHBondContact O-N 3.13Å; E314-L318 HydrophobicContact CG-CD1 4.15Å; E314-L318 WeakPolarHBondContact O-CG 3.35Å; E314-L318 PolarHBondContact O-N 2.83Å; E314-L318 WeakPolarHBondContact OE1-CD1 3.41Å; E314-R396 IonicContact OE1-CZ 3.73Å; E314-R396 IonicContact OE1-NE 3.61Å; E314-R396 PolarHBondContact OE1-NE 2.51Å; E314-R396 IonicContact OE1-NH2 3.3Å; E314-R396 PolarHBondContact OE1-NH2 2.83Å; E314-R396 IonicContact OE2-CZ 3.32Å; E314-R396 IonicContact OE2-NE 3.45Å; E314-R396 PolarHBondContact OE2-NE 3.39Å; E314-R396 IonicContact OE2-NH2 3.42Å
315	Q	93.6	Very high	90.2	Very high	118 Å²	118	60.7 Å²	60.7	55%	0.551	30%	0.299	S	S	*	.	H	α-helix	trans	-59.4	-47	177	-174	178.8	11.4	0	0	111.1	D311 L312 L318 N319	D311-Q315 WeakPolarHBondContact O-CB 3.32Å; D311-Q315 PolarHBondContact O-N 2.82Å; L312-Q315 PolarHBondContact O-N 2.89Å; Q315-L318 PolarHBondContact O-N 2.84Å; Q315-N319 WeakPolarHBondContact O-CB 3.47Å; Q315-N319 PolarHBondContact O-N 3.17Å; Q315-N319 PolarHBondContact O-ND2 2.83Å
316	E	93.8	Very high	89.1	Confident	46 Å²	46	61.5 Å²	61.5	22%	0.215	30%	0.304	C	S	.	.	H	α-helix	trans	-67.3	-39.9	179.8	-162.2	64.7	-169	0	0	111.9	L312 I313 E314 L318 N319 H320 H346 L348	L312-E316 WeakPolarHBondContact O-CB 3.31Å; L312-E316 PolarHBondContact O-N 2.79Å; I313-E316 PolarHBondContact O-N 2.84Å; E314-E316 VanDerWaalsContact C-N 3.34Å; E314-E316 PolarHBondContact O-N 2.89Å; E316-L318 PolarHBondContact O-N 2.86Å; E316-N319 PolarHBondContact O-N 3.08Å; E316-H320 PolarHBondContact O-CD2 3.19Å; E316-H320 PolarHBondContact O-N 3.4Å; E316-H320 VanDerWaalsContact O-N 3.09Å; E316-H320 IonicContact OE1-CD2 3.33Å; E316-H320 PolarHBondContact OE1-CD2 2.88Å; E316-H320 VanDerWaalsContact OE1-CD2 3.29Å; E316-H320 IonicContact OE1-NE2 2.79Å; E316-H320 PolarHBondContact OE1-NE2 3.32Å; E316-H320 VanDerWaalsContact OE1-NE2 3.16Å; E316-H346 WeakPolarHBondContact CG-NE2 3.43Å; E316-H346 IonicContact OE1-CE1 2.68Å; E316-H346 PolarHBondContact OE1-CE1 3.19Å; E316-H346 IonicContact OE1-NE2 2.63Å; E316-H346 PolarHBondContact OE1-NE2 3.12Å; E316-H346 VanDerWaalsContact OE1-NE2 3.11Å; E316-L348 HydrophobicContact CB-CD2 4.09Å; E316-L348 HydrophobicContact CG-CD1 4.28Å; E316-L348 HydrophobicContact CG-CD2 4.41Å
317	H	92.1	Very high	87.4	Confident	4 Å²	4	63 Å²	63	2%	0.019	31%	0.311	C	S	.	.	H	α-helix	trans	-61.1	-44.1	176	-173.7	72.4	0	0	0	111.8	W296 I313 E314 F321 W357 V360	W296-H317 HydrophobicContact CH2-CB 4.37Å; W296-H317 AromaticContact CH2-CG 3.94Å; W296-H317 AromaticContact CH2-ND1 3.93Å; W296-H317 HydrophobicContact CZ2-CB 3.8Å; W296-H317 AromaticContact CZ2-CD2 3.97Å; W296-H317 AromaticContact CZ2-CG 3.71Å; I313-H317 WeakPolarHBondContact O-CB 3.42Å; I313-H317 PolarHBondContact O-N 3.06Å; E314-H317 PolarHBondContact O-N 3.13Å; H317-F321 AromaticContact CE1-CD2 3.91Å; H317-F321 AromaticContact ND1-CD2 3.5Å; H317-F321 WeakPolarHBondContact ND1-CD2 3.45Å; H317-F321 WeakPolarHBondContact O-CB 3.31Å; H317-F321 WeakPolarHBondContact O-CD2 3.47Å; H317-F321 PolarHBondContact O-N 2.97Å; H317-W357 HydrophobicContact CB-CZ2 4.38Å; H317-W357 AromaticContact ND1-CD1 3.77Å; H317-W357 AromaticContact ND1-NE1 3.18Å; H317-W357 PolarHBondContact ND1-NE1 3.43Å; H317-W357 VanDerWaalsContact ND1-NE1 3.18Å; H317-V360 PolarHBondContact CE1-O 2.98Å
318	L	92.3	Very high	85.1	Confident	23 Å²	23	67.1 Å²	67.1	12%	0.12	33%	0.334	C	S	.	.	H	α-helix	trans	-67.7	-41.4	175.8	-68.8	173.7	0	0	0	112	V130 E132 E314 Q315 E316 H320 R322	V130-L318 HydrophobicContact CG1-CD2 4.28Å; E132-L318 HydrophobicContact CG-CD1 3.57Å; E132-L318 HydrophobicContact CG-CD2 4.4Å; E314-L318 HydrophobicContact CG-CD1 4.15Å; E314-L318 WeakPolarHBondContact O-CG 3.35Å; E314-L318 PolarHBondContact O-N 2.83Å; E314-L318 WeakPolarHBondContact OE1-CD1 3.41Å; Q315-L318 PolarHBondContact O-N 2.84Å; E316-L318 PolarHBondContact O-N 2.86Å; L318-H320 PolarHBondContact O-N 3.46Å; L318-R322 WeakPolarHBondContact O-CB 3.35Å; L318-R322 PolarHBondContact O-N 3.46Å; L318-R322 VanDerWaalsContact O-N 3.08Å
319	N	91.9	Very high	82.4	Confident	109 Å²	109	65.9 Å²	65.9	58%	0.583	34%	0.336	S	S	*	.	H	α-helix	trans	-58.5	-37.7	178.4	-73.5	-22	0	0	0	112.5	Q315 E316	Q315-N319 WeakPolarHBondContact O-CB 3.47Å; Q315-N319 PolarHBondContact O-N 3.17Å; Q315-N319 PolarHBondContact O-ND2 2.83Å; E316-N319 PolarHBondContact O-N 3.08Å
320	H	88	Confident	79.8	Confident	88 Å²	88	72.1 Å²	72.1	41%	0.407	36%	0.363	S	S	.	.	H	α-helix	trans	-93.2	-35.1	-175.4	-82.6	-85.6	0	0	0	114.5	E316 L318 Q324 H346	E316-H320 PolarHBondContact O-CD2 3.19Å; E316-H320 PolarHBondContact O-N 3.4Å; E316-H320 VanDerWaalsContact O-N 3.09Å; E316-H320 IonicContact OE1-CD2 3.33Å; E316-H320 PolarHBondContact OE1-CD2 2.88Å; E316-H320 VanDerWaalsContact OE1-CD2 3.29Å; E316-H320 IonicContact OE1-NE2 2.79Å; E316-H320 PolarHBondContact OE1-NE2 3.32Å; E316-H320 VanDerWaalsContact OE1-NE2 3.16Å; L318-H320 PolarHBondContact O-N 3.46Å; H320-Q324 PolarHBondContact O-NE2 3.48Å; H320-H346 AromaticContact CD2-CE1 3.54Å; H320-H346 AromaticContact CD2-ND1 3.86Å; H320-H346 AromaticContact CD2-NE2 3.89Å; H320-H346 AromaticContact CE1-CE1 3.61Å; H320-H346 AromaticContact CE1-ND1 3.47Å; H320-H346 PolarHBondContact CE1-ND1 3.39Å; H320-H346 AromaticContact CG-ND1 3.99Å; H320-H346 AromaticContact ND1-ND1 3.75Å; H320-H346 AromaticContact NE2-CE1 3.21Å; H320-H346 PolarHBondContact NE2-CE1 2.89Å; H320-H346 AromaticContact NE2-ND1 3.56Å; H320-H346 AromaticContact NE2-NE2 3.98Å
321	F	89.1	Confident	77	Confident	8 Å²	8	80.4 Å²	80.4	4%	0.035	40%	0.402	C	S	.	.	H	α-helix	trans	-116.7	-7	-168.1	-56.2	-77.4	0	0	0	114.6	V130 H317 G323 Q324 I345 H346 W357 V360	V130-F321 VanDerWaalsContact CB-O 3.28Å; V130-F321 WeakPolarHBondContact CB-O 3.5Å; V130-F321 HydrophobicContact CG1-CB 4.36Å; V130-F321 HydrophobicContact CG2-CB 4.32Å; H317-F321 AromaticContact CE1-CD2 3.91Å; H317-F321 AromaticContact ND1-CD2 3.5Å; H317-F321 WeakPolarHBondContact ND1-CD2 3.45Å; H317-F321 WeakPolarHBondContact O-CB 3.31Å; H317-F321 WeakPolarHBondContact O-CD2 3.47Å; H317-F321 PolarHBondContact O-N 2.97Å; F321-G323 PolarHBondContact O-N 3.33Å; F321-Q324 VanDerWaalsContact O-CB 3.25Å; F321-Q324 WeakPolarHBondContact O-CB 3.47Å; F321-Q324 WeakPolarHBondContact O-CG 3.21Å; F321-Q324 PolarHBondContact O-N 3.44Å; F321-I345 HydrophobicContact CE1-CG2 4.48Å; F321-H346 HydrophobicContact CZ-CB 4.37Å; F321-W357 HydrophobicContact CE2-CB 4.27Å; F321-W357 AromaticContact CE2-CD1 3.61Å; F321-W357 HydrophobicContact CE2-CD2 4.45Å; F321-W357 AromaticContact CE2-CG 3.86Å; F321-W357 HydrophobicContact CE2-CG 3.86Å; F321-W357 HydrophobicContact CZ-CB 4.06Å; F321-W357 HydrophobicContact CZ-CG 4.16Å; F321-V360 HydrophobicContact CB-CG1 4.5Å; F321-V360 HydrophobicContact CD1-CG2 3.83Å; F321-V360 HydrophobicContact CE1-CG2 4.41Å; F321-V360 HydrophobicContact CG-CG2 4.45Å
322	R	87.7	Confident	74.4	Confident	150 Å²	150	83.9 Å²	83.9	57%	0.566	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	129.6	178.6	-176	-180	-159.7	155.6	14.4	111.4	V130 E132 L318 Q324	V130-R322 CarbonylContact O-C 3.57Å; V130-R322 WeakPolarHBondContact O-CA 3.27Å; E132-R322 IonicContact OE1-CZ 3.87Å; E132-R322 IonicContact OE1-NH1 3.78Å; E132-R322 PolarHBondContact OE1-NH1 3.26Å; E132-R322 IonicContact OE1-NH2 2.87Å; E132-R322 PolarHBondContact OE1-NH2 3.08Å; L318-R322 WeakPolarHBondContact O-CB 3.35Å; L318-R322 PolarHBondContact O-N 3.46Å; L318-R322 VanDerWaalsContact O-N 3.08Å; R322-Q324 VanDerWaalsContact C-N 3.33Å
323	G	82.9	Confident	71.5	Confident	53 Å²	53	86.6 Å²	86.6	55%	0.546	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	5.1	-177.7	0	0	0	0	0	115.3	V129 V130 F321	V129-G323 VanDerWaalsContact CG1-CA 3.46Å; V129-G323 WeakPolarHBondContact CG1-O 3.29Å; V130-G323 PolarHBondContact O-N 2.75Å; F321-G323 PolarHBondContact O-N 3.33Å
324	Q	83.3	Confident	69.1	Low	84 Å²	84	94.2 Å²	94.2	39%	0.393	48%	0.48	S	S	.	.			trans	-87.7	145.5	169.2	-60.8	-173.6	27	0	0	112.1	V129 V130 H320 F321 R322	V129-Q324 CarbonylContact C-O 3.58Å; V129-Q324 VanDerWaalsContact CA-O 3.27Å; V129-Q324 WeakPolarHBondContact CA-O 3.5Å; V129-Q324 WeakPolarHBondContact CG1-O 3.39Å; V130-Q324 PolarHBondContact N-O 2.78Å; H320-Q324 PolarHBondContact O-NE2 3.48Å; F321-Q324 VanDerWaalsContact O-CB 3.25Å; F321-Q324 WeakPolarHBondContact O-CB 3.47Å; F321-Q324 WeakPolarHBondContact O-CG 3.21Å; F321-Q324 PolarHBondContact O-N 3.44Å; R322-Q324 VanDerWaalsContact C-N 3.33Å
325	H	76.1	Confident	66.2	Low	88 Å²	88	98.7 Å²	98.7	41%	0.407	51%	0.509	S	S	.	.	B	Isolated β-bridge	trans	-77.5	136	-178.6	-168.8	-80.3	0	0	0	112.1	E128 Q327	E128-H325 VanDerWaalsContact CD-NE2 3.31Å; E128-H325 VanDerWaalsContact CG-NE2 3.33Å; E128-H325 WeakPolarHBondContact CG-NE2 3.45Å; E128-H325 WeakPolarHBondContact O-CA 3.21Å; E128-H325 PolarHBondContact O-CD2 2.91Å; E128-H325 IonicContact OE1-CD2 2.66Å; E128-H325 IonicContact OE1-CE1 2.96Å; E128-H325 IonicContact OE1-NE2 3.68Å; E128-H325 PolarHBondContact OE1-NE2 3.41Å; H325-Q327 PolarHBondContact O-N 3.26Å; H325-Q327 VanDerWaalsContact O-N 3.12Å
326	L	69.1	Low	63.7	Low	29 Å²	29	99.9 Å²	99.9	15%	0.152	52%	0.523	C	S	.	.			trans	-80	86.4	173.7	-70.8	162.4	0	0	0	108.6	E128 V130 D328 V360 E361	E128-L326 PolarHBondContact O-N 3.47Å; E128-L326 VanDerWaalsContact O-N 3.07Å; V130-L326 HydrophobicContact CG2-CD2 4.22Å; V130-L326 HydrophobicContact CG2-CG 4.31Å; L326-D328 PolarHBondContact O-N 3.47Å; L326-V360 HydrophobicContact CD2-CB 4.39Å; L326-V360 HydrophobicContact CD2-CG1 3.55Å; L326-E361 HydrophobicContact CD2-CG 3.75Å
327	Q	53.9	Low	61	Low	149 Å²	149	106 Å²	106	70%	0.696	55%	0.549	S	S	*	.			trans	-67.7	117.6	-177.3	-75.8	-178.8	4.5	0	0	112.1	H325 T329	H325-Q327 PolarHBondContact O-N 3.26Å; H325-Q327 VanDerWaalsContact O-N 3.12Å; Q327-T329 PolarHBondContact O-N 3.21Å
328	D	42.4	Very low	58.6	Low	116 Å²	116	111 Å²	111	62%	0.62	58%	0.58	S	S	*	*			trans	-61.2	96.2	161.7	-96.3	-20.7	0	0	0	109.4	L326 F330	L326-D328 PolarHBondContact O-N 3.47Å; D328-F330 HydrophobicContact CB-CD2 4.23Å; D328-F330 PolarHBondContact O-N 3.46Å
329	T	35.1	Very low	56.5	Low	121 Å²	121	113.9 Å²	113.9	74%	0.742	60%	0.598	S	S	*	*			trans	-80.7	69.2	168.5	-45.3	0	0	0	0	108.8	Q327 E331	Q327-T329 PolarHBondContact O-N 3.21Å; T329-E331 PolarHBondContact O-N 3.45Å; T329-E331 VanDerWaalsContact O-N 3.09Å
330	F	36.8	Very low	54.2	Low	170 Å²	170	113.7 Å²	113.7	75%	0.746	60%	0.598	S	S	*	*			trans	-76.8	78.4	159.9	-90	-84.5	0	0	0	108.7	D328	D328-F330 HydrophobicContact CB-CD2 4.23Å; D328-F330 PolarHBondContact O-N 3.46Å
331	E	33.8	Very low	52.4	Low	175 Å²	175	115.3 Å²	115.3	82%	0.818	62%	0.618	S	S	*	*			trans	-116.7	107.6	155	-92.5	-171.7	164.8	0	0	109.3	T329 D333	T329-E331 PolarHBondContact O-N 3.45Å; T329-E331 VanDerWaalsContact O-N 3.09Å; E331-D333 PolarHBondContact O-N 2.92Å
332	T	38.8	Very low	50.7	Low	133 Å²	133	123.5 Å²	123.5	82%	0.816	65%	0.654	S	S	*	*			trans	-58.8	100.7	162	-62.3	0	0	0	0	107.9
333	D	32.4	Very low	49.7	Very low	143 Å²	143	123.8 Å²	123.8	77%	0.765	67%	0.667	S	S	*	*			trans	-165	124.8	136.7	-107.5	-17.9	0	0	0	113.4	E331 V335	E331-D333 PolarHBondContact O-N 2.92Å; D333-V335 PolarHBondContact O-N 3.17Å
334	L	44.1	Very low	49.3	Very low	159 Å²	159	123 Å²	123	83%	0.832	66%	0.656	S	S	*	*			trans	-20.6	115.2	162.1	-62.4	155	0	0	0	114.8
335	V	33.9	Very low	49.5	Very low	107 Å²	107	124.4 Å²	124.4	65%	0.648	66%	0.664	S	S	*	*				177.6	123.2	125.9	169.2	0	0	0	0	106.5	D333 K337	D333-V335 PolarHBondContact O-N 3.17Å; V335-K337 HydrophobicContact CB-CG 4.19Å; V335-K337 HydrophobicContact CG1-CG 3.68Å; V335-K337 PolarHBondContact O-N 3.18Å
336	V	40.7	Very low	50	Low	142 Å²	142	121.6 Å²	121.6	86%	0.861	65%	0.651	S	S	*	*			trans	-62.3	86.7	160.3	177.1	0	0	0	0	106.7	T338	V336-T338 PolarHBondContact O-N 2.93Å
337	K	37.3	Very low	51	Low	176 Å²	176	124.7 Å²	124.7	77%	0.765	67%	0.665	S	S	*	*			trans	-76.9	106.1	171	-74.9	-177.8	-179.7	168.7	0	105.3	V335 V339	V335-K337 HydrophobicContact CB-CG 4.19Å; V335-K337 HydrophobicContact CG1-CG 3.68Å; V335-K337 PolarHBondContact O-N 3.18Å; K337-V339 PolarHBondContact O-N 2.91Å
338	T	41.8	Very low	52.7	Low	107 Å²	107	119 Å²	119	66%	0.656	64%	0.639	S	S	*	*			trans	-49.3	124.7	164	49.1	0	0	0	0	107.9	V336 D340	V336-T338 PolarHBondContact O-N 2.93Å; T338-D340 PolarHBondContact O-N 3.27Å
339	V	47.2	Very low	54.9	Low	84 Å²	84	118.9 Å²	118.9	51%	0.509	63%	0.633	S	S	.	*			trans	-62.7	84.3	177.1	-176.2	0	0	0	0	108.2	K337	K337-V339 PolarHBondContact O-N 2.91Å
340	D	44.6	Very low	57.4	Low	106 Å²	106	113.9 Å²	113.9	57%	0.567	60%	0.602	S	S	*	*			trans	-120.4	106.1	163.1	-93	-32	0	0	0	105.1	T338 K386	T338-D340 PolarHBondContact O-N 3.27Å; D340-K386 IonicContact OD2-NZ 2.72Å; D340-K386 PolarHBondContact OD2-NZ 3.32Å
341	S	48.7	Very low	59.6	Low	121 Å²	121	110.8 Å²	110.8	85%	0.846	60%	0.601	S	S	*	*	S	Bend	trans	85.1	75.2	167.5	-144.4	0	0	0	0	118
342	K	53.8	Low	61.8	Low	181 Å²	181	111.8 Å²	111.8	79%	0.787	60%	0.597	S	S	*	*			trans	-135.6	131.5	137.9	-83.3	-172.8	176.6	179.7	0	107.2	A344	K342-A344 PolarHBondContact O-N 3.4Å
343	D	67.1	Low	64.1	Low	156 Å²	156	106.3 Å²	106.3	83%	0.834	56%	0.564	S	S	*	*			trans	-54.4	137	175.6	-62.8	-40.1	0	0	0	109.6	I345	D343-I345 PolarHBondContact O-N 2.92Å
344	A	75.1	Confident	66.8	Low	37 Å²	37	101.4 Å²	101.4	31%	0.306	54%	0.536	S	S	.	.			trans	-59.1	135.6	173.4	0	0	0	0	0	109.2	K342 H346 D356 W357	K342-A344 PolarHBondContact O-N 3.4Å; A344-H346 PolarHBondContact O-N 2.87Å; A344-D356 HydrophobicContact CB-CB 3.84Å; A344-W357 CarbonylContact C-O 3.34Å
345	I	85.9	Confident	69.1	Low	113 Å²	113	93.8 Å²	93.8	58%	0.579	50%	0.496	S	S	*	.	S	Bend	trans	-66.3	-36.2	176.5	-58.4	178.7	0	0	0	109.5	F321 D343 W357 H358	F321-I345 HydrophobicContact CE1-CG2 4.48Å; D343-I345 PolarHBondContact O-N 2.92Å; I345-W357 WeakPolarHBondContact CB-O 3.33Å; I345-W357 PolarHBondContact N-O 3.48Å; I345-H358 WeakPolarHBondContact CD1-O 3.5Å
346	H	87.3	Confident	71.8	Confident	29 Å²	29	90 Å²	90	13%	0.134	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	150.2	178.3	-176	72.5	0	0	0	110	E316 H320 F321 A344 W357	E316-H346 WeakPolarHBondContact CG-NE2 3.43Å; E316-H346 IonicContact OE1-CE1 2.68Å; E316-H346 PolarHBondContact OE1-CE1 3.19Å; E316-H346 IonicContact OE1-NE2 2.63Å; E316-H346 PolarHBondContact OE1-NE2 3.12Å; E316-H346 VanDerWaalsContact OE1-NE2 3.11Å; H320-H346 AromaticContact CD2-CE1 3.54Å; H320-H346 AromaticContact CD2-ND1 3.86Å; H320-H346 AromaticContact CD2-NE2 3.89Å; H320-H346 AromaticContact CE1-CE1 3.61Å; H320-H346 AromaticContact CE1-ND1 3.47Å; H320-H346 PolarHBondContact CE1-ND1 3.39Å; H320-H346 AromaticContact CG-ND1 3.99Å; H320-H346 AromaticContact ND1-ND1 3.75Å; H320-H346 AromaticContact NE2-CE1 3.21Å; H320-H346 PolarHBondContact NE2-CE1 2.89Å; H320-H346 AromaticContact NE2-ND1 3.56Å; H320-H346 AromaticContact NE2-NE2 3.98Å; F321-H346 HydrophobicContact CZ-CB 4.37Å; A344-H346 PolarHBondContact O-N 2.87Å; H346-W357 HydrophobicContact CB-CB 4.3Å; H346-W357 HydrophobicContact CB-CE3 4.37Å; H346-W357 AromaticContact CD2-CE3 3.57Å; H346-W357 AromaticContact CD2-CZ3 3.66Å; H346-W357 PolarHBondContact O-N 2.95Å
347	H	89.4	Confident	74.2	Confident	93 Å²	93	83.2 Å²	83.2	43%	0.431	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	126.5	-176.5	173.3	86.6	0	0	0	109.5	H354 V355 D356	H347-H354 VanDerWaalsContact CE1-CB 3.47Å; H347-H354 WeakPolarHBondContact CE1-CB 3.43Å; H347-H354 AromaticContact CE1-CD2 3.47Å; H347-H354 PolarHBondContact CE1-CD2 3.01Å; H347-H354 VanDerWaalsContact CE1-CD2 3.47Å; H347-H354 AromaticContact CE1-CG 3.68Å; H347-H354 AromaticContact ND1-CD2 3.92Å; H347-V355 WeakPolarHBondContact CA-O 3.5Å; H347-D356 IonicContact CE1-OD1 2.68Å; H347-D356 IonicContact CG-OD1 3.75Å; H347-D356 IonicContact ND1-OD1 3.17Å; H347-D356 PolarHBondContact ND1-OD1 2.84Å
348	L	90.8	Very high	76.5	Confident	30 Å²	30	76.5 Å²	76.5	16%	0.157	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.4	173.7	179.1	64.6	0	0	0	109.3	I313 E316 L350 H354 V355 W357	I313-L348 HydrophobicContact CG1-CD2 4.22Å; E316-L348 HydrophobicContact CB-CD2 4.09Å; E316-L348 HydrophobicContact CG-CD1 4.28Å; E316-L348 HydrophobicContact CG-CD2 4.41Å; L348-L350 HydrophobicContact CD2-CD2 3.97Å; L348-L350 HydrophobicContact CG-CD2 4.2Å; L348-H354 CarbonylContact O-C 3.42Å; L348-H354 VanDerWaalsContact O-CA 3.3Å; L348-H354 WeakPolarHBondContact O-CA 3.35Å; L348-H354 WeakPolarHBondContact O-CB 3.47Å; L348-V355 HydrophobicContact CB-CB 4.48Å; L348-V355 PolarHBondContact N-O 3.17Å; L348-V355 PolarHBondContact O-N 3.29Å; L348-W357 HydrophobicContact CB-CH2 3.83Å; L348-W357 HydrophobicContact CB-CZ3 3.55Å; L348-W357 HydrophobicContact CD2-CH2 4.13Å
349	K	88.6	Confident	78.6	Confident	114 Å²	114	73.2 Å²	73.2	50%	0.496	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	119.8	174.5	-173	60.4	-179.6	171	0	110.2	H354 D368	K349-H354 HydrophobicContact CD-CB 4.03Å; K349-D368 IonicContact NZ-OD1 2.86Å; K349-D368 PolarHBondContact NZ-OD1 3.27Å; K349-D368 IonicContact NZ-OD2 2.6Å; K349-D368 PolarHBondContact NZ-OD2 3.43Å
350	L	88.1	Confident	80.3	Confident	15 Å²	15	70.5 Å²	70.5	8%	0.079	37%	0.367	C	S	.	.			trans	-100.5	179.5	172.6	-59.6	173.8	0	0	0	110.1	E309 L312 I313 L348 R352 T353 V355 L365	E309-L350 HydrophobicContact CB-CD1 4.2Å; E309-L350 HydrophobicContact CG-CD1 4.27Å; L312-L350 HydrophobicContact CB-CD2 4.26Å; L312-L350 HydrophobicContact CD1-CD2 3.96Å; I313-L350 HydrophobicContact CD1-CD1 4.24Å; I313-L350 HydrophobicContact CG1-CD1 4.39Å; L348-L350 HydrophobicContact CD2-CD2 3.97Å; L348-L350 HydrophobicContact CG-CD2 4.2Å; L350-R352 PolarHBondContact O-N 2.69Å; L350-T353 CarbonylContact C-O 3.57Å; L350-T353 WeakPolarHBondContact CA-O 3.44Å; L350-T353 WeakPolarHBondContact CB-O 3.27Å; L350-T353 WeakPolarHBondContact CB-OG1 3.4Å; L350-T353 WeakPolarHBondContact CD1-OG1 3.38Å; L350-T353 PolarHBondContact N-O 3.45Å; L350-V355 HydrophobicContact CD1-CG2 3.94Å; L350-L365 HydrophobicContact CD1-CD1 4.23Å
351	S	82	Confident	82.1	Confident	105 Å²	105	67.5 Å²	67.5	73%	0.734	35%	0.35	S	S	*	.	S	Bend	trans	-62.3	-41	-172.6	66.5	0	0	0	0	113.9
352	R	81.3	Confident	83.9	Confident	197 Å²	197	65.6 Å²	65.6	74%	0.743	33%	0.328	S	S	*	.	S	Bend	trans	-132	1	-178.5	-62.6	-177.8	176.8	179.5	1.9	113.6	L350 D368	L350-R352 PolarHBondContact O-N 2.69Å; R352-D368 VanDerWaalsContact C-OD2 3.29Å; R352-D368 WeakPolarHBondContact O-CB 3.36Å; R352-D368 PolarHBondContact O-N 3.1Å
353	T	87.2	Confident	85.7	Confident	17 Å²	17	57 Å²	57	10%	0.104	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	172.1	-173.4	56.7	0	0	0	0	108.9	E309 L350 L365 Y366	E309-T353 PolarHBondContact OE1-OG1 3.37Å; L350-T353 CarbonylContact C-O 3.57Å; L350-T353 WeakPolarHBondContact CA-O 3.44Å; L350-T353 WeakPolarHBondContact CB-O 3.27Å; L350-T353 WeakPolarHBondContact CB-OG1 3.4Å; L350-T353 WeakPolarHBondContact CD1-OG1 3.38Å; L350-T353 PolarHBondContact N-O 3.45Å; T353-L365 HydrophobicContact CG2-CD1 4.33Å; T353-Y366 CarbonylContact C-O 3.09Å; T353-Y366 WeakPolarHBondContact CA-O 3.46Å; T353-Y366 VanDerWaalsContact CB-O 3.28Å; T353-Y366 WeakPolarHBondContact CB-O 3.47Å
354	H	89	Confident	86.7	Confident	40 Å²	40	51.1 Å²	51.1	19%	0.185	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	153.7	167.7	59.1	-83.9	0	0	0	110	H347 L348 K349 D356 Y366 D368	H347-H354 VanDerWaalsContact CE1-CB 3.47Å; H347-H354 WeakPolarHBondContact CE1-CB 3.43Å; H347-H354 AromaticContact CE1-CD2 3.47Å; H347-H354 PolarHBondContact CE1-CD2 3.01Å; H347-H354 VanDerWaalsContact CE1-CD2 3.47Å; H347-H354 AromaticContact CE1-CG 3.68Å; H347-H354 AromaticContact ND1-CD2 3.92Å; L348-H354 CarbonylContact O-C 3.42Å; L348-H354 VanDerWaalsContact O-CA 3.3Å; L348-H354 WeakPolarHBondContact O-CA 3.35Å; L348-H354 WeakPolarHBondContact O-CB 3.47Å; K349-H354 HydrophobicContact CD-CB 4.03Å; H354-D356 IonicContact CD2-OD1 3.62Å; H354-Y366 AromaticContact CD2-CD2 3.92Å; H354-Y366 WeakPolarHBondContact CE1-CB 3.49Å; H354-Y366 PolarHBondContact N-O 2.93Å; H354-Y366 VanDerWaalsContact NE2-CB 3.27Å; H354-Y366 WeakPolarHBondContact NE2-CB 3.21Å; H354-Y366 AromaticContact NE2-CD2 3.82Å; H354-Y366 AromaticContact NE2-CG 3.56Å; H354-Y366 PolarHBondContact O-N 3.32Å; H354-D368 IonicContact CE1-OD1 2.85Å; H354-D368 IonicContact ND1-OD1 3.32Å; H354-D368 PolarHBondContact ND1-OD1 2.57Å
355	V	91.4	Very high	87.4	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.4	-178.6	-177	0	0	0	0	109.3	I313 H347 L348 L350 W357 V363 Y364 L365	I313-V355 HydrophobicContact CD1-CG2 3.77Å; I313-V355 HydrophobicContact CG1-CG2 3.96Å; H347-V355 WeakPolarHBondContact CA-O 3.5Å; L348-V355 HydrophobicContact CB-CB 4.48Å; L348-V355 PolarHBondContact N-O 3.17Å; L348-V355 PolarHBondContact O-N 3.29Å; L350-V355 HydrophobicContact CD1-CG2 3.94Å; V355-W357 HydrophobicContact CB-CE3 4.42Å; V355-W357 HydrophobicContact CB-CH2 3.89Å; V355-W357 HydrophobicContact CB-CZ3 3.71Å; V355-W357 HydrophobicContact CG1-CD2 4.26Å; V355-W357 HydrophobicContact CG1-CE3 3.88Å; V355-W357 HydrophobicContact CG1-CH2 3.54Å; V355-W357 HydrophobicContact CG1-CZ2 3.92Å; V355-W357 HydrophobicContact CG1-CZ3 3.5Å; V355-W357 WeakPolarHBondContact O-CZ3 3.31Å; V355-V363 HydrophobicContact CG1-CG1 3.38Å; V355-Y364 CarbonylContact C-O 3.59Å; V355-Y364 VanDerWaalsContact CA-O 3.3Å; V355-Y364 WeakPolarHBondContact CA-O 3.16Å; V355-L365 HydrophobicContact CG2-CD1 3.48Å; V355-L365 VanDerWaalsContact CG2-CD1 3.48Å
356	D	89.9	Confident	87.4	Confident	26 Å²	26	47.1 Å²	47.1	14%	0.139	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	131.3	175.2	-68.9	-4.7	0	0	0	109.8	A344 H347 H354 Y364 Y366	A344-D356 HydrophobicContact CB-CB 3.84Å; H347-D356 IonicContact CE1-OD1 2.68Å; H347-D356 IonicContact CG-OD1 3.75Å; H347-D356 IonicContact ND1-OD1 3.17Å; H347-D356 PolarHBondContact ND1-OD1 2.84Å; H354-D356 IonicContact CD2-OD1 3.62Å; D356-Y364 PolarHBondContact N-O 3.33Å; D356-Y364 PolarHBondContact O-N 3.4Å; D356-Y366 HydrophobicContact CB-CE2 3.95Å
357	W	91.6	Very high	87.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	118.4	170.3	-72.5	-103.7	0	0	0	109.1	I313 H317 F321 A344 I345 H346 L348 V355 V363	I313-W357 HydrophobicContact CG2-CH2 4.21Å; I313-W357 HydrophobicContact CG2-CZ2 3.76Å; H317-W357 HydrophobicContact CB-CZ2 4.38Å; H317-W357 AromaticContact ND1-CD1 3.77Å; H317-W357 AromaticContact ND1-NE1 3.18Å; H317-W357 PolarHBondContact ND1-NE1 3.43Å; H317-W357 VanDerWaalsContact ND1-NE1 3.18Å; F321-W357 HydrophobicContact CE2-CB 4.27Å; F321-W357 AromaticContact CE2-CD1 3.61Å; F321-W357 HydrophobicContact CE2-CD2 4.45Å; F321-W357 AromaticContact CE2-CG 3.86Å; F321-W357 HydrophobicContact CE2-CG 3.86Å; F321-W357 HydrophobicContact CZ-CB 4.06Å; F321-W357 HydrophobicContact CZ-CG 4.16Å; A344-W357 CarbonylContact C-O 3.34Å; I345-W357 WeakPolarHBondContact CB-O 3.33Å; I345-W357 PolarHBondContact N-O 3.48Å; H346-W357 HydrophobicContact CB-CB 4.3Å; H346-W357 HydrophobicContact CB-CE3 4.37Å; H346-W357 AromaticContact CD2-CE3 3.57Å; H346-W357 AromaticContact CD2-CZ3 3.66Å; H346-W357 PolarHBondContact O-N 2.95Å; L348-W357 HydrophobicContact CB-CH2 3.83Å; L348-W357 HydrophobicContact CB-CZ3 3.55Å; L348-W357 HydrophobicContact CD2-CH2 4.13Å; V355-W357 HydrophobicContact CB-CE3 4.42Å; V355-W357 HydrophobicContact CB-CH2 3.89Å; V355-W357 HydrophobicContact CB-CZ3 3.71Å; V355-W357 HydrophobicContact CG1-CD2 4.26Å; V355-W357 HydrophobicContact CG1-CE3 3.88Å; V355-W357 HydrophobicContact CG1-CH2 3.54Å; V355-W357 HydrophobicContact CG1-CZ2 3.92Å; V355-W357 HydrophobicContact CG1-CZ3 3.5Å; V355-W357 WeakPolarHBondContact O-CZ3 3.31Å; W357-V363 HydrophobicContact CD2-CG1 4.09Å; W357-V363 HydrophobicContact CG-CG1 4.27Å; W357-V363 HydrophobicContact CG-CG2 4.19Å; W357-V363 HydrophobicContact CZ2-CG1 4.22Å
358	H	86.1	Confident	86.2	Confident	36 Å²	36	47.6 Å²	47.6	17%	0.167	24%	0.241	C	C	.	.	S	Bend	trans	-96.4	-20.8	171.2	-65.5	-62.4	0	0	0	112.5	I345 E362 Y364	I345-H358 WeakPolarHBondContact CD1-O 3.5Å; H358-E362 HydrophobicContact CB-CB 4.21Å; H358-E362 PolarHBondContact N-O 3.05Å; H358-Y364 AromaticContact CD2-CD2 3.58Å; H358-Y364 AromaticContact CD2-CE2 3.93Å
359	S	85.1	Confident	84.5	Confident	38 Å²	38	50.1 Å²	50.1	27%	0.266	27%	0.266	S	S	.	.	S	Bend	trans	-157.3	-178.1	166.5	74.6	0	0	0	0	109.3	E361 E362	S359-E361 PolarHBondContact O-N 3.02Å; S359-E361 PolarHBondContact OG-N 3.11Å; S359-E362 PolarHBondContact N-O 3.15Å; S359-E362 PolarHBondContact O-N 3.36Å; S359-E362 VanDerWaalsContact OG-CB 3.26Å; S359-E362 WeakPolarHBondContact OG-CB 3.44Å; S359-E362 WeakPolarHBondContact OG-CG 3.16Å; S359-E362 PolarHBondContact OG-N 3.47Å
360	V	84.3	Confident	82.9	Confident	26 Å²	26	47.3 Å²	47.3	16%	0.158	26%	0.259	C	S	.	.	S	Bend	trans	-58.1	-33.5	175.2	-176.4	0	0	0	0	111.8	V130 H317 F321 L326	V130-V360 HydrophobicContact CG2-CG1 3.41Å; V130-V360 VanDerWaalsContact CG2-CG1 3.41Å; H317-V360 PolarHBondContact CE1-O 2.98Å; F321-V360 HydrophobicContact CB-CG1 4.5Å; F321-V360 HydrophobicContact CD1-CG2 3.83Å; F321-V360 HydrophobicContact CE1-CG2 4.41Å; F321-V360 HydrophobicContact CG-CG2 4.45Å; L326-V360 HydrophobicContact CD2-CB 4.39Å; L326-V360 HydrophobicContact CD2-CG1 3.55Å
361	E	81.7	Confident	80.9	Confident	44 Å²	44	51.9 Å²	51.9	21%	0.206	29%	0.287	C	S	.	.	S	Bend	trans	-107.2	-8.5	-178	-65.5	-167.8	-148.5	0	0	114.5	R123 R125 L326 S359 R393	R123-E361 IonicContact CZ-OE2 3.68Å; R123-E361 IonicContact NH1-OE2 2.95Å; R123-E361 PolarHBondContact NH1-OE2 3.43Å; R123-E361 IonicContact NH2-OE2 3.95Å; R125-E361 IonicContact CZ-OE1 3.47Å; R125-E361 IonicContact CZ-OE2 3.46Å; R125-E361 VanDerWaalsContact NH1-CD 3.33Å; R125-E361 IonicContact NH1-OE1 3.61Å; R125-E361 PolarHBondContact NH1-OE1 3.5Å; R125-E361 IonicContact NH1-OE2 2.97Å; R125-E361 IonicContact NH2-OE1 2.88Å; R125-E361 PolarHBondContact NH2-OE1 2.88Å; R125-E361 IonicContact NH2-OE2 3.83Å; R125-E361 PolarHBondContact NH2-OE2 3.28Å; L326-E361 HydrophobicContact CD2-CG 3.75Å; S359-E361 PolarHBondContact O-N 3.02Å; S359-E361 PolarHBondContact OG-N 3.11Å; E361-R393 PolarHBondContact O-NH2 2.84Å
362	E	87.2	Confident	79.3	Confident	80 Å²	80	50.5 Å²	50.5	37%	0.374	28%	0.277	S	S	.	.			trans	-107.2	88.2	-178.7	-66.1	-168.5	144.5	0	0	109.6	H358 S359 Y364 R393	H358-E362 HydrophobicContact CB-CB 4.21Å; H358-E362 PolarHBondContact N-O 3.05Å; S359-E362 PolarHBondContact N-O 3.15Å; S359-E362 PolarHBondContact O-N 3.36Å; S359-E362 VanDerWaalsContact OG-CB 3.26Å; S359-E362 WeakPolarHBondContact OG-CB 3.44Å; S359-E362 WeakPolarHBondContact OG-CG 3.16Å; S359-E362 PolarHBondContact OG-N 3.47Å; E362-Y364 HydrophobicContact CB-CE2 4.19Å; E362-R393 IonicContact OE1-NH1 2.67Å
363	V	90.1	Very high	77.7	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.2	-177.5	-168.5	0	0	0	0	109.1	W296 V355 W357 L394	W296-V363 HydrophobicContact CH2-CG2 4.01Å; W296-V363 HydrophobicContact CZ3-CB 3.98Å; W296-V363 HydrophobicContact CZ3-CG1 4.04Å; W296-V363 HydrophobicContact CZ3-CG2 3.81Å; V355-V363 HydrophobicContact CG1-CG1 3.38Å; W357-V363 HydrophobicContact CD2-CG1 4.09Å; W357-V363 HydrophobicContact CG-CG1 4.27Å; W357-V363 HydrophobicContact CG-CG2 4.19Å; W357-V363 HydrophobicContact CZ2-CG1 4.22Å; V363-L394 HydrophobicContact CB-CB 4.45Å; V363-L394 HydrophobicContact CG1-CD1 4.35Å; V363-L394 PolarHBondContact O-N 2.78Å
364	Y	89.8	Confident	75.8	Confident	31 Å²	31	55 Å²	55	12%	0.122	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130.7	-175.1	-71.6	-96.3	0	0	0	111.5	V355 D356 H358 E362 G391 T392 R393	V355-Y364 CarbonylContact C-O 3.59Å; V355-Y364 VanDerWaalsContact CA-O 3.3Å; V355-Y364 WeakPolarHBondContact CA-O 3.16Å; D356-Y364 PolarHBondContact N-O 3.33Å; D356-Y364 PolarHBondContact O-N 3.4Å; H358-Y364 AromaticContact CD2-CD2 3.58Å; H358-Y364 AromaticContact CD2-CE2 3.93Å; E362-Y364 HydrophobicContact CB-CE2 4.19Å; Y364-G391 WeakPolarHBondContact CD1-O 3.5Å; Y364-T392 CarbonylContact C-O 3.51Å; Y364-T392 WeakPolarHBondContact CA-O 3.34Å; Y364-R393 HydrophobicContact CD1-CB 4.07Å; Y364-R393 HydrophobicContact CE1-CB 3.75Å; Y364-R393 HydrophobicContact CE1-CG 4.28Å
365	L	88.6	Confident	73.9	Confident	20 Å²	20	54.9 Å²	54.9	11%	0.105	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	129.7	173.6	-177.1	70.9	0	0	0	110.4	L305 L350 T353 V355 G391 T392 L394	L305-L365 HydrophobicContact CD2-CD2 3.89Å; L350-L365 HydrophobicContact CD1-CD1 4.23Å; T353-L365 HydrophobicContact CG2-CD1 4.33Å; V355-L365 HydrophobicContact CG2-CD1 3.48Å; V355-L365 VanDerWaalsContact CG2-CD1 3.48Å; L365-G391 CarbonylContact O-C 3.44Å; L365-G391 WeakPolarHBondContact O-CA 3.36Å; L365-T392 PolarHBondContact N-O 3.47Å; L365-T392 PolarHBondContact O-N 3Å; L365-L394 HydrophobicContact CB-CD1 4.01Å; L365-L394 HydrophobicContact CB-CD2 4.11Å; L365-L394 HydrophobicContact CB-CG 4.1Å
366	Y	85.2	Confident	72	Confident	46 Å²	46	61.2 Å²	61.2	18%	0.18	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.7	178.2	-65.2	-97.6	0	0	0	109.7	T353 H354 D356 G391	T353-Y366 CarbonylContact C-O 3.09Å; T353-Y366 WeakPolarHBondContact CA-O 3.46Å; T353-Y366 VanDerWaalsContact CB-O 3.28Å; T353-Y366 WeakPolarHBondContact CB-O 3.47Å; H354-Y366 AromaticContact CD2-CD2 3.92Å; H354-Y366 WeakPolarHBondContact CE1-CB 3.49Å; H354-Y366 PolarHBondContact N-O 2.93Å; H354-Y366 VanDerWaalsContact NE2-CB 3.27Å; H354-Y366 WeakPolarHBondContact NE2-CB 3.21Å; H354-Y366 AromaticContact NE2-CD2 3.82Å; H354-Y366 AromaticContact NE2-CG 3.56Å; H354-Y366 PolarHBondContact O-N 3.32Å; D356-Y366 HydrophobicContact CB-CE2 3.95Å; Y366-G391 VanDerWaalsContact CD1-CA 3.46Å
367	S	82.3	Confident	70.1	Confident	77 Å²	77	64.4 Å²	64.4	54%	0.538	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	136.7	174.5	-176.7	0	0	0	0	111.2	A369	S367-A369 PolarHBondContact O-N 3.33Å; S367-A369 WeakPolarHBondContact OG-CB 3.5Å; S367-A369 PolarHBondContact OG-N 3.38Å
368	D	69.3	Low	68.1	Low	56 Å²	56	68.9 Å²	68.9	30%	0.299	38%	0.384	S	S	.	.	S	Bend	trans	-75.5	-7.6	175.3	-59.7	-30.1	0	0	0	112.5	K349 R352 H354 T370	K349-D368 IonicContact NZ-OD1 2.86Å; K349-D368 PolarHBondContact NZ-OD1 3.27Å; K349-D368 IonicContact NZ-OD2 2.6Å; K349-D368 PolarHBondContact NZ-OD2 3.43Å; R352-D368 VanDerWaalsContact C-OD2 3.29Å; R352-D368 WeakPolarHBondContact O-CB 3.36Å; R352-D368 PolarHBondContact O-N 3.1Å; H354-D368 IonicContact CE1-OD1 2.85Å; H354-D368 IonicContact ND1-OD1 3.32Å; H354-D368 PolarHBondContact ND1-OD1 2.57Å; D368-T370 VanDerWaalsContact C-N 3.27Å; D368-T370 PolarHBondContact O-N 3.08Å; D368-T370 VanDerWaalsContact O-N 3.1Å
369	A	56.6	Low	66.3	Low	82 Å²	82	69.9 Å²	69.9	68%	0.678	39%	0.393	S	S	*	.			trans	-78.5	14.2	-167.5	0	0	0	0	0	116	S367	S367-A369 PolarHBondContact O-N 3.33Å; S367-A369 WeakPolarHBondContact OG-CB 3.5Å; S367-A369 PolarHBondContact OG-N 3.38Å
370	T	53.9	Low	64.6	Low	56 Å²	56	74.8 Å²	74.8	34%	0.344	41%	0.412	S	S	.	.			trans	-133.3	62.3	172.4	-26.9	0	0	0	0	113.6	D368 A375 R376	D368-T370 VanDerWaalsContact C-N 3.27Å; D368-T370 PolarHBondContact O-N 3.08Å; D368-T370 VanDerWaalsContact O-N 3.1Å; T370-A375 HydrophobicContact CG2-CB 4.01Å; T370-R376 PolarHBondContact O-NH2 3.31Å
371	T	46.7	Very low	62.7	Low	110 Å²	110	82.5 Å²	82.5	68%	0.675	44%	0.443	S	S	*	.			trans	-84.5	-8.5	171.3	54.7	0	0	0	0	113.8	K373	T371-K373 PolarHBondContact O-N 2.87Å
372	S	47.7	Very low	61.3	Low	76 Å²	76	86.7 Å²	86.7	53%	0.531	47%	0.466	S	S	.	.			trans	-76.6	112.8	-175.8	-77.6	0	0	0	0	112.1	I374 A375	S372-I374 PolarHBondContact O-N 2.97Å; S372-A375 PolarHBondContact O-N 2.88Å; S372-A375 VanDerWaalsContact O-N 3.07Å
373	K	47.8	Very low	59	Low	172 Å²	172	85.8 Å²	85.8	75%	0.748	48%	0.478	S	S	*	.	H	α-helix	trans	-51.8	-23	176.2	-71.8	179.5	177.6	172.6	0	114.3	T371 T377	T371-K373 PolarHBondContact O-N 2.87Å; K373-T377 PolarHBondContact O-OG1 2.84Å
374	I	48.6	Very low	56.9	Low	136 Å²	136	92 Å²	92	70%	0.697	51%	0.505	S	S	*	.	H	α-helix	trans	-75	-40.6	-179.5	-61.9	171.1	0	0	0	111.1	S372 R376 T377 V378	S372-I374 PolarHBondContact O-N 2.97Å; I374-R376 VanDerWaalsContact C-N 3.29Å; I374-R376 PolarHBondContact O-N 3.44Å; I374-T377 PolarHBondContact O-N 2.69Å; I374-V378 PolarHBondContact O-N 3.27Å
375	A	47.7	Very low	54.6	Low	39 Å²	39	95.9 Å²	95.9	32%	0.322	54%	0.537	S	S	.	.	H	α-helix	trans	-65.9	-31.7	178.6	0	0	0	0	0	112.5	T370 S372 T379	T370-A375 HydrophobicContact CG2-CB 4.01Å; S372-A375 PolarHBondContact O-N 2.88Å; S372-A375 VanDerWaalsContact O-N 3.07Å; A375-T379 PolarHBondContact O-N 2.82Å; A375-T379 PolarHBondContact O-OG1 2.92Å
376	R	51.9	Low	52.3	Low	132 Å²	132	100.4 Å²	100.4	50%	0.498	56%	0.556	S	S	.	*	H	α-helix	trans	-67.4	-34.7	175.8	-64.8	-177.1	-168.8	164.5	3.4	113.1	T370 I374 Q380	T370-R376 PolarHBondContact O-NH2 3.31Å; I374-R376 VanDerWaalsContact C-N 3.29Å; I374-R376 PolarHBondContact O-N 3.44Å; R376-Q380 WeakPolarHBondContact O-CB 3.5Å; R376-Q380 WeakPolarHBondContact O-CG 3.24Å; R376-Q380 PolarHBondContact O-N 3.12Å
377	T	50.6	Low	50.3	Low	93 Å²	93	102.1 Å²	102.1	57%	0.571	58%	0.579	S	S	*	*	H	α-helix	trans	-78.5	-34.7	-176.8	-50.6	0	0	0	0	112.1	K373 I374	K373-T377 PolarHBondContact O-OG1 2.84Å; I374-T377 PolarHBondContact O-N 2.69Å
378	V	48.2	Very low	48.3	Very low	94 Å²	94	102.1 Å²	102.1	57%	0.57	58%	0.579	S	S	*	*	H	α-helix	trans	-79.1	-37.4	-177	179.6	0	0	0	0	111.7	I374 K381 L382	I374-V378 PolarHBondContact O-N 3.27Å; V378-K381 PolarHBondContact O-N 2.99Å; V378-L382 PolarHBondContact O-N 3.4Å
379	T	48.4	Very low	47.3	Very low	58 Å²	58	103 Å²	103	36%	0.356	59%	0.59	S	S	.	*	H	α-helix	trans	-72.7	-36.5	177.4	47.4	0	0	0	0	113.1	A375 K381 L382	A375-T379 PolarHBondContact O-N 2.82Å; A375-T379 PolarHBondContact O-OG1 2.92Å; T379-K381 VanDerWaalsContact C-N 3.27Å; T379-K381 PolarHBondContact O-N 2.76Å; T379-L382 PolarHBondContact O-N 3.01Å
380	Q	49.3	Very low	47.5	Very low	141 Å²	141	103 Å²	103	66%	0.659	59%	0.585	S	S	*	*	H	α-helix	trans	-63.9	-30	173.5	-82.6	-169.1	-18.1	0	0	113.4	R376	R376-Q380 WeakPolarHBondContact O-CB 3.5Å; R376-Q380 WeakPolarHBondContact O-CG 3.24Å; R376-Q380 PolarHBondContact O-N 3.12Å
381	K	45.3	Very low	48.5	Very low	188 Å²	188	100.8 Å²	100.8	82%	0.817	57%	0.574	S	S	*	*	H	α-helix	trans	-83.2	-12.6	-178.8	-135.7	176.6	-175.7	-178.9	0	113.5	V378 T379	V378-K381 PolarHBondContact O-N 2.99Å; T379-K381 VanDerWaalsContact C-N 3.27Å; T379-K381 PolarHBondContact O-N 2.76Å
382	L	51.5	Low	50.4	Low	131 Å²	131	98.8 Å²	98.8	69%	0.686	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	5.5	176.9	-123.5	80.6	0	0	0	113.8	V378 T379 F384	V378-L382 PolarHBondContact O-N 3.4Å; T379-L382 PolarHBondContact O-N 3.01Å; L382-F384 HydrophobicContact CB-CD2 4.08Å; L382-F384 HydrophobicContact CB-CE2 4.24Å; L382-F384 HydrophobicContact CD2-CE2 4.06Å
383	G	40.4	Very low	52.4	Low	62 Å²	62	98.5 Å²	98.5	64%	0.639	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	3.7	175.3	0	0	0	0	0	115.5	S385	G383-S385 PolarHBondContact O-N 3.33Å; G383-S385 VanDerWaalsContact O-N 3.15Å
384	F	44.7	Very low	54.5	Low	131 Å²	131	90.4 Å²	90.4	58%	0.575	51%	0.513	S	S	*	.			trans	-77.7	98.2	168.4	-61	-72.1	0	0	0	109.2	L382 K386	L382-F384 HydrophobicContact CB-CD2 4.08Å; L382-F384 HydrophobicContact CB-CE2 4.24Å; L382-F384 HydrophobicContact CD2-CE2 4.06Å; F384-K386 PolarHBondContact O-N 2.94Å
385	S	41.2	Very low	56.6	Low	113 Å²	113	85.2 Å²	85.2	79%	0.79	49%	0.486	S	S	*	.			trans	-64.3	120.1	174.3	-64.5	0	0	0	0	110.1	G383 A387	G383-S385 PolarHBondContact O-N 3.33Å; G383-S385 VanDerWaalsContact O-N 3.15Å; S385-A387 VanDerWaalsContact C-N 3.31Å; S385-A387 PolarHBondContact O-N 2.89Å
386	K	41.8	Very low	58.7	Low	116 Å²	116	86.5 Å²	86.5	50%	0.504	48%	0.482	S	S	.	.	S	Bend	trans	52.3	18.9	155.1	-83.2	-174.3	172.8	-178.3	0	119.7	D340 F384 S388 S389	D340-K386 IonicContact OD2-NZ 2.72Å; D340-K386 PolarHBondContact OD2-NZ 3.32Å; F384-K386 PolarHBondContact O-N 2.94Å; K386-S388 VanDerWaalsContact C-N 3.27Å; K386-S388 PolarHBondContact O-N 3.25Å; K386-S388 VanDerWaalsContact O-N 3.17Å; K386-S389 PolarHBondContact O-N 3.23Å; K386-S389 PolarHBondContact O-OG 3.12Å
387	A	43.3	Very low	60.6	Low	81 Å²	81	80.4 Å²	80.4	67%	0.669	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-12	-175.6	0	0	0	0	0	115.9	S385	S385-A387 VanDerWaalsContact C-N 3.31Å; S385-A387 PolarHBondContact O-N 2.89Å
388	S	40.6	Very low	62.7	Low	77 Å²	77	78 Å²	78	54%	0.538	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	4.5	176.1	-47.6	0	0	0	0	114.2	K386	K386-S388 VanDerWaalsContact C-N 3.27Å; K386-S388 PolarHBondContact O-N 3.25Å; K386-S388 VanDerWaalsContact O-N 3.17Å
389	S	46.3	Very low	64.8	Low	75 Å²	75	77.1 Å²	77.1	52%	0.524	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-1.2	176.5	66.2	0	0	0	0	113.8	K386	K386-S389 PolarHBondContact O-N 3.23Å; K386-S389 PolarHBondContact O-OG 3.12Å
390	S	61	Low	66.8	Low	83 Å²	83	80.9 Å²	80.9	58%	0.58	45%	0.45	S	S	*	.	S	Bend	trans	-98.1	112.8	173.3	-170.9	0	0	0	0	106.3
391	G	75.2	Confident	68.7	Low	9 Å²	9	80 Å²	80	9%	0.093	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-57	157.5	176.6	0	0	0	0	0	111.1	Y364 L365 Y366	Y364-G391 WeakPolarHBondContact CD1-O 3.5Å; L365-G391 CarbonylContact O-C 3.44Å; L365-G391 WeakPolarHBondContact O-CA 3.36Å; Y366-G391 VanDerWaalsContact CD1-CA 3.46Å
392	T	87.7	Confident	70.8	Confident	67 Å²	67	71.2 Å²	71.2	41%	0.411	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	119.9	172.2	-58.7	0	0	0	0	108.5	I298 Y364 L365	I298-T392 HydrophobicContact CB-CG2 4.47Å; I298-T392 HydrophobicContact CG1-CG2 4.4Å; I298-T392 HydrophobicContact CG2-CG2 3.6Å; Y364-T392 CarbonylContact C-O 3.51Å; Y364-T392 WeakPolarHBondContact CA-O 3.34Å; L365-T392 PolarHBondContact N-O 3.47Å; L365-T392 PolarHBondContact O-N 3Å
393	R	88.9	Confident	72.6	Confident	70 Å²	70	66.5 Å²	66.5	26%	0.264	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	138.9	177.1	-174.7	174	-177.6	135.6	3.6	110.3	D299 E361 E362 Y364	D299-R393 HydrophobicContact CB-CB 3.82Å; D299-R393 HydrophobicContact CB-CG 4.18Å; D299-R393 VanDerWaalsContact CB-O 3.27Å; D299-R393 WeakPolarHBondContact CB-O 3.42Å; D299-R393 PolarHBondContact N-O 3.09Å; D299-R393 WeakPolarHBondContact OD2-CD 3.43Å; E361-R393 PolarHBondContact O-NH2 2.84Å; E362-R393 IonicContact OE1-NH1 2.67Å; Y364-R393 HydrophobicContact CD1-CB 4.07Å; Y364-R393 HydrophobicContact CE1-CB 3.75Å; Y364-R393 HydrophobicContact CE1-CG 4.28Å
394	L	91.8	Very high	74.7	Confident	2 Å²	2	67.7 Å²	67.7	1%	0.01	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	149.6	176.1	-57.6	-178.9	0	0	0	111.4	W296 F297 I298 L305 I313 V363 L365	W296-L394 HydrophobicContact CE3-CB 4.01Å; W296-L394 HydrophobicContact CE3-CD1 4.41Å; W296-L394 HydrophobicContact CZ3-CB 4.46Å; F297-L394 CarbonylContact O-C 3.58Å; F297-L394 VanDerWaalsContact O-CA 3.26Å; F297-L394 WeakPolarHBondContact O-CA 3.26Å; I298-L394 HydrophobicContact CG1-CD2 4.37Å; L305-L394 HydrophobicContact CD1-CD1 3.73Å; L305-L394 HydrophobicContact CD1-CD2 3.9Å; L305-L394 HydrophobicContact CD1-CG 4.46Å; L305-L394 HydrophobicContact CD2-CD2 4.15Å; L305-L394 HydrophobicContact CG-CD2 4.3Å; I313-L394 HydrophobicContact CD1-CD1 4.31Å; V363-L394 HydrophobicContact CB-CB 4.45Å; V363-L394 HydrophobicContact CG1-CD1 4.35Å; V363-L394 PolarHBondContact O-N 2.78Å; L365-L394 HydrophobicContact CB-CD1 4.01Å; L365-L394 HydrophobicContact CB-CD2 4.11Å; L365-L394 HydrophobicContact CB-CG 4.1Å
395	H	92.5	Very high	76.5	Confident	28 Å²	28	69.7 Å²	69.7	13%	0.13	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	138.1	168.2	-68.7	-80.3	0	0	0	110.6	W296 F297 D299 W302	W296-H395 WeakPolarHBondContact CA-O 3.36Å; F297-H395 PolarHBondContact N-O 3.06Å; F297-H395 PolarHBondContact O-N 2.86Å; D299-H395 IonicContact OD1-CD2 2.7Å; D299-H395 PolarHBondContact OD1-CD2 3.34Å; D299-H395 IonicContact OD1-CE1 2.76Å; D299-H395 IonicContact OD1-NE2 3.44Å; D299-H395 PolarHBondContact OD1-NE2 3.03Å; D299-H395 IonicContact OD2-NE2 2.67Å; W302-H395 HydrophobicContact CE3-CB 4.49Å; W302-H395 HydrophobicContact CH2-CB 3.66Å; W302-H395 AromaticContact CH2-CD2 3.66Å; W302-H395 AromaticContact CH2-CG 3.5Å; W302-H395 AromaticContact CH2-ND1 3.99Å; W302-H395 AromaticContact CZ2-CD2 3.87Å; W302-H395 HydrophobicContact CZ3-CB 3.55Å; W302-H395 AromaticContact CZ3-CG 3.91Å
396	R	92.8	Very high	78.3	Confident	65 Å²	65	67.8 Å²	67.8	25%	0.245	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	125.3	172.1	-171.4	178.7	177	-98.4	5.4	109.4	T131 L133 W296 E314	T131-R396 PolarHBondContact O-NH1 3.09Å; T131-R396 PolarHBondContact O-NH2 3.43Å; L133-R396 HydrophobicContact CD1-CG 4.43Å; L133-R396 HydrophobicContact CD2-CG 4.12Å; W296-R396 HydrophobicContact CD2-CB 4.29Å; W296-R396 HydrophobicContact CD2-CG 4.4Å; W296-R396 HydrophobicContact CE3-CB 4.03Å; W296-R396 HydrophobicContact CH2-CB 3.7Å; W296-R396 HydrophobicContact CH2-CG 3.99Å; W296-R396 HydrophobicContact CZ2-CB 3.94Å; W296-R396 HydrophobicContact CZ2-CG 3.71Å; W296-R396 HydrophobicContact CZ3-CB 3.74Å; W296-R396 HydrophobicContact CZ3-CG 4.42Å; E314-R396 IonicContact OE1-CZ 3.73Å; E314-R396 IonicContact OE1-NE 3.61Å; E314-R396 PolarHBondContact OE1-NE 2.51Å; E314-R396 IonicContact OE1-NH2 3.3Å; E314-R396 PolarHBondContact OE1-NH2 2.83Å; E314-R396 IonicContact OE2-CZ 3.32Å; E314-R396 IonicContact OE2-NE 3.45Å; E314-R396 PolarHBondContact OE2-NE 3.39Å; E314-R396 IonicContact OE2-NH2 3.42Å
397	G	92.2	Very high	80.2	Confident	5 Å²	5	69.2 Å²	69.2	5%	0.052	38%	0.377	C	S	.	.	S	Bend	trans	77.7	155.3	-172.5	0	0	0	0	0	112.7	E137 Q295 F297	E137-G397 CarbonylContact O-C 3.54Å; E137-G397 WeakPolarHBondContact O-CA 3.44Å; Q295-G397 PolarHBondContact O-N 2.84Å; F297-G397 VanDerWaalsContact CD2-O 3.24Å; F297-G397 WeakPolarHBondContact CD2-O 3.45Å; F297-G397 VanDerWaalsContact CE2-C 3.43Å
398	Y	93.7	Very high	81.7	Confident	42 Å²	42	67.3 Å²	67.3	17%	0.165	36%	0.358	C	S	.	.			trans	-77.3	155.1	-178.5	-163.1	-114.6	0	0	0	111.9	E137 R139 F141 F297 W302 E400	E137-Y398 PolarHBondContact O-N 2.85Å; R139-Y398 HydrophobicContact CB-CD1 3.96Å; R139-Y398 HydrophobicContact CB-CD2 3.76Å; R139-Y398 HydrophobicContact CB-CE2 4.39Å; R139-Y398 HydrophobicContact CB-CG 3.51Å; R139-Y398 HydrophobicContact CG-CD1 3.83Å; R139-Y398 HydrophobicContact CG-CD2 3.92Å; R139-Y398 HydrophobicContact CG-CE1 3.95Å; R139-Y398 HydrophobicContact CG-CE2 4.05Å; R139-Y398 HydrophobicContact CG-CG 3.8Å; F141-Y398 HydrophobicContact CZ-CD2 4.22Å; F141-Y398 AromaticContact CZ-CE2 3.73Å; F141-Y398 HydrophobicContact CZ-CE2 3.73Å; F297-Y398 AromaticContact CD1-CD2 3.94Å; F297-Y398 HydrophobicContact CD1-CD2 3.94Å; F297-Y398 HydrophobicContact CD1-CE2 4.39Å; F297-Y398 HydrophobicContact CD2-CD2 4.37Å; F297-Y398 AromaticContact CE1-CD2 3.62Å; F297-Y398 HydrophobicContact CE1-CD2 3.62Å; F297-Y398 HydrophobicContact CE1-CE2 4.23Å; F297-Y398 HydrophobicContact CE2-CD2 4.06Å; F297-Y398 HydrophobicContact CG-CD2 4.3Å; F297-Y398 AromaticContact CZ-CD2 3.67Å; F297-Y398 HydrophobicContact CZ-CD2 3.67Å; F297-Y398 HydrophobicContact CZ-CG 4.28Å; W302-Y398 HydrophobicContact CB-CE2 4.02Å; W302-Y398 HydrophobicContact CE3-CD2 4.4Å; Y398-E400 VanDerWaalsContact C-N 3.26Å; Y398-E400 HydrophobicContact CD1-CB 4.37Å; Y398-E400 WeakPolarHBondContact CD1-O 3.5Å; Y398-E400 HydrophobicContact CE1-CB 4.48Å; Y398-E400 PolarHBondContact O-N 3.1Å
399	V	91.4	Very high	83.6	Confident	76 Å²	76	66.7 Å²	66.7	46%	0.461	35%	0.352	S	S	.	.	S	Bend	trans	-61.9	-31.7	-176.4	60.5	0	0	0	0	114.1	W302	W302-V399 HydrophobicContact CD2-CB 3.69Å; W302-V399 HydrophobicContact CD2-CG1 3.97Å; W302-V399 HydrophobicContact CD2-CG2 4.49Å; W302-V399 HydrophobicContact CE3-CB 3.81Å; W302-V399 HydrophobicContact CE3-CG1 4.27Å; W302-V399 HydrophobicContact CG-CB 4.4Å; W302-V399 HydrophobicContact CG-CG1 4.2Å; W302-V399 HydrophobicContact CH2-CB 3.69Å; W302-V399 HydrophobicContact CH2-CG2 4.17Å; W302-V399 HydrophobicContact CZ2-CB 3.57Å; W302-V399 HydrophobicContact CZ2-CG2 3.71Å; W302-V399 HydrophobicContact CZ3-CB 3.8Å
400	E	90.8	Very high	85.3	Confident	136 Å²	136	67.2 Å²	67.2	64%	0.636	35%	0.346	S	S	*	.	S	Bend	trans	-120.1	125	179.2	-72.9	173.6	-173.8	0	0	108.9	R139 Y398	R139-E400 PolarHBondContact NH2-O 3.11Å; Y398-E400 VanDerWaalsContact C-N 3.26Å; Y398-E400 HydrophobicContact CD1-CB 4.37Å; Y398-E400 WeakPolarHBondContact CD1-O 3.5Å; Y398-E400 HydrophobicContact CE1-CB 4.48Å; Y398-E400 PolarHBondContact O-N 3.1Å
401	E	88.8	Confident	86.7	Confident	123 Å²	123	63.9 Å²	63.9	58%	0.575	32%	0.322	S	S	*	.			trans	-64.9	141.7	176.1	-71.1	177.8	-176.8	0	0	110.7	E136 S403	E136-E401 HydrophobicContact CB-CB 4.43Å; E136-E401 CarbonylContact O-C 3.5Å; E136-E401 WeakPolarHBondContact O-CA 3.25Å; E401-S403 PolarHBondContact O-N 3.49Å
402	A	91.2	Very high	87.5	Confident	3 Å²	3	65.7 Å²	65.7	3%	0.025	33%	0.332	C	S	.	.			trans	-74.6	117.1	176.3	0	0	0	0	0	110.3	E136 R139 G154 L158	E136-A402 WeakPolarHBondContact CG-O 3.4Å; E136-A402 PolarHBondContact O-N 3.35Å; R139-A402 VanDerWaalsContact NH2-CA 3.27Å; R139-A402 VanDerWaalsContact NH2-N 3.15Å; G154-A402 WeakPolarHBondContact O-CB 3.3Å; L158-A402 HydrophobicContact CB-CB 4.06Å
403	S	88.5	Confident	87.9	Confident	33 Å²	33	62.7 Å²	62.7	23%	0.231	31%	0.313	C	S	.	.			trans	-105.7	142.3	178.2	-179.5	0	0	0	0	111.8	H155 E401 E405 D406	H155-S403 WeakPolarHBondContact CA-O 3.36Å; H155-S403 PolarHBondContact N-O 2.94Å; E401-S403 PolarHBondContact O-N 3.49Å; S403-E405 PolarHBondContact O-N 3.26Å; S403-E405 WeakPolarHBondContact OG-CB 3.47Å; S403-E405 PolarHBondContact OG-N 2.88Å; S403-E405 VanDerWaalsContact OG-N 3.08Å; S403-D406 WeakPolarHBondContact CB-OD2 3.49Å; S403-D406 PolarHBondContact N-OD2 2.95Å; S403-D406 WeakPolarHBondContact O-CB 3.18Å; S403-D406 PolarHBondContact O-N 3.23Å
404	P	83.9	Confident	88.2	Confident	87 Å²	87	59.4 Å²	59.4	57%	0.565	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-17.9	167.3	28.4	-35	0	0	0	112.6	L158 D406	L158-P404 HydrophobicContact CD2-CB 4.4Å; P404-D406 VanDerWaalsContact C-N 3.29Å
405	E	82.1	Confident	88.5	Confident	173 Å²	173	59.3 Å²	59.3	81%	0.808	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-16.7	176.5	-58.3	-178.2	175.2	0	0	112.9	S403 R407	S403-E405 PolarHBondContact O-N 3.26Å; S403-E405 WeakPolarHBondContact OG-CB 3.47Å; S403-E405 PolarHBondContact OG-N 2.88Å; S403-E405 VanDerWaalsContact OG-N 3.08Å; E405-R407 PolarHBondContact O-N 3.22Å
406	D	80.8	Confident	88.8	Confident	72 Å²	72	58 Å²	58	39%	0.385	29%	0.294	S	S	.	.			trans	-74.6	20.9	176.3	-60.9	-39.4	0	0	0	112.6	G154 H155 S403 P404	G154-D406 WeakPolarHBondContact CA-OD2 3.3Å; H155-D406 HydrophobicContact CB-CB 4.11Å; H155-D406 WeakPolarHBondContact CB-O 3.47Å; S403-D406 WeakPolarHBondContact CB-OD2 3.49Å; S403-D406 PolarHBondContact N-OD2 2.95Å; S403-D406 WeakPolarHBondContact O-CB 3.18Å; S403-D406 PolarHBondContact O-N 3.23Å; P404-D406 VanDerWaalsContact C-N 3.29Å
407	R	80.6	Confident	89	Confident	147 Å²	147	54.9 Å²	54.9	56%	0.555	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-66.1	132.4	-179.6	-174.1	177.2	176.7	170.3	-0.3	109.2	E405	E405-R407 PolarHBondContact O-N 3.22Å
408	P	74.9	Confident	89.2	Confident	41 Å²	41	54.6 Å²	54.6	27%	0.266	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-61.6	147.3	174.2	25.2	-32.1	0	0	0	110.3	I153	I153-P408 HydrophobicContact CD1-CG 4.36Å
409	P	80.3	Confident	89	Confident	64 Å²	64	52.7 Å²	52.7	42%	0.416	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-59.2	150.1	177.8	26.2	-34.3	0	0	0	110.5	H456	P409-H456 HydrophobicContact CB-CB 3.93Å; P409-H456 HydrophobicContact CG-CB 3.81Å
410	Q	82.8	Confident	88.7	Confident	86 Å²	86	49.1 Å²	49.1	40%	0.402	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-75.7	135.7	-179.5	-61.1	-166.3	35.6	0	0	110.1	T412 H456	Q410-T412 PolarHBondContact O-N 2.95Å; Q410-H456 WeakPolarHBondContact O-CB 3.15Å
411	T	90.4	Very high	88	Confident	12 Å²	12	44.8 Å²	44.8	7%	0.074	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-63.1	121.4	179.3	-48.7	0	0	0	0	111	H413 H456 E458 F524	T411-H413 VanDerWaalsContact CG2-O 3.24Å; T411-H413 WeakPolarHBondContact CG2-O 3.44Å; T411-H456 WeakPolarHBondContact CA-O 3.42Å; T411-E458 HydrophobicContact CG2-CB 3.6Å; T411-F524 HydrophobicContact CG2-CE2 4.23Å; T411-F524 HydrophobicContact CG2-CZ 3.73Å
412	T	92.1	Very high	86.8	Confident	48 Å²	48	39.2 Å²	39.2	29%	0.294	21%	0.207	S	C	.	.	S	Bend	trans	-100.1	-24.8	173.8	56.5	0	0	0	0	111.7	Q410 H456 G536 K537	Q410-T412 PolarHBondContact O-N 2.95Å; T412-H456 PolarHBondContact N-O 2.98Å; T412-H456 PolarHBondContact OG1-N 3.12Å; T412-H456 VanDerWaalsContact OG1-N 3.09Å; T412-H456 PolarHBondContact OG1-O 2.79Å; T412-G536 WeakPolarHBondContact O-CA 3.33Å; T412-K537 PolarHBondContact O-N 2.93Å; T412-K537 VanDerWaalsContact O-N 3.08Å
413	H	94.6	Very high	85.7	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.019	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	127	178.6	-153.3	138.5	0	0	0	110.4	T411 H456 V457 E458 K537 S539	T411-H413 VanDerWaalsContact CG2-O 3.24Å; T411-H413 WeakPolarHBondContact CG2-O 3.44Å; H413-H456 PolarHBondContact N-O 3.23Å; H413-V457 HydrophobicContact CB-CG1 4.37Å; H413-V457 HydrophobicContact CB-CG2 4.1Å; H413-V457 VanDerWaalsContact O-CA 3.31Å; H413-V457 WeakPolarHBondContact O-CA 3.35Å; H413-E458 PolarHBondContact O-N 3.05Å; H413-K537 WeakPolarHBondContact CA-O 3.17Å; H413-K537 VanDerWaalsContact CD2-C 3.48Å; H413-K537 PolarHBondContact CD2-O 2.85Å; H413-K537 VanDerWaalsContact CE1-CB 3.41Å; H413-K537 WeakPolarHBondContact CE1-CB 3.24Å; H413-S539 PolarHBondContact CE1-OG 3.32Å; H413-S539 PolarHBondContact NE2-N 2.93Å; H413-S539 PolarHBondContact NE2-OG 3.3Å
414	V	96.5	Very high	84.5	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	135.9	171.9	67.4	0	0	0	0	111.1	E458 L460 F524 F531 K537 V538 S539	V414-E458 CarbonylContact C-O 3.53Å; V414-E458 WeakPolarHBondContact CA-O 3.4Å; V414-L460 HydrophobicContact CG2-CD1 3.71Å; V414-L460 HydrophobicContact CG2-CG 4.04Å; V414-F524 HydrophobicContact CB-CE1 4.11Å; V414-F524 HydrophobicContact CB-CE2 4.48Å; V414-F524 HydrophobicContact CB-CZ 4.1Å; V414-F524 HydrophobicContact CG1-CD1 4.39Å; V414-F524 HydrophobicContact CG1-CE1 4.21Å; V414-F524 HydrophobicContact CG2-CD2 4.34Å; V414-F524 HydrophobicContact CG2-CE2 4.28Å; V414-F524 HydrophobicContact CG2-CZ 4.38Å; V414-F531 HydrophobicContact CB-CZ 4.42Å; V414-F531 HydrophobicContact CG1-CE1 4.32Å; V414-F531 HydrophobicContact CG1-CZ 3.84Å; V414-K537 PolarHBondContact N-O 3.45Å; V414-V538 HydrophobicContact CG1-CB 4.27Å; V414-V538 HydrophobicContact CG1-CG1 4.05Å; V414-V538 HydrophobicContact CG1-CG2 3.82Å; V414-V538 WeakPolarHBondContact O-CA 3.36Å; V414-S539 PolarHBondContact O-N 2.87Å
415	V	97.9	Very high	83.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	116.8	-178.7	-173.9	0	0	0	0	109.8	V457 E458 F459 L460 S539 V541 L860	V415-V457 HydrophobicContact CG2-CG1 3.52Å; V415-E458 PolarHBondContact N-O 2.94Å; V415-F459 HydrophobicContact CB-CD1 3.69Å; V415-F459 HydrophobicContact CB-CE1 3.89Å; V415-F459 HydrophobicContact CB-CG 4.21Å; V415-F459 HydrophobicContact CG1-CD1 3.77Å; V415-F459 HydrophobicContact CG1-CE1 3.81Å; V415-F459 HydrophobicContact CG2-CD1 4.27Å; V415-F459 HydrophobicContact CG2-CE1 4.01Å; V415-F459 HydrophobicContact CG2-CZ 4.23Å; V415-F459 CarbonylContact O-C 3.52Å; V415-F459 WeakPolarHBondContact O-CA 3.45Å; V415-L460 PolarHBondContact O-N 3.36Å; V415-S539 WeakPolarHBondContact CA-O 3.43Å; V415-V541 HydrophobicContact CG1-CB 4.18Å; V415-V541 HydrophobicContact CG1-CG2 3.49Å; V415-V541 VanDerWaalsContact CG1-CG2 3.49Å; V415-L860 HydrophobicContact CG2-CD1 3.98Å; V415-L860 HydrophobicContact CG2-CD2 4.01Å
416	F	98.3	Very high	82.2	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	124	174.1	-68.5	-60.2	0	0	0	110.7	L460 V462 L517 L520 Y521 V538 S539 I540 V541 F620	F416-L460 HydrophobicContact CD1-CB 4.12Å; F416-L460 HydrophobicContact CE1-CB 4.28Å; F416-L460 HydrophobicContact CE1-CD1 3.97Å; F416-V462 HydrophobicContact CB-CG2 3.76Å; F416-V462 HydrophobicContact CD1-CG2 4.1Å; F416-V462 HydrophobicContact CG-CG2 4.31Å; F416-L517 HydrophobicContact CB-CD2 3.73Å; F416-L517 HydrophobicContact CD1-CD2 4.39Å; F416-L517 HydrophobicContact CD2-CD2 4.15Å; F416-L517 HydrophobicContact CG-CD2 3.83Å; F416-L520 HydrophobicContact CD1-CB 4.33Å; F416-L520 HydrophobicContact CD1-CD1 4.32Å; F416-L520 HydrophobicContact CE1-CB 3.63Å; F416-L520 HydrophobicContact CE1-CD1 4.41Å; F416-L520 HydrophobicContact CZ-CB 4.32Å; F416-Y521 HydrophobicContact CE2-CD2 4.29Å; F416-Y521 HydrophobicContact CZ-CD2 4.3Å; F416-V538 HydrophobicContact CD2-CG1 3.75Å; F416-V538 HydrophobicContact CE2-CG1 3.58Å; F416-S539 PolarHBondContact N-O 2.67Å; F416-I540 HydrophobicContact CB-CG1 4.42Å; F416-I540 WeakPolarHBondContact O-CA 3.13Å; F416-V541 PolarHBondContact O-N 3.01Å; F416-F620 HydrophobicContact CD2-CE1 4.33Å; F416-F620 HydrophobicContact CD2-CE2 4.13Å; F416-F620 AromaticContact CD2-CZ 3.72Å; F416-F620 HydrophobicContact CD2-CZ 3.72Å; F416-F620 HydrophobicContact CE2-CD1 4.43Å; F416-F620 AromaticContact CE2-CE1 3.81Å; F416-F620 HydrophobicContact CE2-CE1 3.81Å; F416-F620 HydrophobicContact CE2-CE2 4.15Å; F416-F620 AromaticContact CE2-CZ 3.65Å; F416-F620 HydrophobicContact CE2-CZ 3.65Å
417	V	97.3	Very high	81.4	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	105.1	-177.2	-171.6	0	0	0	0	110	I430 T434 L437 F459 L460 V462 V541 W847	V417-I430 HydrophobicContact CG1-CD1 3.93Å; V417-T434 HydrophobicContact CB-CG2 4.23Å; V417-T434 HydrophobicContact CG2-CG2 3.92Å; V417-L437 HydrophobicContact CG2-CD2 4.38Å; V417-F459 HydrophobicContact CG2-CB 4.11Å; V417-F459 HydrophobicContact CG2-CD1 4.01Å; V417-L460 PolarHBondContact N-O 2.97Å; V417-V462 WeakPolarHBondContact O-CB 3.38Å; V417-V462 PolarHBondContact O-N 3.11Å; V417-V541 CarbonylContact C-O 3.56Å; V417-V541 WeakPolarHBondContact CA-O 3.44Å; V417-W847 HydrophobicContact CG1-CE3 4.33Å; V417-W847 HydrophobicContact CG1-CH2 3.69Å; V417-W847 HydrophobicContact CG1-CZ3 3.35Å
418	V	95.7	Very high	81.1	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121.5	-176.2	-177.4	0	0	0	0	109.9	V462 L513 L517 I540 V541 S542 H543	V418-V462 HydrophobicContact CG2-CB 4.06Å; V418-V462 HydrophobicContact CG2-CG1 4.39Å; V418-V462 HydrophobicContact CG2-CG2 3.98Å; V418-L513 HydrophobicContact CG1-CD1 4.01Å; V418-L513 HydrophobicContact CG1-CD2 3.97Å; V418-L513 HydrophobicContact CG2-CD1 4.3Å; V418-L517 HydrophobicContact CG2-CD2 4.33Å; V418-I540 HydrophobicContact CG2-CG2 3.87Å; V418-V541 PolarHBondContact N-O 3.42Å; V418-S542 WeakPolarHBondContact CB-OG 3.09Å; V418-S542 WeakPolarHBondContact O-CA 3.12Å; V418-H543 PolarHBondContact O-N 3.35Å
419	H	91	Very high	81.4	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	18%	0.18	C	C	.	.			trans	-77.1	159.6	175.9	66.2	74.6	0	0	0	112.6	Q423 I430 V462 W464 G546	H419-Q423 HydrophobicContact CB-CG 4.3Å; H419-Q423 WeakPolarHBondContact CE1-CG 3.48Å; H419-Q423 VanDerWaalsContact CG-CG 3.46Å; H419-Q423 WeakPolarHBondContact ND1-CG 3.14Å; H419-I430 HydrophobicContact CB-CB 4Å; H419-I430 HydrophobicContact CB-CD1 3.67Å; H419-I430 HydrophobicContact CB-CG1 3.89Å; H419-V462 PolarHBondContact CD2-O 3.31Å; H419-V462 VanDerWaalsContact CD2-O 3.23Å; H419-W464 AromaticContact CD2-CD1 3.88Å; H419-W464 AromaticContact CD2-NE1 3.9Å; H419-W464 AromaticContact CE1-CD1 3.47Å; H419-W464 VanDerWaalsContact CE1-CD1 3.47Å; H419-W464 AromaticContact CE1-CD2 3.94Å; H419-W464 AromaticContact CE1-CE2 3.26Å; H419-W464 AromaticContact CE1-CZ2 3.7Å; H419-W464 AromaticContact CE1-NE1 2.97Å; H419-W464 PolarHBondContact CE1-NE1 2.93Å; H419-W464 AromaticContact ND1-CE2 3.96Å; H419-W464 AromaticContact ND1-NE1 3.47Å; H419-W464 PolarHBondContact ND1-NE1 3.22Å; H419-W464 AromaticContact NE2-CD1 3.23Å; H419-W464 AromaticContact NE2-CE2 3.85Å; H419-W464 AromaticContact NE2-CG 3.85Å; H419-W464 AromaticContact NE2-NE1 3.28Å; H419-W464 PolarHBondContact NE2-NE1 2.86Å; H419-W464 PolarHBondContact O-NE1 3.24Å; H419-G546 WeakPolarHBondContact O-CA 3.47Å
420	G	85.3	Confident	81.8	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.01	16%	0.16	C	C	.	.			trans	-88.6	-145.2	169	0	0	0	0	0	113.8	H543	G420-H543 WeakPolarHBondContact CA-O 3.24Å; G420-H543 PolarHBondContact N-O 3.25Å
421	I	74.6	Confident	82.1	Confident	46 Å²	46	29 Å²	29	24%	0.236	14%	0.144	C	C	.	.	S	Bend	trans	-64.1	153.9	178.5	67.9	-174.3	0	0	0	111.3	S493 D496 I497 L545	I421-S493 VanDerWaalsContact CB-O 3.23Å; I421-S493 WeakPolarHBondContact CB-O 3.34Å; I421-S493 WeakPolarHBondContact CD1-O 3.4Å; I421-S493 WeakPolarHBondContact CG1-O 3.4Å; I421-D496 WeakPolarHBondContact CA-OD2 3.43Å; I421-D496 HydrophobicContact CB-CB 4.22Å; I421-D496 HydrophobicContact CG2-CB 4.03Å; I421-I497 HydrophobicContact CD1-CD1 4.11Å; I421-I497 HydrophobicContact CG2-CD1 4.27Å; I421-I497 HydrophobicContact CG2-CG1 3.65Å; I421-L545 HydrophobicContact CG2-CB 3.55Å; I421-L545 HydrophobicContact CG2-CD2 3.59Å; I421-L545 HydrophobicContact CG2-CG 4.2Å
422	G	64.4	Low	81.9	Confident	5 Å²	5	34.7 Å²	34.7	5%	0.052	17%	0.168	C	C	.	.			trans	108.7	15.1	161.4	0	0	0	0	0	118	S492 D496	G422-S492 CarbonylContact C-O 3.53Å; G422-S492 WeakPolarHBondContact CA-O 3.26Å; G422-D496 PolarHBondContact N-OD2 2.99Å
423	Q	67	Low	81.8	Confident	10 Å²	10	33.1 Å²	33.1	5%	0.047	16%	0.158	C	C	.	.			trans	-89.5	-10.8	-175.7	-59.1	-62.6	-68.4	0	0	114.7	H419 M425 D426 R465	H419-Q423 HydrophobicContact CB-CG 4.3Å; H419-Q423 WeakPolarHBondContact CE1-CG 3.48Å; H419-Q423 VanDerWaalsContact CG-CG 3.46Å; H419-Q423 WeakPolarHBondContact ND1-CG 3.14Å; Q423-M425 VanDerWaalsContact C-N 3.29Å; Q423-M425 PolarHBondContact O-N 3.3Å; Q423-D426 CarbonylContact O-C 3.6Å; Q423-D426 PolarHBondContact O-N 3Å; Q423-R465 HydrophobicContact CB-CB 4.02Å; Q423-R465 HydrophobicContact CB-CG 4.08Å; Q423-R465 HydrophobicContact CG-CB 4.49Å
424	K	64.9	Low	81.8	Confident	63 Å²	63	33 Å²	33	27%	0.274	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-34.4	-175.8	-169.3	-177.6	175.1	-173.8	0	112.5	D476	K424-D476 IonicContact NZ-OD1 3.85Å; K424-D476 PolarHBondContact NZ-OD1 3.46Å; K424-D476 IonicContact NZ-OD2 3.97Å; K424-D476 PolarHBondContact NZ-OD2 3.42Å
425	M	55.8	Low	81.5	Confident	118 Å²	118	34.2 Å²	34.2	58%	0.581	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-17.3	-177.2	-98.1	177.6	83.5	0	0	115.2	Q423 L489 S492	Q423-M425 VanDerWaalsContact C-N 3.29Å; Q423-M425 PolarHBondContact O-N 3.3Å; M425-L489 HydrophobicContact SD-CD1 4.5Å; M425-S492 VanDerWaalsContact CB-CB 3.49Å; M425-S492 WeakPolarHBondContact CG-OG 2.94Å; M425-S492 WeakPolarHBondContact SD-CB 3.42Å; M425-S492 PolarHBondContact SD-OG 3.32Å
426	D	61.9	Low	81.2	Confident	80 Å²	80	37.2 Å²	37.2	43%	0.428	19%	0.185	S	C	.	.	S	Bend	trans	-140	74.9	-174.1	-172.5	15.3	0	0	0	107.5	Q423 G428 R429	Q423-D426 CarbonylContact O-C 3.6Å; Q423-D426 PolarHBondContact O-N 3Å; D426-G428 PolarHBondContact O-N 3.02Å; D426-R429 HydrophobicContact CB-CB 3.92Å; D426-R429 WeakPolarHBondContact O-CB 3.28Å; D426-R429 PolarHBondContact O-N 2.95Å; D426-R429 WeakPolarHBondContact OD2-CB 3.33Å; D426-R429 WeakPolarHBondContact OD2-CG 3.34Å
427	Q	63.5	Low	81	Confident	119 Å²	119	37.3 Å²	37.3	56%	0.556	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	129.5	174.3	-69	-175.8	-2.8	0	0	108.3
428	G	73.1	Confident	80.8	Confident	8 Å²	8	39 Å²	39	8%	0.082	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	4.5	-171.8	0	0	0	0	0	116.5	D426 I430 I431 K432 E463	D426-G428 PolarHBondContact O-N 3.02Å; G428-I430 PolarHBondContact O-N 2.84Å; G428-I431 WeakPolarHBondContact O-CA 3.49Å; G428-I431 VanDerWaalsContact O-CB 3.24Å; G428-I431 WeakPolarHBondContact O-CB 3.38Å; G428-I431 PolarHBondContact O-N 3.43Å; G428-K432 PolarHBondContact O-N 2.67Å; G428-K432 VanDerWaalsContact O-N 3.08Å; G428-E463 WeakPolarHBondContact CA-OE1 3.49Å; G428-E463 PolarHBondContact N-OE1 2.95Å
429	R	82.6	Confident	80.6	Confident	81 Å²	81	43.2 Å²	43.2	31%	0.306	21%	0.211	S	C	.	.	H	α-helix	trans	-56.1	-39.5	172.5	-175	175.4	179.7	-169.1	3.6	112.5	D426 I431 K432 N433	D426-R429 HydrophobicContact CB-CB 3.92Å; D426-R429 WeakPolarHBondContact O-CB 3.28Å; D426-R429 PolarHBondContact O-N 2.95Å; D426-R429 WeakPolarHBondContact OD2-CB 3.33Å; D426-R429 WeakPolarHBondContact OD2-CG 3.34Å; R429-I431 VanDerWaalsContact C-N 3.27Å; R429-I431 PolarHBondContact O-N 2.48Å; R429-K432 PolarHBondContact O-N 3.19Å; R429-N433 WeakPolarHBondContact O-CB 3.35Å; R429-N433 VanDerWaalsContact O-CG 3.26Å; R429-N433 PolarHBondContact O-N 3.23Å
430	I	88.8	Confident	80.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.8	-33.3	173.9	-173.7	50.1	0	0	0	112.7	V417 H419 G428 N433 T434 P461 E463 W847	V417-I430 HydrophobicContact CG1-CD1 3.93Å; H419-I430 HydrophobicContact CB-CB 4Å; H419-I430 HydrophobicContact CB-CD1 3.67Å; H419-I430 HydrophobicContact CB-CG1 3.89Å; G428-I430 PolarHBondContact O-N 2.84Å; I430-N433 HydrophobicContact CD1-CB 4.49Å; I430-N433 PolarHBondContact O-N 2.93Å; I430-T434 VanDerWaalsContact O-CB 3.27Å; I430-T434 WeakPolarHBondContact O-CB 3.33Å; I430-T434 PolarHBondContact O-N 3.24Å; I430-T434 PolarHBondContact O-OG1 3.44Å; I430-P461 HydrophobicContact CG1-CB 4.12Å; I430-P461 HydrophobicContact CG2-CB 4.49Å; I430-E463 HydrophobicContact CG2-CB 3.92Å; I430-E463 HydrophobicContact CG2-CG 4Å; I430-W847 HydrophobicContact CD1-CH2 4.48Å
431	I	88.3	Confident	81.1	Confident	13 Å²	13	43.7 Å²	43.7	7%	0.067	22%	0.215	C	C	.	.	H	α-helix	trans	-65.5	-46.7	175.8	-55.7	163.4	0	0	0	109.1	W259 G428 R429 T434 G435 P461	W259-I431 HydrophobicContact CB-CD1 3.84Å; W259-I431 HydrophobicContact CB-CG1 4.17Å; W259-I431 HydrophobicContact CD2-CG1 4.4Å; W259-I431 HydrophobicContact CD2-CG2 4.22Å; W259-I431 HydrophobicContact CG-CD1 3.64Å; W259-I431 HydrophobicContact CG-CG1 3.9Å; W259-I431 HydrophobicContact CG-CG2 4.34Å; W259-I431 HydrophobicContact CZ2-CG2 4.24Å; G428-I431 WeakPolarHBondContact O-CA 3.49Å; G428-I431 VanDerWaalsContact O-CB 3.24Å; G428-I431 WeakPolarHBondContact O-CB 3.38Å; G428-I431 PolarHBondContact O-N 3.43Å; R429-I431 VanDerWaalsContact C-N 3.27Å; R429-I431 PolarHBondContact O-N 2.48Å; I431-T434 PolarHBondContact O-N 3.41Å; I431-G435 PolarHBondContact O-N 3.29Å; I431-P461 HydrophobicContact CG1-CB 4.36Å; I431-P461 HydrophobicContact CG1-CG 4.24Å
432	K	87.3	Confident	81.8	Confident	132 Å²	132	48 Å²	48	57%	0.574	23%	0.229	S	C	*	.	H	α-helix	trans	-60.5	-48.4	175.4	-174.1	177.9	179.3	179.1	0	111.6	G428 R429 T434 G435 M436	G428-K432 PolarHBondContact O-N 2.67Å; G428-K432 VanDerWaalsContact O-N 3.08Å; R429-K432 PolarHBondContact O-N 3.19Å; K432-T434 VanDerWaalsContact C-N 3.34Å; K432-T434 PolarHBondContact O-N 2.69Å; K432-G435 WeakPolarHBondContact O-CA 3.35Å; K432-G435 PolarHBondContact O-N 3Å; K432-G435 VanDerWaalsContact O-N 3.14Å; K432-M436 WeakPolarHBondContact O-CG 3.4Å; K432-M436 PolarHBondContact O-N 2.69Å
433	N	90	Very high	83	Confident	15 Å²	15	52.2 Å²	52.2	8%	0.08	25%	0.246	C	C	.	.	H	α-helix	trans	-59.4	-43.6	177.6	-72.1	-13.9	0	0	0	112.2	R429 I430 G435 M436 L437 W847	R429-N433 WeakPolarHBondContact O-CB 3.35Å; R429-N433 VanDerWaalsContact O-CG 3.26Å; R429-N433 PolarHBondContact O-N 3.23Å; I430-N433 HydrophobicContact CD1-CB 4.49Å; I430-N433 PolarHBondContact O-N 2.93Å; N433-G435 VanDerWaalsContact C-N 3.32Å; N433-M436 HydrophobicContact CB-CE 4.49Å; N433-M436 PolarHBondContact O-N 3.13Å; N433-M436 VanDerWaalsContact OD1-CE 3.27Å; N433-M436 WeakPolarHBondContact OD1-CE 3.35Å; N433-L437 PolarHBondContact O-N 2.96Å; N433-W847 HydrophobicContact CB-CB 4.18Å; N433-W847 HydrophobicContact CB-CD2 3.84Å; N433-W847 HydrophobicContact CB-CE3 4.44Å; N433-W847 HydrophobicContact CB-CG 3.7Å; N433-W847 PolarHBondContact ND2-NE1 3.29Å
434	T	93.3	Very high	84.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-68.1	-34	176.7	-55.2	0	0	0	0	111.5	V417 I430 I431 K432 L437 R438 F459 P461	V417-T434 HydrophobicContact CB-CG2 4.23Å; V417-T434 HydrophobicContact CG2-CG2 3.92Å; I430-T434 VanDerWaalsContact O-CB 3.27Å; I430-T434 WeakPolarHBondContact O-CB 3.33Å; I430-T434 PolarHBondContact O-N 3.24Å; I430-T434 PolarHBondContact O-OG1 3.44Å; I431-T434 PolarHBondContact O-N 3.41Å; K432-T434 VanDerWaalsContact C-N 3.34Å; K432-T434 PolarHBondContact O-N 2.69Å; T434-L437 PolarHBondContact O-N 3.26Å; T434-R438 WeakPolarHBondContact O-CB 3.3Å; T434-R438 WeakPolarHBondContact O-CG 3.5Å; T434-R438 PolarHBondContact O-N 3.38Å; T434-R438 PolarHBondContact O-NE 2.77Å; T434-F459 HydrophobicContact CG2-CB 4.12Å; T434-P461 HydrophobicContact CG2-CB 4.24Å; T434-P461 WeakPolarHBondContact OG1-CB 3.4Å
435	G	91.6	Very high	85.3	Confident	26 Å²	26	51.1 Å²	51.1	27%	0.268	24%	0.242	S	C	.	.	H	α-helix	trans	-61.5	-46.7	170.7	0	0	0	0	0	112.7	I431 K432 N433 L437 R438 E439	I431-G435 PolarHBondContact O-N 3.29Å; K432-G435 WeakPolarHBondContact O-CA 3.35Å; K432-G435 PolarHBondContact O-N 3Å; K432-G435 VanDerWaalsContact O-N 3.14Å; N433-G435 VanDerWaalsContact C-N 3.32Å; G435-L437 VanDerWaalsContact C-N 3.34Å; G435-L437 PolarHBondContact O-N 2.83Å; G435-R438 PolarHBondContact O-N 3.24Å; G435-E439 PolarHBondContact O-N 2.92Å
436	M	91.2	Very high	86.7	Confident	63 Å²	63	51.4 Å²	51.4	31%	0.31	24%	0.241	S	C	.	.	H	α-helix	trans	-61.8	-41.8	175.9	-65.9	-173.9	-61.1	0	0	111.8	K432 N433 E439 G440 W847 C848	K432-M436 WeakPolarHBondContact O-CG 3.4Å; K432-M436 PolarHBondContact O-N 2.69Å; N433-M436 HydrophobicContact CB-CE 4.49Å; N433-M436 PolarHBondContact O-N 3.13Å; N433-M436 VanDerWaalsContact OD1-CE 3.27Å; N433-M436 WeakPolarHBondContact OD1-CE 3.35Å; M436-E439 PolarHBondContact O-N 3.34Å; M436-G440 PolarHBondContact O-N 3.45Å; M436-W847 CarbonylContact C-O 3.36Å; M436-W847 HydrophobicContact CE-CB 4.32Å; M436-C848 PolarHBondContact SD-SG 2.64Å
437	L	93.7	Very high	88	Confident	2 Å²	2	53 Å²	53	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-47.5	175.8	-179.2	61.9	0	0	0	111.6	V417 N433 T434 G435 E439 G440 V441 F459 W847 L856	V417-L437 HydrophobicContact CG2-CD2 4.38Å; N433-L437 PolarHBondContact O-N 2.96Å; T434-L437 PolarHBondContact O-N 3.26Å; G435-L437 VanDerWaalsContact C-N 3.34Å; G435-L437 PolarHBondContact O-N 2.83Å; L437-E439 VanDerWaalsContact C-N 3.31Å; L437-E439 PolarHBondContact O-N 2.89Å; L437-G440 PolarHBondContact O-N 3.44Å; L437-V441 HydrophobicContact CD1-CG2 4.3Å; L437-V441 HydrophobicContact CG-CG2 4.42Å; L437-V441 WeakPolarHBondContact O-CG2 3.34Å; L437-V441 PolarHBondContact O-N 3.34Å; L437-F459 HydrophobicContact CD2-CD1 3.91Å; L437-F459 HydrophobicContact CD2-CE1 4.15Å; L437-W847 WeakPolarHBondContact CA-O 3.27Å; L437-W847 HydrophobicContact CD2-CE3 4.37Å; L437-W847 HydrophobicContact CD2-CZ3 4.46Å; L437-W847 PolarHBondContact N-O 3.11Å; L437-L856 HydrophobicContact CD1-CD1 4.09Å; L437-L856 HydrophobicContact CD2-CD1 4.39Å
438	R	93.5	Very high	89	Confident	36 Å²	36	50.3 Å²	50.3	14%	0.136	23%	0.232	C	C	.	.	H	α-helix	trans	-59.4	-40.9	177.6	-79.6	-175.7	-67.5	149.6	-5.8	112.6	T434 G435 V441 R442 F459	T434-R438 WeakPolarHBondContact O-CB 3.3Å; T434-R438 WeakPolarHBondContact O-CG 3.5Å; T434-R438 PolarHBondContact O-N 3.38Å; T434-R438 PolarHBondContact O-NE 2.77Å; G435-R438 PolarHBondContact O-N 3.24Å; R438-V441 PolarHBondContact O-N 3.05Å; R438-R442 WeakPolarHBondContact O-CB 3.13Å; R438-R442 PolarHBondContact O-N 3.24Å; R438-F459 HydrophobicContact CG-CB 3.71Å; R438-F459 HydrophobicContact CG-CD2 4.26Å; R438-F459 HydrophobicContact CG-CG 4.27Å
439	E	91.6	Very high	89.5	Confident	89 Å²	89	51.5 Å²	51.5	42%	0.416	24%	0.235	S	C	.	.	H	α-helix	trans	-64.8	-42.2	176.2	-178.4	59.6	-162.7	0	0	111.6	G435 M436 L437 K443	G435-E439 PolarHBondContact O-N 2.92Å; M436-E439 PolarHBondContact O-N 3.34Å; L437-E439 VanDerWaalsContact C-N 3.31Å; L437-E439 PolarHBondContact O-N 2.89Å; E439-K443 WeakPolarHBondContact O-CG 3.37Å; E439-K443 PolarHBondContact O-N 3.23Å; E439-K443 VanDerWaalsContact O-N 3.16Å; E439-K443 WeakPolarHBondContact OE1-CE 3.4Å; E439-K443 IonicContact OE1-NZ 3.92Å; E439-K443 PolarHBondContact OE1-NZ 3.04Å
440	G	92.3	Very high	89.2	Confident	7 Å²	7	51.3 Å²	51.3	7%	0.072	25%	0.246	C	C	.	.	H	α-helix	trans	-60.9	-45.5	173.3	0	0	0	0	0	112.3	M436 L437 K443 M444	M436-G440 PolarHBondContact O-N 3.45Å; L437-G440 PolarHBondContact O-N 3.44Å; G440-K443 PolarHBondContact O-N 2.82Å; G440-M444 WeakPolarHBondContact O-CG 3.38Å; G440-M444 PolarHBondContact O-N 3.15Å; G440-M444 VanDerWaalsContact O-N 3.1Å
441	V	92.9	Very high	88.4	Confident	5 Å²	5	59.8 Å²	59.8	3%	0.03	29%	0.286	C	S	.	.	H	α-helix	trans	-61.2	-50.3	177.9	168.2	0	0	0	0	111.1	L437 R438 K443 M444 E445 F459 A853 L857	L437-V441 HydrophobicContact CD1-CG2 4.3Å; L437-V441 HydrophobicContact CG-CG2 4.42Å; L437-V441 WeakPolarHBondContact O-CG2 3.34Å; L437-V441 PolarHBondContact O-N 3.34Å; R438-V441 PolarHBondContact O-N 3.05Å; V441-K443 VanDerWaalsContact C-N 3.31Å; V441-K443 PolarHBondContact O-N 2.62Å; V441-M444 CarbonylContact O-C 3.54Å; V441-M444 WeakPolarHBondContact O-CA 3.34Å; V441-M444 PolarHBondContact O-N 2.74Å; V441-E445 WeakPolarHBondContact O-CB 3.38Å; V441-E445 PolarHBondContact O-N 2.88Å; V441-F459 HydrophobicContact CB-CE2 4.34Å; V441-F459 HydrophobicContact CG1-CE2 3.85Å; V441-F459 HydrophobicContact CG1-CZ 4.39Å; V441-F459 HydrophobicContact CG2-CE2 4.01Å; V441-F459 HydrophobicContact CG2-CZ 3.93Å; V441-A853 HydrophobicContact CG2-CB 3.84Å; V441-L857 HydrophobicContact CG1-CD1 4.02Å; V441-L857 HydrophobicContact CG1-CD2 3.64Å; V441-L857 HydrophobicContact CG1-CG 3.94Å
442	R	89.8	Confident	87.3	Confident	136 Å²	136	62.6 Å²	62.6	51%	0.513	30%	0.298	S	S	.	.	H	α-helix	trans	-55.7	-44.9	178.5	-173.5	-172	-59.2	-100.5	-8	112	R438 M444 E445 E446	R438-R442 WeakPolarHBondContact O-CB 3.13Å; R438-R442 PolarHBondContact O-N 3.24Å; R442-M444 VanDerWaalsContact C-N 3.3Å; R442-M444 PolarHBondContact O-N 3.4Å; R442-E445 PolarHBondContact O-N 3.14Å; R442-E446 WeakPolarHBondContact O-CG 3.46Å; R442-E446 PolarHBondContact O-N 3.35Å
443	K	90.4	Very high	86.2	Confident	94 Å²	94	62.2 Å²	62.2	41%	0.409	30%	0.302	S	S	.	.	H	α-helix	trans	-61.2	-38.8	175.5	-74.3	175.8	-178.5	160.9	0	112.6	E439 G440 V441 K447	E439-K443 WeakPolarHBondContact O-CG 3.37Å; E439-K443 PolarHBondContact O-N 3.23Å; E439-K443 VanDerWaalsContact O-N 3.16Å; E439-K443 WeakPolarHBondContact OE1-CE 3.4Å; E439-K443 IonicContact OE1-NZ 3.92Å; E439-K443 PolarHBondContact OE1-NZ 3.04Å; G440-K443 PolarHBondContact O-N 2.82Å; V441-K443 VanDerWaalsContact C-N 3.31Å; V441-K443 PolarHBondContact O-N 2.62Å; K443-K447 WeakPolarHBondContact O-CB 3.37Å; K443-K447 PolarHBondContact O-N 3.36Å
444	M	90.4	Very high	85.4	Confident	11 Å²	11	68.6 Å²	68.6	5%	0.054	34%	0.337	C	S	.	.	H	α-helix	trans	-75	-35.7	179.8	-68	-52.2	90.5	0	0	112.3	G440 V441 R442 K447 H448 C694 H850 A853 L854 L857	G440-M444 WeakPolarHBondContact O-CG 3.38Å; G440-M444 PolarHBondContact O-N 3.15Å; G440-M444 VanDerWaalsContact O-N 3.1Å; V441-M444 CarbonylContact O-C 3.54Å; V441-M444 WeakPolarHBondContact O-CA 3.34Å; V441-M444 PolarHBondContact O-N 2.74Å; R442-M444 VanDerWaalsContact C-N 3.3Å; R442-M444 PolarHBondContact O-N 3.4Å; M444-K447 PolarHBondContact O-N 2.97Å; M444-H448 WeakPolarHBondContact O-CB 3.33Å; M444-H448 PolarHBondContact O-N 2.97Å; M444-H448 PolarHBondContact O-ND1 2.97Å; M444-C694 HydrophobicContact SD-CB 3.61Å; M444-H850 HydrophobicContact CE-CB 4.41Å; M444-H850 HydrophobicContact SD-CB 4.19Å; M444-A853 HydrophobicContact CG-CB 4.02Å; M444-L854 HydrophobicContact CB-CB 4.41Å; M444-L854 HydrophobicContact CG-CB 4.11Å; M444-L854 HydrophobicContact SD-CB 4.4Å; M444-L857 HydrophobicContact CB-CD1 3.96Å
445	E	88.6	Confident	84.8	Confident	39 Å²	39	71.7 Å²	71.7	18%	0.182	35%	0.351	C	S	.	.	H	α-helix	trans	-62.5	-52.1	174.4	-177.7	173.1	-146.6	0	0	111.4	V441 R442 K447 H448 F449 S450 L857 Y861	V441-E445 WeakPolarHBondContact O-CB 3.38Å; V441-E445 PolarHBondContact O-N 2.88Å; R442-E445 PolarHBondContact O-N 3.14Å; E445-K447 PolarHBondContact O-N 3Å; E445-K447 VanDerWaalsContact O-N 3.14Å; E445-H448 PolarHBondContact O-N 3.39Å; E445-F449 HydrophobicContact CG-CB 4.39Å; E445-F449 CarbonylContact O-C 3.44Å; E445-F449 WeakPolarHBondContact O-CA 3.48Å; E445-F449 PolarHBondContact O-N 3.42Å; E445-S450 PolarHBondContact O-N 3.3Å; E445-L857 HydrophobicContact CB-CD1 3.94Å; E445-Y861 HydrophobicContact CG-CE2 4.33Å; E445-Y861 PolarHBondContact OE1-OH 2.7Å
446	E	86.8	Confident	84.6	Confident	123 Å²	123	71.8 Å²	71.8	58%	0.575	34%	0.344	S	S	*	.	H	α-helix	trans	-57.6	-31.8	175.9	-74.2	176.7	-165	0	0	112.9	R442	R442-E446 WeakPolarHBondContact O-CG 3.46Å; R442-E446 PolarHBondContact O-N 3.35Å
447	K	88.3	Confident	84.6	Confident	115 Å²	115	69 Å²	69	50%	0.5	33%	0.331	S	S	.	.	H	α-helix	trans	-86.5	-38.2	-176.2	-176.1	179	169.5	-160.8	0	113.5	K443 M444 E445 C694	K443-K447 WeakPolarHBondContact O-CB 3.37Å; K443-K447 PolarHBondContact O-N 3.36Å; M444-K447 PolarHBondContact O-N 2.97Å; E445-K447 PolarHBondContact O-N 3Å; E445-K447 VanDerWaalsContact O-N 3.14Å; K447-C694 PolarHBondContact NZ-O 3.1Å
448	H	84.4	Confident	84.6	Confident	62 Å²	62	69.8 Å²	69.8	29%	0.287	34%	0.335	S	S	.	.	H	α-helix	trans	-117.4	-21.5	-169.7	-54.7	95.2	0	0	0	114.1	M444 E445 C694 L854	M444-H448 WeakPolarHBondContact O-CB 3.33Å; M444-H448 PolarHBondContact O-N 2.97Å; M444-H448 PolarHBondContact O-ND1 2.97Å; E445-H448 PolarHBondContact O-N 3.39Å; H448-C694 PolarHBondContact CE1-O 3.37Å; H448-C694 VanDerWaalsContact CE1-O 3.23Å; H448-C694 PolarHBondContact NE2-O 3.37Å; H448-L854 HydrophobicContact CB-CD1 4.15Å
449	F	84.6	Confident	84.7	Confident	32 Å²	32	68.2 Å²	68.2	14%	0.14	33%	0.329	C	S	.	.			trans	-123.8	22	-173.5	-60.7	-86.2	0	0	0	112.9	E445 E451 H452 L854 L857 Y861	E445-F449 HydrophobicContact CG-CB 4.39Å; E445-F449 CarbonylContact O-C 3.44Å; E445-F449 WeakPolarHBondContact O-CA 3.48Å; E445-F449 PolarHBondContact O-N 3.42Å; F449-E451 PolarHBondContact O-N 3.42Å; F449-H452 PolarHBondContact O-N 2.91Å; F449-L854 HydrophobicContact CE2-CD1 3.78Å; F449-L854 HydrophobicContact CZ-CD1 4.41Å; F449-L857 HydrophobicContact CD2-CB 4.22Å; F449-L857 HydrophobicContact CD2-CD1 3.91Å; F449-L857 HydrophobicContact CE2-CB 3.61Å; F449-L857 HydrophobicContact CE2-CD1 3.99Å; F449-L857 HydrophobicContact CE2-CG 4.47Å; F449-L857 HydrophobicContact CZ-CB 4.06Å; F449-Y861 HydrophobicContact CB-CD2 4.22Å; F449-Y861 HydrophobicContact CB-CE2 4.28Å; F449-Y861 AromaticContact CD1-CD2 3.77Å; F449-Y861 HydrophobicContact CD1-CD2 3.77Å; F449-Y861 HydrophobicContact CD1-CG 4.48Å; F449-Y861 HydrophobicContact CD2-CD2 4.31Å; F449-Y861 HydrophobicContact CE1-CD2 4.18Å; F449-Y861 AromaticContact CG-CD2 3.85Å; F449-Y861 HydrophobicContact CG-CD2 3.85Å; F449-Y861 HydrophobicContact CG-CE2 4.29Å
450	S	75.8	Confident	85	Confident	78 Å²	78	64 Å²	64	55%	0.545	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-9	179.7	64.7	0	0	0	0	115.9	E445	E445-S450 PolarHBondContact O-N 3.3Å
451	E	71.2	Confident	85.1	Confident	177 Å²	177	63.7 Å²	63.7	83%	0.827	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-16.7	176.1	-60.5	-175.8	165.4	0	0	113.2	F449 N453	F449-E451 PolarHBondContact O-N 3.42Å; E451-N453 PolarHBondContact O-N 3.41Å
452	H	65.8	Low	85.1	Confident	73 Å²	73	63.5 Å²	63.5	34%	0.338	31%	0.305	S	S	.	.			trans	-90.4	63	-178.7	-66	63.5	0	0	0	110.9	F449 D454	F449-H452 PolarHBondContact O-N 2.91Å; H452-D454 VanDerWaalsContact C-N 3.25Å; H452-D454 PolarHBondContact O-N 3.02Å
453	N	64.1	Low	85.1	Confident	123 Å²	123	57.9 Å²	57.9	66%	0.658	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-15.2	-176	-75.6	-23.7	0	0	0	114.5	E451	E451-N453 PolarHBondContact O-N 3.41Å
454	D	72.6	Confident	84.9	Confident	149 Å²	149	53.5 Å²	53.5	80%	0.797	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-11.8	-174.5	-63.3	-30.3	0	0	0	113.4	H452	H452-D454 VanDerWaalsContact C-N 3.25Å; H452-D454 PolarHBondContact O-N 3.02Å
455	E	80.5	Confident	84.5	Confident	65 Å²	65	53.6 Å²	53.6	30%	0.304	27%	0.265	S	S	.	.			trans	-106.2	132.7	176.4	-63.7	-175.2	177.7	0	0	109.5	Y861	E455-Y861 HydrophobicContact CB-CD1 3.7Å; E455-Y861 HydrophobicContact CB-CE1 3.59Å; E455-Y861 VanDerWaalsContact OE2-CD1 3.27Å; E455-Y861 WeakPolarHBondContact OE2-CD1 3.48Å
456	H	87.8	Confident	83.9	Confident	28 Å²	28	53.8 Å²	53.8	13%	0.13	27%	0.271	C	S	.	.			trans	-137.6	130.3	177.3	178	64	0	0	0	110.6	P409 Q410 T411 T412 H413 E458	P409-H456 HydrophobicContact CB-CB 3.93Å; P409-H456 HydrophobicContact CG-CB 3.81Å; Q410-H456 WeakPolarHBondContact O-CB 3.15Å; T411-H456 WeakPolarHBondContact CA-O 3.42Å; T412-H456 PolarHBondContact N-O 2.98Å; T412-H456 PolarHBondContact OG1-N 3.12Å; T412-H456 VanDerWaalsContact OG1-N 3.09Å; T412-H456 PolarHBondContact OG1-O 2.79Å; H413-H456 PolarHBondContact N-O 3.23Å; H456-E458 IonicContact CD2-OE2 3.59Å; H456-E458 IonicContact CE1-OE2 2.69Å; H456-E458 IonicContact NE2-OE2 3.89Å; H456-E458 PolarHBondContact NE2-OE2 2.8Å
457	V	92.3	Very high	83.3	Confident	6 Å²	6	53.5 Å²	53.5	4%	0.036	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	123.3	177.9	-173.9	0	0	0	0	110.2	H413 V415 F459 L860 Y861	H413-V457 HydrophobicContact CB-CG1 4.37Å; H413-V457 HydrophobicContact CB-CG2 4.1Å; H413-V457 VanDerWaalsContact O-CA 3.31Å; H413-V457 WeakPolarHBondContact O-CA 3.35Å; V415-V457 HydrophobicContact CG2-CG1 3.52Å; V457-F459 HydrophobicContact CB-CE2 4.11Å; V457-F459 HydrophobicContact CG1-CD2 4.15Å; V457-F459 HydrophobicContact CG1-CE2 3.49Å; V457-F459 VanDerWaalsContact CG1-CE2 3.49Å; V457-F459 HydrophobicContact CG1-CZ 3.84Å; V457-L860 HydrophobicContact CG1-CD1 3.99Å; V457-L860 HydrophobicContact CG2-CB 3.96Å; V457-Y861 HydrophobicContact CG2-CD1 4.12Å; V457-Y861 HydrophobicContact CG2-CE1 3.48Å; V457-Y861 VanDerWaalsContact CG2-CE1 3.48Å; V457-Y861 PolarHBondContact N-OH 3.36Å
458	E	93.8	Very high	82.7	Confident	18 Å²	18	49 Å²	49	8%	0.084	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	136.2	175.8	-165.9	56.1	-126.9	0	0	111.9	L244 T411 H413 V414 V415 H456 L460	L244-E458 WeakPolarHBondContact CD1-OE1 3.28Å; L244-E458 HydrophobicContact CD2-CG 4.25Å; T411-E458 HydrophobicContact CG2-CB 3.6Å; H413-E458 PolarHBondContact O-N 3.05Å; V414-E458 CarbonylContact C-O 3.53Å; V414-E458 WeakPolarHBondContact CA-O 3.4Å; V415-E458 PolarHBondContact N-O 2.94Å; H456-E458 IonicContact CD2-OE2 3.59Å; H456-E458 IonicContact CE1-OE2 2.69Å; H456-E458 IonicContact NE2-OE2 3.89Å; H456-E458 PolarHBondContact NE2-OE2 2.8Å; E458-L460 HydrophobicContact CG-CD2 4.26Å
459	F	95.8	Very high	82.2	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.009	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	117.6	-178.2	-66.3	-104	0	0	0	110.4	V415 V417 T434 L437 R438 V441 V457 L856 L860	V415-F459 HydrophobicContact CB-CD1 3.69Å; V415-F459 HydrophobicContact CB-CE1 3.89Å; V415-F459 HydrophobicContact CB-CG 4.21Å; V415-F459 HydrophobicContact CG1-CD1 3.77Å; V415-F459 HydrophobicContact CG1-CE1 3.81Å; V415-F459 HydrophobicContact CG2-CD1 4.27Å; V415-F459 HydrophobicContact CG2-CE1 4.01Å; V415-F459 HydrophobicContact CG2-CZ 4.23Å; V415-F459 CarbonylContact O-C 3.52Å; V415-F459 WeakPolarHBondContact O-CA 3.45Å; V417-F459 HydrophobicContact CG2-CB 4.11Å; V417-F459 HydrophobicContact CG2-CD1 4.01Å; T434-F459 HydrophobicContact CG2-CB 4.12Å; L437-F459 HydrophobicContact CD2-CD1 3.91Å; L437-F459 HydrophobicContact CD2-CE1 4.15Å; R438-F459 HydrophobicContact CG-CB 3.71Å; R438-F459 HydrophobicContact CG-CD2 4.26Å; R438-F459 HydrophobicContact CG-CG 4.27Å; V441-F459 HydrophobicContact CB-CE2 4.34Å; V441-F459 HydrophobicContact CG1-CE2 3.85Å; V441-F459 HydrophobicContact CG1-CZ 4.39Å; V441-F459 HydrophobicContact CG2-CE2 4.01Å; V441-F459 HydrophobicContact CG2-CZ 3.93Å; V457-F459 HydrophobicContact CB-CE2 4.11Å; V457-F459 HydrophobicContact CG1-CD2 4.15Å; V457-F459 HydrophobicContact CG1-CE2 3.49Å; V457-F459 VanDerWaalsContact CG1-CE2 3.49Å; V457-F459 HydrophobicContact CG1-CZ 3.84Å; F459-L856 HydrophobicContact CE1-CD1 4.25Å; F459-L860 HydrophobicContact CE1-CD1 4.42Å; F459-L860 HydrophobicContact CZ-CD1 3.91Å
460	L	96.1	Very high	81.5	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125.1	-177.5	-62	-178.1	0	0	0	111.1	L244 Y258 V414 V415 F416 V417 E458 F524	L244-L460 HydrophobicContact CD2-CD2 3.56Å; Y258-L460 HydrophobicContact CD1-CD1 4.16Å; Y258-L460 HydrophobicContact CD2-CD2 3.76Å; Y258-L460 HydrophobicContact CE1-CD1 4.14Å; Y258-L460 HydrophobicContact CE2-CD2 4.02Å; Y258-L460 HydrophobicContact CG-CD1 4.46Å; Y258-L460 HydrophobicContact CG-CD2 4.04Å; V414-L460 HydrophobicContact CG2-CD1 3.71Å; V414-L460 HydrophobicContact CG2-CG 4.04Å; V415-L460 PolarHBondContact O-N 3.36Å; F416-L460 HydrophobicContact CD1-CB 4.12Å; F416-L460 HydrophobicContact CE1-CB 4.28Å; F416-L460 HydrophobicContact CE1-CD1 3.97Å; V417-L460 PolarHBondContact N-O 2.97Å; E458-L460 HydrophobicContact CG-CD2 4.26Å; L460-F524 HydrophobicContact CD1-CB 4.44Å; L460-F524 HydrophobicContact CD1-CD2 4.07Å; L460-F524 HydrophobicContact CD1-CG 4.5Å
461	P	94.8	Very high	81.2	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.013	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	136.9	176	29	-32.6	0	0	0	110.3	W259 I430 I431 T434	W259-P461 HydrophobicContact CD2-CG 3.89Å; W259-P461 HydrophobicContact CE3-CG 3.28Å; W259-P461 VanDerWaalsContact CZ3-CD 3.49Å; W259-P461 HydrophobicContact CZ3-CG 3.67Å; I430-P461 HydrophobicContact CG1-CB 4.12Å; I430-P461 HydrophobicContact CG2-CB 4.49Å; I431-P461 HydrophobicContact CG1-CB 4.36Å; I431-P461 HydrophobicContact CG1-CG 4.24Å; T434-P461 HydrophobicContact CG2-CB 4.24Å; T434-P461 WeakPolarHBondContact OG1-CB 3.4Å
462	V	93.6	Very high	81.2	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	96.3	175.2	-173.3	0	0	0	0	108.8	F416 V417 V418 H419 W464 L513 E516 L517 L520	F416-V462 HydrophobicContact CB-CG2 3.76Å; F416-V462 HydrophobicContact CD1-CG2 4.1Å; F416-V462 HydrophobicContact CG-CG2 4.31Å; V417-V462 WeakPolarHBondContact O-CB 3.38Å; V417-V462 PolarHBondContact O-N 3.11Å; V418-V462 HydrophobicContact CG2-CB 4.06Å; V418-V462 HydrophobicContact CG2-CG1 4.39Å; V418-V462 HydrophobicContact CG2-CG2 3.98Å; H419-V462 PolarHBondContact CD2-O 3.31Å; H419-V462 VanDerWaalsContact CD2-O 3.23Å; V462-W464 PolarHBondContact O-N 2.62Å; V462-L513 HydrophobicContact CG1-CD1 3.52Å; V462-E516 HydrophobicContact CG1-CB 4.37Å; V462-E516 HydrophobicContact CG1-CG 3.9Å; V462-L517 HydrophobicContact CG1-CD2 4.08Å; V462-L517 HydrophobicContact CG1-CG 4.24Å; V462-L517 HydrophobicContact CG2-CD2 3.74Å; V462-L520 HydrophobicContact CB-CD1 4.33Å; V462-L520 HydrophobicContact CG1-CD1 4.34Å; V462-L520 HydrophobicContact CG2-CD1 3.93Å
463	E	89.4	Confident	81.6	Confident	19 Å²	19	41.9 Å²	41.9	9%	0.089	24%	0.242	C	C	.	.			trans	-90.8	89.2	176.8	-163.3	-173.8	-123.4	0	0	110.3	G428 I430 S466	G428-E463 WeakPolarHBondContact CA-OE1 3.49Å; G428-E463 PolarHBondContact N-OE1 2.95Å; I430-E463 HydrophobicContact CG2-CB 3.92Å; I430-E463 HydrophobicContact CG2-CG 4Å; E463-S466 WeakPolarHBondContact CG-OG 3.35Å; E463-S466 PolarHBondContact OE2-OG 3.4Å
464	W	86.6	Confident	82.5	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.008	23%	0.233	C	C	.	.			trans	-94.2	-29.1	-177.5	65.1	-93.6	0	0	0	112.9	H419 V462 L468 I509 L513 I549	H419-W464 AromaticContact CD2-CD1 3.88Å; H419-W464 AromaticContact CD2-NE1 3.9Å; H419-W464 AromaticContact CE1-CD1 3.47Å; H419-W464 VanDerWaalsContact CE1-CD1 3.47Å; H419-W464 AromaticContact CE1-CD2 3.94Å; H419-W464 AromaticContact CE1-CE2 3.26Å; H419-W464 AromaticContact CE1-CZ2 3.7Å; H419-W464 AromaticContact CE1-NE1 2.97Å; H419-W464 PolarHBondContact CE1-NE1 2.93Å; H419-W464 AromaticContact ND1-CE2 3.96Å; H419-W464 AromaticContact ND1-NE1 3.47Å; H419-W464 PolarHBondContact ND1-NE1 3.22Å; H419-W464 AromaticContact NE2-CD1 3.23Å; H419-W464 AromaticContact NE2-CE2 3.85Å; H419-W464 AromaticContact NE2-CG 3.85Å; H419-W464 AromaticContact NE2-NE1 3.28Å; H419-W464 PolarHBondContact NE2-NE1 2.86Å; H419-W464 PolarHBondContact O-NE1 3.24Å; V462-W464 PolarHBondContact O-N 2.62Å; W464-L468 HydrophobicContact CE3-CD1 3.57Å; W464-L468 HydrophobicContact CZ3-CD1 3.7Å; W464-L468 WeakPolarHBondContact O-CG 3.3Å; W464-I509 HydrophobicContact CE3-CG2 4.3Å; W464-I509 HydrophobicContact CH2-CG2 3.94Å; W464-I509 HydrophobicContact CZ3-CB 4.38Å; W464-I509 HydrophobicContact CZ3-CG1 4.18Å; W464-I509 HydrophobicContact CZ3-CG2 3.65Å; W464-L513 HydrophobicContact CB-CB 4.04Å; W464-L513 HydrophobicContact CB-CD1 3.87Å; W464-L513 HydrophobicContact CD2-CB 4.49Å; W464-L513 HydrophobicContact CG-CB 4.12Å; W464-L513 HydrophobicContact CG-CD1 3.86Å; W464-L513 HydrophobicContact CG-CG 4.46Å; W464-I549 HydrophobicContact CH2-CD1 4Å; W464-I549 HydrophobicContact CZ2-CD1 3.8Å
465	R	81.8	Confident	82.9	Confident	13 Å²	13	33.7 Å²	33.7	5%	0.049	20%	0.202	C	C	.	.	S	Bend	trans	-78.2	-31.7	-170.3	179.2	61.5	-174.8	89.1	-7	114.4	Q423 K467 L468 D496	Q423-R465 HydrophobicContact CB-CB 4.02Å; Q423-R465 HydrophobicContact CB-CG 4.08Å; Q423-R465 HydrophobicContact CG-CB 4.49Å; R465-K467 VanDerWaalsContact C-N 3.27Å; R465-K467 PolarHBondContact O-N 3.37Å; R465-L468 PolarHBondContact NH1-O 3.33Å; R465-L468 PolarHBondContact O-N 3.2Å; R465-D496 WeakPolarHBondContact CD-OD1 3.44Å; R465-D496 IonicContact CZ-OD1 3.5Å; R465-D496 IonicContact NE-OD1 2.75Å; R465-D496 PolarHBondContact NE-OD1 2.82Å; R465-D496 IonicContact NH2-OD1 3.8Å
466	S	76.6	Confident	83	Confident	43 Å²	43	32.8 Å²	32.8	30%	0.301	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-30.8	-177.8	57.9	0	0	0	0	112.5	E463 L468	E463-S466 WeakPolarHBondContact CG-OG 3.35Å; E463-S466 PolarHBondContact OE2-OG 3.4Å; S466-L468 VanDerWaalsContact C-N 3.35Å
467	K	73.4	Confident	82.8	Confident	117 Å²	117	36 Å²	36	51%	0.509	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-7.8	-178.4	-61	-176.7	-175.4	177.9	0	114.3	R465 E516	R465-K467 VanDerWaalsContact C-N 3.27Å; R465-K467 PolarHBondContact O-N 3.37Å; K467-E516 VanDerWaalsContact NZ-CD 3.29Å; K467-E516 IonicContact NZ-OE1 2.78Å; K467-E516 PolarHBondContact NZ-OE1 3.28Å; K467-E516 IonicContact NZ-OE2 2.84Å; K467-E516 PolarHBondContact NZ-OE2 2.96Å
468	L	75.9	Confident	82.5	Confident	21 Å²	21	41.5 Å²	41.5	11%	0.11	25%	0.252	C	S	.	.			trans	-97.7	120.3	-175.8	-65.5	179.4	0	0	0	111.4	W464 R465 S466 L470 E508 I509	W464-L468 HydrophobicContact CE3-CD1 3.57Å; W464-L468 HydrophobicContact CZ3-CD1 3.7Å; W464-L468 WeakPolarHBondContact O-CG 3.3Å; R465-L468 PolarHBondContact NH1-O 3.33Å; R465-L468 PolarHBondContact O-N 3.2Å; S466-L468 VanDerWaalsContact C-N 3.35Å; L468-L470 HydrophobicContact CB-CD2 4.06Å; L468-L470 HydrophobicContact CB-CG 4.05Å; L468-L470 HydrophobicContact CD1-CD2 4.3Å; L468-L470 PolarHBondContact O-N 2.98Å; L468-E508 HydrophobicContact CD2-CG 4.07Å; L468-I509 HydrophobicContact CD1-CB 4.44Å; L468-I509 HydrophobicContact CD1-CG1 4.07Å
469	A	73.6	Confident	82.1	Confident	79 Å²	79	41.4 Å²	41.4	65%	0.653	25%	0.253	S	S	*	.			trans	-100.2	63.8	175	0	0	0	0	0	109.9	D471	A469-D471 PolarHBondContact O-N 3.38Å
470	L	70.5	Confident	81.6	Confident	9 Å²	9	44.3 Å²	44.3	5%	0.047	27%	0.272	C	S	.	.	S	Bend	trans	-60.2	-43.7	-169.5	-60.8	174.3	0	0	0	112.9	L468 Y499 Y505 E508 I509	L468-L470 HydrophobicContact CB-CD2 4.06Å; L468-L470 HydrophobicContact CB-CG 4.05Å; L468-L470 HydrophobicContact CD1-CD2 4.3Å; L468-L470 PolarHBondContact O-N 2.98Å; L470-Y499 HydrophobicContact CB-CD1 4.37Å; L470-Y499 HydrophobicContact CB-CE1 4.31Å; L470-Y499 HydrophobicContact CB-CE2 4.45Å; L470-Y499 HydrophobicContact CD1-CD1 4.33Å; L470-Y499 HydrophobicContact CD1-CD2 3.42Å; L470-Y499 VanDerWaalsContact CD1-CD2 3.42Å; L470-Y499 HydrophobicContact CD1-CE2 3.95Å; L470-Y499 HydrophobicContact CD1-CG 3.65Å; L470-Y505 HydrophobicContact CB-CD1 4.18Å; L470-Y505 WeakPolarHBondContact O-CD1 3.49Å; L470-Y505 WeakPolarHBondContact O-CE1 3.33Å; L470-E508 HydrophobicContact CD2-CB 4.05Å; L470-E508 HydrophobicContact CD2-CG 4.13Å; L470-I509 HydrophobicContact CD1-CD1 4.01Å; L470-I509 HydrophobicContact CD1-CG1 4.04Å; L470-I509 HydrophobicContact CD2-CG1 3.94Å
471	D	68.7	Low	81.1	Confident	15 Å²	15	50.1 Å²	50.1	8%	0.08	30%	0.303	C	S	.	.	S	Bend	trans	-123	3	-168	70	-40.2	0	0	0	115.1	A469 D473 T474 V475 Y499	A469-D471 PolarHBondContact O-N 3.38Å; D471-D473 PolarHBondContact O-N 3.29Å; D471-D473 VanDerWaalsContact O-N 3.14Å; D471-T474 WeakPolarHBondContact O-CB 3.5Å; D471-T474 PolarHBondContact O-N 2.92Å; D471-T474 PolarHBondContact O-OG1 2.84Å; D471-V475 HydrophobicContact CB-CG2 4.32Å; D471-V475 WeakPolarHBondContact OD2-CB 3.41Å; D471-V475 WeakPolarHBondContact OD2-CG2 3.47Å; D471-V475 PolarHBondContact OD2-N 3.05Å; D471-Y499 HydrophobicContact CB-CE1 4.02Å; D471-Y499 WeakPolarHBondContact CB-OH 3.49Å; D471-Y499 PolarHBondContact OD1-OH 3.27Å; D471-Y499 PolarHBondContact OD2-OH 3.41Å
472	G	71.2	Confident	80.9	Confident	61 Å²	61	58.5 Å²	58.5	63%	0.629	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	41.5	-179.1	0	0	0	0	0	113.2	T474	G472-T474 PolarHBondContact O-N 2.87Å
473	D	75.3	Confident	80.7	Confident	107 Å²	107	63.2 Å²	63.2	57%	0.572	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	13.4	-176.8	-51.9	-36.6	0	0	0	115.6	D471 V475 D476 S477	D471-D473 PolarHBondContact O-N 3.29Å; D471-D473 VanDerWaalsContact O-N 3.14Å; D473-V475 VanDerWaalsContact C-N 3.33Å; D473-V475 PolarHBondContact O-N 2.97Å; D473-D476 PolarHBondContact O-N 3.49Å; D473-D476 VanDerWaalsContact O-N 3.13Å; D473-S477 PolarHBondContact O-N 3Å
474	T	81.5	Confident	80.4	Confident	79 Å²	79	67.9 Å²	67.9	49%	0.485	39%	0.385	S	S	.	.	H	α-helix	trans	-59.2	-42.7	177.6	-59.1	0	0	0	0	111.5	D471 G472 D476 S477 I478	D471-T474 WeakPolarHBondContact O-CB 3.5Å; D471-T474 PolarHBondContact O-N 2.92Å; D471-T474 PolarHBondContact O-OG1 2.84Å; G472-T474 PolarHBondContact O-N 2.87Å; T474-D476 VanDerWaalsContact C-N 3.27Å; T474-D476 PolarHBondContact O-N 2.92Å; T474-S477 PolarHBondContact O-N 3.16Å; T474-S477 PolarHBondContact O-OG 2.81Å; T474-I478 PolarHBondContact O-N 3.21Å
475	V	82.4	Confident	80.2	Confident	21 Å²	21	70.5 Å²	70.5	13%	0.127	41%	0.413	C	S	.	.	H	α-helix	trans	-62.5	-38.2	177.8	172.2	0	0	0	0	111.1	D471 D473 S477 I478 T479 M495 Y499	D471-V475 HydrophobicContact CB-CG2 4.32Å; D471-V475 WeakPolarHBondContact OD2-CB 3.41Å; D471-V475 WeakPolarHBondContact OD2-CG2 3.47Å; D471-V475 PolarHBondContact OD2-N 3.05Å; D473-V475 VanDerWaalsContact C-N 3.33Å; D473-V475 PolarHBondContact O-N 2.97Å; V475-S477 VanDerWaalsContact C-N 3.32Å; V475-S477 PolarHBondContact O-N 3.41Å; V475-I478 VanDerWaalsContact O-CG1 3.26Å; V475-I478 WeakPolarHBondContact O-CG1 3.33Å; V475-I478 PolarHBondContact O-N 3.14Å; V475-T479 WeakPolarHBondContact O-CB 3.48Å; V475-T479 PolarHBondContact O-N 2.99Å; V475-T479 VanDerWaalsContact O-N 3.1Å; V475-T479 PolarHBondContact O-OG1 3.34Å; V475-M495 HydrophobicContact CG1-CE 3.58Å; V475-M495 HydrophobicContact CG1-SD 4.2Å; V475-M495 HydrophobicContact CG2-SD 4.19Å; V475-Y499 HydrophobicContact CG2-CE1 4.4Å; V475-Y499 VanDerWaalsContact CG2-OH 3.29Å; V475-Y499 WeakPolarHBondContact CG2-OH 3.36Å
476	D	80.9	Confident	80.2	Confident	47 Å²	47	74.5 Å²	74.5	25%	0.251	43%	0.434	S	S	.	.	H	α-helix	trans	-67.9	-35.8	178.5	-62.8	-29.4	0	0	0	110.5	K424 D473 T474 I478 T479	K424-D476 IonicContact NZ-OD1 3.85Å; K424-D476 PolarHBondContact NZ-OD1 3.46Å; K424-D476 IonicContact NZ-OD2 3.97Å; K424-D476 PolarHBondContact NZ-OD2 3.42Å; D473-D476 PolarHBondContact O-N 3.49Å; D473-D476 VanDerWaalsContact O-N 3.13Å; T474-D476 VanDerWaalsContact C-N 3.27Å; T474-D476 PolarHBondContact O-N 2.92Å; D476-I478 PolarHBondContact O-N 2.9Å; D476-T479 PolarHBondContact O-N 3.12Å
477	S	84.6	Confident	80.6	Confident	95 Å²	95	77 Å²	77	66%	0.664	44%	0.437	S	S	*	.	H	α-helix	trans	-66.7	-31.4	176.3	80.6	0	0	0	0	114.5	D473 T474 V475	D473-S477 PolarHBondContact O-N 3Å; T474-S477 PolarHBondContact O-N 3.16Å; T474-S477 PolarHBondContact O-OG 2.81Å; V475-S477 VanDerWaalsContact C-N 3.32Å; V475-S477 PolarHBondContact O-N 3.41Å
478	I	84.9	Confident	81	Confident	121 Å²	121	74 Å²	74	62%	0.621	43%	0.427	S	S	*	.	H	α-helix	trans	-92.4	-5.4	177.8	65.5	172.1	0	0	0	112.7	T474 V475 D476 P480	T474-I478 PolarHBondContact O-N 3.21Å; V475-I478 VanDerWaalsContact O-CG1 3.26Å; V475-I478 WeakPolarHBondContact O-CG1 3.33Å; V475-I478 PolarHBondContact O-N 3.14Å; D476-I478 PolarHBondContact O-N 2.9Å; I478-P480 VanDerWaalsContact O-CD 3.22Å; I478-P480 WeakPolarHBondContact O-CD 3.29Å
479	T	85.5	Confident	81.1	Confident	16 Å²	16	77.2 Å²	77.2	10%	0.098	44%	0.444	C	S	.	.	S	Bend	trans	-74	116.3	-178.6	-69.6	0	0	0	0	109.9	V475 D476 R487 N491	V475-T479 WeakPolarHBondContact O-CB 3.48Å; V475-T479 PolarHBondContact O-N 2.99Å; V475-T479 VanDerWaalsContact O-N 3.1Å; V475-T479 PolarHBondContact O-OG1 3.34Å; D476-T479 PolarHBondContact O-N 3.12Å; T479-R487 HydrophobicContact CG2-CB 3.7Å; T479-R487 HydrophobicContact CG2-CG 4.42Å; T479-N491 PolarHBondContact OG1-ND2 3.4Å
480	P	86	Confident	81.2	Confident	63 Å²	63	78 Å²	78	41%	0.409	44%	0.436	S	S	.	.			trans	-65.3	142.6	-178.4	-22.2	34.1	0	0	0	112.6	I478 K482 R487	I478-P480 VanDerWaalsContact O-CD 3.22Å; I478-P480 WeakPolarHBondContact O-CD 3.29Å; P480-K482 VanDerWaalsContact C-N 3.27Å; P480-K482 PolarHBondContact O-N 3.15Å; P480-R487 VanDerWaalsContact O-CD 3.3Å; P480-R487 WeakPolarHBondContact O-CD 3.44Å
481	D	86.8	Confident	81.6	Confident	122 Å²	122	78.5 Å²	78.5	65%	0.652	44%	0.439	S	S	*	.	S	Bend	trans	-67.4	-22.3	-177.9	-65.7	-46.3	0	0	0	114.7	V483 R484	D481-V483 PolarHBondContact O-N 2.92Å; D481-R484 WeakPolarHBondContact O-CB 3.34Å; D481-R484 PolarHBondContact O-N 3.26Å; D481-R484 IonicContact OD1-CZ 3.65Å; D481-R484 IonicContact OD1-NH1 3.65Å; D481-R484 PolarHBondContact OD1-NH1 2.9Å
482	K	90.6	Very high	81.6	Confident	178 Å²	178	78.2 Å²	78.2	77%	0.774	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	128.8	175	-69.8	-175.2	-179	178.3	0	109.4	P480 R484 R487	P480-K482 VanDerWaalsContact C-N 3.27Å; P480-K482 PolarHBondContact O-N 3.15Å; K482-R484 PolarHBondContact O-N 2.85Å; K482-R487 PolarHBondContact O-NE 3.45Å; K482-R487 VanDerWaalsContact O-NE 3.12Å
483	V	88.8	Confident	81.5	Confident	100 Å²	100	77.2 Å²	77.2	61%	0.606	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	37.7	-174.4	-72.1	0	0	0	0	113.2	D481 G485 L486 R487	D481-V483 PolarHBondContact O-N 2.92Å; V483-G485 VanDerWaalsContact C-N 3.34Å; V483-G485 PolarHBondContact O-N 3.02Å; V483-L486 HydrophobicContact CB-CB 4.41Å; V483-L486 PolarHBondContact O-N 3.4Å; V483-R487 PolarHBondContact O-N 3.38Å; V483-R487 VanDerWaalsContact O-N 3.07Å
484	R	83.8	Confident	81.5	Confident	116 Å²	116	73.7 Å²	73.7	44%	0.438	41%	0.408	S	S	.	.	H	α-helix	trans	-51.9	-46.2	-179.1	-167.9	159.7	-178.8	166.1	-3.5	113.1	D481 K482 L486 R487 D488	D481-R484 WeakPolarHBondContact O-CB 3.34Å; D481-R484 PolarHBondContact O-N 3.26Å; D481-R484 IonicContact OD1-CZ 3.65Å; D481-R484 IonicContact OD1-NH1 3.65Å; D481-R484 PolarHBondContact OD1-NH1 2.9Å; K482-R484 PolarHBondContact O-N 2.85Å; R484-L486 VanDerWaalsContact C-N 3.31Å; R484-L486 PolarHBondContact O-N 2.95Å; R484-R487 CarbonylContact O-C 3.57Å; R484-R487 WeakPolarHBondContact O-CA 3.36Å; R484-R487 WeakPolarHBondContact O-CB 3.44Å; R484-R487 PolarHBondContact O-N 3.45Å; R484-D488 WeakPolarHBondContact CG-OD2 2.8Å; R484-D488 WeakPolarHBondContact O-CB 3.24Å; R484-D488 PolarHBondContact O-N 3.41Å
485	G	81.9	Confident	81.5	Confident	57 Å²	57	70.8 Å²	70.8	59%	0.588	39%	0.389	S	S	*	.	H	α-helix	trans	-57.7	-36	176.9	0	0	0	0	0	115.2	V483 L489	V483-G485 VanDerWaalsContact C-N 3.34Å; V483-G485 PolarHBondContact O-N 3.02Å; G485-L489 WeakPolarHBondContact O-CB 3.49Å; G485-L489 PolarHBondContact O-N 3.48Å
486	L	81.8	Confident	81.6	Confident	97 Å²	97	69.9 Å²	69.9	51%	0.508	38%	0.383	S	S	.	.	H	α-helix	trans	-73.4	-36.3	173.7	178.7	63	0	0	0	111.5	V483 R484 L489 L490	V483-L486 HydrophobicContact CB-CB 4.41Å; V483-L486 PolarHBondContact O-N 3.4Å; R484-L486 VanDerWaalsContact C-N 3.31Å; R484-L486 PolarHBondContact O-N 2.95Å; L486-L489 PolarHBondContact O-N 2.97Å; L486-L490 HydrophobicContact CG-CD1 4.48Å; L486-L490 WeakPolarHBondContact O-CG 3.37Å; L486-L490 PolarHBondContact O-N 3.16Å
487	R	84.9	Confident	81.8	Confident	95 Å²	95	70.6 Å²	70.6	36%	0.358	39%	0.386	S	S	.	.	H	α-helix	trans	-70	-40.9	178.4	-67.8	177.2	176.5	-79.6	-1.6	111.7	T479 P480 K482 V483 R484 L489 L490 N491	T479-R487 HydrophobicContact CG2-CB 3.7Å; T479-R487 HydrophobicContact CG2-CG 4.42Å; P480-R487 VanDerWaalsContact O-CD 3.3Å; P480-R487 WeakPolarHBondContact O-CD 3.44Å; K482-R487 PolarHBondContact O-NE 3.45Å; K482-R487 VanDerWaalsContact O-NE 3.12Å; V483-R487 PolarHBondContact O-N 3.38Å; V483-R487 VanDerWaalsContact O-N 3.07Å; R484-R487 CarbonylContact O-C 3.57Å; R484-R487 WeakPolarHBondContact O-CA 3.36Å; R484-R487 WeakPolarHBondContact O-CB 3.44Å; R484-R487 PolarHBondContact O-N 3.45Å; R487-L489 VanDerWaalsContact C-N 3.29Å; R487-L489 PolarHBondContact O-N 3.32Å; R487-L490 CarbonylContact O-C 3.49Å; R487-L490 PolarHBondContact O-N 3Å; R487-L490 VanDerWaalsContact O-N 3.1Å; R487-N491 WeakPolarHBondContact O-CB 3.08Å; R487-N491 PolarHBondContact O-N 3.03Å; R487-N491 PolarHBondContact O-OD1 2.93Å
488	D	80.7	Confident	81.8	Confident	54 Å²	54	71.3 Å²	71.3	29%	0.289	38%	0.381	S	S	.	.	H	α-helix	trans	-62.1	-41.4	174.7	-61.3	-19.4	0	0	0	110	R484 L490 N491 S492	R484-D488 WeakPolarHBondContact CG-OD2 2.8Å; R484-D488 WeakPolarHBondContact O-CB 3.24Å; R484-D488 PolarHBondContact O-N 3.41Å; D488-L490 PolarHBondContact O-N 3.39Å; D488-N491 PolarHBondContact O-N 2.9Å; D488-S492 VanDerWaalsContact O-CB 3.26Å; D488-S492 WeakPolarHBondContact O-CB 3.44Å; D488-S492 PolarHBondContact O-N 3.02Å; D488-S492 PolarHBondContact O-OG 2.88Å
489	L	78.2	Confident	81.8	Confident	90 Å²	90	66 Å²	66	47%	0.471	35%	0.353	S	S	.	.	H	α-helix	trans	-60.4	-42.1	171.9	-177.5	65.5	0	0	0	112.3	M425 G485 L486 R487 S492 S493	M425-L489 HydrophobicContact SD-CD1 4.5Å; G485-L489 WeakPolarHBondContact O-CB 3.49Å; G485-L489 PolarHBondContact O-N 3.48Å; L486-L489 PolarHBondContact O-N 2.97Å; R487-L489 VanDerWaalsContact C-N 3.29Å; R487-L489 PolarHBondContact O-N 3.32Å; L489-S492 PolarHBondContact O-OG 3.49Å; L489-S493 WeakPolarHBondContact O-CB 3.39Å; L489-S493 PolarHBondContact O-N 3.17Å; L489-S493 PolarHBondContact O-OG 2.99Å
490	L	77.3	Confident	81.9	Confident	94 Å²	94	65.4 Å²	65.4	49%	0.492	35%	0.349	S	S	.	.	H	α-helix	trans	-70.1	-42.7	177	-72.5	170.6	0	0	0	112.4	L486 R487 D488 S492 S493 A494	L486-L490 HydrophobicContact CG-CD1 4.48Å; L486-L490 WeakPolarHBondContact O-CG 3.37Å; L486-L490 PolarHBondContact O-N 3.16Å; R487-L490 CarbonylContact O-C 3.49Å; R487-L490 PolarHBondContact O-N 3Å; R487-L490 VanDerWaalsContact O-N 3.1Å; D488-L490 PolarHBondContact O-N 3.39Å; L490-S492 PolarHBondContact O-N 3.43Å; L490-S493 PolarHBondContact O-N 3.08Å; L490-A494 PolarHBondContact O-N 3.5Å
491	N	77.1	Confident	81.8	Confident	21 Å²	21	67 Å²	67	11%	0.112	35%	0.354	C	S	.	.	H	α-helix	trans	-63.7	-35	177.8	-72.9	-7	0	0	0	110.9	T479 R487 D488 M495	T479-N491 PolarHBondContact OG1-ND2 3.4Å; R487-N491 WeakPolarHBondContact O-CB 3.08Å; R487-N491 PolarHBondContact O-N 3.03Å; R487-N491 PolarHBondContact O-OD1 2.93Å; D488-N491 PolarHBondContact O-N 2.9Å; N491-M495 HydrophobicContact CB-CE 4.18Å; N491-M495 WeakPolarHBondContact O-CB 3.39Å; N491-M495 WeakPolarHBondContact OD1-CE 3.46Å
492	S	70.4	Confident	81.7	Confident	8 Å²	8	62.6 Å²	62.6	6%	0.056	33%	0.333	C	S	.	.	H	α-helix	trans	-77.5	-38.2	176.5	75.5	0	0	0	0	112.7	G422 M425 D488 L489 L490	G422-S492 CarbonylContact C-O 3.53Å; G422-S492 WeakPolarHBondContact CA-O 3.26Å; M425-S492 VanDerWaalsContact CB-CB 3.49Å; M425-S492 WeakPolarHBondContact CG-OG 2.94Å; M425-S492 WeakPolarHBondContact SD-CB 3.42Å; M425-S492 PolarHBondContact SD-OG 3.32Å; D488-S492 VanDerWaalsContact O-CB 3.26Å; D488-S492 WeakPolarHBondContact O-CB 3.44Å; D488-S492 PolarHBondContact O-N 3.02Å; D488-S492 PolarHBondContact O-OG 2.88Å; L489-S492 PolarHBondContact O-OG 3.49Å; L490-S492 PolarHBondContact O-N 3.43Å
493	S	68.6	Low	81	Confident	40 Å²	40	58.1 Å²	58.1	28%	0.28	32%	0.321	S	S	.	.	H	α-helix	trans	-90.6	-31.2	-170.3	63.7	0	0	0	0	115.1	I421 L489 L490	I421-S493 VanDerWaalsContact CB-O 3.23Å; I421-S493 WeakPolarHBondContact CB-O 3.34Å; I421-S493 WeakPolarHBondContact CD1-O 3.4Å; I421-S493 WeakPolarHBondContact CG1-O 3.4Å; L489-S493 WeakPolarHBondContact O-CB 3.39Å; L489-S493 PolarHBondContact O-N 3.17Å; L489-S493 PolarHBondContact O-OG 2.99Å; L490-S493 PolarHBondContact O-N 3.08Å
494	A	75.1	Confident	80.5	Confident	34 Å²	34	60 Å²	60	28%	0.281	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-11	-170.3	0	0	0	0	0	114.5	L490 D496 I497	L490-A494 PolarHBondContact O-N 3.5Å; A494-D496 PolarHBondContact O-N 2.91Å; A494-I497 WeakPolarHBondContact O-CB 3.18Å; A494-I497 PolarHBondContact O-N 2.8Å
495	M	81.5	Confident	80.5	Confident	18 Å²	18	57.8 Å²	57.8	9%	0.089	32%	0.319	C	S	.	.	H	α-helix	trans	-63.9	-30.7	-179.5	-167	69.2	51.1	0	0	112.9	V475 N491 I497 M498 Y499	V475-M495 HydrophobicContact CG1-CE 3.58Å; V475-M495 HydrophobicContact CG1-SD 4.2Å; V475-M495 HydrophobicContact CG2-SD 4.19Å; N491-M495 HydrophobicContact CB-CE 4.18Å; N491-M495 WeakPolarHBondContact O-CB 3.39Å; N491-M495 WeakPolarHBondContact OD1-CE 3.46Å; M495-I497 PolarHBondContact O-N 2.82Å; M495-I497 VanDerWaalsContact O-N 3.14Å; M495-M498 HydrophobicContact CE-CE 3.4Å; M495-M498 VanDerWaalsContact CE-CE 3.4Å; M495-M498 HydrophobicContact CG-CE 4.49Å; M495-M498 WeakPolarHBondContact O-CA 3.25Å; M495-M498 WeakPolarHBondContact O-CB 3.44Å; M495-M498 PolarHBondContact O-N 3.11Å; M495-M498 HydrophobicContact SD-CB 4.32Å; M495-M498 HydrophobicContact SD-CE 3.35Å; M495-M498 WeakPolarHBondContact SD-CE 3.35Å; M495-M498 HydrophobicContact SD-SD 4.41Å; M495-Y499 HydrophobicContact CB-CD2 4.38Å; M495-Y499 HydrophobicContact CB-CE2 4.06Å; M495-Y499 HydrophobicContact CG-CD2 3.68Å; M495-Y499 HydrophobicContact CG-CE1 4.25Å; M495-Y499 HydrophobicContact CG-CE2 3.15Å; M495-Y499 HydrophobicContact CG-CG 4.4Å; M495-Y499 VanDerWaalsContact CG-CZ 3.47Å; M495-Y499 WeakPolarHBondContact O-CD2 3.27Å; M495-Y499 PolarHBondContact O-N 3.02Å; M495-Y499 HydrophobicContact SD-CE2 4.43Å
496	D	83.7	Confident	80.6	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-56.2	-32.1	176.7	-63.8	-25.4	0	0	0	112.1	I421 G422 R465 A494 Y500 L545	I421-D496 WeakPolarHBondContact CA-OD2 3.43Å; I421-D496 HydrophobicContact CB-CB 4.22Å; I421-D496 HydrophobicContact CG2-CB 4.03Å; G422-D496 PolarHBondContact N-OD2 2.99Å; R465-D496 WeakPolarHBondContact CD-OD1 3.44Å; R465-D496 IonicContact CZ-OD1 3.5Å; R465-D496 IonicContact NE-OD1 2.75Å; R465-D496 PolarHBondContact NE-OD1 2.82Å; R465-D496 IonicContact NH2-OD1 3.8Å; A494-D496 PolarHBondContact O-N 2.91Å; D496-Y500 WeakPolarHBondContact O-CB 3.44Å; D496-Y500 PolarHBondContact O-N 3.48Å; D496-L545 HydrophobicContact CB-CD2 4.26Å
497	I	85.2	Confident	80.8	Confident	62 Å²	62	55 Å²	55	32%	0.318	29%	0.291	S	S	.	.	H	α-helix	trans	-67	-43.9	173.9	-53.5	-178.9	0	0	0	110.6	I421 A494 M495 Y500 N501 L545	I421-I497 HydrophobicContact CD1-CD1 4.11Å; I421-I497 HydrophobicContact CG2-CD1 4.27Å; I421-I497 HydrophobicContact CG2-CG1 3.65Å; A494-I497 WeakPolarHBondContact O-CB 3.18Å; A494-I497 PolarHBondContact O-N 2.8Å; M495-I497 PolarHBondContact O-N 2.82Å; M495-I497 VanDerWaalsContact O-N 3.14Å; I497-Y500 PolarHBondContact O-N 2.92Å; I497-N501 WeakPolarHBondContact O-CB 3.32Å; I497-N501 VanDerWaalsContact O-CG 3.28Å; I497-N501 PolarHBondContact O-N 3.02Å; I497-N501 PolarHBondContact O-ND2 3.2Å; I497-L545 HydrophobicContact CG1-CD2 4.32Å
498	M	84.3	Confident	80.9	Confident	111 Å²	111	53.9 Å²	53.9	55%	0.547	29%	0.29	S	S	.	.	H	α-helix	trans	-68.1	-41.9	-179.5	-69.6	-170.1	-82	0	0	111.5	M495 N501 S502	M495-M498 HydrophobicContact CE-CE 3.4Å; M495-M498 VanDerWaalsContact CE-CE 3.4Å; M495-M498 HydrophobicContact CG-CE 4.49Å; M495-M498 WeakPolarHBondContact O-CA 3.25Å; M495-M498 WeakPolarHBondContact O-CB 3.44Å; M495-M498 PolarHBondContact O-N 3.11Å; M495-M498 HydrophobicContact SD-CB 4.32Å; M495-M498 HydrophobicContact SD-CE 3.35Å; M495-M498 WeakPolarHBondContact SD-CE 3.35Å; M495-M498 HydrophobicContact SD-SD 4.41Å; M498-N501 PolarHBondContact O-N 3.14Å; M498-S502 PolarHBondContact O-N 2.74Å; M498-S502 VanDerWaalsContact O-N 3.09Å
499	Y	86.3	Confident	81.3	Confident	9 Å²	9	51.3 Å²	51.3	4%	0.035	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-46.5	174.3	-67.4	-51	0	0	0	111.6	L470 D471 V475 M495 N501 S502 Y505	L470-Y499 HydrophobicContact CB-CD1 4.37Å; L470-Y499 HydrophobicContact CB-CE1 4.31Å; L470-Y499 HydrophobicContact CB-CE2 4.45Å; L470-Y499 HydrophobicContact CD1-CD1 4.33Å; L470-Y499 HydrophobicContact CD1-CD2 3.42Å; L470-Y499 VanDerWaalsContact CD1-CD2 3.42Å; L470-Y499 HydrophobicContact CD1-CE2 3.95Å; L470-Y499 HydrophobicContact CD1-CG 3.65Å; D471-Y499 HydrophobicContact CB-CE1 4.02Å; D471-Y499 WeakPolarHBondContact CB-OH 3.49Å; D471-Y499 PolarHBondContact OD1-OH 3.27Å; D471-Y499 PolarHBondContact OD2-OH 3.41Å; V475-Y499 HydrophobicContact CG2-CE1 4.4Å; V475-Y499 VanDerWaalsContact CG2-OH 3.29Å; V475-Y499 WeakPolarHBondContact CG2-OH 3.36Å; M495-Y499 HydrophobicContact CB-CD2 4.38Å; M495-Y499 HydrophobicContact CB-CE2 4.06Å; M495-Y499 HydrophobicContact CG-CD2 3.68Å; M495-Y499 HydrophobicContact CG-CE1 4.25Å; M495-Y499 HydrophobicContact CG-CE2 3.15Å; M495-Y499 HydrophobicContact CG-CG 4.4Å; M495-Y499 VanDerWaalsContact CG-CZ 3.47Å; M495-Y499 WeakPolarHBondContact O-CD2 3.27Å; M495-Y499 PolarHBondContact O-N 3.02Å; M495-Y499 HydrophobicContact SD-CE2 4.43Å; Y499-N501 VanDerWaalsContact C-N 3.31Å; Y499-N501 PolarHBondContact O-N 3.22Å; Y499-S502 VanDerWaalsContact O-CB 3.29Å; Y499-S502 WeakPolarHBondContact O-CB 3.5Å; Y499-S502 PolarHBondContact O-N 2.79Å; Y499-Y505 AromaticContact CD1-CD2 3.52Å; Y499-Y505 HydrophobicContact CD1-CD2 3.52Å; Y499-Y505 AromaticContact CD1-CE2 3.89Å; Y499-Y505 HydrophobicContact CD1-CE2 3.89Å; Y499-Y505 AromaticContact CD1-CG 3.95Å; Y499-Y505 HydrophobicContact CD1-CG 3.95Å; Y499-Y505 HydrophobicContact CE1-CD2 4.24Å; Y499-Y505 HydrophobicContact CE1-CE2 4.17Å; Y499-Y505 HydrophobicContact CG-CD2 4.46Å
500	Y	87.4	Confident	81.8	Confident	4 Å²	4	48 Å²	48	2%	0.016	26%	0.26	C	S	.	.	H	α-helix	trans	-66.7	-32.2	-179.3	175	-101.7	0	0	0	113.3	D496 I497 S502 R506 I509 T510 L545 V548 I549 D552 F635 R639	D496-Y500 WeakPolarHBondContact O-CB 3.44Å; D496-Y500 PolarHBondContact O-N 3.48Å; I497-Y500 PolarHBondContact O-N 2.92Å; Y500-S502 VanDerWaalsContact C-N 3.26Å; Y500-S502 PolarHBondContact O-N 3.49Å; Y500-R506 HydrophobicContact CD2-CG 4.02Å; Y500-R506 HydrophobicContact CE2-CG 4.03Å; Y500-R506 WeakPolarHBondContact O-CB 3.49Å; Y500-I509 HydrophobicContact CD2-CG2 4.33Å; Y500-T510 HydrophobicContact CE2-CG2 4.4Å; Y500-L545 HydrophobicContact CD1-CD1 3.86Å; Y500-L545 HydrophobicContact CE1-CD1 4.15Å; Y500-L545 HydrophobicContact CG-CD1 4.45Å; Y500-V548 HydrophobicContact CE1-CG1 4.15Å; Y500-V548 WeakPolarHBondContact OH-CG1 3.44Å; Y500-I549 HydrophobicContact CD2-CD1 4.39Å; Y500-I549 HydrophobicContact CD2-CG1 3.84Å; Y500-I549 HydrophobicContact CE2-CB 4.44Å; Y500-I549 HydrophobicContact CE2-CG1 3.73Å; Y500-I549 HydrophobicContact CG-CG1 4.44Å; Y500-D552 PolarHBondContact OH-OD2 3.23Å; Y500-F635 HydrophobicContact CE1-CE1 4.05Å; Y500-R639 PolarHBondContact OH-NH2 3.5Å
501	N	84.7	Confident	82.4	Confident	97 Å²	97	49.7 Å²	49.7	52%	0.519	26%	0.263	S	S	.	.	H	α-helix	trans	-75.6	-14.4	172.3	-73.5	-22	0	0	0	113.3	I497 M498 Y499 P503	I497-N501 WeakPolarHBondContact O-CB 3.32Å; I497-N501 VanDerWaalsContact O-CG 3.28Å; I497-N501 PolarHBondContact O-N 3.02Å; I497-N501 PolarHBondContact O-ND2 3.2Å; M498-N501 PolarHBondContact O-N 3.14Å; Y499-N501 VanDerWaalsContact C-N 3.31Å; Y499-N501 PolarHBondContact O-N 3.22Å; N501-P503 WeakPolarHBondContact O-CD 3.4Å
502	S	83.1	Confident	83	Confident	29 Å²	29	49.3 Å²	49.3	20%	0.203	26%	0.264	C	S	.	.	S	Bend	trans	-82.1	122.1	174.3	179.2	0	0	0	0	109.7	M498 Y499 Y500 L504 Y505 R506	M498-S502 PolarHBondContact O-N 2.74Å; M498-S502 VanDerWaalsContact O-N 3.09Å; Y499-S502 VanDerWaalsContact O-CB 3.29Å; Y499-S502 WeakPolarHBondContact O-CB 3.5Å; Y499-S502 PolarHBondContact O-N 2.79Å; Y500-S502 VanDerWaalsContact C-N 3.26Å; Y500-S502 PolarHBondContact O-N 3.49Å; S502-L504 PolarHBondContact O-N 3.03Å; S502-L504 VanDerWaalsContact O-N 3.08Å; S502-L504 PolarHBondContact OG-N 3.15Å; S502-Y505 PolarHBondContact O-N 2.97Å; S502-R506 WeakPolarHBondContact O-CB 3.27Å; S502-R506 PolarHBondContact O-N 2.86Å
503	P	77.2	Confident	84.1	Confident	83 Å²	83	49 Å²	49	54%	0.539	26%	0.261	S	S	.	.	H	α-helix	trans	-55.7	-28.2	175	-25.6	34.8	0	0	0	113.4	N501 V560	N501-P503 WeakPolarHBondContact O-CD 3.4Å; P503-V560 HydrophobicContact CB-CG2 4.35Å
504	L	77.1	Confident	85.3	Confident	139 Å²	139	48.1 Å²	48.1	73%	0.728	26%	0.255	S	S	*	.	H	α-helix	trans	-67.3	-40.1	-179.5	-62.2	174	0	0	0	112.9	S502	S502-L504 PolarHBondContact O-N 3.03Å; S502-L504 VanDerWaalsContact O-N 3.08Å; S502-L504 PolarHBondContact OG-N 3.15Å
505	Y	83.2	Confident	86.2	Confident	70 Å²	70	51.7 Å²	51.7	28%	0.275	27%	0.265	S	S	.	.	H	α-helix	trans	-103.5	-16.7	-172.3	-57.5	-60.5	0	0	0	112.8	L470 Y499 S502 D507 E508 I509	L470-Y505 HydrophobicContact CB-CD1 4.18Å; L470-Y505 WeakPolarHBondContact O-CD1 3.49Å; L470-Y505 WeakPolarHBondContact O-CE1 3.33Å; Y499-Y505 AromaticContact CD1-CD2 3.52Å; Y499-Y505 HydrophobicContact CD1-CD2 3.52Å; Y499-Y505 AromaticContact CD1-CE2 3.89Å; Y499-Y505 HydrophobicContact CD1-CE2 3.89Å; Y499-Y505 AromaticContact CD1-CG 3.95Å; Y499-Y505 HydrophobicContact CD1-CG 3.95Å; Y499-Y505 HydrophobicContact CE1-CD2 4.24Å; Y499-Y505 HydrophobicContact CE1-CE2 4.17Å; Y499-Y505 HydrophobicContact CG-CD2 4.46Å; S502-Y505 PolarHBondContact O-N 2.97Å; Y505-D507 VanDerWaalsContact C-N 3.33Å; Y505-D507 PolarHBondContact O-N 2.67Å; Y505-E508 PolarHBondContact O-N 3.48Å; Y505-I509 WeakPolarHBondContact O-CG1 3.49Å; Y505-I509 PolarHBondContact O-N 3.28Å
506	R	85.9	Confident	86.8	Confident	12 Å²	12	51.3 Å²	51.3	5%	0.045	26%	0.263	C	S	.	.	H	α-helix	trans	-58.5	-43.9	179.3	-175.6	177.8	177.8	-79.4	-6.6	112.6	Y500 S502 E508 I509 T510 D552 W557 D558	Y500-R506 HydrophobicContact CD2-CG 4.02Å; Y500-R506 HydrophobicContact CE2-CG 4.03Å; Y500-R506 WeakPolarHBondContact O-CB 3.49Å; S502-R506 WeakPolarHBondContact O-CB 3.27Å; S502-R506 PolarHBondContact O-N 2.86Å; R506-E508 VanDerWaalsContact C-N 3.31Å; R506-E508 PolarHBondContact O-N 3.42Å; R506-I509 PolarHBondContact O-N 3.07Å; R506-T510 HydrophobicContact CG-CG2 4.4Å; R506-T510 WeakPolarHBondContact O-CB 3.47Å; R506-T510 WeakPolarHBondContact O-CG2 3.17Å; R506-T510 PolarHBondContact O-N 2.8Å; R506-T510 PolarHBondContact O-OG1 3.16Å; R506-D552 IonicContact CZ-OD2 3.46Å; R506-D552 IonicContact NE-OD2 3.59Å; R506-D552 IonicContact NH2-OD2 3.37Å; R506-D552 PolarHBondContact NH2-OD2 3.06Å; R506-W557 PolarHBondContact NH1-O 3.14Å; R506-W557 PolarHBondContact NH2-O 3.43Å; R506-D558 IonicContact NH1-OD1 3.4Å
507	D	84.2	Confident	87.4	Confident	84 Å²	84	51.2 Å²	51.2	45%	0.449	26%	0.263	S	S	.	.	H	α-helix	trans	-65.3	-39	-179.5	-69.7	-8.6	0	0	0	111	Y505 T510 K511	Y505-D507 VanDerWaalsContact C-N 3.33Å; Y505-D507 PolarHBondContact O-N 2.67Å; D507-T510 WeakPolarHBondContact CA-OG1 3.29Å; D507-T510 PolarHBondContact O-OG1 3.27Å; D507-T510 VanDerWaalsContact O-OG1 3.11Å; D507-K511 WeakPolarHBondContact O-CB 3.15Å; D507-K511 PolarHBondContact O-N 3.43Å
508	E	86.9	Confident	87.9	Confident	71 Å²	71	49.3 Å²	49.3	33%	0.332	25%	0.253	S	S	.	.	H	α-helix	trans	-64.9	-43.5	175.3	-158.2	-171.8	147.3	0	0	111.8	L468 L470 Y505 R506 G512	L468-E508 HydrophobicContact CD2-CG 4.07Å; L470-E508 HydrophobicContact CD2-CB 4.05Å; L470-E508 HydrophobicContact CD2-CG 4.13Å; Y505-E508 PolarHBondContact O-N 3.48Å; R506-E508 VanDerWaalsContact C-N 3.31Å; R506-E508 PolarHBondContact O-N 3.42Å; E508-G512 PolarHBondContact O-N 3.16Å
509	I	89.4	Confident	88.4	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-50.1	177.3	-71.2	169.3	0	0	0	111.6	W464 L468 L470 Y500 Y505 R506 G512 L513 I549	W464-I509 HydrophobicContact CE3-CG2 4.3Å; W464-I509 HydrophobicContact CH2-CG2 3.94Å; W464-I509 HydrophobicContact CZ3-CB 4.38Å; W464-I509 HydrophobicContact CZ3-CG1 4.18Å; W464-I509 HydrophobicContact CZ3-CG2 3.65Å; L468-I509 HydrophobicContact CD1-CB 4.44Å; L468-I509 HydrophobicContact CD1-CG1 4.07Å; L470-I509 HydrophobicContact CD1-CD1 4.01Å; L470-I509 HydrophobicContact CD1-CG1 4.04Å; L470-I509 HydrophobicContact CD2-CG1 3.94Å; Y500-I509 HydrophobicContact CD2-CG2 4.33Å; Y505-I509 WeakPolarHBondContact O-CG1 3.49Å; Y505-I509 PolarHBondContact O-N 3.28Å; R506-I509 PolarHBondContact O-N 3.07Å; I509-G512 PolarHBondContact O-N 3.5Å; I509-L513 PolarHBondContact O-N 2.89Å; I509-I549 HydrophobicContact CG2-CD1 3.8Å; I509-I549 HydrophobicContact CG2-CG1 4.44Å; I509-I549 HydrophobicContact CG2-CG2 4.13Å
510	T	89.8	Confident	88.9	Confident	22 Å²	22	47.8 Å²	47.8	14%	0.135	24%	0.242	C	C	.	.	H	α-helix	trans	-66	-41.8	-178.4	50	0	0	0	0	111.3	Y500 R506 D507 T514 I549	Y500-T510 HydrophobicContact CE2-CG2 4.4Å; R506-T510 HydrophobicContact CG-CG2 4.4Å; R506-T510 WeakPolarHBondContact O-CB 3.47Å; R506-T510 WeakPolarHBondContact O-CG2 3.17Å; R506-T510 PolarHBondContact O-N 2.8Å; R506-T510 PolarHBondContact O-OG1 3.16Å; D507-T510 WeakPolarHBondContact CA-OG1 3.29Å; D507-T510 PolarHBondContact O-OG1 3.27Å; D507-T510 VanDerWaalsContact O-OG1 3.11Å; T510-T514 WeakPolarHBondContact O-CB 3.43Å; T510-T514 PolarHBondContact O-N 3.18Å; T510-T514 PolarHBondContact O-OG1 3.4Å; T510-I549 HydrophobicContact CG2-CG2 4.1Å
511	K	88.7	Confident	89.3	Confident	129 Å²	129	48.6 Å²	48.6	56%	0.561	25%	0.245	S	C	*	.	H	α-helix	trans	-63	-47.3	173.8	-177.1	176.7	171.6	-177.2	0	111.7	D507 L513 T514 E515	D507-K511 WeakPolarHBondContact O-CB 3.15Å; D507-K511 PolarHBondContact O-N 3.43Å; K511-L513 PolarHBondContact O-N 2.85Å; K511-T514 WeakPolarHBondContact O-CB 3.1Å; K511-T514 PolarHBondContact O-N 3.02Å; K511-T514 VanDerWaalsContact O-N 3.16Å; K511-E515 WeakPolarHBondContact CE-OE1 3.49Å; K511-E515 HydrophobicContact CG-CG 4.26Å; K511-E515 IonicContact NZ-OE1 3.76Å; K511-E515 WeakPolarHBondContact O-CB 3.37Å; K511-E515 WeakPolarHBondContact O-CG 3.39Å; K511-E515 PolarHBondContact O-N 3.42Å
512	G	90.6	Very high	89.8	Confident	13 Å²	13	46.1 Å²	46.1	13%	0.134	24%	0.235	C	C	.	.	H	α-helix	trans	-59	-45.3	179.4	0	0	0	0	0	113.1	E508 I509 E516	E508-G512 PolarHBondContact O-N 3.16Å; I509-G512 PolarHBondContact O-N 3.5Å; G512-E516 WeakPolarHBondContact O-CB 3.36Å; G512-E516 PolarHBondContact O-N 3.15Å
513	L	93.3	Very high	90.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.1	-40	175	176	57.6	0	0	0	112.1	V418 V462 W464 I509 K511 E516 L517 I549 I553	V418-L513 HydrophobicContact CG1-CD1 4.01Å; V418-L513 HydrophobicContact CG1-CD2 3.97Å; V418-L513 HydrophobicContact CG2-CD1 4.3Å; V462-L513 HydrophobicContact CG1-CD1 3.52Å; W464-L513 HydrophobicContact CB-CB 4.04Å; W464-L513 HydrophobicContact CB-CD1 3.87Å; W464-L513 HydrophobicContact CD2-CB 4.49Å; W464-L513 HydrophobicContact CG-CB 4.12Å; W464-L513 HydrophobicContact CG-CD1 3.86Å; W464-L513 HydrophobicContact CG-CG 4.46Å; I509-L513 PolarHBondContact O-N 2.89Å; K511-L513 PolarHBondContact O-N 2.85Å; L513-E516 PolarHBondContact O-N 3.38Å; L513-L517 HydrophobicContact CD1-CD1 4.04Å; L513-L517 HydrophobicContact CD1-CG 4.05Å; L513-L517 HydrophobicContact CG-CD1 4.06Å; L513-L517 WeakPolarHBondContact O-CB 3.43Å; L513-L517 WeakPolarHBondContact O-CG 3.48Å; L513-L517 PolarHBondContact O-N 2.71Å; L513-I549 HydrophobicContact CD2-CB 4.08Å; L513-I549 HydrophobicContact CD2-CG2 3.63Å; L513-I553 HydrophobicContact CB-CD1 3.84Å; L513-I553 HydrophobicContact CD2-CD1 3.63Å; L513-I553 HydrophobicContact CG-CD1 3.63Å
514	T	94.4	Very high	91.2	Very high	22 Å²	22	42.8 Å²	42.8	14%	0.135	21%	0.21	C	C	.	.	H	α-helix	trans	-62.8	-47.1	177.7	-58.9	0	0	0	0	111.7	T510 K511 E516 L517 N518 I553 A617 L618	T510-T514 WeakPolarHBondContact O-CB 3.43Å; T510-T514 PolarHBondContact O-N 3.18Å; T510-T514 PolarHBondContact O-OG1 3.4Å; K511-T514 WeakPolarHBondContact O-CB 3.1Å; K511-T514 PolarHBondContact O-N 3.02Å; K511-T514 VanDerWaalsContact O-N 3.16Å; T514-E516 VanDerWaalsContact C-N 3.32Å; T514-E516 PolarHBondContact O-N 3.38Å; T514-L517 PolarHBondContact O-N 3.36Å; T514-N518 WeakPolarHBondContact O-CB 3.32Å; T514-N518 PolarHBondContact O-N 3.17Å; T514-N518 PolarHBondContact O-ND2 2.96Å; T514-I553 HydrophobicContact CG2-CG2 4.39Å; T514-I553 WeakPolarHBondContact OG1-CD1 3.45Å; T514-I553 WeakPolarHBondContact OG1-CG1 3.21Å; T514-I553 WeakPolarHBondContact OG1-CG2 3.28Å; T514-A617 HydrophobicContact CG2-CB 4.21Å; T514-A617 WeakPolarHBondContact CG2-O 3.12Å; T514-L618 HydrophobicContact CG2-CD2 4.47Å
515	E	93.1	Very high	92	Very high	109 Å²	109	37.2 Å²	37.2	51%	0.509	18%	0.182	S	C	.	.	H	α-helix	trans	-61.6	-41.9	177.3	-74.1	178	171.1	0	0	111.1	K511 N518 R519	K511-E515 WeakPolarHBondContact CE-OE1 3.49Å; K511-E515 HydrophobicContact CG-CG 4.26Å; K511-E515 IonicContact NZ-OE1 3.76Å; K511-E515 WeakPolarHBondContact O-CB 3.37Å; K511-E515 WeakPolarHBondContact O-CG 3.39Å; K511-E515 PolarHBondContact O-N 3.42Å; E515-N518 PolarHBondContact O-N 3.35Å; E515-R519 VanDerWaalsContact O-CB 3.24Å; E515-R519 WeakPolarHBondContact O-CB 3.31Å; E515-R519 PolarHBondContact O-N 3.01Å
516	E	94.1	Very high	92.5	Very high	10 Å²	10	37.6 Å²	37.6	5%	0.047	20%	0.196	C	C	.	.	H	α-helix	trans	-67.7	-43.9	179.6	-173.3	60	-171.7	0	0	112.7	V462 K467 G512 L513 T514 N518 R519 L520	V462-E516 HydrophobicContact CG1-CB 4.37Å; V462-E516 HydrophobicContact CG1-CG 3.9Å; K467-E516 VanDerWaalsContact NZ-CD 3.29Å; K467-E516 IonicContact NZ-OE1 2.78Å; K467-E516 PolarHBondContact NZ-OE1 3.28Å; K467-E516 IonicContact NZ-OE2 2.84Å; K467-E516 PolarHBondContact NZ-OE2 2.96Å; G512-E516 WeakPolarHBondContact O-CB 3.36Å; G512-E516 PolarHBondContact O-N 3.15Å; L513-E516 PolarHBondContact O-N 3.38Å; T514-E516 VanDerWaalsContact C-N 3.32Å; T514-E516 PolarHBondContact O-N 3.38Å; E516-N518 VanDerWaalsContact C-N 3.33Å; E516-N518 PolarHBondContact O-N 3.4Å; E516-R519 PolarHBondContact O-N 3.31Å; E516-R519 IonicContact OE1-CZ 3.75Å; E516-R519 IonicContact OE1-NE 2.78Å; E516-R519 PolarHBondContact OE1-NE 3.43Å; E516-R519 IonicContact OE1-NH2 3.18Å; E516-R519 PolarHBondContact OE1-NH2 3.33Å; E516-R519 IonicContact OE2-CZ 3.36Å; E516-R519 IonicContact OE2-NE 2.81Å; E516-R519 PolarHBondContact OE2-NE 2.97Å; E516-R519 IonicContact OE2-NH2 3.91Å; E516-L520 HydrophobicContact CG-CD1 4.2Å; E516-L520 WeakPolarHBondContact O-CB 3.08Å; E516-L520 VanDerWaalsContact O-CG 3.3Å; E516-L520 WeakPolarHBondContact O-CG 3.29Å; E516-L520 PolarHBondContact O-N 3.48Å
517	L	96	Very high	92.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.3	-46.5	173.7	-75.4	168.3	0	0	0	111.4	F416 V418 V462 L513 T514 L520 Y521 L618 F620	F416-L517 HydrophobicContact CB-CD2 3.73Å; F416-L517 HydrophobicContact CD1-CD2 4.39Å; F416-L517 HydrophobicContact CD2-CD2 4.15Å; F416-L517 HydrophobicContact CG-CD2 3.83Å; V418-L517 HydrophobicContact CG2-CD2 4.33Å; V462-L517 HydrophobicContact CG1-CD2 4.08Å; V462-L517 HydrophobicContact CG1-CG 4.24Å; V462-L517 HydrophobicContact CG2-CD2 3.74Å; L513-L517 HydrophobicContact CD1-CD1 4.04Å; L513-L517 HydrophobicContact CD1-CG 4.05Å; L513-L517 HydrophobicContact CG-CD1 4.06Å; L513-L517 WeakPolarHBondContact O-CB 3.43Å; L513-L517 WeakPolarHBondContact O-CG 3.48Å; L513-L517 PolarHBondContact O-N 2.71Å; T514-L517 PolarHBondContact O-N 3.36Å; L517-L520 PolarHBondContact O-N 3.48Å; L517-Y521 WeakPolarHBondContact O-CB 3.34Å; L517-Y521 PolarHBondContact O-N 3.48Å; L517-L618 HydrophobicContact CB-CD2 4.09Å; L517-L618 HydrophobicContact CD1-CD2 3.88Å; L517-F620 HydrophobicContact CB-CE1 4.42Å; L517-F620 HydrophobicContact CB-CZ 4.39Å
518	N	96.2	Very high	92.9	Very high	21 Å²	21	39.6 Å²	39.6	11%	0.112	20%	0.2	C	C	.	.	H	α-helix	trans	-68.3	-36.2	179.6	-75.6	-29.7	0	0	0	112.7	T514 E515 E516 S522 A617 L618 K619	T514-N518 WeakPolarHBondContact O-CB 3.32Å; T514-N518 PolarHBondContact O-N 3.17Å; T514-N518 PolarHBondContact O-ND2 2.96Å; E515-N518 PolarHBondContact O-N 3.35Å; E516-N518 VanDerWaalsContact C-N 3.33Å; E516-N518 PolarHBondContact O-N 3.4Å; N518-S522 WeakPolarHBondContact O-CB 3.43Å; N518-S522 PolarHBondContact O-N 3.31Å; N518-S522 PolarHBondContact O-OG 3.08Å; N518-A617 PolarHBondContact ND2-O 3.2Å; N518-L618 WeakPolarHBondContact OD1-CA 3.42Å; N518-K619 HydrophobicContact CB-CD 4.23Å; N518-K619 HydrophobicContact CB-CG 4.36Å; N518-K619 PolarHBondContact OD1-N 3.41Å
519	R	95.1	Very high	93.1	Very high	89 Å²	89	40.9 Å²	40.9	34%	0.336	22%	0.215	S	C	.	.	H	α-helix	trans	-62.6	-50.7	174.4	-175.1	-166.2	73.7	83.8	-0.7	110.2	Y258 E515 E516 S522 L523	Y258-R519 PolarHBondContact O-NH2 2.93Å; E515-R519 VanDerWaalsContact O-CB 3.24Å; E515-R519 WeakPolarHBondContact O-CB 3.31Å; E515-R519 PolarHBondContact O-N 3.01Å; E516-R519 PolarHBondContact O-N 3.31Å; E516-R519 IonicContact OE1-CZ 3.75Å; E516-R519 IonicContact OE1-NE 2.78Å; E516-R519 PolarHBondContact OE1-NE 3.43Å; E516-R519 IonicContact OE1-NH2 3.18Å; E516-R519 PolarHBondContact OE1-NH2 3.33Å; E516-R519 IonicContact OE2-CZ 3.36Å; E516-R519 IonicContact OE2-NE 2.81Å; E516-R519 PolarHBondContact OE2-NE 2.97Å; E516-R519 IonicContact OE2-NH2 3.91Å; R519-S522 PolarHBondContact O-N 3.22Å; R519-L523 VanDerWaalsContact O-CB 3.29Å; R519-L523 WeakPolarHBondContact O-CB 3.48Å; R519-L523 PolarHBondContact O-N 3.23Å
520	L	95.8	Very high	93.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.4	-44.6	179.6	-71.2	172.4	0	0	0	111.6	Y258 F416 V462 E516 L517 L523 F524	Y258-L520 HydrophobicContact CD1-CD2 3.97Å; Y258-L520 HydrophobicContact CG-CD2 4.39Å; Y258-L520 WeakPolarHBondContact O-CD2 3.5Å; F416-L520 HydrophobicContact CD1-CB 4.33Å; F416-L520 HydrophobicContact CD1-CD1 4.32Å; F416-L520 HydrophobicContact CE1-CB 3.63Å; F416-L520 HydrophobicContact CE1-CD1 4.41Å; F416-L520 HydrophobicContact CZ-CB 4.32Å; V462-L520 HydrophobicContact CB-CD1 4.33Å; V462-L520 HydrophobicContact CG1-CD1 4.34Å; V462-L520 HydrophobicContact CG2-CD1 3.93Å; E516-L520 HydrophobicContact CG-CD1 4.2Å; E516-L520 WeakPolarHBondContact O-CB 3.08Å; E516-L520 VanDerWaalsContact O-CG 3.3Å; E516-L520 WeakPolarHBondContact O-CG 3.29Å; E516-L520 PolarHBondContact O-N 3.48Å; L517-L520 PolarHBondContact O-N 3.48Å; L520-L523 PolarHBondContact O-N 2.98Å; L520-F524 VanDerWaalsContact O-CB 3.28Å; L520-F524 WeakPolarHBondContact O-CB 3.27Å; L520-F524 PolarHBondContact O-N 2.87Å
521	Y	96.8	Very high	93.3	Very high	20 Å²	20	43.6 Å²	43.6	8%	0.078	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-47.6	175.5	-177.9	-104	0	0	0	112.5	F416 L517 L523 F524 C525 F531 E532 V538 K619 F620	F416-Y521 HydrophobicContact CE2-CD2 4.29Å; F416-Y521 HydrophobicContact CZ-CD2 4.3Å; L517-Y521 WeakPolarHBondContact O-CB 3.34Å; L517-Y521 PolarHBondContact O-N 3.48Å; Y521-L523 VanDerWaalsContact C-N 3.32Å; Y521-L523 PolarHBondContact O-N 3.37Å; Y521-F524 PolarHBondContact O-N 3Å; Y521-C525 PolarHBondContact O-N 3.22Å; Y521-C525 PolarHBondContact O-SG 3.34Å; Y521-F531 HydrophobicContact CE2-CE1 4.4Å; Y521-E532 PolarHBondContact OH-OE1 3.38Å; Y521-V538 HydrophobicContact CD2-CG2 4.21Å; Y521-V538 HydrophobicContact CE2-CG2 3.69Å; Y521-K619 HydrophobicContact CD1-CB 4.12Å; Y521-K619 HydrophobicContact CE1-CB 4.45Å; Y521-F620 HydrophobicContact CD1-CB 4.27Å; Y521-F620 AromaticContact CD1-CD1 3.89Å; Y521-F620 HydrophobicContact CD1-CD1 3.89Å; Y521-F620 HydrophobicContact CD2-CB 3.98Å; Y521-F620 AromaticContact CD2-CD1 3.67Å; Y521-F620 HydrophobicContact CD2-CD1 3.67Å; Y521-F620 HydrophobicContact CD2-CE1 4.41Å; Y521-F620 AromaticContact CD2-CG 3.99Å; Y521-F620 HydrophobicContact CD2-CG 3.99Å; Y521-F620 HydrophobicContact CE1-CB 4Å; Y521-F620 HydrophobicContact CE1-CD1 4.47Å; Y521-F620 HydrophobicContact CE2-CB 3.69Å; Y521-F620 HydrophobicContact CE2-CD1 4.28Å; Y521-F620 HydrophobicContact CE2-CG 4.19Å; Y521-F620 HydrophobicContact CG-CB 4.26Å; Y521-F620 AromaticContact CG-CD1 3.44Å; Y521-F620 HydrophobicContact CG-CD1 3.44Å; Y521-F620 VanDerWaalsContact CG-CD1 3.44Å; Y521-F620 HydrophobicContact CG-CE1 4.13Å; Y521-F620 HydrophobicContact CG-CG 4.17Å
522	S	95.8	Very high	93.5	Very high	45 Å²	45	42.9 Å²	42.9	32%	0.315	23%	0.227	S	C	.	.	H	α-helix	trans	-62.8	-40.6	179.5	-52.5	0	0	0	0	111.3	N518 R519 S526 K619	N518-S522 WeakPolarHBondContact O-CB 3.43Å; N518-S522 PolarHBondContact O-N 3.31Å; N518-S522 PolarHBondContact O-OG 3.08Å; R519-S522 PolarHBondContact O-N 3.22Å; S522-S526 PolarHBondContact O-N 3.04Å; S522-K619 PolarHBondContact OG-NZ 3.26Å; S522-K619 VanDerWaalsContact OG-NZ 3.13Å
523	L	94.2	Very high	93.4	Very high	38 Å²	38	50.3 Å²	50.3	20%	0.199	26%	0.258	C	S	.	.	H	α-helix	trans	-68.5	-35.8	177.2	-173.8	63.4	0	0	0	112.5	V257 Y258 R519 L520 Y521 S526 R527	V257-L523 HydrophobicContact CG1-CD2 4.29Å; Y258-L523 HydrophobicContact CD1-CD2 3.88Å; Y258-L523 HydrophobicContact CD1-CG 4.3Å; Y258-L523 HydrophobicContact CE1-CB 4.39Å; Y258-L523 HydrophobicContact CE1-CD2 4.15Å; Y258-L523 HydrophobicContact CE1-CG 4.07Å; R519-L523 VanDerWaalsContact O-CB 3.29Å; R519-L523 WeakPolarHBondContact O-CB 3.48Å; R519-L523 PolarHBondContact O-N 3.23Å; L520-L523 PolarHBondContact O-N 2.98Å; Y521-L523 VanDerWaalsContact C-N 3.32Å; Y521-L523 PolarHBondContact O-N 3.37Å; L523-S526 PolarHBondContact O-OG 3.37Å; L523-R527 PolarHBondContact O-N 2.74Å
524	F	94.7	Very high	93.3	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.018	28%	0.279	C	S	.	.	H	α-helix	trans	-67.8	-45.5	175.7	177.3	-95.1	0	0	0	111.2	Y258 T411 V414 L460 L520 Y521 R527 N528 F531	Y258-F524 HydrophobicContact CE1-CB 4.08Å; T411-F524 HydrophobicContact CG2-CE2 4.23Å; T411-F524 HydrophobicContact CG2-CZ 3.73Å; V414-F524 HydrophobicContact CB-CE1 4.11Å; V414-F524 HydrophobicContact CB-CE2 4.48Å; V414-F524 HydrophobicContact CB-CZ 4.1Å; V414-F524 HydrophobicContact CG1-CD1 4.39Å; V414-F524 HydrophobicContact CG1-CE1 4.21Å; V414-F524 HydrophobicContact CG2-CD2 4.34Å; V414-F524 HydrophobicContact CG2-CE2 4.28Å; V414-F524 HydrophobicContact CG2-CZ 4.38Å; L460-F524 HydrophobicContact CD1-CB 4.44Å; L460-F524 HydrophobicContact CD1-CD2 4.07Å; L460-F524 HydrophobicContact CD1-CG 4.5Å; L520-F524 VanDerWaalsContact O-CB 3.28Å; L520-F524 WeakPolarHBondContact O-CB 3.27Å; L520-F524 PolarHBondContact O-N 2.87Å; Y521-F524 PolarHBondContact O-N 3Å; F524-R527 PolarHBondContact O-N 3.46Å; F524-N528 HydrophobicContact CE1-CB 4.4Å; F524-N528 WeakPolarHBondContact CE2-ND2 3.45Å; F524-N528 HydrophobicContact CZ-CB 4.45Å; F524-N528 WeakPolarHBondContact O-CB 3.31Å; F524-N528 PolarHBondContact O-N 2.97Å; F524-N528 PolarHBondContact O-ND2 3.23Å; F524-F531 HydrophobicContact CD1-CD1 4.32Å; F524-F531 HydrophobicContact CD1-CE1 4.5Å; F524-F531 HydrophobicContact CD1-CG 4.46Å; F524-F531 HydrophobicContact CE1-CB 4.29Å; F524-F531 AromaticContact CE1-CD1 3.81Å; F524-F531 HydrophobicContact CE1-CD1 3.81Å; F524-F531 AromaticContact CE1-CD2 3.61Å; F524-F531 HydrophobicContact CE1-CD2 3.61Å; F524-F531 AromaticContact CE1-CE1 3.97Å; F524-F531 HydrophobicContact CE1-CE1 3.97Å; F524-F531 AromaticContact CE1-CE2 3.76Å; F524-F531 HydrophobicContact CE1-CE2 3.76Å; F524-F531 AromaticContact CE1-CG 3.63Å; F524-F531 HydrophobicContact CE1-CG 3.63Å; F524-F531 AromaticContact CE1-CZ 3.94Å; F524-F531 HydrophobicContact CE1-CZ 3.94Å; F524-F531 HydrophobicContact CZ-CD2 4.08Å; F524-F531 HydrophobicContact CZ-CE2 4.19Å; F524-F531 HydrophobicContact CZ-CG 4.46Å
525	C	94.3	Very high	93.1	Very high	22 Å²	22	57.4 Å²	57.4	15%	0.149	30%	0.299	C	S	.	.	H	α-helix	trans	-67.7	-36.3	178.6	-62	0	0	0	0	112.3	Y521 R527 N528	Y521-C525 PolarHBondContact O-N 3.22Å; Y521-C525 PolarHBondContact O-SG 3.34Å; C525-R527 PolarHBondContact O-N 3.17Å; C525-N528 CarbonylContact O-C 3.59Å; C525-N528 PolarHBondContact O-N 3.47Å; C525-N528 VanDerWaalsContact O-N 3.15Å
526	S	92.4	Very high	93.1	Very high	79 Å²	79	53.3 Å²	53.3	55%	0.552	29%	0.286	S	S	*	.	H	α-helix	trans	-63.7	-29.3	175.9	72	0	0	0	0	113	S522 L523	S522-S526 PolarHBondContact O-N 3.04Å; L523-S526 PolarHBondContact O-OG 3.37Å
527	R	89	Confident	93.2	Very high	95 Å²	95	55.8 Å²	55.8	36%	0.358	30%	0.297	S	S	.	.	H	α-helix	trans	-89.9	-16.3	175	-74.5	-171.2	161	66.8	1.1	113.9	E246 L523 F524 C525	E246-R527 IonicContact OE1-CZ 3.87Å; E246-R527 IonicContact OE1-NE 3.91Å; E246-R527 PolarHBondContact OE1-NE 3.28Å; E246-R527 IonicContact OE1-NH2 3.47Å; E246-R527 PolarHBondContact OE1-NH2 3.47Å; E246-R527 IonicContact OE2-NH2 3.99Å; L523-R527 PolarHBondContact O-N 2.74Å; F524-R527 PolarHBondContact O-N 3.46Å; C525-R527 PolarHBondContact O-N 3.17Å
528	N	90.7	Very high	93.2	Very high	43 Å²	43	56.1 Å²	56.1	23%	0.23	30%	0.298	C	S	.	.			trans	-128.3	71.4	177.1	-59	-85.4	0	0	0	109.7	F524 C525 D530 F531	F524-N528 HydrophobicContact CE1-CB 4.4Å; F524-N528 WeakPolarHBondContact CE2-ND2 3.45Å; F524-N528 HydrophobicContact CZ-CB 4.45Å; F524-N528 WeakPolarHBondContact O-CB 3.31Å; F524-N528 PolarHBondContact O-N 2.97Å; F524-N528 PolarHBondContact O-ND2 3.23Å; C525-N528 CarbonylContact O-C 3.59Å; C525-N528 PolarHBondContact O-N 3.47Å; C525-N528 VanDerWaalsContact O-N 3.15Å; N528-D530 PolarHBondContact O-N 3.35Å; N528-F531 HydrophobicContact CB-CB 3.95Å; N528-F531 WeakPolarHBondContact O-CB 3.31Å; N528-F531 PolarHBondContact O-N 3.14Å
529	P	90.7	Very high	93.3	Very high	98 Å²	98	55.1 Å²	55.1	64%	0.636	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-35.3	-172.6	-26.1	35.6	0	0	0	113.8	F531	P529-F531 VanDerWaalsContact C-N 3.26Å; P529-F531 PolarHBondContact O-N 2.98Å
530	D	90.5	Very high	93.5	Very high	77 Å²	77	50.9 Å²	50.9	41%	0.412	28%	0.277	S	S	.	.	H	α-helix	trans	-80.8	-3	-178	-53.2	-20.1	0	0	0	113.1	N528 E533 R534	N528-D530 PolarHBondContact O-N 3.35Å; D530-E533 PolarHBondContact O-N 3.47Å; D530-R534 WeakPolarHBondContact O-CB 3.4Å; D530-R534 VanDerWaalsContact O-CG 3.31Å; D530-R534 WeakPolarHBondContact O-CG 3.44Å; D530-R534 PolarHBondContact O-N 2.9Å; D530-R534 IonicContact OD2-NH1 2.8Å; D530-R534 PolarHBondContact OD2-NH1 3.26Å
531	F	93.3	Very high	93.6	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.009	28%	0.277	C	S	.	.	H	α-helix	trans	-61.6	-48.9	-174.4	175.3	-102.8	0	0	0	111.8	V414 Y521 F524 N528 P529 G536 K537 V538	V414-F531 HydrophobicContact CB-CZ 4.42Å; V414-F531 HydrophobicContact CG1-CE1 4.32Å; V414-F531 HydrophobicContact CG1-CZ 3.84Å; Y521-F531 HydrophobicContact CE2-CE1 4.4Å; F524-F531 HydrophobicContact CD1-CD1 4.32Å; F524-F531 HydrophobicContact CD1-CE1 4.5Å; F524-F531 HydrophobicContact CD1-CG 4.46Å; F524-F531 HydrophobicContact CE1-CB 4.29Å; F524-F531 AromaticContact CE1-CD1 3.81Å; F524-F531 HydrophobicContact CE1-CD1 3.81Å; F524-F531 AromaticContact CE1-CD2 3.61Å; F524-F531 HydrophobicContact CE1-CD2 3.61Å; F524-F531 AromaticContact CE1-CE1 3.97Å; F524-F531 HydrophobicContact CE1-CE1 3.97Å; F524-F531 AromaticContact CE1-CE2 3.76Å; F524-F531 HydrophobicContact CE1-CE2 3.76Å; F524-F531 AromaticContact CE1-CG 3.63Å; F524-F531 HydrophobicContact CE1-CG 3.63Å; F524-F531 AromaticContact CE1-CZ 3.94Å; F524-F531 HydrophobicContact CE1-CZ 3.94Å; F524-F531 HydrophobicContact CZ-CD2 4.08Å; F524-F531 HydrophobicContact CZ-CE2 4.19Å; F524-F531 HydrophobicContact CZ-CG 4.46Å; N528-F531 HydrophobicContact CB-CB 3.95Å; N528-F531 WeakPolarHBondContact O-CB 3.31Å; N528-F531 PolarHBondContact O-N 3.14Å; P529-F531 VanDerWaalsContact C-N 3.26Å; P529-F531 PolarHBondContact O-N 2.98Å; F531-G536 WeakPolarHBondContact O-CA 3.45Å; F531-G536 PolarHBondContact O-N 2.96Å; F531-K537 WeakPolarHBondContact CZ-O 3.42Å; F531-V538 HydrophobicContact CE1-CG2 4.25Å; F531-V538 HydrophobicContact CZ-CG2 4.43Å
532	E	92	Very high	93.6	Very high	113 Å²	113	49.9 Å²	49.9	53%	0.528	27%	0.273	S	S	.	.	H	α-helix	trans	-69.7	-40.4	179.2	-65.6	-173.8	149.5	0	0	111.4	Y521 R534 G535	Y521-E532 PolarHBondContact OH-OE1 3.38Å; E532-R534 VanDerWaalsContact C-N 3.27Å; E532-R534 PolarHBondContact O-N 3.49Å; E532-G535 PolarHBondContact O-N 3.29Å
533	E	90.1	Very high	93.6	Very high	169 Å²	169	48.5 Å²	48.5	79%	0.79	26%	0.262	S	S	*	.	H	α-helix	trans	-61.3	-36.5	179.9	-175	175.9	176	0	0	112.1	D530 G535	D530-E533 PolarHBondContact O-N 3.47Å; E533-G535 PolarHBondContact O-N 2.79Å
534	R	89.5	Confident	93.5	Very high	117 Å²	117	46.9 Å²	46.9	44%	0.442	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	5.4	177.1	-66.4	-172	-57.5	-123.7	9	114.3	D530 E532	D530-R534 WeakPolarHBondContact O-CB 3.4Å; D530-R534 VanDerWaalsContact O-CG 3.31Å; D530-R534 WeakPolarHBondContact O-CG 3.44Å; D530-R534 PolarHBondContact O-N 2.9Å; D530-R534 IonicContact OD2-NH1 2.8Å; D530-R534 PolarHBondContact OD2-NH1 3.26Å; E532-R534 VanDerWaalsContact C-N 3.27Å; E532-R534 PolarHBondContact O-N 3.49Å
535	G	90.8	Very high	93.4	Very high	54 Å²	54	46.9 Å²	46.9	56%	0.557	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	34.8	-178.9	0	0	0	0	0	113.4	E532 E533	E532-G535 PolarHBondContact O-N 3.29Å; E533-G535 PolarHBondContact O-N 2.79Å
536	G	93.1	Very high	93.4	Very high	23 Å²	23	45.9 Å²	45.9	24%	0.237	25%	0.247	C	C	.	.			trans	-54.5	137.6	176.9	0	0	0	0	0	112.6	T412 F531	T412-G536 WeakPolarHBondContact O-CA 3.33Å; F531-G536 WeakPolarHBondContact O-CA 3.45Å; F531-G536 PolarHBondContact O-N 2.96Å
537	K	95.4	Very high	93.5	Very high	63 Å²	63	42.1 Å²	42.1	27%	0.274	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	149.2	-176.3	-62.8	178.4	-173.8	177.1	0	111.2	T412 H413 V414 F531 E623 D862	T412-K537 PolarHBondContact O-N 2.93Å; T412-K537 VanDerWaalsContact O-N 3.08Å; H413-K537 WeakPolarHBondContact CA-O 3.17Å; H413-K537 VanDerWaalsContact CD2-C 3.48Å; H413-K537 PolarHBondContact CD2-O 2.85Å; H413-K537 VanDerWaalsContact CE1-CB 3.41Å; H413-K537 WeakPolarHBondContact CE1-CB 3.24Å; V414-K537 PolarHBondContact N-O 3.45Å; F531-K537 WeakPolarHBondContact CZ-O 3.42Å; K537-E623 HydrophobicContact CD-CG 4.3Å; K537-D862 IonicContact NZ-OD2 2.64Å; K537-D862 PolarHBondContact NZ-OD2 3.43Å
538	V	97.3	Very high	93.8	Very high	6 Å²	6	37.6 Å²	37.6	4%	0.036	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126	178	-173	0	0	0	0	110.2	V414 F416 Y521 F531 F620 E623	V414-V538 HydrophobicContact CG1-CB 4.27Å; V414-V538 HydrophobicContact CG1-CG1 4.05Å; V414-V538 HydrophobicContact CG1-CG2 3.82Å; V414-V538 WeakPolarHBondContact O-CA 3.36Å; F416-V538 HydrophobicContact CD2-CG1 3.75Å; F416-V538 HydrophobicContact CE2-CG1 3.58Å; Y521-V538 HydrophobicContact CD2-CG2 4.21Å; Y521-V538 HydrophobicContact CE2-CG2 3.69Å; F531-V538 HydrophobicContact CE1-CG2 4.25Å; F531-V538 HydrophobicContact CZ-CG2 4.43Å; V538-F620 HydrophobicContact CB-CD2 3.83Å; V538-F620 HydrophobicContact CB-CE2 4.41Å; V538-F620 HydrophobicContact CB-CG 4.41Å; V538-F620 HydrophobicContact CG1-CD2 3.37Å; V538-F620 HydrophobicContact CG1-CE2 3.49Å; V538-F620 VanDerWaalsContact CG1-CE2 3.49Å; V538-F620 HydrophobicContact CG1-CG 4.05Å; V538-F620 HydrophobicContact CG1-CZ 4.26Å; V538-F620 HydrophobicContact CG2-CB 4.16Å; V538-F620 HydrophobicContact CG2-CD2 4.28Å; V538-F620 HydrophobicContact CG2-CG 4.37Å; V538-E623 WeakPolarHBondContact O-CB 3.15Å; V538-E623 PolarHBondContact O-N 2.67Å
539	S	98.1	Very high	94	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	161.7	173.5	-65.1	0	0	0	0	111.2	H413 V414 V415 F416 N624 L860	H413-S539 PolarHBondContact CE1-OG 3.32Å; H413-S539 PolarHBondContact NE2-N 2.93Å; H413-S539 PolarHBondContact NE2-OG 3.3Å; V414-S539 PolarHBondContact O-N 2.87Å; V415-S539 WeakPolarHBondContact CA-O 3.43Å; F416-S539 PolarHBondContact N-O 2.67Å; S539-N624 CarbonylContact C-O 3.55Å; S539-N624 VanDerWaalsContact CA-O 3.28Å; S539-N624 WeakPolarHBondContact CA-O 3.28Å; S539-N624 VanDerWaalsContact CB-O 3.28Å; S539-N624 WeakPolarHBondContact CB-O 3.44Å; S539-N624 WeakPolarHBondContact OG-CB 3.33Å; S539-N624 PolarHBondContact OG-N 3.44Å; S539-N624 PolarHBondContact OG-ND2 3.4Å; S539-L860 WeakPolarHBondContact OG-CD2 3.35Å
540	I	98.4	Very high	94.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.8	173.6	-54.9	178.3	0	0	0	109.4	F416 V418 S542 T550 M554 L618 F620 V622 N624 F625 F626	F416-I540 HydrophobicContact CB-CG1 4.42Å; F416-I540 WeakPolarHBondContact O-CA 3.13Å; V418-I540 HydrophobicContact CG2-CG2 3.87Å; I540-S542 WeakPolarHBondContact CG2-OG 3.47Å; I540-T550 HydrophobicContact CD1-CG2 3.92Å; I540-T550 HydrophobicContact CG2-CG2 3.94Å; I540-M554 HydrophobicContact CD1-SD 4.42Å; I540-L618 HydrophobicContact CD1-CD1 4.34Å; I540-F620 HydrophobicContact CD1-CE2 4.25Å; I540-V622 HydrophobicContact CD1-CG1 4.44Å; I540-V622 HydrophobicContact CD1-CG2 3.78Å; I540-V622 HydrophobicContact CG1-CG1 4.24Å; I540-V622 HydrophobicContact CG1-CG2 4.28Å; I540-N624 PolarHBondContact N-O 3.06Å; I540-F625 HydrophobicContact CB-CD2 4.08Å; I540-F625 HydrophobicContact CG2-CD2 4.27Å; I540-F625 HydrophobicContact CG2-CE2 4.3Å; I540-F625 WeakPolarHBondContact O-CA 3.36Å; I540-F626 PolarHBondContact O-N 3.46Å
541	V	98.1	Very high	94.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	113.4	169	173.7	0	0	0	0	107.3	V415 F416 V417 V418 F626 M628 W847 L856	V415-V541 HydrophobicContact CG1-CB 4.18Å; V415-V541 HydrophobicContact CG1-CG2 3.49Å; V415-V541 VanDerWaalsContact CG1-CG2 3.49Å; F416-V541 PolarHBondContact O-N 3.01Å; V417-V541 CarbonylContact C-O 3.56Å; V417-V541 WeakPolarHBondContact CA-O 3.44Å; V418-V541 PolarHBondContact N-O 3.42Å; V541-F626 HydrophobicContact CB-CB 4.46Å; V541-F626 HydrophobicContact CG2-CB 3.98Å; V541-F626 HydrophobicContact CG2-CD2 3.73Å; V541-F626 HydrophobicContact CG2-CG 4.16Å; V541-M628 HydrophobicContact CG1-CE 3.36Å; V541-M628 HydrophobicContact CG1-SD 4.01Å; V541-W847 HydrophobicContact CG1-CZ3 4.47Å; V541-L856 HydrophobicContact CG2-CD1 4.38Å; V541-L856 HydrophobicContact CG2-CD2 4.06Å
542	S	97.1	Very high	94.4	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	149.4	178.4	-61.1	0	0	0	0	111.2	V418 I540 C547 T550 F625 F626 M628	V418-S542 WeakPolarHBondContact CB-OG 3.09Å; V418-S542 WeakPolarHBondContact O-CA 3.12Å; I540-S542 WeakPolarHBondContact CG2-OG 3.47Å; S542-C547 PolarHBondContact O-SG 3.09Å; S542-T550 PolarHBondContact OG-OG1 2.98Å; S542-F625 WeakPolarHBondContact OG-CE2 3.25Å; S542-F626 PolarHBondContact N-O 3.42Å; S542-M628 PolarHBondContact O-N 3.19Å
543	H	94.9	Very high	94.5	Very high	15 Å²	15	23.1 Å²	23.1	7%	0.069	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	139.6	177.4	173.2	-106	0	0	0	111.7	V418 G420 L545 G546 M628 H843 Y846 W847	V418-H543 PolarHBondContact O-N 3.35Å; G420-H543 WeakPolarHBondContact CA-O 3.24Å; G420-H543 PolarHBondContact N-O 3.25Å; H543-L545 PolarHBondContact O-N 3.34Å; H543-G546 WeakPolarHBondContact O-CA 3.49Å; H543-G546 PolarHBondContact O-N 3.27Å; H543-M628 WeakPolarHBondContact CA-O 3.23Å; H543-M628 HydrophobicContact CB-CE 4.45Å; H543-M628 PolarHBondContact CD2-O 2.92Å; H543-H843 AromaticContact CE1-CD2 3.89Å; H543-H843 AromaticContact CE1-NE2 3.56Å; H543-H843 PolarHBondContact CE1-O 2.89Å; H543-H843 AromaticContact NE2-CE1 3.81Å; H543-H843 AromaticContact NE2-NE2 3.77Å; H543-H843 PolarHBondContact NE2-O 2.78Å; H543-Y846 AromaticContact CD2-CD2 3.86Å; H543-Y846 AromaticContact NE2-CD2 3.84Å; H543-W847 HydrophobicContact CB-CH2 3.62Å; H543-W847 HydrophobicContact CB-CZ2 3.28Å; H543-W847 AromaticContact CG-CZ2 3.65Å
544	S	92.9	Very high	94.6	Very high	4 Å²	4	16 Å²	16	3%	0.028	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	-132.5	172	-170.5	0	0	0	0	112.3	G546 C547 M628 H843	S544-G546 PolarHBondContact O-N 2.95Å; S544-G546 VanDerWaalsContact O-N 3.12Å; S544-C547 VanDerWaalsContact O-CB 3.3Å; S544-C547 WeakPolarHBondContact O-CB 3.49Å; S544-C547 PolarHBondContact O-N 2.92Å; S544-C547 PolarHBondContact O-SG 3.41Å; S544-M628 PolarHBondContact N-O 3.02Å; S544-H843 VanDerWaalsContact CB-CE1 3.5Å; S544-H843 WeakPolarHBondContact CB-CE1 3.12Å; S544-H843 VanDerWaalsContact CB-NE2 3.32Å; S544-H843 WeakPolarHBondContact CB-NE2 3.48Å; S544-H843 PolarHBondContact OG-CE1 2.89Å; S544-H843 VanDerWaalsContact OG-CE1 3.31Å; S544-H843 PolarHBondContact OG-NE2 2.87Å
545	L	92.1	Very high	94.6	Very high	5 Å²	5	12.6 Å²	12.6	3%	0.026	8%	0.083	C	C	.	.	H	α-helix	trans	-54.2	-30	178.1	-175.4	66.1	0	0	0	113.4	I421 D496 I497 Y500 H543 C547 V548 I549 F635	I421-L545 HydrophobicContact CG2-CB 3.55Å; I421-L545 HydrophobicContact CG2-CD2 3.59Å; I421-L545 HydrophobicContact CG2-CG 4.2Å; D496-L545 HydrophobicContact CB-CD2 4.26Å; I497-L545 HydrophobicContact CG1-CD2 4.32Å; Y500-L545 HydrophobicContact CD1-CD1 3.86Å; Y500-L545 HydrophobicContact CE1-CD1 4.15Å; Y500-L545 HydrophobicContact CG-CD1 4.45Å; H543-L545 PolarHBondContact O-N 3.34Å; L545-C547 PolarHBondContact O-N 3.03Å; L545-C547 VanDerWaalsContact O-N 3.14Å; L545-V548 HydrophobicContact CD1-CB 4.37Å; L545-V548 HydrophobicContact CD1-CG2 4.44Å; L545-V548 PolarHBondContact O-N 3.03Å; L545-I549 HydrophobicContact CD2-CD1 4.26Å; L545-I549 HydrophobicContact CG-CD1 4.03Å; L545-I549 HydrophobicContact CG-CG1 4.24Å; L545-I549 PolarHBondContact O-N 3.33Å; L545-I549 VanDerWaalsContact O-N 3.16Å; L545-F635 HydrophobicContact CD1-CZ 4.5Å
546	G	94.5	Very high	94.3	Very high	0 Å²	0	13 Å²	13	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-56.4	-31.5	176.9	0	0	0	0	0	112	H419 H543 S544 V548 I549 T550	H419-G546 WeakPolarHBondContact O-CA 3.47Å; H543-G546 WeakPolarHBondContact O-CA 3.49Å; H543-G546 PolarHBondContact O-N 3.27Å; S544-G546 PolarHBondContact O-N 2.95Å; S544-G546 VanDerWaalsContact O-N 3.12Å; G546-V548 VanDerWaalsContact C-N 3.34Å; G546-V548 PolarHBondContact O-N 2.92Å; G546-I549 PolarHBondContact O-N 3.24Å; G546-T550 WeakPolarHBondContact O-CB 3.19Å; G546-T550 PolarHBondContact O-N 3.4Å; G546-T550 PolarHBondContact O-OG1 2.91Å
547	C	96.1	Very high	93.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.3	-40.3	175.3	-52.2	0	0	0	0	112.3	S542 S544 L545 Y551 F625 C627 S630	S542-C547 PolarHBondContact O-SG 3.09Å; S544-C547 VanDerWaalsContact O-CB 3.3Å; S544-C547 WeakPolarHBondContact O-CB 3.49Å; S544-C547 PolarHBondContact O-N 2.92Å; S544-C547 PolarHBondContact O-SG 3.41Å; L545-C547 PolarHBondContact O-N 3.03Å; L545-C547 VanDerWaalsContact O-N 3.14Å; C547-Y551 VanDerWaalsContact O-CB 3.25Å; C547-Y551 WeakPolarHBondContact O-CB 3.42Å; C547-Y551 PolarHBondContact O-N 3.21Å; C547-F625 HydrophobicContact CB-CZ 4.46Å; C547-C627 HydrophobicContact CB-CB 4.26Å; C547-S630 WeakPolarHBondContact CB-OG 3.38Å
548	V	94.9	Very high	92.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-71.3	-43	-178.4	-167.4	0	0	0	0	110.4	Y500 L545 G546 Y551 D552 P631 L632 F635	Y500-V548 HydrophobicContact CE1-CG1 4.15Å; Y500-V548 WeakPolarHBondContact OH-CG1 3.44Å; L545-V548 HydrophobicContact CD1-CB 4.37Å; L545-V548 HydrophobicContact CD1-CG2 4.44Å; L545-V548 PolarHBondContact O-N 3.03Å; G546-V548 VanDerWaalsContact C-N 3.34Å; G546-V548 PolarHBondContact O-N 2.92Å; V548-Y551 PolarHBondContact O-N 2.8Å; V548-D552 VanDerWaalsContact O-CG 3.31Å; V548-D552 PolarHBondContact O-N 3.21Å; V548-P631 HydrophobicContact CG2-CG 4.01Å; V548-L632 HydrophobicContact CG1-CD1 4.43Å; V548-L632 HydrophobicContact CG2-CB 4.42Å; V548-L632 HydrophobicContact CG2-CD1 4.48Å; V548-F635 HydrophobicContact CG1-CB 4.1Å; V548-F635 HydrophobicContact CG1-CD1 3.76Å; V548-F635 HydrophobicContact CG1-CD2 4.28Å; V548-F635 HydrophobicContact CG1-CE1 4.23Å; V548-F635 HydrophobicContact CG1-CG 3.79Å; V548-F635 HydrophobicContact CG2-CD2 3.97Å; V548-F635 HydrophobicContact CG2-CE2 4.23Å; V548-F635 HydrophobicContact CG2-CG 4.28Å
549	I	94.2	Very high	91.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-65.4	-47.2	178.2	-52.2	167.8	0	0	0	110	W464 Y500 I509 T510 L513 L545 G546 Y551 D552 I553	W464-I549 HydrophobicContact CH2-CD1 4Å; W464-I549 HydrophobicContact CZ2-CD1 3.8Å; Y500-I549 HydrophobicContact CD2-CD1 4.39Å; Y500-I549 HydrophobicContact CD2-CG1 3.84Å; Y500-I549 HydrophobicContact CE2-CB 4.44Å; Y500-I549 HydrophobicContact CE2-CG1 3.73Å; Y500-I549 HydrophobicContact CG-CG1 4.44Å; I509-I549 HydrophobicContact CG2-CD1 3.8Å; I509-I549 HydrophobicContact CG2-CG1 4.44Å; I509-I549 HydrophobicContact CG2-CG2 4.13Å; T510-I549 HydrophobicContact CG2-CG2 4.1Å; L513-I549 HydrophobicContact CD2-CB 4.08Å; L513-I549 HydrophobicContact CD2-CG2 3.63Å; L545-I549 HydrophobicContact CD2-CD1 4.26Å; L545-I549 HydrophobicContact CG-CD1 4.03Å; L545-I549 HydrophobicContact CG-CG1 4.24Å; L545-I549 PolarHBondContact O-N 3.33Å; L545-I549 VanDerWaalsContact O-N 3.16Å; G546-I549 PolarHBondContact O-N 3.24Å; I549-Y551 PolarHBondContact O-N 2.72Å; I549-D552 PolarHBondContact O-N 3.5Å; I549-I553 HydrophobicContact CG2-CD1 4.07Å; I549-I553 WeakPolarHBondContact O-CG1 3.13Å; I549-I553 PolarHBondContact O-N 2.95Å
550	T	96.2	Very high	89.5	Confident	1 Å²	1	17.9 Å²	17.9	1%	0.006	11%	0.11	C	C	.	.	H	α-helix	trans	-59.2	-45.6	176.3	-60	0	0	0	0	111.6	I540 S542 G546 D552 I553 M554 F625	I540-T550 HydrophobicContact CD1-CG2 3.92Å; I540-T550 HydrophobicContact CG2-CG2 3.94Å; S542-T550 PolarHBondContact OG-OG1 2.98Å; G546-T550 WeakPolarHBondContact O-CB 3.19Å; G546-T550 PolarHBondContact O-N 3.4Å; G546-T550 PolarHBondContact O-OG1 2.91Å; T550-D552 VanDerWaalsContact C-N 3.32Å; T550-D552 PolarHBondContact O-N 3.36Å; T550-I553 PolarHBondContact O-N 2.7Å; T550-M554 HydrophobicContact CG2-CG 4.39Å; T550-M554 HydrophobicContact CG2-SD 3.86Å; T550-M554 VanDerWaalsContact O-CG 3.31Å; T550-M554 WeakPolarHBondContact O-CG 3.43Å; T550-M554 PolarHBondContact O-N 3.45Å; T550-F625 HydrophobicContact CG2-CD2 4.23Å; T550-F625 HydrophobicContact CG2-CE2 3.6Å; T550-F625 HydrophobicContact CG2-CZ 3.76Å
551	Y	95.1	Very high	87.6	Confident	15 Å²	15	26.9 Å²	26.9	6%	0.059	14%	0.144	C	C	.	.	H	α-helix	trans	-56.2	-48.2	176	173.2	-84.3	0	0	0	111.1	C547 V548 I549 I553 M554 T555 L632 L636 I652 L653	C547-Y551 VanDerWaalsContact O-CB 3.25Å; C547-Y551 WeakPolarHBondContact O-CB 3.42Å; C547-Y551 PolarHBondContact O-N 3.21Å; V548-Y551 PolarHBondContact O-N 2.8Å; I549-Y551 PolarHBondContact O-N 2.72Å; Y551-I553 VanDerWaalsContact C-N 3.33Å; Y551-I553 PolarHBondContact O-N 3.39Å; Y551-M554 PolarHBondContact O-N 2.98Å; Y551-T555 HydrophobicContact CD1-CG2 4.37Å; Y551-T555 HydrophobicContact CD2-CG2 4.34Å; Y551-T555 HydrophobicContact CE1-CG2 3.94Å; Y551-T555 HydrophobicContact CE2-CG2 3.96Å; Y551-T555 WeakPolarHBondContact O-CG2 3.34Å; Y551-T555 PolarHBondContact O-N 3.05Å; Y551-T555 PolarHBondContact O-OG1 3.3Å; Y551-T555 VanDerWaalsContact O-OG1 3.12Å; Y551-L632 HydrophobicContact CD1-CD1 4.03Å; Y551-L632 HydrophobicContact CD2-CD1 4.17Å; Y551-L632 HydrophobicContact CD2-CD2 4Å; Y551-L632 HydrophobicContact CG-CD1 3.76Å; Y551-L632 HydrophobicContact CG-CD2 4.26Å; Y551-L636 HydrophobicContact CD1-CD2 4.31Å; Y551-L636 HydrophobicContact CE1-CD2 3.58Å; Y551-L636 HydrophobicContact CE2-CD2 4.13Å; Y551-L636 VanDerWaalsContact CZ-CD2 3.46Å; Y551-L636 WeakPolarHBondContact OH-CD2 3.35Å; Y551-I652 HydrophobicContact CE2-CG2 4.27Å; Y551-I652 WeakPolarHBondContact CE2-O 3.49Å; Y551-I652 PolarHBondContact OH-O 2.94Å; Y551-L653 HydrophobicContact CD2-CD1 4.28Å; Y551-L653 HydrophobicContact CE2-CB 4.37Å; Y551-L653 HydrophobicContact CE2-CD1 4.18Å
552	D	92.4	Very high	85.4	Confident	3 Å²	3	32.7 Å²	32.7	2%	0.016	17%	0.169	C	C	.	.	H	α-helix	trans	-63.1	-38.3	-178.9	-75.1	2	0	0	0	113.2	Y500 R506 V548 I549 T550 G556 W557 R639	Y500-D552 PolarHBondContact OH-OD2 3.23Å; R506-D552 IonicContact CZ-OD2 3.46Å; R506-D552 IonicContact NE-OD2 3.59Å; R506-D552 IonicContact NH2-OD2 3.37Å; R506-D552 PolarHBondContact NH2-OD2 3.06Å; V548-D552 VanDerWaalsContact O-CG 3.31Å; V548-D552 PolarHBondContact O-N 3.21Å; I549-D552 PolarHBondContact O-N 3.5Å; T550-D552 VanDerWaalsContact C-N 3.32Å; T550-D552 PolarHBondContact O-N 3.36Å; D552-G556 CarbonylContact O-C 3.56Å; D552-G556 VanDerWaalsContact O-CA 3.27Å; D552-G556 WeakPolarHBondContact O-CA 3.35Å; D552-G556 PolarHBondContact O-N 2.92Å; D552-W557 HydrophobicContact CB-CB 4.42Å; D552-W557 PolarHBondContact O-N 2.93Å; D552-W557 VanDerWaalsContact OD2-CE3 3.26Å; D552-R639 VanDerWaalsContact CG-NH2 3.3Å; D552-R639 IonicContact OD1-CZ 2.87Å; D552-R639 IonicContact OD1-NH1 3.54Å; D552-R639 PolarHBondContact OD1-NH1 2.86Å; D552-R639 IonicContact OD1-NH2 3.08Å; D552-R639 PolarHBondContact OD1-NH2 2.61Å; D552-R639 IonicContact OD2-CZ 3.7Å; D552-R639 IonicContact OD2-NH2 3.71Å; D552-R639 PolarHBondContact OD2-NH2 2.98Å
553	I	93.1	Very high	83.4	Confident	11 Å²	11	37.1 Å²	37.1	6%	0.056	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-47.3	174.9	-68.9	165.9	0	0	0	109.9	L513 T514 I549 T550 Y551 T555 G556 A617 L618	L513-I553 HydrophobicContact CB-CD1 3.84Å; L513-I553 HydrophobicContact CD2-CD1 3.63Å; L513-I553 HydrophobicContact CG-CD1 3.63Å; T514-I553 HydrophobicContact CG2-CG2 4.39Å; T514-I553 WeakPolarHBondContact OG1-CD1 3.45Å; T514-I553 WeakPolarHBondContact OG1-CG1 3.21Å; T514-I553 WeakPolarHBondContact OG1-CG2 3.28Å; I549-I553 HydrophobicContact CG2-CD1 4.07Å; I549-I553 WeakPolarHBondContact O-CG1 3.13Å; I549-I553 PolarHBondContact O-N 2.95Å; T550-I553 PolarHBondContact O-N 2.7Å; Y551-I553 VanDerWaalsContact C-N 3.33Å; Y551-I553 PolarHBondContact O-N 3.39Å; I553-T555 PolarHBondContact O-N 3.39Å; I553-G556 PolarHBondContact O-N 2.85Å; I553-A617 HydrophobicContact CG2-CB 4.11Å; I553-L618 HydrophobicContact CG2-CD2 3.95Å; I553-L618 HydrophobicContact CG2-CG 4.11Å
554	M	92.4	Very high	81.4	Confident	19 Å²	19	41.9 Å²	41.9	9%	0.094	22%	0.224	C	C	.	.	H	α-helix	trans	-65.1	-38.8	-178.5	-70.5	177	66.8	0	0	112.2	I540 T550 Y551 L618 V622 F625 I657 C658	I540-M554 HydrophobicContact CD1-SD 4.42Å; T550-M554 HydrophobicContact CG2-CG 4.39Å; T550-M554 HydrophobicContact CG2-SD 3.86Å; T550-M554 VanDerWaalsContact O-CG 3.31Å; T550-M554 WeakPolarHBondContact O-CG 3.43Å; T550-M554 PolarHBondContact O-N 3.45Å; Y551-M554 PolarHBondContact O-N 2.98Å; M554-L618 HydrophobicContact CG-CD1 4Å; M554-V622 HydrophobicContact CE-CB 3.6Å; M554-V622 HydrophobicContact CE-CG1 3.86Å; M554-V622 HydrophobicContact CE-CG2 3.63Å; M554-V622 HydrophobicContact SD-CG2 4.11Å; M554-F625 HydrophobicContact SD-CD1 4.31Å; M554-F625 HydrophobicContact SD-CG 4.38Å; M554-I657 HydrophobicContact CB-CG2 3.93Å; M554-I657 HydrophobicContact CE-CG2 3.94Å; M554-I657 WeakPolarHBondContact O-CG2 3.44Å; M554-C658 HydrophobicContact CE-CB 3.58Å
555	T	88.6	Confident	79.3	Confident	46 Å²	46	48.7 Å²	48.7	28%	0.282	26%	0.255	S	S	.	.	H	α-helix	trans	-89.6	-9.7	180	63.8	0	0	0	0	113.9	Y551 I553 W557 L653	Y551-T555 HydrophobicContact CD1-CG2 4.37Å; Y551-T555 HydrophobicContact CD2-CG2 4.34Å; Y551-T555 HydrophobicContact CE1-CG2 3.94Å; Y551-T555 HydrophobicContact CE2-CG2 3.96Å; Y551-T555 WeakPolarHBondContact O-CG2 3.34Å; Y551-T555 PolarHBondContact O-N 3.05Å; Y551-T555 PolarHBondContact O-OG1 3.3Å; Y551-T555 VanDerWaalsContact O-OG1 3.12Å; I553-T555 PolarHBondContact O-N 3.39Å; T555-W557 VanDerWaalsContact C-N 3.29Å; T555-W557 PolarHBondContact O-N 3.31Å; T555-W557 WeakPolarHBondContact OG1-CB 3.46Å; T555-L653 HydrophobicContact CG2-CD1 3.74Å
556	G	85.8	Confident	77.3	Confident	62 Å²	62	55.2 Å²	55.2	64%	0.639	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	31.9	-170.7	0	0	0	0	0	113.5	D552 I553	D552-G556 CarbonylContact O-C 3.56Å; D552-G556 VanDerWaalsContact O-CA 3.27Å; D552-G556 WeakPolarHBondContact O-CA 3.35Å; D552-G556 PolarHBondContact O-N 2.92Å; I553-G556 PolarHBondContact O-N 2.85Å
557	W	82.1	Confident	75.1	Confident	62 Å²	62	61.5 Å²	61.5	24%	0.235	32%	0.315	C	S	.	.			trans	-74.2	128.6	-175.7	-175.7	86.3	0	0	0	111	R506 D552 T555 P559 F562 R639	R506-W557 PolarHBondContact NH1-O 3.14Å; R506-W557 PolarHBondContact NH2-O 3.43Å; D552-W557 HydrophobicContact CB-CB 4.42Å; D552-W557 PolarHBondContact O-N 2.93Å; D552-W557 VanDerWaalsContact OD2-CE3 3.26Å; T555-W557 VanDerWaalsContact C-N 3.29Å; T555-W557 PolarHBondContact O-N 3.31Å; T555-W557 WeakPolarHBondContact OG1-CB 3.46Å; W557-P559 HydrophobicContact CH2-CB 3.49Å; W557-P559 VanDerWaalsContact CH2-CB 3.49Å; W557-P559 HydrophobicContact CH2-CG 3.77Å; W557-P559 HydrophobicContact CZ2-CB 4.04Å; W557-P559 HydrophobicContact CZ3-CB 4Å; W557-P559 VanDerWaalsContact CZ3-CD 3.46Å; W557-P559 HydrophobicContact CZ3-CG 3.72Å; W557-F562 AromaticContact CD1-CE2 3.86Å; W557-F562 AromaticContact NE1-CD2 3.95Å; W557-F562 AromaticContact NE1-CE2 3.38Å; W557-R639 VanDerWaalsContact CE3-NH2 3.26Å; W557-R639 HydrophobicContact CH2-CG 4.19Å; W557-R639 HydrophobicContact CZ2-CG 3.6Å
558	D	72.9	Confident	72.8	Confident	43 Å²	43	63.9 Å²	63.9	23%	0.23	33%	0.331	C	S	.	.			trans	-133.3	116.5	179.4	174.6	15.5	0	0	0	111.3	R506 V560 F562	R506-D558 IonicContact NH1-OD1 3.4Å; D558-V560 VanDerWaalsContact C-N 3.3Å; D558-V560 PolarHBondContact O-N 2.86Å; D558-V560 WeakPolarHBondContact OD1-CB 3.46Å; D558-V560 PolarHBondContact OD1-N 2.79Å; D558-F562 WeakPolarHBondContact O-CD2 2.95Å
559	P	67	Low	70.6	Confident	35 Å²	35	66.5 Å²	66.5	23%	0.227	35%	0.353	C	S	.	.	H	α-helix	trans	-67.3	-25.7	178	21.7	-24	0	0	0	113.7	W557 R561 F562 C563	W557-P559 HydrophobicContact CH2-CB 3.49Å; W557-P559 VanDerWaalsContact CH2-CB 3.49Å; W557-P559 HydrophobicContact CH2-CG 3.77Å; W557-P559 HydrophobicContact CZ2-CB 4.04Å; W557-P559 HydrophobicContact CZ3-CB 4Å; W557-P559 VanDerWaalsContact CZ3-CD 3.46Å; W557-P559 HydrophobicContact CZ3-CG 3.72Å; P559-R561 VanDerWaalsContact C-N 3.34Å; P559-R561 PolarHBondContact O-N 3.37Å; P559-F562 PolarHBondContact O-N 3.48Å; P559-F562 VanDerWaalsContact O-N 3.11Å; P559-C563 PolarHBondContact O-N 2.88Å
560	V	60.9	Low	68.5	Low	55 Å²	55	70.2 Å²	70.2	33%	0.333	38%	0.375	S	S	.	.	H	α-helix	trans	-67	-39.6	-177.7	-179.2	0	0	0	0	110.3	P503 D558 F562 C563 L564	P503-V560 HydrophobicContact CB-CG2 4.35Å; D558-V560 VanDerWaalsContact C-N 3.3Å; D558-V560 PolarHBondContact O-N 2.86Å; D558-V560 WeakPolarHBondContact OD1-CB 3.46Å; D558-V560 PolarHBondContact OD1-N 2.79Å; V560-F562 VanDerWaalsContact C-N 3.26Å; V560-F562 PolarHBondContact O-N 3.22Å; V560-C563 PolarHBondContact O-N 3.42Å; V560-L564 HydrophobicContact CG1-CD1 3.87Å; V560-L564 WeakPolarHBondContact O-CD1 3.41Å; V560-L564 PolarHBondContact O-N 3.42Å
561	R	57.9	Low	66.4	Low	189 Å²	189	75 Å²	75	71%	0.713	40%	0.398	S	S	*	.	H	α-helix	trans	-55.3	-39.2	170	-79.7	-173.2	171.8	-157.2	-3.5	113	P559 Q565	P559-R561 VanDerWaalsContact C-N 3.34Å; P559-R561 PolarHBondContact O-N 3.37Å; R561-Q565 WeakPolarHBondContact O-CB 3.29Å; R561-Q565 PolarHBondContact O-N 2.99Å
562	F	52.4	Low	64.3	Low	122 Å²	122	76.7 Å²	76.7	54%	0.535	41%	0.406	S	S	.	.	H	α-helix	trans	-72.2	-44.4	178.6	-76	-81.4	0	0	0	112.7	W557 D558 P559 V560 L564 Q565 E566	W557-F562 AromaticContact CD1-CE2 3.86Å; W557-F562 AromaticContact NE1-CD2 3.95Å; W557-F562 AromaticContact NE1-CE2 3.38Å; D558-F562 WeakPolarHBondContact O-CD2 2.95Å; P559-F562 PolarHBondContact O-N 3.48Å; P559-F562 VanDerWaalsContact O-N 3.11Å; V560-F562 VanDerWaalsContact C-N 3.26Å; V560-F562 PolarHBondContact O-N 3.22Å; F562-L564 PolarHBondContact O-N 2.95Å; F562-Q565 PolarHBondContact O-N 3.3Å; F562-Q565 VanDerWaalsContact O-N 3.15Å; F562-E566 PolarHBondContact O-N 3.22Å
563	C	54	Low	62.4	Low	93 Å²	93	84.3 Å²	84.3	63%	0.628	44%	0.442	S	S	*	.	H	α-helix	trans	-60.8	-43.4	177.1	-102.5	0	0	0	0	112.3	P559 V560 Q565 E566 H567	P559-C563 PolarHBondContact O-N 2.88Å; V560-C563 PolarHBondContact O-N 3.42Å; C563-Q565 PolarHBondContact O-N 3.03Å; C563-E566 PolarHBondContact O-N 3.28Å; C563-H567 WeakPolarHBondContact O-CB 3.45Å; C563-H567 PolarHBondContact O-N 3.08Å
564	L	54	Low	60.3	Low	115 Å²	115	91.2 Å²	91.2	60%	0.602	47%	0.474	S	S	*	.	H	α-helix	trans	-60.3	-36.2	175.4	-82.1	154.8	0	0	0	112	V560 F562 C568	V560-L564 HydrophobicContact CG1-CD1 3.87Å; V560-L564 WeakPolarHBondContact O-CD1 3.41Å; V560-L564 PolarHBondContact O-N 3.42Å; F562-L564 PolarHBondContact O-N 2.95Å; L564-C568 PolarHBondContact O-N 3.41Å; L564-C568 PolarHBondContact O-SG 3.03Å; L564-C568 VanDerWaalsContact O-SG 3.33Å
565	Q	49.4	Very low	58.3	Low	146 Å²	146	94.4 Å²	94.4	68%	0.682	49%	0.491	S	S	*	.	H	α-helix	trans	-74.9	-37.8	-179.8	-169.3	147.9	2.4	0	0	113.1	R561 F562 C563 A569	R561-Q565 WeakPolarHBondContact O-CB 3.29Å; R561-Q565 PolarHBondContact O-N 2.99Å; F562-Q565 PolarHBondContact O-N 3.3Å; F562-Q565 VanDerWaalsContact O-N 3.15Å; C563-Q565 PolarHBondContact O-N 3.03Å; Q565-A569 PolarHBondContact O-N 2.76Å
566	E	48.6	Very low	56.6	Low	143 Å²	143	97.7 Å²	97.7	67%	0.668	50%	0.502	S	S	*	.	H	α-helix	trans	-73.8	-37.7	173.9	-72.3	-150.8	152.2	0	0	113	F562 C563 C568 A569 V570	F562-E566 PolarHBondContact O-N 3.22Å; C563-E566 PolarHBondContact O-N 3.28Å; E566-C568 PolarHBondContact O-N 2.91Å; E566-A569 WeakPolarHBondContact O-CA 3.31Å; E566-A569 WeakPolarHBondContact O-CB 3.06Å; E566-A569 PolarHBondContact O-N 3.27Å; E566-V570 WeakPolarHBondContact O-CG2 3.34Å; E566-V570 PolarHBondContact O-N 3.32Å
567	H	48.2	Very low	55	Low	131 Å²	131	104.6 Å²	104.6	61%	0.606	51%	0.508	S	S	*	.	H	α-helix	trans	-62.1	-35	177.1	-143	-85.3	0	0	0	111.5	C563 A569 E571	C563-H567 WeakPolarHBondContact O-CB 3.45Å; C563-H567 PolarHBondContact O-N 3.08Å; H567-A569 VanDerWaalsContact C-N 3.29Å; H567-A569 PolarHBondContact O-N 2.94Å; H567-E571 IonicContact CE1-OE1 2.7Å; H567-E571 IonicContact ND1-OE1 3.84Å; H567-E571 PolarHBondContact O-N 3.18Å
568	C	48.5	Very low	53.5	Low	51 Å²	51	112.7 Å²	112.7	35%	0.345	54%	0.539	S	S	.	.	H	α-helix	trans	-64.8	-29.1	170.9	-75.6	0	0	0	0	113.7	L564 E566	L564-C568 PolarHBondContact O-N 3.41Å; L564-C568 PolarHBondContact O-SG 3.03Å; L564-C568 VanDerWaalsContact O-SG 3.33Å; E566-C568 PolarHBondContact O-N 2.91Å
569	A	48.6	Very low	52.9	Low	55 Å²	55	112.2 Å²	112.2	46%	0.455	54%	0.536	S	S	.	.	H	α-helix	trans	-84.8	-34	-178.1	0	0	0	0	0	112.7	Q565 E566 H567 E572	Q565-A569 PolarHBondContact O-N 2.76Å; E566-A569 WeakPolarHBondContact O-CA 3.31Å; E566-A569 WeakPolarHBondContact O-CB 3.06Å; E566-A569 PolarHBondContact O-N 3.27Å; H567-A569 VanDerWaalsContact C-N 3.29Å; H567-A569 PolarHBondContact O-N 2.94Å; A569-E572 PolarHBondContact O-N 2.85Å
570	V	51.1	Low	53.2	Low	77 Å²	77	113.2 Å²	113.2	47%	0.467	54%	0.544	S	S	.	.	H	α-helix	trans	-78.3	-33	-178.3	178.9	0	0	0	0	112.5	E566 E572 E573	E566-V570 WeakPolarHBondContact O-CG2 3.34Å; E566-V570 PolarHBondContact O-N 3.32Å; V570-E572 PolarHBondContact O-N 3.37Å; V570-E573 PolarHBondContact O-N 3.35Å
571	E	51.3	Low	53.7	Low	103 Å²	103	119.6 Å²	119.6	48%	0.481	56%	0.563	S	S	.	*	H	α-helix	trans	-61.3	-29.6	171	-78.9	179.1	179.1	0	0	112.3	H567 E573	H567-E571 IonicContact CE1-OE1 2.7Å; H567-E571 IonicContact ND1-OE1 3.84Å; H567-E571 PolarHBondContact O-N 3.18Å; E571-E573 VanDerWaalsContact C-N 3.31Å; E571-E573 PolarHBondContact O-N 3.49Å
572	E	51.7	Low	54.4	Low	49 Å²	49	117.9 Å²	117.9	23%	0.229	56%	0.563	C	S	.	*	H	α-helix	trans	-69.6	-22.3	178.2	-75.4	-170.2	-163.2	0	0	113.1	A569 V570 F576 R591 R598	A569-E572 PolarHBondContact O-N 2.85Å; V570-E572 PolarHBondContact O-N 3.37Å; E572-F576 WeakPolarHBondContact O-CD2 2.88Å; E572-F576 WeakPolarHBondContact O-CE2 3.33Å; E572-R591 IonicContact OE2-CZ 3.47Å; E572-R591 IonicContact OE2-NE 3.02Å; E572-R591 PolarHBondContact OE2-NE 2.94Å; E572-R591 IonicContact OE2-NH2 3.34Å; E572-R591 PolarHBondContact OE2-NH2 3.07Å; E572-R598 IonicContact OE1-NH2 2.83Å
573	E	52.8	Low	55.1	Low	164 Å²	164	116.8 Å²	116.8	77%	0.766	56%	0.56	S	S	*	*	H	α-helix	trans	-99.7	-25.7	-171.9	-70.9	-169	163.8	0	0	115.3	V570 E571	V570-E573 PolarHBondContact O-N 3.35Å; E571-E573 VanDerWaalsContact C-N 3.31Å; E571-E573 PolarHBondContact O-N 3.49Å
574	Q	48.5	Very low	55.9	Low	156 Å²	156	118.5 Å²	118.5	73%	0.729	55%	0.553	S	S	*	*	H	α-helix	trans	-88.6	-17.1	-173.1	-69.5	-175.8	26.6	0	0	114.8
575	D	50.9	Low	56.9	Low	86 Å²	86	117.9 Å²	117.9	46%	0.46	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-83.8	-12.1	-172.3	-92.6	-9.9	0	0	0	115.1	R577 M579 L587	D575-R577 VanDerWaalsContact C-N 3.28Å; D575-R577 PolarHBondContact O-N 2.96Å; D575-R577 VanDerWaalsContact O-N 3.09Å; D575-M579 HydrophobicContact CB-CE 4.31Å; D575-M579 HydrophobicContact CB-SD 3.72Å; D575-M579 WeakPolarHBondContact O-CE 3.4Å; D575-M579 WeakPolarHBondContact O-CG 3.39Å; D575-L587 HydrophobicContact CB-CD1 4.43Å
576	F	51.3	Low	58.3	Low	115 Å²	115	116.2 Å²	116.2	50%	0.504	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-71.9	-11.4	-171	-75.2	-69	0	0	0	116.6	E572 M579 R584	E572-F576 WeakPolarHBondContact O-CD2 2.88Å; E572-F576 WeakPolarHBondContact O-CE2 3.33Å; F576-M579 HydrophobicContact CD1-CE 4.36Å; F576-R584 PolarHBondContact O-NH2 2.89Å
577	R	53.9	Low	59.3	Low	206 Å²	206	112.3 Å²	112.3	78%	0.777	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-93	-17.2	-165.5	-160.2	163.4	64.7	-169.8	-1.3	115.8	D575	D575-R577 VanDerWaalsContact C-N 3.28Å; D575-R577 PolarHBondContact O-N 2.96Å; D575-R577 VanDerWaalsContact O-N 3.09Å
578	W	49.9	Very low	60.6	Low	233 Å²	233	111.7 Å²	111.7	88%	0.883	52%	0.523	S	S	*	.	S	Bend	trans	-139.4	25.5	-178.5	-67	114.3	0	0	0	115.3
579	M	60.9	Low	61.9	Low	32 Å²	32	114.6 Å²	114.6	16%	0.158	53%	0.532	C	S	.	.			trans	-93.6	138.4	-177	-68.8	-173	-38	0	0	113.7	D575 F576 E583 R584 L587	D575-M579 HydrophobicContact CB-CE 4.31Å; D575-M579 HydrophobicContact CB-SD 3.72Å; D575-M579 WeakPolarHBondContact O-CE 3.4Å; D575-M579 WeakPolarHBondContact O-CG 3.39Å; F576-M579 HydrophobicContact CD1-CE 4.36Å; M579-E583 HydrophobicContact CB-CB 4.08Å; M579-E583 HydrophobicContact CG-CB 4.38Å; M579-E583 HydrophobicContact SD-CB 4.46Å; M579-R584 HydrophobicContact CB-CG 4.14Å; M579-R584 HydrophobicContact CE-CG 3.81Å; M579-L587 HydrophobicContact CE-CD1 3.24Å; M579-L587 HydrophobicContact SD-CD1 3.06Å; M579-L587 WeakPolarHBondContact SD-CD1 2.88Å
580	S	72.7	Confident	63	Low	57 Å²	57	116.1 Å²	116.1	40%	0.399	53%	0.532	S	S	.	.			trans	-64	164.6	168.2	71.2	0	0	0	0	111.5	E582 E583 R584	S580-E582 VanDerWaalsContact C-N 3.29Å; S580-E582 PolarHBondContact O-N 3.39Å; S580-E583 VanDerWaalsContact CB-OE2 3.26Å; S580-E583 WeakPolarHBondContact CB-OE2 3.37Å; S580-E583 PolarHBondContact N-OE2 2.81Å; S580-E583 PolarHBondContact O-N 3.22Å; S580-E583 VanDerWaalsContact OG-CD 3.24Å; S580-E583 WeakPolarHBondContact OG-CG 3.4Å; S580-E583 PolarHBondContact OG-N 3.13Å; S580-E583 PolarHBondContact OG-OE2 3.33Å; S580-R584 PolarHBondContact O-N 2.89Å; S580-R584 VanDerWaalsContact O-N 3.07Å
581	Y	70.6	Confident	63.8	Low	189 Å²	189	117.7 Å²	117.7	74%	0.741	53%	0.529	S	S	*	.	H	α-helix	trans	-62.2	-36.7	-179.1	-177.7	-92.2	0	0	0	112.5	R584 Q585	Y581-R584 PolarHBondContact O-N 2.85Å; Y581-Q585 PolarHBondContact O-N 3.08Å; Y581-Q585 VanDerWaalsContact O-N 3.13Å
582	E	72.6	Confident	65.1	Low	153 Å²	153	117.9 Å²	117.9	72%	0.715	53%	0.533	S	S	*	.	H	α-helix	trans	-70.1	-40.1	178.4	-70.6	178.6	172	0	0	111.8	S580 R584 Q585 L586	S580-E582 VanDerWaalsContact C-N 3.29Å; S580-E582 PolarHBondContact O-N 3.39Å; E582-R584 VanDerWaalsContact C-N 3.34Å; E582-R584 PolarHBondContact O-N 2.79Å; E582-Q585 PolarHBondContact O-N 2.83Å; E582-L586 PolarHBondContact O-N 2.63Å
583	E	67.4	Low	66	Low	98 Å²	98	119.4 Å²	119.4	46%	0.458	55%	0.546	S	S	.	.	H	α-helix	trans	-64.7	-37.7	175.1	-72.2	161.6	148.5	0	0	111.9	M579 S580 Q585 L586 L587	M579-E583 HydrophobicContact CB-CB 4.08Å; M579-E583 HydrophobicContact CG-CB 4.38Å; M579-E583 HydrophobicContact SD-CB 4.46Å; S580-E583 VanDerWaalsContact CB-OE2 3.26Å; S580-E583 WeakPolarHBondContact CB-OE2 3.37Å; S580-E583 PolarHBondContact N-OE2 2.81Å; S580-E583 PolarHBondContact O-N 3.22Å; S580-E583 VanDerWaalsContact OG-CD 3.24Å; S580-E583 WeakPolarHBondContact OG-CG 3.4Å; S580-E583 PolarHBondContact OG-N 3.13Å; S580-E583 PolarHBondContact OG-OE2 3.33Å; E583-Q585 VanDerWaalsContact C-N 3.34Å; E583-Q585 PolarHBondContact O-N 2.96Å; E583-L586 PolarHBondContact O-N 3.49Å; E583-L587 WeakPolarHBondContact O-CB 3.5Å; E583-L587 PolarHBondContact O-N 2.8Å
584	R	70.6	Confident	66.5	Low	129 Å²	129	114.3 Å²	114.3	49%	0.487	52%	0.521	S	S	.	.	H	α-helix	trans	-62.5	-41.6	172.8	-78.8	-179.4	-179	-179.4	-0.8	112.3	F576 M579 S580 Y581 E582 L587 E588	F576-R584 PolarHBondContact O-NH2 2.89Å; M579-R584 HydrophobicContact CB-CG 4.14Å; M579-R584 HydrophobicContact CE-CG 3.81Å; S580-R584 PolarHBondContact O-N 2.89Å; S580-R584 VanDerWaalsContact O-N 3.07Å; Y581-R584 PolarHBondContact O-N 2.85Å; E582-R584 VanDerWaalsContact C-N 3.34Å; E582-R584 PolarHBondContact O-N 2.79Å; R584-L587 PolarHBondContact O-N 2.75Å; R584-E588 WeakPolarHBondContact O-CB 3.47Å; R584-E588 PolarHBondContact O-N 3.4Å
585	Q	76.6	Confident	67.5	Low	103 Å²	103	110.5 Å²	110.5	48%	0.481	51%	0.505	S	S	.	.	H	α-helix	trans	-69.4	-39.6	179.9	-169.4	165	-14	0	0	111.5	Y581 E582 E583 E588 E589	Y581-Q585 PolarHBondContact O-N 3.08Å; Y581-Q585 VanDerWaalsContact O-N 3.13Å; E582-Q585 PolarHBondContact O-N 2.83Å; E583-Q585 VanDerWaalsContact C-N 3.34Å; E583-Q585 PolarHBondContact O-N 2.96Å; Q585-E588 PolarHBondContact O-N 3.18Å; Q585-E589 PolarHBondContact O-N 3.46Å
586	L	77.8	Confident	68.6	Low	111 Å²	111	115.3 Å²	115.3	58%	0.581	52%	0.517	S	S	*	.	H	α-helix	trans	-63.5	-40.6	173.2	-79.2	165.2	0	0	0	112.2	E582 E583 E589 L590	E582-L586 PolarHBondContact O-N 2.63Å; E583-L586 PolarHBondContact O-N 3.49Å; L586-E589 PolarHBondContact O-N 3.37Å; L586-L590 WeakPolarHBondContact O-CB 3.27Å; L586-L590 PolarHBondContact O-N 3.29Å
587	L	69.9	Low	69.2	Low	61 Å²	61	114.9 Å²	114.9	32%	0.319	52%	0.52	S	S	.	.	H	α-helix	trans	-70.1	-34.4	176	-83	164	0	0	0	113.4	D575 M579 E583 R584 E589 L590 R591	D575-L587 HydrophobicContact CB-CD1 4.43Å; M579-L587 HydrophobicContact CE-CD1 3.24Å; M579-L587 HydrophobicContact SD-CD1 3.06Å; M579-L587 WeakPolarHBondContact SD-CD1 2.88Å; E583-L587 WeakPolarHBondContact O-CB 3.5Å; E583-L587 PolarHBondContact O-N 2.8Å; R584-L587 PolarHBondContact O-N 2.75Å; L587-E589 VanDerWaalsContact C-N 3.33Å; L587-L590 PolarHBondContact O-N 2.68Å; L587-R591 WeakPolarHBondContact O-CB 3.42Å; L587-R591 PolarHBondContact O-N 2.72Å
588	E	74.6	Confident	69.5	Low	117 Å²	117	110 Å²	110	55%	0.547	50%	0.501	S	S	.	.	H	α-helix	trans	-61.7	-43.9	171.1	-164.4	84.9	-144.6	0	0	110.2	R584 Q585 R591 L592	R584-E588 WeakPolarHBondContact O-CB 3.47Å; R584-E588 PolarHBondContact O-N 3.4Å; Q585-E588 PolarHBondContact O-N 3.18Å; E588-R591 PolarHBondContact O-N 3.35Å; E588-L592 HydrophobicContact CG-CD1 4.41Å; E588-L592 WeakPolarHBondContact O-CB 3.39Å; E588-L592 WeakPolarHBondContact O-CG 3.47Å; E588-L592 PolarHBondContact O-N 2.77Å
589	E	77.1	Confident	70.5	Confident	113 Å²	113	103.7 Å²	103.7	53%	0.528	48%	0.482	S	S	.	.	H	α-helix	trans	-64.6	-41.5	173.5	-77.4	-166.6	167.3	0	0	112.3	Q585 L586 L587 R591 L592 T593	Q585-E589 PolarHBondContact O-N 3.46Å; L586-E589 PolarHBondContact O-N 3.37Å; L587-E589 VanDerWaalsContact C-N 3.33Å; E589-R591 VanDerWaalsContact C-N 3.33Å; E589-R591 PolarHBondContact O-N 2.85Å; E589-L592 PolarHBondContact O-N 3.05Å; E589-T593 VanDerWaalsContact O-CB 3.28Å; E589-T593 WeakPolarHBondContact O-CB 3.32Å; E589-T593 PolarHBondContact O-N 3.06Å; E589-T593 PolarHBondContact O-OG1 3.09Å
590	L	70.8	Confident	70.9	Confident	87 Å²	87	106.4 Å²	106.4	46%	0.455	50%	0.496	S	S	.	.	H	α-helix	trans	-65	-38.6	177.1	-136.9	162	0	0	0	110.8	L586 L587 T593 K594	L586-L590 WeakPolarHBondContact O-CB 3.27Å; L586-L590 PolarHBondContact O-N 3.29Å; L587-L590 PolarHBondContact O-N 2.68Å; L590-T593 PolarHBondContact O-N 3.45Å; L590-K594 HydrophobicContact CD2-CD 4.14Å; L590-K594 HydrophobicContact CD2-CG 4.12Å; L590-K594 WeakPolarHBondContact O-CB 3.47Å; L590-K594 WeakPolarHBondContact O-CG 3.23Å; L590-K594 PolarHBondContact O-N 3.46Å
591	R	68.4	Low	70.4	Confident	109 Å²	109	109.5 Å²	109.5	41%	0.411	50%	0.504	S	S	.	.	H	α-helix	trans	-67.2	-45.1	175.4	-169	179.7	-160	175.7	11.2	111.8	E572 L587 E588 E589 T593 K594 N595	E572-R591 IonicContact OE2-CZ 3.47Å; E572-R591 IonicContact OE2-NE 3.02Å; E572-R591 PolarHBondContact OE2-NE 2.94Å; E572-R591 IonicContact OE2-NH2 3.34Å; E572-R591 PolarHBondContact OE2-NH2 3.07Å; L587-R591 WeakPolarHBondContact O-CB 3.42Å; L587-R591 PolarHBondContact O-N 2.72Å; E588-R591 PolarHBondContact O-N 3.35Å; E589-R591 VanDerWaalsContact C-N 3.33Å; E589-R591 PolarHBondContact O-N 2.85Å; R591-T593 VanDerWaalsContact C-N 3.26Å; R591-T593 PolarHBondContact O-N 3.01Å; R591-K594 PolarHBondContact O-N 3.03Å; R591-N595 WeakPolarHBondContact O-CB 3.41Å; R591-N595 VanDerWaalsContact O-CG 3.28Å; R591-N595 PolarHBondContact O-N 3.08Å; R591-N595 PolarHBondContact O-ND2 2.84Å
592	L	77.6	Confident	69.8	Low	107 Å²	107	105 Å²	105	56%	0.56	49%	0.493	S	S	*	.	H	α-helix	trans	-60.3	-40	172.7	-81.2	161.4	0	0	0	111.1	E588 E589 N595 R596	E588-L592 HydrophobicContact CG-CD1 4.41Å; E588-L592 WeakPolarHBondContact O-CB 3.39Å; E588-L592 WeakPolarHBondContact O-CG 3.47Å; E588-L592 PolarHBondContact O-N 2.77Å; E589-L592 PolarHBondContact O-N 3.05Å; L592-N595 PolarHBondContact O-N 3.22Å; L592-R596 VanDerWaalsContact O-CB 3.3Å; L592-R596 WeakPolarHBondContact O-CB 3.45Å; L592-R596 PolarHBondContact O-N 2.94Å
593	T	71.3	Confident	69.7	Low	81 Å²	81	101.9 Å²	101.9	50%	0.497	48%	0.479	S	S	.	.	H	α-helix	trans	-68.9	-43.6	177.6	-54.1	0	0	0	0	111.5	E589 L590 R591 N595 R596 L597	E589-T593 VanDerWaalsContact O-CB 3.28Å; E589-T593 WeakPolarHBondContact O-CB 3.32Å; E589-T593 PolarHBondContact O-N 3.06Å; E589-T593 PolarHBondContact O-OG1 3.09Å; L590-T593 PolarHBondContact O-N 3.45Å; R591-T593 VanDerWaalsContact C-N 3.26Å; R591-T593 PolarHBondContact O-N 3.01Å; T593-N595 PolarHBondContact O-N 3.32Å; T593-R596 CarbonylContact O-C 3.58Å; T593-R596 PolarHBondContact O-N 2.59Å; T593-L597 HydrophobicContact CG2-CD1 4.49Å; T593-L597 WeakPolarHBondContact O-CB 3.18Å; T593-L597 WeakPolarHBondContact O-CG 3.15Å; T593-L597 PolarHBondContact O-N 3.32Å
594	K	64.1	Low	69.5	Low	58 Å²	58	101.7 Å²	101.7	25%	0.252	48%	0.48	S	S	.	.	H	α-helix	trans	-61.2	-42.6	173.5	-80.7	-178.6	175.1	-178.4	0	111.8	L590 R591 R596 L597 R598	L590-K594 HydrophobicContact CD2-CD 4.14Å; L590-K594 HydrophobicContact CD2-CG 4.12Å; L590-K594 WeakPolarHBondContact O-CB 3.47Å; L590-K594 WeakPolarHBondContact O-CG 3.23Å; L590-K594 PolarHBondContact O-N 3.46Å; R591-K594 PolarHBondContact O-N 3.03Å; K594-R596 VanDerWaalsContact C-N 3.32Å; K594-R596 PolarHBondContact O-N 2.99Å; K594-L597 PolarHBondContact O-N 2.95Å; K594-R598 PolarHBondContact O-N 3.22Å
595	N	68.8	Low	68.9	Low	75 Å²	75	99.2 Å²	99.2	40%	0.401	48%	0.479	S	S	.	.	H	α-helix	trans	-65.7	-37.4	175.5	-73.3	-17.4	0	0	0	111.8	R591 L592 T593 R598 E599	R591-N595 WeakPolarHBondContact O-CB 3.41Å; R591-N595 VanDerWaalsContact O-CG 3.28Å; R591-N595 PolarHBondContact O-N 3.08Å; R591-N595 PolarHBondContact O-ND2 2.84Å; L592-N595 PolarHBondContact O-N 3.22Å; T593-N595 PolarHBondContact O-N 3.32Å; N595-R598 PolarHBondContact O-N 3.18Å; N595-R598 PolarHBondContact OD1-NH2 2.87Å; N595-E599 WeakPolarHBondContact O-CB 3.42Å; N595-E599 PolarHBondContact O-N 2.75Å
596	R	74.3	Confident	68.1	Low	187 Å²	187	102.4 Å²	102.4	71%	0.706	49%	0.491	S	S	*	.	H	α-helix	trans	-70.8	-34.6	174.9	-166.4	149	-176.8	157.6	-1.7	112.5	L592 T593 K594 E599 L600	L592-R596 VanDerWaalsContact O-CB 3.3Å; L592-R596 WeakPolarHBondContact O-CB 3.45Å; L592-R596 PolarHBondContact O-N 2.94Å; T593-R596 CarbonylContact O-C 3.58Å; T593-R596 PolarHBondContact O-N 2.59Å; K594-R596 VanDerWaalsContact C-N 3.32Å; K594-R596 PolarHBondContact O-N 2.99Å; R596-E599 PolarHBondContact O-N 3.4Å; R596-L600 HydrophobicContact CG-CD1 4.44Å; R596-L600 WeakPolarHBondContact O-CB 3.26Å; R596-L600 WeakPolarHBondContact O-CG 3.35Å; R596-L600 PolarHBondContact O-N 3.1Å
597	L	64	Low	67	Low	106 Å²	106	102.6 Å²	102.6	56%	0.555	49%	0.493	S	S	*	.	H	α-helix	trans	-65.3	-44.8	171	-80.9	170.5	0	0	0	111.3	T593 K594 E599 L600 E601	T593-L597 HydrophobicContact CG2-CD1 4.49Å; T593-L597 WeakPolarHBondContact O-CB 3.18Å; T593-L597 WeakPolarHBondContact O-CG 3.15Å; T593-L597 PolarHBondContact O-N 3.32Å; K594-L597 PolarHBondContact O-N 2.95Å; L597-E599 VanDerWaalsContact C-N 3.32Å; L597-E599 PolarHBondContact O-N 3.41Å; L597-L600 CarbonylContact O-C 3.56Å; L597-L600 PolarHBondContact O-N 3.01Å; L597-E601 WeakPolarHBondContact O-CB 3.38Å; L597-E601 PolarHBondContact O-N 3.46Å
598	R	59.8	Low	66	Low	105 Å²	105	104.9 Å²	104.9	40%	0.396	50%	0.502	S	S	.	.	H	α-helix	trans	-59.9	-40.8	172.7	-96.6	-172.8	-71.4	-111.8	1.9	112.6	E572 K594 N595 E601 N602	E572-R598 IonicContact OE1-NH2 2.83Å; K594-R598 PolarHBondContact O-N 3.22Å; N595-R598 PolarHBondContact O-N 3.18Å; N595-R598 PolarHBondContact OD1-NH2 2.87Å; R598-E601 PolarHBondContact O-N 2.9Å; R598-N602 VanDerWaalsContact O-CB 3.32Å; R598-N602 WeakPolarHBondContact O-CB 3.32Å; R598-N602 PolarHBondContact O-N 2.82Å; R598-N602 PolarHBondContact O-ND2 3.38Å
599	E	70.6	Confident	64.7	Low	100 Å²	100	103.3 Å²	103.3	47%	0.467	51%	0.508	S	S	.	.	H	α-helix	trans	-66.3	-42.8	175.8	-179.7	57.4	-151.6	0	0	111.2	N595 R596 L597 E601 N602 Q603	N595-E599 WeakPolarHBondContact O-CB 3.42Å; N595-E599 PolarHBondContact O-N 2.75Å; R596-E599 PolarHBondContact O-N 3.4Å; L597-E599 VanDerWaalsContact C-N 3.32Å; L597-E599 PolarHBondContact O-N 3.41Å; E599-E601 VanDerWaalsContact C-N 3.35Å; E599-N602 PolarHBondContact O-N 2.98Å; E599-Q603 WeakPolarHBondContact O-CB 3.35Å; E599-Q603 WeakPolarHBondContact O-CG 3.38Å; E599-Q603 PolarHBondContact O-N 2.88Å; E599-Q603 PolarHBondContact OE1-NE2 3.34Å
600	L	68.9	Low	63.2	Low	88 Å²	88	102.2 Å²	102.2	46%	0.461	51%	0.514	S	S	.	.	H	α-helix	trans	-65.3	-38	174.4	-73.7	170.6	0	0	0	111.9	R596 L597 Q603 L604	R596-L600 HydrophobicContact CG-CD1 4.44Å; R596-L600 WeakPolarHBondContact O-CB 3.26Å; R596-L600 WeakPolarHBondContact O-CG 3.35Å; R596-L600 PolarHBondContact O-N 3.1Å; L597-L600 CarbonylContact O-C 3.56Å; L597-L600 PolarHBondContact O-N 3.01Å; L600-Q603 CarbonylContact O-C 3.59Å; L600-Q603 PolarHBondContact O-N 2.94Å; L600-L604 WeakPolarHBondContact O-CB 3.32Å; L600-L604 PolarHBondContact O-N 3.4Å
601	E	62.3	Low	61.8	Low	122 Å²	122	103.3 Å²	103.3	57%	0.57	52%	0.52	S	S	*	.	H	α-helix	trans	-66.9	-43.4	175.4	-173.1	175.8	-156.5	0	0	110.5	L597 R598 E599 Q603 L604 V605	L597-E601 WeakPolarHBondContact O-CB 3.38Å; L597-E601 PolarHBondContact O-N 3.46Å; R598-E601 PolarHBondContact O-N 2.9Å; E599-E601 VanDerWaalsContact C-N 3.35Å; E601-Q603 VanDerWaalsContact C-N 3.31Å; E601-Q603 PolarHBondContact O-N 2.91Å; E601-L604 CarbonylContact O-C 3.58Å; E601-L604 PolarHBondContact O-N 3.29Å; E601-L604 VanDerWaalsContact O-N 3.15Å; E601-V605 WeakPolarHBondContact O-CB 3.42Å; E601-V605 VanDerWaalsContact O-CG2 3.24Å; E601-V605 WeakPolarHBondContact O-CG2 3.33Å; E601-V605 PolarHBondContact O-N 2.9Å
602	N	59	Low	60.6	Low	96 Å²	96	103.9 Å²	103.9	51%	0.513	54%	0.538	S	S	.	.	H	α-helix	trans	-62.8	-37.7	171.9	-74.2	-27.2	0	0	0	112	R598 E599 K606	R598-N602 VanDerWaalsContact O-CB 3.32Å; R598-N602 WeakPolarHBondContact O-CB 3.32Å; R598-N602 PolarHBondContact O-N 2.82Å; R598-N602 PolarHBondContact O-ND2 3.38Å; E599-N602 PolarHBondContact O-N 2.98Å; N602-K606 WeakPolarHBondContact O-CB 3.35Å; N602-K606 PolarHBondContact O-N 2.8Å
603	Q	70.7	Confident	59.1	Low	87 Å²	87	103.7 Å²	103.7	41%	0.407	55%	0.545	S	S	.	.	H	α-helix	trans	-68.6	-36.9	173.4	-73.7	174.7	19.6	0	0	111.5	E599 L600 E601 K606 L607	E599-Q603 WeakPolarHBondContact O-CB 3.35Å; E599-Q603 WeakPolarHBondContact O-CG 3.38Å; E599-Q603 PolarHBondContact O-N 2.88Å; E599-Q603 PolarHBondContact OE1-NE2 3.34Å; L600-Q603 CarbonylContact O-C 3.59Å; L600-Q603 PolarHBondContact O-N 2.94Å; E601-Q603 VanDerWaalsContact C-N 3.31Å; E601-Q603 PolarHBondContact O-N 2.91Å; Q603-K606 PolarHBondContact O-N 3.46Å; Q603-L607 WeakPolarHBondContact O-CB 3.47Å; Q603-L607 WeakPolarHBondContact O-CD1 3.12Å; Q603-L607 WeakPolarHBondContact O-CG 3.3Å; Q603-L607 PolarHBondContact O-N 3.06Å
604	L	62.1	Low	58.3	Low	93 Å²	93	103.7 Å²	103.7	49%	0.487	55%	0.554	S	S	.	*	H	α-helix	trans	-69.6	-42.2	176.6	-156.4	154.5	0	0	0	110.1	L600 E601 K606 L607 E608	L600-L604 WeakPolarHBondContact O-CB 3.32Å; L600-L604 PolarHBondContact O-N 3.4Å; E601-L604 CarbonylContact O-C 3.58Å; E601-L604 PolarHBondContact O-N 3.29Å; E601-L604 VanDerWaalsContact O-N 3.15Å; L604-K606 VanDerWaalsContact C-N 3.32Å; L604-K606 PolarHBondContact O-N 3.27Å; L604-L607 CarbonylContact O-C 3.43Å; L604-L607 PolarHBondContact O-N 3.5Å; L604-E608 HydrophobicContact CD2-CG 3.82Å; L604-E608 WeakPolarHBondContact CD2-OE1 3.15Å; L604-E608 VanDerWaalsContact O-CB 3.29Å; L604-E608 WeakPolarHBondContact O-CB 3.29Å; L604-E608 WeakPolarHBondContact O-CG 3.46Å; L604-E608 PolarHBondContact O-N 2.79Å
605	V	58.9	Low	58	Low	77 Å²	77	106.4 Å²	106.4	47%	0.467	58%	0.577	S	S	.	*	H	α-helix	trans	-62.4	-37.4	170.6	169.2	0	0	0	0	111.2	E601 E608 A609	E601-V605 WeakPolarHBondContact O-CB 3.42Å; E601-V605 VanDerWaalsContact O-CG2 3.24Å; E601-V605 WeakPolarHBondContact O-CG2 3.33Å; E601-V605 PolarHBondContact O-N 2.9Å; V605-E608 CarbonylContact O-C 3.6Å; V605-E608 PolarHBondContact O-N 3.32Å; V605-A609 VanDerWaalsContact O-CB 3.25Å; V605-A609 WeakPolarHBondContact O-CB 3.07Å; V605-A609 PolarHBondContact O-N 2.79Å
606	K	59.7	Low	58.2	Low	170 Å²	170	107.9 Å²	107.9	74%	0.739	59%	0.591	S	S	*	*	H	α-helix	trans	-73	-28.8	176.2	-163.9	175	-174.4	178.1	0	112.6	N602 Q603 L604	N602-K606 WeakPolarHBondContact O-CB 3.35Å; N602-K606 PolarHBondContact O-N 2.8Å; Q603-K606 PolarHBondContact O-N 3.46Å; L604-K606 VanDerWaalsContact C-N 3.32Å; L604-K606 PolarHBondContact O-N 3.27Å
607	L	54.8	Low	58.7	Low	116 Å²	116	101.3 Å²	101.3	61%	0.607	58%	0.576	S	S	*	*	H	α-helix	trans	-79.5	-34.4	170.3	-73	164.1	0	0	0	111.5	Q603 L604 S610	Q603-L607 WeakPolarHBondContact O-CB 3.47Å; Q603-L607 WeakPolarHBondContact O-CD1 3.12Å; Q603-L607 WeakPolarHBondContact O-CG 3.3Å; Q603-L607 PolarHBondContact O-N 3.06Å; L604-L607 CarbonylContact O-C 3.43Å; L604-L607 PolarHBondContact O-N 3.5Å; L607-S610 WeakPolarHBondContact O-CA 3.4Å; L607-S610 WeakPolarHBondContact O-CB 3.27Å; L607-S610 PolarHBondContact O-N 3.36Å; L607-S610 VanDerWaalsContact O-N 3.08Å; L607-S610 PolarHBondContact O-OG 3.47Å
608	E	48.9	Very low	60.1	Low	109 Å²	109	96.9 Å²	96.9	51%	0.509	55%	0.553	S	S	.	*	H	α-helix	trans	-71.4	-31.2	172.8	-80.7	178.7	165.2	0	0	111.4	L604 V605 S610 N611	L604-E608 HydrophobicContact CD2-CG 3.82Å; L604-E608 WeakPolarHBondContact CD2-OE1 3.15Å; L604-E608 VanDerWaalsContact O-CB 3.29Å; L604-E608 WeakPolarHBondContact O-CB 3.29Å; L604-E608 WeakPolarHBondContact O-CG 3.46Å; L604-E608 PolarHBondContact O-N 2.79Å; V605-E608 CarbonylContact O-C 3.6Å; V605-E608 PolarHBondContact O-N 3.32Å; E608-S610 PolarHBondContact O-N 2.82Å; E608-N611 CarbonylContact O-C 3.53Å; E608-N611 WeakPolarHBondContact O-CA 3.48Å; E608-N611 WeakPolarHBondContact O-CB 3.45Å; E608-N611 PolarHBondContact O-N 2.96Å
609	A	46.8	Very low	61.7	Low	83 Å²	83	98.3 Å²	98.3	69%	0.686	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-12.2	168.4	0	0	0	0	0	112.8	V605	V605-A609 VanDerWaalsContact O-CB 3.25Å; V605-A609 WeakPolarHBondContact O-CB 3.07Å; V605-A609 PolarHBondContact O-N 2.79Å
610	S	45.9	Very low	62.8	Low	91 Å²	91	94.4 Å²	94.4	64%	0.636	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-6.1	167.4	77.3	0	0	0	0	113.6	L607 E608	L607-S610 WeakPolarHBondContact O-CA 3.4Å; L607-S610 WeakPolarHBondContact O-CB 3.27Å; L607-S610 PolarHBondContact O-N 3.36Å; L607-S610 VanDerWaalsContact O-N 3.08Å; L607-S610 PolarHBondContact O-OG 3.47Å; E608-S610 PolarHBondContact O-N 2.82Å
611	N	41.9	Very low	64	Low	109 Å²	109	96.2 Å²	96.2	58%	0.583	55%	0.548	S	S	*	.	S	Bend	trans	-98.6	154.9	160.9	-81	-36.6	0	0	0	109.1	E608 S613	E608-N611 CarbonylContact O-C 3.53Å; E608-N611 WeakPolarHBondContact O-CA 3.48Å; E608-N611 WeakPolarHBondContact O-CB 3.45Å; E608-N611 PolarHBondContact O-N 2.96Å; N611-S613 PolarHBondContact O-N 3.35Å
612	P	43.1	Very low	65.5	Low	122 Å²	122	90.5 Å²	90.5	79%	0.792	52%	0.521	S	S	*	.			trans	-59.1	127.4	174.7	24.1	-31	0	0	0	108.9
613	S	45.4	Very low	67.3	Low	103 Å²	103	88.5 Å²	88.5	72%	0.72	51%	0.509	S	S	*	.			trans	-33.1	146.4	168.6	167.2	0	0	0	0	111.5	N611	N611-S613 PolarHBondContact O-N 3.35Å
614	A	53.8	Low	68.5	Low	81 Å²	81	84.9 Å²	84.9	67%	0.669	49%	0.492	S	S	*	.	S	Bend	trans	-42.2	133.4	164.2	0	0	0	0	0	109
615	P	59	Low	70.2	Confident	115 Å²	115	80.5 Å²	80.5	75%	0.747	47%	0.469	S	S	*	.			trans	-56	141.6	-175.3	22.4	-32.3	0	0	0	109.3	A617	P615-A617 PolarHBondContact O-N 2.92Å
616	P	73.1	Confident	72.1	Confident	106 Å²	106	76.9 Å²	76.9	69%	0.688	45%	0.447	S	S	*	.			trans	-54.5	141	176.2	24.3	-33.2	0	0	0	109.4	L618	P616-L618 PolarHBondContact O-N 3.38Å
617	A	84.6	Confident	73.9	Confident	48 Å²	48	68.8 Å²	68.8	40%	0.397	41%	0.412	S	S	.	.	S	Bend	trans	-56.8	-34.7	-177.6	0	0	0	0	0	111.8	T514 N518 I553 P615	T514-A617 HydrophobicContact CG2-CB 4.21Å; T514-A617 WeakPolarHBondContact CG2-O 3.12Å; N518-A617 PolarHBondContact ND2-O 3.2Å; I553-A617 HydrophobicContact CG2-CB 4.11Å; P615-A617 PolarHBondContact O-N 2.92Å
618	L	93.4	Very high	75.8	Confident	14 Å²	14	63.3 Å²	63.3	7%	0.073	38%	0.384	C	S	.	.	S	Bend	trans	-101	139.1	175	-58.3	178	0	0	0	110.8	T514 L517 N518 I540 I553 M554 P616 F620 V622	T514-L618 HydrophobicContact CG2-CD2 4.47Å; L517-L618 HydrophobicContact CB-CD2 4.09Å; L517-L618 HydrophobicContact CD1-CD2 3.88Å; N518-L618 WeakPolarHBondContact OD1-CA 3.42Å; I540-L618 HydrophobicContact CD1-CD1 4.34Å; I553-L618 HydrophobicContact CG2-CD2 3.95Å; I553-L618 HydrophobicContact CG2-CG 4.11Å; M554-L618 HydrophobicContact CG-CD1 4Å; P616-L618 PolarHBondContact O-N 3.38Å; L618-F620 HydrophobicContact CB-CE1 4.41Å; L618-F620 HydrophobicContact CB-CZ 4.45Å; L618-F620 HydrophobicContact CD1-CE2 4.17Å; L618-F620 HydrophobicContact CD1-CZ 4.19Å; L618-F620 HydrophobicContact CD2-CE1 4.46Å; L618-F620 HydrophobicContact CD2-CZ 4.29Å; L618-F620 PolarHBondContact O-N 2.86Å; L618-V622 HydrophobicContact CD1-CG2 4.07Å
619	K	92.8	Very high	78	Confident	134 Å²	134	58.1 Å²	58.1	58%	0.583	36%	0.359	S	S	*	.	S	Bend	trans	-74.7	-2.6	176.6	-68.3	-177.9	-178.7	-176.6	0	114.1	N518 Y521 S522	N518-K619 HydrophobicContact CB-CD 4.23Å; N518-K619 HydrophobicContact CB-CG 4.36Å; N518-K619 PolarHBondContact OD1-N 3.41Å; Y521-K619 HydrophobicContact CD1-CB 4.12Å; Y521-K619 HydrophobicContact CE1-CB 4.45Å; S522-K619 PolarHBondContact OG-NZ 3.26Å; S522-K619 VanDerWaalsContact OG-NZ 3.13Å
620	F	93.8	Very high	80.3	Confident	18 Å²	18	54.2 Å²	54.2	8%	0.079	33%	0.327	C	S	.	.	S	Bend	trans	-135.3	154.9	-175.4	55.9	-93	0	0	0	110.7	F416 L517 Y521 V538 I540 L618 V622	F416-F620 HydrophobicContact CD2-CE1 4.33Å; F416-F620 HydrophobicContact CD2-CE2 4.13Å; F416-F620 AromaticContact CD2-CZ 3.72Å; F416-F620 HydrophobicContact CD2-CZ 3.72Å; F416-F620 HydrophobicContact CE2-CD1 4.43Å; F416-F620 AromaticContact CE2-CE1 3.81Å; F416-F620 HydrophobicContact CE2-CE1 3.81Å; F416-F620 HydrophobicContact CE2-CE2 4.15Å; F416-F620 AromaticContact CE2-CZ 3.65Å; F416-F620 HydrophobicContact CE2-CZ 3.65Å; L517-F620 HydrophobicContact CB-CE1 4.42Å; L517-F620 HydrophobicContact CB-CZ 4.39Å; Y521-F620 HydrophobicContact CD1-CB 4.27Å; Y521-F620 AromaticContact CD1-CD1 3.89Å; Y521-F620 HydrophobicContact CD1-CD1 3.89Å; Y521-F620 HydrophobicContact CD2-CB 3.98Å; Y521-F620 AromaticContact CD2-CD1 3.67Å; Y521-F620 HydrophobicContact CD2-CD1 3.67Å; Y521-F620 HydrophobicContact CD2-CE1 4.41Å; Y521-F620 AromaticContact CD2-CG 3.99Å; Y521-F620 HydrophobicContact CD2-CG 3.99Å; Y521-F620 HydrophobicContact CE1-CB 4Å; Y521-F620 HydrophobicContact CE1-CD1 4.47Å; Y521-F620 HydrophobicContact CE2-CB 3.69Å; Y521-F620 HydrophobicContact CE2-CD1 4.28Å; Y521-F620 HydrophobicContact CE2-CG 4.19Å; Y521-F620 HydrophobicContact CG-CB 4.26Å; Y521-F620 AromaticContact CG-CD1 3.44Å; Y521-F620 HydrophobicContact CG-CD1 3.44Å; Y521-F620 VanDerWaalsContact CG-CD1 3.44Å; Y521-F620 HydrophobicContact CG-CE1 4.13Å; Y521-F620 HydrophobicContact CG-CG 4.17Å; V538-F620 HydrophobicContact CB-CD2 3.83Å; V538-F620 HydrophobicContact CB-CE2 4.41Å; V538-F620 HydrophobicContact CB-CG 4.41Å; V538-F620 HydrophobicContact CG1-CD2 3.37Å; V538-F620 HydrophobicContact CG1-CE2 3.49Å; V538-F620 VanDerWaalsContact CG1-CE2 3.49Å; V538-F620 HydrophobicContact CG1-CG 4.05Å; V538-F620 HydrophobicContact CG1-CZ 4.26Å; V538-F620 HydrophobicContact CG2-CB 4.16Å; V538-F620 HydrophobicContact CG2-CD2 4.28Å; V538-F620 HydrophobicContact CG2-CG 4.37Å; I540-F620 HydrophobicContact CD1-CE2 4.25Å; L618-F620 HydrophobicContact CB-CE1 4.41Å; L618-F620 HydrophobicContact CB-CZ 4.45Å; L618-F620 HydrophobicContact CD1-CE2 4.17Å; L618-F620 HydrophobicContact CD1-CZ 4.19Å; L618-F620 HydrophobicContact CD2-CE1 4.46Å; L618-F620 HydrophobicContact CD2-CZ 4.29Å; L618-F620 PolarHBondContact O-N 2.86Å; F620-V622 HydrophobicContact CD2-CG2 4.29Å; F620-V622 HydrophobicContact CE2-CG2 3.99Å
621	K	93.1	Very high	82.6	Confident	126 Å²	126	50.6 Å²	50.6	55%	0.548	30%	0.301	S	S	.	.			trans	-83.2	135.4	171.5	-172.6	-174.6	177	-160.6	0	109.6
622	V	95.5	Very high	85.1	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.018	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	121.5	175.1	-176.2	0	0	0	0	109.3	I540 M554 L618 F620 N624 F625 C658 S659	I540-V622 HydrophobicContact CD1-CG1 4.44Å; I540-V622 HydrophobicContact CD1-CG2 3.78Å; I540-V622 HydrophobicContact CG1-CG1 4.24Å; I540-V622 HydrophobicContact CG1-CG2 4.28Å; M554-V622 HydrophobicContact CE-CB 3.6Å; M554-V622 HydrophobicContact CE-CG1 3.86Å; M554-V622 HydrophobicContact CE-CG2 3.63Å; M554-V622 HydrophobicContact SD-CG2 4.11Å; L618-V622 HydrophobicContact CD1-CG2 4.07Å; F620-V622 HydrophobicContact CD2-CG2 4.29Å; F620-V622 HydrophobicContact CE2-CG2 3.99Å; V622-N624 WeakPolarHBondContact CG1-O 3.46Å; V622-F625 HydrophobicContact CG1-CB 4.34Å; V622-C658 WeakPolarHBondContact O-CA 3.48Å; V622-S659 PolarHBondContact O-N 2.77Å
623	E	95.5	Very high	87.5	Confident	54 Å²	54	39.9 Å²	39.9	25%	0.252	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-57.9	176	-177.9	68.5	170.7	0	0	110.5	K537 V538 S659 R660	K537-E623 HydrophobicContact CD-CG 4.3Å; V538-E623 WeakPolarHBondContact O-CB 3.15Å; V538-E623 PolarHBondContact O-N 2.67Å; E623-S659 WeakPolarHBondContact O-CA 3.32Å; E623-S659 WeakPolarHBondContact O-CB 3.26Å; E623-S659 PolarHBondContact O-N 3.49Å; E623-S659 WeakPolarHBondContact OE2-CB 3.24Å; E623-S659 PolarHBondContact OE2-OG 3.12Å; E623-R660 PolarHBondContact O-N 2.93Å
624	N	96.7	Very high	89.8	Confident	11 Å²	11	37.3 Å²	37.3	6%	0.059	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.8	177.6	-58	-67.7	0	0	0	110.7	S539 I540 V622 F626 R660 F662	S539-N624 CarbonylContact C-O 3.55Å; S539-N624 VanDerWaalsContact CA-O 3.28Å; S539-N624 WeakPolarHBondContact CA-O 3.28Å; S539-N624 VanDerWaalsContact CB-O 3.28Å; S539-N624 WeakPolarHBondContact CB-O 3.44Å; S539-N624 WeakPolarHBondContact OG-CB 3.33Å; S539-N624 PolarHBondContact OG-N 3.44Å; S539-N624 PolarHBondContact OG-ND2 3.4Å; I540-N624 PolarHBondContact N-O 3.06Å; V622-N624 WeakPolarHBondContact CG1-O 3.46Å; N624-F626 HydrophobicContact CB-CD2 4.18Å; N624-F626 HydrophobicContact CB-CE2 3.44Å; N624-F626 VanDerWaalsContact CB-CE2 3.44Å; N624-F626 HydrophobicContact CB-CZ 3.78Å; N624-R660 WeakPolarHBondContact CA-O 3.48Å; N624-R660 WeakPolarHBondContact OD1-CB 3.37Å; N624-F662 HydrophobicContact CB-CD2 4.43Å; N624-F662 HydrophobicContact CB-CE2 3.89Å; N624-F662 WeakPolarHBondContact OD1-CE2 3.23Å
625	F	97.8	Very high	91.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	111.5	171.3	-179.1	-146.3	0	0	0	110.6	I540 S542 C547 T550 M554 V622 C627 L653 C658 R660 L661 F662	I540-F625 HydrophobicContact CB-CD2 4.08Å; I540-F625 HydrophobicContact CG2-CD2 4.27Å; I540-F625 HydrophobicContact CG2-CE2 4.3Å; I540-F625 WeakPolarHBondContact O-CA 3.36Å; S542-F625 WeakPolarHBondContact OG-CE2 3.25Å; C547-F625 HydrophobicContact CB-CZ 4.46Å; T550-F625 HydrophobicContact CG2-CD2 4.23Å; T550-F625 HydrophobicContact CG2-CE2 3.6Å; T550-F625 HydrophobicContact CG2-CZ 3.76Å; M554-F625 HydrophobicContact SD-CD1 4.31Å; M554-F625 HydrophobicContact SD-CG 4.38Å; V622-F625 HydrophobicContact CG1-CB 4.34Å; F625-C627 WeakPolarHBondContact CE1-SG 3.05Å; F625-C627 WeakPolarHBondContact CZ-SG 3.47Å; F625-L653 HydrophobicContact CD1-CD2 4.07Å; F625-C658 WeakPolarHBondContact CB-SG 3.26Å; F625-R660 PolarHBondContact N-O 2.78Å; F625-L661 HydrophobicContact CB-CD1 4.35Å; F625-L661 HydrophobicContact CD1-CD1 3.59Å; F625-L661 HydrophobicContact CE1-CD1 4.25Å; F625-L661 HydrophobicContact CG-CD1 4.24Å; F625-F662 PolarHBondContact O-N 3.06Å
626	F	97.9	Very high	93.1	Very high	1 Å²	1	30 Å²	30	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	113.4	179.4	-57.8	-88.3	0	0	0	110.4	I540 V541 S542 N624 F662 F855 L856 F859 L860	I540-F626 PolarHBondContact O-N 3.46Å; V541-F626 HydrophobicContact CB-CB 4.46Å; V541-F626 HydrophobicContact CG2-CB 3.98Å; V541-F626 HydrophobicContact CG2-CD2 3.73Å; V541-F626 HydrophobicContact CG2-CG 4.16Å; S542-F626 PolarHBondContact N-O 3.42Å; N624-F626 HydrophobicContact CB-CD2 4.18Å; N624-F626 HydrophobicContact CB-CE2 3.44Å; N624-F626 VanDerWaalsContact CB-CE2 3.44Å; N624-F626 HydrophobicContact CB-CZ 3.78Å; F626-F662 HydrophobicContact CD1-CB 3.63Å; F626-F662 HydrophobicContact CD1-CD1 4.34Å; F626-F662 AromaticContact CD1-CD2 3.58Å; F626-F662 HydrophobicContact CD1-CD2 3.58Å; F626-F662 HydrophobicContact CD1-CE2 4.21Å; F626-F662 AromaticContact CD1-CG 3.63Å; F626-F662 HydrophobicContact CD1-CG 3.63Å; F626-F662 HydrophobicContact CE1-CB 4.17Å; F626-F662 HydrophobicContact CE1-CD1 4.04Å; F626-F662 AromaticContact CE1-CD2 3.4Å; F626-F662 HydrophobicContact CE1-CD2 3.4Å; F626-F662 VanDerWaalsContact CE1-CD2 3.4Å; F626-F662 HydrophobicContact CE1-CE1 4.14Å; F626-F662 AromaticContact CE1-CE2 3.56Å; F626-F662 HydrophobicContact CE1-CE2 3.56Å; F626-F662 AromaticContact CE1-CG 3.64Å; F626-F662 HydrophobicContact CE1-CG 3.64Å; F626-F662 AromaticContact CE1-CZ 3.88Å; F626-F662 HydrophobicContact CE1-CZ 3.88Å; F626-F662 HydrophobicContact CG-CB 4.42Å; F626-F662 HydrophobicContact CG-CD2 4.26Å; F626-F662 AromaticContact CZ-CD2 3.97Å; F626-F662 HydrophobicContact CZ-CD2 3.97Å; F626-F662 AromaticContact CZ-CE2 3.78Å; F626-F662 HydrophobicContact CZ-CE2 3.78Å; F626-F662 HydrophobicContact CZ-CZ 4.22Å; F626-F855 HydrophobicContact CD1-CE1 4.06Å; F626-F855 HydrophobicContact CE1-CE1 4.06Å; F626-L856 HydrophobicContact CB-CD2 4.2Å; F626-L856 HydrophobicContact CD1-CD2 3.53Å; F626-L856 HydrophobicContact CD2-CD2 3.88Å; F626-L856 HydrophobicContact CE1-CD2 3.75Å; F626-L856 HydrophobicContact CE2-CD2 4.07Å; F626-L856 HydrophobicContact CG-CD2 3.6Å; F626-L856 HydrophobicContact CZ-CD2 4.02Å; F626-F859 HydrophobicContact CE1-CB 4.44Å; F626-F859 HydrophobicContact CE1-CD2 4.45Å; F626-F859 HydrophobicContact CZ-CB 4.18Å; F626-L860 HydrophobicContact CE2-CD2 4.14Å
627	C	97.8	Very high	93.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	120.2	171.8	-68.3	0	0	0	0	109.8	C547 F625 F662 V664	C547-C627 HydrophobicContact CB-CB 4.26Å; F625-C627 WeakPolarHBondContact CE1-SG 3.05Å; F625-C627 WeakPolarHBondContact CZ-SG 3.47Å; C627-F662 WeakPolarHBondContact CB-O 3.37Å; C627-F662 PolarHBondContact N-O 3.44Å; C627-V664 PolarHBondContact O-N 3.36Å
628	M	96.1	Very high	93.9	Very high	2 Å²	2	31 Å²	31	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.1	176.5	-61.6	-172.3	-57.9	0	0	111.3	V541 S542 H543 S544 S630 V664 Y846 W847 I852	V541-M628 HydrophobicContact CG1-CE 3.36Å; V541-M628 HydrophobicContact CG1-SD 4.01Å; S542-M628 PolarHBondContact O-N 3.19Å; H543-M628 WeakPolarHBondContact CA-O 3.23Å; H543-M628 HydrophobicContact CB-CE 4.45Å; H543-M628 PolarHBondContact CD2-O 2.92Å; S544-M628 PolarHBondContact N-O 3.02Å; M628-S630 VanDerWaalsContact C-N 3.28Å; M628-S630 PolarHBondContact O-N 2.7Å; M628-V664 WeakPolarHBondContact CA-O 3.2Å; M628-V664 HydrophobicContact CG-CB 4.37Å; M628-Y846 HydrophobicContact CB-CD1 4.26Å; M628-Y846 HydrophobicContact CB-CG 4.24Å; M628-W847 HydrophobicContact CE-CE3 3.86Å; M628-W847 HydrophobicContact CE-CH2 3.63Å; M628-W847 HydrophobicContact CE-CZ2 4.32Å; M628-W847 HydrophobicContact CE-CZ3 3.35Å; M628-I852 HydrophobicContact SD-CD1 4.44Å; M628-I852 HydrophobicContact SD-CG2 3.96Å
629	G	94.1	Very high	93.5	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	57.1	42	177.1	0	0	0	0	0	112.8	V664 D669 H843 Y846	G629-V664 PolarHBondContact N-O 3.28Å; G629-D669 VanDerWaalsContact CA-OD2 3.3Å; G629-D669 WeakPolarHBondContact CA-OD2 3.34Å; G629-H843 PolarHBondContact O-CE1 3.14Å; G629-Y846 WeakPolarHBondContact CA-OH 3.15Å
630	S	95.1	Very high	92.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.			trans	-95.4	134.6	-161.5	-179.2	0	0	0	0	114	C547 M628 L632 V671 A672 Y673	C547-S630 WeakPolarHBondContact CB-OG 3.38Å; M628-S630 VanDerWaalsContact C-N 3.28Å; M628-S630 PolarHBondContact O-N 2.7Å; S630-L632 VanDerWaalsContact C-N 3.26Å; S630-L632 PolarHBondContact O-N 3.35Å; S630-L632 WeakPolarHBondContact OG-CB 3.47Å; S630-L632 PolarHBondContact OG-N 2.87Å; S630-L632 VanDerWaalsContact OG-N 3.1Å; S630-V671 CarbonylContact C-O 3.52Å; S630-A672 WeakPolarHBondContact O-CA 3.26Å; S630-Y673 PolarHBondContact O-N 3.3Å
631	P	94.8	Very high	92.4	Very high	15 Å²	15	29.5 Å²	29.5	10%	0.097	16%	0.161	C	C	.	.			trans	-83.5	3.8	169.4	34.8	-33.5	0	0	0	113.5	V548 A633 V634 F635 V671	V548-P631 HydrophobicContact CG2-CG 4.01Å; P631-A633 PolarHBondContact O-N 2.98Å; P631-A633 VanDerWaalsContact O-N 3.11Å; P631-V634 WeakPolarHBondContact O-CB 3.34Å; P631-V634 PolarHBondContact O-N 3.2Å; P631-F635 HydrophobicContact CB-CD2 4.29Å; P631-F635 HydrophobicContact CB-CE2 4.24Å; P631-F635 HydrophobicContact CG-CD2 4.45Å; P631-F635 HydrophobicContact CG-CE2 4.22Å; P631-F635 PolarHBondContact O-N 3.33Å; P631-V671 WeakPolarHBondContact CA-O 3.27Å; P631-V671 HydrophobicContact CB-CG1 3.86Å; P631-V671 HydrophobicContact CG-CG1 3.96Å
632	L	94.6	Very high	91.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-50.2	-42.2	-172.3	177.4	61.8	0	0	0	113	V548 Y551 S630 V634 F635 L636 L675	V548-L632 HydrophobicContact CG1-CD1 4.43Å; V548-L632 HydrophobicContact CG2-CB 4.42Å; V548-L632 HydrophobicContact CG2-CD1 4.48Å; Y551-L632 HydrophobicContact CD1-CD1 4.03Å; Y551-L632 HydrophobicContact CD2-CD1 4.17Å; Y551-L632 HydrophobicContact CD2-CD2 4Å; Y551-L632 HydrophobicContact CG-CD1 3.76Å; Y551-L632 HydrophobicContact CG-CD2 4.26Å; S630-L632 VanDerWaalsContact C-N 3.26Å; S630-L632 PolarHBondContact O-N 3.35Å; S630-L632 WeakPolarHBondContact OG-CB 3.47Å; S630-L632 PolarHBondContact OG-N 2.87Å; S630-L632 VanDerWaalsContact OG-N 3.1Å; L632-V634 VanDerWaalsContact C-N 3.27Å; L632-V634 PolarHBondContact O-N 3.12Å; L632-F635 PolarHBondContact O-N 3.09Å; L632-F635 VanDerWaalsContact O-N 3.11Å; L632-L636 HydrophobicContact CD1-CD1 4.2Å; L632-L636 HydrophobicContact CD1-CD2 4.14Å; L632-L636 HydrophobicContact CD1-CG 3.95Å; L632-L636 HydrophobicContact CG-CD1 3.92Å; L632-L636 HydrophobicContact CG-CG 4.14Å; L632-L636 VanDerWaalsContact O-CG 3.32Å; L632-L636 WeakPolarHBondContact O-CG 3.44Å; L632-L636 PolarHBondContact O-N 2.64Å; L632-L675 HydrophobicContact CD2-CD1 4.42Å; L632-L675 HydrophobicContact CG-CD2 4.49Å
633	A	93.4	Very high	91	Very high	6 Å²	6	33.5 Å²	33.5	5%	0.05	18%	0.179	C	C	.	.	H	α-helix	trans	-56.6	-40.2	178.9	0	0	0	0	0	112.9	P631 L636 A637 R674 L675 L678	P631-A633 PolarHBondContact O-N 2.98Å; P631-A633 VanDerWaalsContact O-N 3.11Å; A633-L636 PolarHBondContact O-N 3.23Å; A633-A637 WeakPolarHBondContact O-CB 3.4Å; A633-A637 PolarHBondContact O-N 2.97Å; A633-R674 VanDerWaalsContact CB-O 3.26Å; A633-R674 WeakPolarHBondContact CB-O 3.36Å; A633-L675 HydrophobicContact CB-CD2 3.64Å; A633-L675 HydrophobicContact CB-CG 4.28Å; A633-L678 HydrophobicContact CB-CD1 3.83Å; A633-L678 VanDerWaalsContact O-CD1 3.25Å; A633-L678 WeakPolarHBondContact O-CD1 3.45Å
634	V	92.4	Very high	89.8	Confident	49 Å²	49	32.4 Å²	32.4	30%	0.297	18%	0.182	S	C	.	.	H	α-helix	trans	-66.5	-44.7	177.6	176.5	0	0	0	0	110.5	P631 L632 L636 A637 L638 Y673	P631-V634 WeakPolarHBondContact O-CB 3.34Å; P631-V634 PolarHBondContact O-N 3.2Å; L632-V634 VanDerWaalsContact C-N 3.27Å; L632-V634 PolarHBondContact O-N 3.12Å; V634-L636 VanDerWaalsContact C-N 3.35Å; V634-L636 PolarHBondContact O-N 3.37Å; V634-A637 PolarHBondContact O-N 3.13Å; V634-L638 HydrophobicContact CG1-CD1 3.95Å; V634-L638 HydrophobicContact CG1-CG 4.32Å; V634-L638 WeakPolarHBondContact O-CB 3.13Å; V634-L638 VanDerWaalsContact O-CG 3.3Å; V634-L638 WeakPolarHBondContact O-CG 3.25Å; V634-L638 PolarHBondContact O-N 3.07Å; V634-Y673 HydrophobicContact CG2-CD1 3.45Å; V634-Y673 VanDerWaalsContact CG2-CD1 3.45Å; V634-Y673 HydrophobicContact CG2-CD2 3.5Å; V634-Y673 VanDerWaalsContact CG2-CD2 3.5Å; V634-Y673 HydrophobicContact CG2-CE1 3.57Å; V634-Y673 HydrophobicContact CG2-CE2 3.65Å; V634-Y673 HydrophobicContact CG2-CG 3.43Å; V634-Y673 VanDerWaalsContact CG2-CG 3.43Å
635	F	91.3	Very high	88.4	Confident	42 Å²	42	38 Å²	38	18%	0.184	22%	0.217	C	C	.	.	H	α-helix	trans	-59.3	-46	176.8	-83.2	-100.3	0	0	0	111.5	Y500 L545 V548 P631 L632 A637 L638 R639	Y500-F635 HydrophobicContact CE1-CE1 4.05Å; L545-F635 HydrophobicContact CD1-CZ 4.5Å; V548-F635 HydrophobicContact CG1-CB 4.1Å; V548-F635 HydrophobicContact CG1-CD1 3.76Å; V548-F635 HydrophobicContact CG1-CD2 4.28Å; V548-F635 HydrophobicContact CG1-CE1 4.23Å; V548-F635 HydrophobicContact CG1-CG 3.79Å; V548-F635 HydrophobicContact CG2-CD2 3.97Å; V548-F635 HydrophobicContact CG2-CE2 4.23Å; V548-F635 HydrophobicContact CG2-CG 4.28Å; P631-F635 HydrophobicContact CB-CD2 4.29Å; P631-F635 HydrophobicContact CB-CE2 4.24Å; P631-F635 HydrophobicContact CG-CD2 4.45Å; P631-F635 HydrophobicContact CG-CE2 4.22Å; P631-F635 PolarHBondContact O-N 3.33Å; L632-F635 PolarHBondContact O-N 3.09Å; L632-F635 VanDerWaalsContact O-N 3.11Å; F635-A637 PolarHBondContact O-N 3.07Å; F635-L638 PolarHBondContact O-N 2.86Å; F635-R639 WeakPolarHBondContact O-CB 3.46Å; F635-R639 WeakPolarHBondContact O-CD 3.45Å; F635-R639 WeakPolarHBondContact O-CG 3.34Å; F635-R639 PolarHBondContact O-N 2.85Å
636	L	90.6	Very high	87.1	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.4	-43.7	176.9	-64.3	177.3	0	0	0	111.8	Y551 L632 A633 V634 L638 R639 G640 I641 I652 L675 L678	Y551-L636 HydrophobicContact CD1-CD2 4.31Å; Y551-L636 HydrophobicContact CE1-CD2 3.58Å; Y551-L636 HydrophobicContact CE2-CD2 4.13Å; Y551-L636 VanDerWaalsContact CZ-CD2 3.46Å; Y551-L636 WeakPolarHBondContact OH-CD2 3.35Å; L632-L636 HydrophobicContact CD1-CD1 4.2Å; L632-L636 HydrophobicContact CD1-CD2 4.14Å; L632-L636 HydrophobicContact CD1-CG 3.95Å; L632-L636 HydrophobicContact CG-CD1 3.92Å; L632-L636 HydrophobicContact CG-CG 4.14Å; L632-L636 VanDerWaalsContact O-CG 3.32Å; L632-L636 WeakPolarHBondContact O-CG 3.44Å; L632-L636 PolarHBondContact O-N 2.64Å; A633-L636 PolarHBondContact O-N 3.23Å; V634-L636 VanDerWaalsContact C-N 3.35Å; V634-L636 PolarHBondContact O-N 3.37Å; L636-L638 VanDerWaalsContact C-N 3.35Å; L636-L638 PolarHBondContact O-N 2.87Å; L636-R639 PolarHBondContact O-N 2.78Å; L636-G640 PolarHBondContact O-N 2.86Å; L636-I641 HydrophobicContact CB-CB 4.36Å; L636-I641 HydrophobicContact CB-CD1 3.78Å; L636-I641 HydrophobicContact CD2-CD1 3.5Å; L636-I641 VanDerWaalsContact CD2-CD1 3.5Å; L636-I641 HydrophobicContact CG-CD1 4.1Å; L636-I641 WeakPolarHBondContact O-CB 3.48Å; L636-I641 PolarHBondContact O-N 2.68Å; L636-I641 VanDerWaalsContact O-N 3.09Å; L636-I652 HydrophobicContact CD1-CG2 3.64Å; L636-L675 HydrophobicContact CD1-CD2 3.84Å; L636-L678 HydrophobicContact CB-CD1 4.18Å
637	A	88.6	Confident	85.8	Confident	32 Å²	32	40.7 Å²	40.7	26%	0.264	24%	0.238	S	C	.	.	H	α-helix	trans	-62.4	-40.9	176.6	0	0	0	0	0	112.3	A633 V634 F635 R639 G640 R642 L678	A633-A637 WeakPolarHBondContact O-CB 3.4Å; A633-A637 PolarHBondContact O-N 2.97Å; V634-A637 PolarHBondContact O-N 3.13Å; F635-A637 PolarHBondContact O-N 3.07Å; A637-R639 VanDerWaalsContact C-N 3.31Å; A637-G640 PolarHBondContact O-N 3.19Å; A637-R642 PolarHBondContact O-NH1 2.86Å; A637-L678 HydrophobicContact CB-CD2 4.14Å
638	L	86.6	Confident	84.7	Confident	143 Å²	143	44.9 Å²	44.9	75%	0.749	26%	0.257	S	S	*	.	H	α-helix	trans	-67.8	-31.2	176.2	-69.9	175.1	0	0	0	112.3	V634 F635 L636 G640	V634-L638 HydrophobicContact CG1-CD1 3.95Å; V634-L638 HydrophobicContact CG1-CG 4.32Å; V634-L638 WeakPolarHBondContact O-CB 3.13Å; V634-L638 VanDerWaalsContact O-CG 3.3Å; V634-L638 WeakPolarHBondContact O-CG 3.25Å; V634-L638 PolarHBondContact O-N 3.07Å; F635-L638 PolarHBondContact O-N 2.86Å; L636-L638 VanDerWaalsContact C-N 3.35Å; L636-L638 PolarHBondContact O-N 2.87Å; L638-G640 PolarHBondContact O-N 3.37Å
639	R	85.7	Confident	83.8	Confident	56 Å²	56	46 Å²	46	21%	0.211	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	5.1	172.5	-68.5	167	-176.2	-179.7	-1	113.9	Y500 D552 W557 F635 L636 A637	Y500-R639 PolarHBondContact OH-NH2 3.5Å; D552-R639 VanDerWaalsContact CG-NH2 3.3Å; D552-R639 IonicContact OD1-CZ 2.87Å; D552-R639 IonicContact OD1-NH1 3.54Å; D552-R639 PolarHBondContact OD1-NH1 2.86Å; D552-R639 IonicContact OD1-NH2 3.08Å; D552-R639 PolarHBondContact OD1-NH2 2.61Å; D552-R639 IonicContact OD2-CZ 3.7Å; D552-R639 IonicContact OD2-NH2 3.71Å; D552-R639 PolarHBondContact OD2-NH2 2.98Å; W557-R639 VanDerWaalsContact CE3-NH2 3.26Å; W557-R639 HydrophobicContact CH2-CG 4.19Å; W557-R639 HydrophobicContact CZ2-CG 3.6Å; F635-R639 WeakPolarHBondContact O-CB 3.46Å; F635-R639 WeakPolarHBondContact O-CD 3.45Å; F635-R639 WeakPolarHBondContact O-CG 3.34Å; F635-R639 PolarHBondContact O-N 2.85Å; L636-R639 PolarHBondContact O-N 2.78Å; A637-R639 VanDerWaalsContact C-N 3.31Å
640	G	80.2	Confident	83.1	Confident	44 Å²	44	49.2 Å²	49.2	45%	0.454	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	5.3	177.2	0	0	0	0	0	114.6	L636 A637 L638 R642	L636-G640 PolarHBondContact O-N 2.86Å; A637-G640 PolarHBondContact O-N 3.19Å; L638-G640 PolarHBondContact O-N 3.37Å; G640-R642 PolarHBondContact O-N 2.87Å
641	I	82.9	Confident	82.2	Confident	36 Å²	36	52.3 Å²	52.3	19%	0.185	29%	0.294	C	S	.	.			trans	-64.3	131.9	171.8	-64.8	167.4	0	0	0	108.4	L636	L636-I641 HydrophobicContact CB-CB 4.36Å; L636-I641 HydrophobicContact CB-CD1 3.78Å; L636-I641 HydrophobicContact CD2-CD1 3.5Å; L636-I641 VanDerWaalsContact CD2-CD1 3.5Å; L636-I641 HydrophobicContact CG-CD1 4.1Å; L636-I641 WeakPolarHBondContact O-CB 3.48Å; L636-I641 PolarHBondContact O-N 2.68Å; L636-I641 VanDerWaalsContact O-N 3.09Å
642	R	79.7	Confident	81.7	Confident	159 Å²	159	51.8 Å²	51.8	60%	0.6	29%	0.29	S	S	*	.			trans	-126.7	155.7	179.8	-62.7	-63.5	175.1	-102.9	1.7	109	A637 G640 G644	A637-R642 PolarHBondContact O-NH1 2.86Å; G640-R642 PolarHBondContact O-N 2.87Å; R642-G644 PolarHBondContact O-N 2.91Å
643	P	79.9	Confident	81.3	Confident	54 Å²	54	51.8 Å²	51.8	35%	0.351	29%	0.29	S	S	.	.			trans	-53.3	126.4	175.6	-22.9	33.2	0	0	0	111	P677 L678 K681	P643-P677 WeakPolarHBondContact CG-O 3.4Å; P643-L678 VanDerWaalsContact CA-O 3.31Å; P643-L678 WeakPolarHBondContact CA-O 3.3Å; P643-K681 HydrophobicContact CB-CB 3.97Å; P643-K681 HydrophobicContact CG-CB 4.18Å
644	G	70.2	Confident	80.9	Confident	30 Å²	30	53.4 Å²	53.4	31%	0.309	30%	0.3	S	S	.	.			trans	-81.5	-174.8	177.7	0	0	0	0	0	112.2	R642 I679	R642-G644 PolarHBondContact O-N 2.91Å; G644-I679 PolarHBondContact N-O 3.03Å
645	T	67.3	Low	80.6	Confident	128 Å²	128	54 Å²	54	79%	0.785	30%	0.304	S	S	*	.	S	Bend	trans	-103.6	-7.3	172	51.5	0	0	0	0	112.8	L817	T645-L817 VanDerWaalsContact O-CD1 3.31Å; T645-L817 WeakPolarHBondContact O-CD1 3.37Å
646	S	69.9	Low	80.2	Confident	48 Å²	48	56.5 Å²	56.5	34%	0.336	33%	0.327	S	S	.	.	S	Bend	trans	-93	143	177.7	52.6	0	0	0	0	111.8	H648	S646-H648 PolarHBondContact O-N 3.48Å
647	G	70.3	Confident	80.1	Confident	11 Å²	11	59.1 Å²	59.1	11%	0.113	34%	0.34	C	S	.	.	S	Bend	trans	-81.2	11.1	173.7	0	0	0	0	0	115.1	L819 E820	G647-L819 WeakPolarHBondContact O-CA 3.33Å; G647-L819 WeakPolarHBondContact O-CD2 3.39Å; G647-E820 PolarHBondContact O-N 2.76Å
648	H	75.1	Confident	80.2	Confident	87 Å²	87	57.6 Å²	57.6	40%	0.403	33%	0.328	S	S	.	.	S	Bend	trans	-100.8	155.4	-178.4	-56.5	-68.6	0	0	0	111.5	S646 D650 H651 E820	S646-H648 PolarHBondContact O-N 3.48Å; H648-D650 PolarHBondContact O-N 3.01Å; H648-H651 PolarHBondContact O-CE1 3.46Å; H648-H651 PolarHBondContact O-ND1 3.19Å; H648-E820 IonicContact CE1-OE2 2.98Å; H648-E820 PolarHBondContact CE1-OE2 3.41Å; H648-E820 IonicContact ND1-OE2 2.82Å; H648-E820 PolarHBondContact ND1-OE2 3.07Å
649	Q	77.7	Confident	80.4	Confident	25 Å²	25	52.7 Å²	52.7	12%	0.117	31%	0.305	C	S	.	.	S	Bend	trans	-75.1	-10.1	177.1	66.2	174.4	26.7	0	0	113.7	H651 I652 L653 T655 C658 I823	Q649-H651 VanDerWaalsContact C-N 3.29Å; Q649-H651 PolarHBondContact O-N 2.75Å; Q649-H651 VanDerWaalsContact O-N 3.16Å; Q649-I652 CarbonylContact O-C 3.54Å; Q649-I652 WeakPolarHBondContact O-CA 3.22Å; Q649-I652 PolarHBondContact O-N 3.47Å; Q649-L653 PolarHBondContact O-N 3.07Å; Q649-T655 HydrophobicContact CG-CG2 3.98Å; Q649-T655 VanDerWaalsContact NE2-CG2 3.32Å; Q649-C658 PolarHBondContact NE2-O 3.46Å; Q649-I823 HydrophobicContact CB-CD1 4.07Å
650	D	79.4	Confident	80.7	Confident	69 Å²	69	51 Å²	51	37%	0.369	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.3	-164.3	-69	-31.9	0	0	0	115.1	H648 I652 T655	H648-D650 PolarHBondContact O-N 3.01Å; D650-I652 PolarHBondContact O-N 2.84Å; D650-T655 WeakPolarHBondContact OD1-CB 3.3Å; D650-T655 WeakPolarHBondContact OD1-CG2 3.38Å; D650-T655 PolarHBondContact OD1-N 3.12Å; D650-T655 PolarHBondContact OD1-OG1 3.36Å
651	H	76.7	Confident	81.4	Confident	65 Å²	65	49 Å²	49	30%	0.301	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-12.1	175.3	70	-68	0	0	0	113	H648 Q649 L678 I679	H648-H651 PolarHBondContact O-CE1 3.46Å; H648-H651 PolarHBondContact O-ND1 3.19Å; Q649-H651 VanDerWaalsContact C-N 3.29Å; Q649-H651 PolarHBondContact O-N 2.75Å; Q649-H651 VanDerWaalsContact O-N 3.16Å; H651-L678 PolarHBondContact NE2-O 3.47Å; H651-I679 VanDerWaalsContact CE1-CG2 3.45Å; H651-I679 WeakPolarHBondContact CE1-CG2 3.37Å; H651-I679 WeakPolarHBondContact NE2-CA 3.38Å
652	I	83.8	Confident	82.1	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-60.5	169.4	-63.3	-173.9	0	0	0	109.6	Y551 L636 Q649 D650 L661 L678 I679	Y551-I652 HydrophobicContact CE2-CG2 4.27Å; Y551-I652 WeakPolarHBondContact CE2-O 3.49Å; Y551-I652 PolarHBondContact OH-O 2.94Å; L636-I652 HydrophobicContact CD1-CG2 3.64Å; Q649-I652 CarbonylContact O-C 3.54Å; Q649-I652 WeakPolarHBondContact O-CA 3.22Å; Q649-I652 PolarHBondContact O-N 3.47Å; D650-I652 PolarHBondContact O-N 2.84Å; I652-L661 HydrophobicContact CG2-CD2 4.41Å; I652-L678 HydrophobicContact CD1-CB 4.01Å; I652-I679 HydrophobicContact CD1-CD1 4.05Å; I652-I679 HydrophobicContact CD1-CG1 3.33Å; I652-I679 HydrophobicContact CG1-CG1 4.16Å
653	L	85.3	Confident	82.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-137.4	107	179.9	-173.3	63.1	0	0	0	109.1	Y551 T555 F625 Q649 T655 C658 L661	Y551-L653 HydrophobicContact CD2-CD1 4.28Å; Y551-L653 HydrophobicContact CE2-CB 4.37Å; Y551-L653 HydrophobicContact CE2-CD1 4.18Å; T555-L653 HydrophobicContact CG2-CD1 3.74Å; F625-L653 HydrophobicContact CD1-CD2 4.07Å; Q649-L653 PolarHBondContact O-N 3.07Å; L653-T655 PolarHBondContact O-N 2.81Å; L653-C658 HydrophobicContact CD2-CB 3.53Å; L653-C658 HydrophobicContact CG-CB 3.93Å; L653-L661 HydrophobicContact CB-CD2 4.25Å; L653-L661 HydrophobicContact CD2-CB 4.31Å; L653-L661 HydrophobicContact CD2-CD1 4.08Å; L653-L661 HydrophobicContact CD2-CD2 4.35Å; L653-L661 HydrophobicContact CD2-CG 4.49Å
654	P	85.4	Confident	83.7	Confident	39 Å²	39	37.2 Å²	37.2	25%	0.253	22%	0.224	S	C	.	.			trans	-54.7	131.8	178.5	-28.1	34.7	0	0	0	112.9	S656 I657 C658	P654-S656 PolarHBondContact O-N 2.78Å; P654-S656 VanDerWaalsContact O-N 3.15Å; P654-I657 HydrophobicContact CB-CD1 4.22Å; P654-I657 HydrophobicContact CB-CG1 4.28Å; P654-I657 HydrophobicContact CG-CD1 4.1Å; P654-I657 PolarHBondContact O-N 3.26Å; P654-C658 PolarHBondContact O-N 2.94Å; P654-C658 VanDerWaalsContact O-N 3.07Å
655	T	86.2	Confident	84.9	Confident	63 Å²	63	36.4 Å²	36.4	39%	0.387	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.1	173.8	46.5	0	0	0	0	113.6	Q649 D650 L653 I657 C658	Q649-T655 HydrophobicContact CG-CG2 3.98Å; Q649-T655 VanDerWaalsContact NE2-CG2 3.32Å; D650-T655 WeakPolarHBondContact OD1-CB 3.3Å; D650-T655 WeakPolarHBondContact OD1-CG2 3.38Å; D650-T655 PolarHBondContact OD1-N 3.12Å; D650-T655 PolarHBondContact OD1-OG1 3.36Å; L653-T655 PolarHBondContact O-N 2.81Å; T655-I657 VanDerWaalsContact C-N 3.28Å; T655-I657 PolarHBondContact O-N 2.84Å; T655-C658 VanDerWaalsContact CA-O 3.29Å; T655-C658 WeakPolarHBondContact CA-O 3.27Å; T655-C658 CarbonylContact O-C 3.46Å
656	S	83.6	Confident	86.1	Confident	93 Å²	93	31.1 Å²	31.1	65%	0.65	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-28.6	172.4	61	0	0	0	0	113.3	P654	P654-S656 PolarHBondContact O-N 2.78Å; P654-S656 VanDerWaalsContact O-N 3.15Å
657	I	86.9	Confident	87.1	Confident	56 Å²	56	30.7 Å²	30.7	29%	0.287	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-43.8	178.8	-60.2	173.8	0	0	0	110.2	M554 P654 T655	M554-I657 HydrophobicContact CB-CG2 3.93Å; M554-I657 HydrophobicContact CE-CG2 3.94Å; M554-I657 WeakPolarHBondContact O-CG2 3.44Å; P654-I657 HydrophobicContact CB-CD1 4.22Å; P654-I657 HydrophobicContact CB-CG1 4.28Å; P654-I657 HydrophobicContact CG-CD1 4.1Å; P654-I657 PolarHBondContact O-N 3.26Å; T655-I657 VanDerWaalsContact C-N 3.28Å; T655-I657 PolarHBondContact O-N 2.84Å
658	C	91.3	Very high	87.9	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	115	-178.6	-173.9	0	0	0	0	110.6	M554 V622 F625 Q649 L653 P654 T655 R660	M554-C658 HydrophobicContact CE-CB 3.58Å; V622-C658 WeakPolarHBondContact O-CA 3.48Å; F625-C658 WeakPolarHBondContact CB-SG 3.26Å; Q649-C658 PolarHBondContact NE2-O 3.46Å; L653-C658 HydrophobicContact CD2-CB 3.53Å; L653-C658 HydrophobicContact CG-CB 3.93Å; P654-C658 PolarHBondContact O-N 2.94Å; P654-C658 VanDerWaalsContact O-N 3.07Å; T655-C658 VanDerWaalsContact CA-O 3.29Å; T655-C658 WeakPolarHBondContact CA-O 3.27Å; T655-C658 CarbonylContact O-C 3.46Å; C658-R660 PolarHBondContact O-N 2.67Å; C658-R660 PolarHBondContact SG-O 3.43Å
659	S	91.1	Very high	88.7	Confident	39 Å²	39	27.6 Å²	27.6	27%	0.273	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	-37.6	-176.2	-49.9	0	0	0	0	111.5	V622 E623	V622-S659 PolarHBondContact O-N 2.77Å; E623-S659 WeakPolarHBondContact O-CA 3.32Å; E623-S659 WeakPolarHBondContact O-CB 3.26Å; E623-S659 PolarHBondContact O-N 3.49Å; E623-S659 WeakPolarHBondContact OE2-CB 3.24Å; E623-S659 PolarHBondContact OE2-OG 3.12Å
660	R	92.4	Very high	89.1	Confident	20 Å²	20	30.6 Å²	30.6	8%	0.075	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	131	178	-165	165.9	177.2	-148.6	-2.2	115.1	E623 N624 F625 C658 F662	E623-R660 PolarHBondContact O-N 2.93Å; N624-R660 WeakPolarHBondContact CA-O 3.48Å; N624-R660 WeakPolarHBondContact OD1-CB 3.37Å; F625-R660 PolarHBondContact N-O 2.78Å; C658-R660 PolarHBondContact O-N 2.67Å; C658-R660 PolarHBondContact SG-O 3.43Å; R660-F662 HydrophobicContact CB-CE2 3.84Å; R660-F662 HydrophobicContact CB-CZ 4.37Å; R660-F662 HydrophobicContact CG-CD2 4.11Å; R660-F662 HydrophobicContact CG-CE1 4.37Å; R660-F662 HydrophobicContact CG-CE2 3.51Å; R660-F662 HydrophobicContact CG-CZ 3.71Å; R660-F662 VanDerWaalsContact NE-CZ 3.35Å
661	L	95.1	Very high	89.5	Confident	3 Å²	3	29.7 Å²	29.7	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	134.6	172.9	-178.9	60.5	0	0	0	111.5	F625 I652 L653 L675 I823	F625-L661 HydrophobicContact CB-CD1 4.35Å; F625-L661 HydrophobicContact CD1-CD1 3.59Å; F625-L661 HydrophobicContact CE1-CD1 4.25Å; F625-L661 HydrophobicContact CG-CD1 4.24Å; I652-L661 HydrophobicContact CG2-CD2 4.41Å; L653-L661 HydrophobicContact CB-CD2 4.25Å; L653-L661 HydrophobicContact CD2-CB 4.31Å; L653-L661 HydrophobicContact CD2-CD1 4.08Å; L653-L661 HydrophobicContact CD2-CD2 4.35Å; L653-L661 HydrophobicContact CD2-CG 4.49Å; L661-L675 HydrophobicContact CD2-CD1 3.91Å; L661-L675 HydrophobicContact CG-CD1 4.41Å; L661-I823 HydrophobicContact CD2-CG2 4.48Å; L661-I823 HydrophobicContact CG-CG2 4.2Å
662	F	96.5	Very high	90.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.4	174	-58.3	-99.2	0	0	0	110.5	N624 F625 F626 C627 R660 F825 F855 F859	N624-F662 HydrophobicContact CB-CD2 4.43Å; N624-F662 HydrophobicContact CB-CE2 3.89Å; N624-F662 WeakPolarHBondContact OD1-CE2 3.23Å; F625-F662 PolarHBondContact O-N 3.06Å; F626-F662 HydrophobicContact CD1-CB 3.63Å; F626-F662 HydrophobicContact CD1-CD1 4.34Å; F626-F662 AromaticContact CD1-CD2 3.58Å; F626-F662 HydrophobicContact CD1-CD2 3.58Å; F626-F662 HydrophobicContact CD1-CE2 4.21Å; F626-F662 AromaticContact CD1-CG 3.63Å; F626-F662 HydrophobicContact CD1-CG 3.63Å; F626-F662 HydrophobicContact CE1-CB 4.17Å; F626-F662 HydrophobicContact CE1-CD1 4.04Å; F626-F662 AromaticContact CE1-CD2 3.4Å; F626-F662 HydrophobicContact CE1-CD2 3.4Å; F626-F662 VanDerWaalsContact CE1-CD2 3.4Å; F626-F662 HydrophobicContact CE1-CE1 4.14Å; F626-F662 AromaticContact CE1-CE2 3.56Å; F626-F662 HydrophobicContact CE1-CE2 3.56Å; F626-F662 AromaticContact CE1-CG 3.64Å; F626-F662 HydrophobicContact CE1-CG 3.64Å; F626-F662 AromaticContact CE1-CZ 3.88Å; F626-F662 HydrophobicContact CE1-CZ 3.88Å; F626-F662 HydrophobicContact CG-CB 4.42Å; F626-F662 HydrophobicContact CG-CD2 4.26Å; F626-F662 AromaticContact CZ-CD2 3.97Å; F626-F662 HydrophobicContact CZ-CD2 3.97Å; F626-F662 AromaticContact CZ-CE2 3.78Å; F626-F662 HydrophobicContact CZ-CE2 3.78Å; F626-F662 HydrophobicContact CZ-CZ 4.22Å; C627-F662 WeakPolarHBondContact CB-O 3.37Å; C627-F662 PolarHBondContact N-O 3.44Å; R660-F662 HydrophobicContact CB-CE2 3.84Å; R660-F662 HydrophobicContact CB-CZ 4.37Å; R660-F662 HydrophobicContact CG-CD2 4.11Å; R660-F662 HydrophobicContact CG-CE1 4.37Å; R660-F662 HydrophobicContact CG-CE2 3.51Å; R660-F662 HydrophobicContact CG-CZ 3.71Å; R660-F662 VanDerWaalsContact NE-CZ 3.35Å; F662-F825 HydrophobicContact CD1-CD2 4.2Å; F662-F825 AromaticContact CD1-CE2 3.64Å; F662-F825 HydrophobicContact CD1-CE2 3.64Å; F662-F825 HydrophobicContact CD1-CZ 4.32Å; F662-F825 HydrophobicContact CE1-CE2 4.34Å; F662-F855 HydrophobicContact CD1-CE1 4.32Å; F662-F855 AromaticContact CD1-CZ 3.92Å; F662-F855 HydrophobicContact CD1-CZ 3.92Å; F662-F855 HydrophobicContact CE1-CZ 4.43Å; F662-F859 HydrophobicContact CD1-CD2 4.32Å; F662-F859 HydrophobicContact CD1-CE2 4.31Å; F662-F859 HydrophobicContact CE1-CB 4.33Å; F662-F859 AromaticContact CE1-CD1 4Å; F662-F859 HydrophobicContact CE1-CD1 4Å; F662-F859 AromaticContact CE1-CD2 3.48Å; F662-F859 HydrophobicContact CE1-CD2 3.48Å; F662-F859 VanDerWaalsContact CE1-CD2 3.48Å; F662-F859 HydrophobicContact CE1-CE1 4.12Å; F662-F859 AromaticContact CE1-CE2 3.62Å; F662-F859 HydrophobicContact CE1-CE2 3.62Å; F662-F859 AromaticContact CE1-CG 3.65Å; F662-F859 HydrophobicContact CE1-CG 3.65Å; F662-F859 AromaticContact CE1-CZ 3.89Å; F662-F859 HydrophobicContact CE1-CZ 3.89Å; F662-F859 HydrophobicContact CZ-CB 3.84Å; F662-F859 HydrophobicContact CZ-CD1 4Å; F662-F859 AromaticContact CZ-CD2 3.89Å; F662-F859 HydrophobicContact CZ-CD2 3.89Å; F662-F859 HydrophobicContact CZ-CE2 4.42Å; F662-F859 AromaticContact CZ-CG 3.62Å; F662-F859 HydrophobicContact CZ-CG 3.62Å
663	N	97.1	Very high	90.9	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	106.6	173.7	-175.1	41.5	0	0	0	109.6	Y673 L675 I823 D824 F825	N663-Y673 PolarHBondContact ND2-O 3.27Å; N663-L675 HydrophobicContact CB-CD1 3.96Å; N663-L675 HydrophobicContact CB-CG 4.36Å; N663-I823 HydrophobicContact CB-CG2 4.15Å; N663-I823 PolarHBondContact N-O 3.18Å; N663-D824 PolarHBondContact ND2-OD1 2.89Å; N663-F825 PolarHBondContact O-N 3.41Å
664	V	97	Very high	91.3	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	127.6	-178.1	178.4	0	0	0	0	109.3	C627 M628 G629 I691 F825 F855	C627-V664 PolarHBondContact O-N 3.36Å; M628-V664 WeakPolarHBondContact CA-O 3.2Å; M628-V664 HydrophobicContact CG-CB 4.37Å; G629-V664 PolarHBondContact N-O 3.28Å; V664-I691 HydrophobicContact CG1-CD1 3.64Å; V664-I691 HydrophobicContact CG2-CD1 4.44Å; V664-F825 WeakPolarHBondContact CA-O 3.37Å; V664-F825 HydrophobicContact CG2-CB 4.32Å; V664-F855 HydrophobicContact CG2-CD1 4.12Å; V664-F855 HydrophobicContact CG2-CE1 3.49Å; V664-F855 VanDerWaalsContact CG2-CE1 3.49Å; V664-F855 HydrophobicContact CG2-CZ 3.91Å
665	F	95.6	Very high	91.7	Very high	12 Å²	12	33.3 Å²	33.3	5%	0.053	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	154.1	179.6	57.8	-89.7	0	0	0	113.2	A672 R674 P688 D824 F825 E826 L827	F665-A672 HydrophobicContact CB-CB 3.49Å; F665-A672 VanDerWaalsContact CB-CB 3.49Å; F665-A672 HydrophobicContact CG-CB 4.4Å; F665-R674 HydrophobicContact CE1-CG 3.95Å; F665-R674 HydrophobicContact CE2-CG 4.38Å; F665-R674 HydrophobicContact CZ-CG 3.62Å; F665-P688 HydrophobicContact CE1-CB 4.35Å; F665-P688 HydrophobicContact CE2-CG 4.3Å; F665-P688 HydrophobicContact CZ-CB 3.7Å; F665-P688 HydrophobicContact CZ-CG 3.83Å; F665-D824 HydrophobicContact CE1-CB 3.96Å; F665-D824 HydrophobicContact CZ-CB 4.49Å; F665-F825 PolarHBondContact N-O 2.94Å; F665-E826 HydrophobicContact CD2-CG 4.37Å; F665-E826 HydrophobicContact CE2-CB 3.98Å; F665-E826 HydrophobicContact CE2-CG 3.95Å; F665-E826 HydrophobicContact CZ-CB 4.2Å; F665-E826 WeakPolarHBondContact O-CA 3.15Å; F665-L827 PolarHBondContact O-N 3.47Å
666	H	92.1	Very high	92.1	Very high	17 Å²	17	30.3 Å²	30.3	8%	0.079	17%	0.17	C	C	.	.			trans	-89.7	138.3	165.9	-167	-87.1	0	0	0	109.7	T668 D669 L827 E833 Y846	H666-T668 PolarHBondContact CE1-OG1 3.45Å; H666-T668 PolarHBondContact ND1-N 3.39Å; H666-T668 PolarHBondContact ND1-OG1 3.29Å; H666-T668 PolarHBondContact O-N 3.17Å; H666-T668 VanDerWaalsContact O-N 3.12Å; H666-D669 HydrophobicContact CB-CB 4.24Å; H666-D669 WeakPolarHBondContact O-CB 3.42Å; H666-D669 PolarHBondContact O-N 2.99Å; H666-L827 HydrophobicContact CB-CD1 4.3Å; H666-E833 IonicContact NE2-OE2 3.53Å; H666-Y846 HydrophobicContact CB-CE1 4.39Å; H666-Y846 PolarHBondContact N-OH 3.49Å
667	P	89.8	Confident	92.6	Very high	40 Å²	40	27.3 Å²	27.3	26%	0.26	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.6	-177.3	19.5	-32.3	0	0	0	114.3	E826 L827 E829	P667-E826 HydrophobicContact CG-CG 4.48Å; P667-L827 VanDerWaalsContact CD-O 3.28Å; P667-L827 WeakPolarHBondContact CD-O 3.38Å; P667-E829 HydrophobicContact CG-CG 3.76Å
668	T	89	Confident	92.7	Very high	24 Å²	24	25.8 Å²	25.8	15%	0.147	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	1.3	179.1	70.6	0	0	0	0	114	H666 P670 S838 S842	H666-T668 PolarHBondContact CE1-OG1 3.45Å; H666-T668 PolarHBondContact ND1-N 3.39Å; H666-T668 PolarHBondContact ND1-OG1 3.29Å; H666-T668 PolarHBondContact O-N 3.17Å; H666-T668 VanDerWaalsContact O-N 3.12Å; T668-P670 WeakPolarHBondContact O-CD 3.48Å; T668-S838 PolarHBondContact OG1-O 3.13Å; T668-S842 PolarHBondContact O-OG 3.21Å; T668-S842 PolarHBondContact OG1-OG 2.75Å
669	D	90	Very high	92.5	Very high	8 Å²	8	25.8 Å²	25.8	4%	0.043	14%	0.14	C	C	.	.			trans	-72.3	116.1	178.1	-176.8	-19.4	0	0	0	109.4	G629 H666 V671 A672 S842 H843 Y846	G629-D669 VanDerWaalsContact CA-OD2 3.3Å; G629-D669 WeakPolarHBondContact CA-OD2 3.34Å; H666-D669 HydrophobicContact CB-CB 4.24Å; H666-D669 WeakPolarHBondContact O-CB 3.42Å; H666-D669 PolarHBondContact O-N 2.99Å; D669-V671 PolarHBondContact O-N 3.1Å; D669-V671 PolarHBondContact OD1-N 3.37Å; D669-A672 HydrophobicContact CB-CB 3.82Å; D669-A672 PolarHBondContact O-N 3.17Å; D669-S842 WeakPolarHBondContact CA-OG 3.4Å; D669-S842 PolarHBondContact N-OG 3.45Å; D669-H843 VanDerWaalsContact CG-ND1 3.34Å; D669-H843 IonicContact OD1-CG 2.67Å; D669-H843 IonicContact OD1-ND1 2.84Å; D669-H843 PolarHBondContact OD1-ND1 2.78Å; D669-H843 IonicContact OD2-CE1 3.78Å; D669-H843 IonicContact OD2-CG 3.69Å; D669-H843 IonicContact OD2-ND1 2.95Å; D669-H843 PolarHBondContact OD2-ND1 2.93Å; D669-Y846 WeakPolarHBondContact CB-OH 3.42Å; D669-Y846 VanDerWaalsContact OD2-CE2 3.25Å; D669-Y846 WeakPolarHBondContact OD2-CE2 3.39Å; D669-Y846 PolarHBondContact OD2-OH 3.29Å
670	P	86.8	Confident	92.4	Very high	89 Å²	89	24.3 Å²	24.3	58%	0.578	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-14.2	-174	28.9	-34.9	0	0	0	114	T668	T668-P670 WeakPolarHBondContact O-CD 3.48Å
671	V	88.6	Confident	92.2	Very high	50 Å²	50	31 Å²	31	30%	0.303	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-11.8	-176.4	-174.3	0	0	0	0	111.7	S630 P631 D669 Y673	S630-V671 CarbonylContact C-O 3.52Å; P631-V671 WeakPolarHBondContact CA-O 3.27Å; P631-V671 HydrophobicContact CB-CG1 3.86Å; P631-V671 HydrophobicContact CG-CG1 3.96Å; D669-V671 PolarHBondContact O-N 3.1Å; D669-V671 PolarHBondContact OD1-N 3.37Å; V671-Y673 WeakPolarHBondContact O-CD2 3.49Å; V671-Y673 WeakPolarHBondContact O-CE2 3.45Å
672	A	93.4	Very high	91.9	Very high	17 Å²	17	33.5 Å²	33.5	14%	0.14	17%	0.17	C	C	.	.			trans	-86.9	134.7	-175.9	0	0	0	0	0	113	S630 F665 D669	S630-A672 WeakPolarHBondContact O-CA 3.26Å; F665-A672 HydrophobicContact CB-CB 3.49Å; F665-A672 VanDerWaalsContact CB-CB 3.49Å; F665-A672 HydrophobicContact CG-CB 4.4Å; D669-A672 HydrophobicContact CB-CB 3.82Å; D669-A672 PolarHBondContact O-N 3.17Å
673	Y	95.1	Very high	91.6	Very high	112 Å²	112	33.8 Å²	33.8	44%	0.439	17%	0.171	S	C	.	.			trans	-134.5	152.2	-179.6	-66.6	-99.6	0	0	0	112.3	S630 V634 N663 V671	S630-Y673 PolarHBondContact O-N 3.3Å; V634-Y673 HydrophobicContact CG2-CD1 3.45Å; V634-Y673 VanDerWaalsContact CG2-CD1 3.45Å; V634-Y673 HydrophobicContact CG2-CD2 3.5Å; V634-Y673 VanDerWaalsContact CG2-CD2 3.5Å; V634-Y673 HydrophobicContact CG2-CE1 3.57Å; V634-Y673 HydrophobicContact CG2-CE2 3.65Å; V634-Y673 HydrophobicContact CG2-CG 3.43Å; V634-Y673 VanDerWaalsContact CG2-CG 3.43Å; N663-Y673 PolarHBondContact ND2-O 3.27Å; V671-Y673 WeakPolarHBondContact O-CD2 3.49Å; V671-Y673 WeakPolarHBondContact O-CE2 3.45Å
674	R	95.4	Very high	91.2	Very high	53 Å²	53	36.5 Å²	36.5	20%	0.2	19%	0.19	C	C	.	.			trans	-78.6	135.5	-178.6	-73.3	-172.8	61.9	-165.1	-0.1	112.9	A633 F665 E676 P677 Y683 V686 D824	A633-R674 VanDerWaalsContact CB-O 3.26Å; A633-R674 WeakPolarHBondContact CB-O 3.36Å; F665-R674 HydrophobicContact CE1-CG 3.95Å; F665-R674 HydrophobicContact CE2-CG 4.38Å; F665-R674 HydrophobicContact CZ-CG 3.62Å; R674-E676 IonicContact NH2-OE2 3.86Å; R674-P677 HydrophobicContact CB-CG 4.11Å; R674-Y683 PolarHBondContact NH1-O 3.04Å; R674-Y683 PolarHBondContact NH2-O 3.42Å; R674-V686 VanDerWaalsContact CZ-O 3.23Å; R674-V686 PolarHBondContact NH1-O 3.17Å; R674-V686 PolarHBondContact NH2-O 3.45Å; R674-D824 VanDerWaalsContact CB-OD2 3.26Å; R674-D824 WeakPolarHBondContact CB-OD2 3.5Å; R674-D824 IonicContact CZ-OD2 2.78Å; R674-D824 IonicContact NE-OD2 3.47Å; R674-D824 PolarHBondContact NE-OD2 3.35Å; R674-D824 VanDerWaalsContact NE-OD2 3.08Å; R674-D824 IonicContact NH2-OD2 3.42Å
675	L	93.8	Very high	90.9	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.21	C	C	.	.	S	Bend	trans	-94.3	-34.8	178.5	-77	177.7	0	0	0	113.4	L632 A633 L636 L661 N663 P677 L678 I823 D824	L632-L675 HydrophobicContact CD2-CD1 4.42Å; L632-L675 HydrophobicContact CG-CD2 4.49Å; A633-L675 HydrophobicContact CB-CD2 3.64Å; A633-L675 HydrophobicContact CB-CG 4.28Å; L636-L675 HydrophobicContact CD1-CD2 3.84Å; L661-L675 HydrophobicContact CD2-CD1 3.91Å; L661-L675 HydrophobicContact CG-CD1 4.41Å; N663-L675 HydrophobicContact CB-CD1 3.96Å; N663-L675 HydrophobicContact CB-CG 4.36Å; L675-P677 VanDerWaalsContact C-N 3.32Å; L675-L678 HydrophobicContact CD2-CD1 4.38Å; L675-L678 WeakPolarHBondContact O-CB 3.38Å; L675-L678 PolarHBondContact O-N 2.95Å; L675-I823 HydrophobicContact CB-CG2 4.35Å; L675-I823 HydrophobicContact CD1-CG2 4.39Å; L675-D824 PolarHBondContact N-OD1 3.28Å; L675-D824 PolarHBondContact N-OD2 3.09Å
676	E	94.2	Very high	90.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-55.1	-38.5	-176.2	-65.5	177.6	158.8	0	0	113.8	R674 L678 I679 L680 Y683 L819 R822 I823 D824	R674-E676 IonicContact NH2-OE2 3.86Å; E676-L678 PolarHBondContact O-N 3.06Å; E676-I679 WeakPolarHBondContact O-CB 3.1Å; E676-I679 PolarHBondContact O-N 2.98Å; E676-L680 PolarHBondContact O-N 2.94Å; E676-Y683 HydrophobicContact CB-CD1 3.93Å; E676-Y683 HydrophobicContact CB-CG 4.19Å; E676-Y683 HydrophobicContact CG-CD1 4.37Å; E676-Y683 WeakPolarHBondContact OE2-CD1 3.42Å; E676-L819 HydrophobicContact CB-CD1 4.03Å; E676-L819 HydrophobicContact CG-CD1 3.72Å; E676-R822 IonicContact OE1-CZ 3.49Å; E676-R822 IonicContact OE1-NE 3.56Å; E676-R822 PolarHBondContact OE1-NE 2.84Å; E676-R822 IonicContact OE1-NH2 4Å; E676-R822 PolarHBondContact OE1-NH2 2.86Å; E676-R822 IonicContact OE2-CZ 2.9Å; E676-R822 IonicContact OE2-NE 3.54Å; E676-R822 PolarHBondContact OE2-NE 3.45Å; E676-R822 IonicContact OE2-NH2 3.39Å; E676-R822 PolarHBondContact OE2-NH2 2.8Å; E676-I823 HydrophobicContact CG-CB 4.05Å; E676-I823 PolarHBondContact OE1-N 2.87Å; E676-D824 WeakPolarHBondContact CB-OD2 3.27Å; E676-D824 HydrophobicContact CG-CB 3.89Å; E676-D824 WeakPolarHBondContact CG-OD2 3.25Å; E676-D824 PolarHBondContact N-OD2 3.46Å; E676-D824 VanDerWaalsContact N-OD2 3.17Å; E676-D824 PolarHBondContact OE1-N 2.66Å; E676-D824 VanDerWaalsContact OE1-N 3.13Å
677	P	92.6	Very high	90.6	Very high	30 Å²	30	39.4 Å²	39.4	20%	0.195	21%	0.208	C	C	.	.	H	α-helix	trans	-63.4	-20.8	176.5	-23.7	36.1	0	0	0	114.8	P643 R674 L675 I679	P643-P677 WeakPolarHBondContact CG-O 3.4Å; R674-P677 HydrophobicContact CB-CG 4.11Å; L675-P677 VanDerWaalsContact C-N 3.32Å; P677-I679 VanDerWaalsContact C-N 3.33Å
678	L	89.6	Confident	90.8	Very high	24 Å²	24	38 Å²	38	13%	0.126	20%	0.199	C	C	.	.	H	α-helix	trans	-83	-10.7	172.9	-63.9	176.1	0	0	0	112.9	A633 L636 A637 P643 H651 I652 L675 E676	A633-L678 HydrophobicContact CB-CD1 3.83Å; A633-L678 VanDerWaalsContact O-CD1 3.25Å; A633-L678 WeakPolarHBondContact O-CD1 3.45Å; L636-L678 HydrophobicContact CB-CD1 4.18Å; A637-L678 HydrophobicContact CB-CD2 4.14Å; P643-L678 VanDerWaalsContact CA-O 3.31Å; P643-L678 WeakPolarHBondContact CA-O 3.3Å; H651-L678 PolarHBondContact NE2-O 3.47Å; I652-L678 HydrophobicContact CD1-CB 4.01Å; L675-L678 HydrophobicContact CD2-CD1 4.38Å; L675-L678 WeakPolarHBondContact O-CB 3.38Å; L675-L678 PolarHBondContact O-N 2.95Å; E676-L678 PolarHBondContact O-N 3.06Å
679	I	88.2	Confident	91	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-90.4	-62.4	171.3	-58.1	176.6	0	0	0	109.1	G644 H651 I652 E676 P677 L819 I823	G644-I679 PolarHBondContact N-O 3.03Å; H651-I679 VanDerWaalsContact CE1-CG2 3.45Å; H651-I679 WeakPolarHBondContact CE1-CG2 3.37Å; H651-I679 WeakPolarHBondContact NE2-CA 3.38Å; I652-I679 HydrophobicContact CD1-CD1 4.05Å; I652-I679 HydrophobicContact CD1-CG1 3.33Å; I652-I679 HydrophobicContact CG1-CG1 4.16Å; E676-I679 WeakPolarHBondContact O-CB 3.1Å; E676-I679 PolarHBondContact O-N 2.98Å; P677-I679 VanDerWaalsContact C-N 3.33Å; I679-L819 HydrophobicContact CB-CD2 4.03Å; I679-L819 HydrophobicContact CD1-CD2 4.22Å; I679-L819 HydrophobicContact CG2-CD2 3.38Å; I679-I823 HydrophobicContact CD1-CD1 3.27Å
680	L	89.1	Confident	91.1	Very high	9 Å²	9	39.8 Å²	39.8	5%	0.047	21%	0.206	C	C	.	.			trans	-125.3	118.4	-179.5	-75.1	171.3	0	0	0	109.5	E676 H682 Y683 L817 L819	E676-L680 PolarHBondContact O-N 2.94Å; L680-H682 PolarHBondContact O-N 2.91Å; L680-H682 VanDerWaalsContact O-N 3.08Å; L680-Y683 HydrophobicContact CB-CD2 3.62Å; L680-Y683 HydrophobicContact CB-CE2 4.15Å; L680-Y683 HydrophobicContact CD1-CD2 4.13Å; L680-Y683 HydrophobicContact CD1-CE2 3.78Å; L680-Y683 WeakPolarHBondContact O-CB 3.28Å; L680-Y683 PolarHBondContact O-N 3.31Å; L680-L817 VanDerWaalsContact CD1-O 3.29Å; L680-L817 WeakPolarHBondContact CD1-O 3.26Å; L680-L819 HydrophobicContact CD1-CD2 3.9Å; L680-L819 HydrophobicContact CD1-CG 4.07Å; L680-L819 HydrophobicContact CG-CD2 4.38Å
681	K	88.3	Confident	91.4	Very high	160 Å²	160	35.6 Å²	35.6	70%	0.696	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-54.7	-36.4	-173.4	-173.8	177	179	-179.3	0	113.7	P643 Y683 S684	P643-K681 HydrophobicContact CB-CB 3.97Å; P643-K681 HydrophobicContact CG-CB 4.18Å; K681-Y683 PolarHBondContact O-N 3.38Å; K681-S684 WeakPolarHBondContact O-CB 3.37Å; K681-S684 PolarHBondContact O-N 3.37Å; K681-S684 PolarHBondContact O-OG 3.06Å
682	H	87.9	Confident	91.5	Very high	55 Å²	55	34.3 Å²	34.3	26%	0.255	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-69	-16.2	-178.9	68.5	-92.4	0	0	0	113.7	L680 S684 N685 L816 L817	L680-H682 PolarHBondContact O-N 2.91Å; L680-H682 VanDerWaalsContact O-N 3.08Å; H682-S684 PolarHBondContact O-N 3.41Å; H682-N685 PolarHBondContact O-N 3.46Å; H682-L816 HydrophobicContact CB-CD2 4.47Å; H682-L817 PolarHBondContact CE1-O 3.32Å; H682-L817 PolarHBondContact NE2-O 2.98Å
683	Y	90.1	Very high	91.2	Very high	6 Å²	6	37.6 Å²	37.6	2%	0.024	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-67.2	-11.8	172	-84.1	-107	0	0	0	113.2	R674 E676 L680 K681 N685 V686 L819	R674-Y683 PolarHBondContact NH1-O 3.04Å; R674-Y683 PolarHBondContact NH2-O 3.42Å; E676-Y683 HydrophobicContact CB-CD1 3.93Å; E676-Y683 HydrophobicContact CB-CG 4.19Å; E676-Y683 HydrophobicContact CG-CD1 4.37Å; E676-Y683 WeakPolarHBondContact OE2-CD1 3.42Å; L680-Y683 HydrophobicContact CB-CD2 3.62Å; L680-Y683 HydrophobicContact CB-CE2 4.15Å; L680-Y683 HydrophobicContact CD1-CD2 4.13Å; L680-Y683 HydrophobicContact CD1-CE2 3.78Å; L680-Y683 WeakPolarHBondContact O-CB 3.28Å; L680-Y683 PolarHBondContact O-N 3.31Å; K681-Y683 PolarHBondContact O-N 3.38Å; Y683-N685 PolarHBondContact O-N 3.5Å; Y683-V686 HydrophobicContact CD1-CB 3.96Å; Y683-V686 HydrophobicContact CD1-CG1 4.07Å; Y683-V686 HydrophobicContact CD1-CG2 4.26Å; Y683-V686 HydrophobicContact CE1-CB 4.48Å; Y683-V686 HydrophobicContact CE1-CG1 4.2Å; Y683-V686 HydrophobicContact CG-CB 4.3Å; Y683-V686 HydrophobicContact CG-CG2 4.29Å; Y683-V686 PolarHBondContact O-N 2.75Å; Y683-L819 HydrophobicContact CD1-CD1 3.67Å; Y683-L819 HydrophobicContact CD1-CG 4.35Å; Y683-L819 HydrophobicContact CD2-CD1 4.41Å; Y683-L819 HydrophobicContact CD2-CG 4.33Å; Y683-L819 HydrophobicContact CE1-CB 4.26Å; Y683-L819 HydrophobicContact CE1-CD1 3.38Å; Y683-L819 HydrophobicContact CE1-CG 3.8Å; Y683-L819 HydrophobicContact CE2-CB 4.45Å; Y683-L819 HydrophobicContact CE2-CD1 4.16Å; Y683-L819 HydrophobicContact CE2-CG 3.76Å; Y683-L819 HydrophobicContact CG-CD1 4.19Å; Y683-L819 VanDerWaalsContact CZ-CG 3.47Å; Y683-L819 WeakPolarHBondContact OH-CB 3.48Å; Y683-L819 PolarHBondContact OH-N 2.76Å
684	S	89.9	Confident	90.7	Very high	58 Å²	58	33.7 Å²	33.7	41%	0.406	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-55.3	-29.9	163.8	56.2	0	0	0	0	113.3	K681 H682 L710	K681-S684 WeakPolarHBondContact O-CB 3.37Å; K681-S684 PolarHBondContact O-N 3.37Å; K681-S684 PolarHBondContact O-OG 3.06Å; H682-S684 PolarHBondContact O-N 3.41Å; S684-L710 WeakPolarHBondContact O-CD1 3.22Å
685	N	89.8	Confident	90.2	Very high	79 Å²	79	35 Å²	35	42%	0.422	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-99.2	0.3	176.4	-74.6	-26.9	0	0	0	113.1	H682 Y683 F709 L710	H682-N685 PolarHBondContact O-N 3.46Å; Y683-N685 PolarHBondContact O-N 3.5Å; N685-F709 CarbonylContact O-C 3.58Å; N685-F709 WeakPolarHBondContact O-CA 3.46Å; N685-L710 PolarHBondContact O-N 3.47Å
686	V	90.8	Very high	89.6	Confident	3 Å²	3	36.3 Å²	36.3	2%	0.018	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-96.7	134.7	174.2	179.7	0	0	0	0	108.1	R674 Y683 P707 F709	R674-V686 VanDerWaalsContact CZ-O 3.23Å; R674-V686 PolarHBondContact NH1-O 3.17Å; R674-V686 PolarHBondContact NH2-O 3.45Å; Y683-V686 HydrophobicContact CD1-CB 3.96Å; Y683-V686 HydrophobicContact CD1-CG1 4.07Å; Y683-V686 HydrophobicContact CD1-CG2 4.26Å; Y683-V686 HydrophobicContact CE1-CB 4.48Å; Y683-V686 HydrophobicContact CE1-CG1 4.2Å; Y683-V686 HydrophobicContact CG-CB 4.3Å; Y683-V686 HydrophobicContact CG-CG2 4.29Å; Y683-V686 PolarHBondContact O-N 2.75Å; V686-P707 HydrophobicContact CG1-CB 3.88Å; V686-F709 HydrophobicContact CG2-CD1 4.1Å; V686-F709 HydrophobicContact CG2-CE1 3.9Å
687	A	90.8	Very high	88.3	Confident	9 Å²	9	42.7 Å²	42.7	7%	0.074	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-74	143.3	176.9	0	0	0	0	0	110.6	T708 L710 R822	A687-T708 VanDerWaalsContact CB-O 3.3Å; A687-T708 WeakPolarHBondContact CB-O 3.39Å; A687-T708 PolarHBondContact N-O 2.66Å; A687-L710 HydrophobicContact CB-CD2 3.59Å; A687-L710 HydrophobicContact CB-CG 4.2Å; A687-R822 PolarHBondContact O-NH2 3.28Å
688	P	92.9	Very high	87.1	Confident	10 Å²	10	48.9 Å²	48.9	7%	0.065	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-61.2	156.7	170.5	30.8	-37.6	0	0	0	111.1	F665 Q690 D824 E826	F665-P688 HydrophobicContact CE1-CB 4.35Å; F665-P688 HydrophobicContact CE2-CG 4.3Å; F665-P688 HydrophobicContact CZ-CB 3.7Å; F665-P688 HydrophobicContact CZ-CG 3.83Å; P688-Q690 PolarHBondContact O-N 2.82Å; P688-D824 HydrophobicContact CB-CB 3.92Å; P688-E826 HydrophobicContact CB-CB 3.92Å; P688-E826 HydrophobicContact CG-CB 3.62Å; P688-E826 HydrophobicContact CG-CG 4.24Å; P688-E826 WeakPolarHBondContact CG-OE2 3.4Å
689	V	93.7	Very high	86.5	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.018	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	126.4	-179.9	179.4	0	0	0	0	109.3	I691 Y702 V705 R822 D824 F825 E826	V689-I691 PolarHBondContact O-N 2.94Å; V689-Y702 HydrophobicContact CG1-CD1 3.79Å; V689-Y702 HydrophobicContact CG1-CE1 4.33Å; V689-V705 HydrophobicContact CG1-CB 4.32Å; V689-V705 HydrophobicContact CG1-CG1 4.19Å; V689-V705 HydrophobicContact CG1-CG2 4.43Å; V689-R822 HydrophobicContact CG2-CB 3.72Å; V689-R822 HydrophobicContact CG2-CG 3.75Å; V689-D824 PolarHBondContact N-O 2.99Å; V689-F825 HydrophobicContact CB-CD1 3.65Å; V689-F825 HydrophobicContact CB-CE1 3.84Å; V689-F825 HydrophobicContact CB-CG 4.5Å; V689-F825 HydrophobicContact CG1-CD1 3.8Å; V689-F825 HydrophobicContact CG1-CE1 3.8Å; V689-F825 HydrophobicContact CG2-CE1 4.36Å; V689-F825 CarbonylContact O-C 3.54Å; V689-F825 VanDerWaalsContact O-CA 3.25Å; V689-F825 WeakPolarHBondContact O-CA 3.34Å; V689-E826 PolarHBondContact O-N 3.35Å
690	Q	93.3	Very high	86	Confident	68 Å²	68	53.5 Å²	53.5	32%	0.318	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	127	178.4	-65.1	-63.1	-60.2	0	0	110.6	P688 E826	P688-Q690 PolarHBondContact O-N 2.82Å; Q690-E826 PolarHBondContact NE2-OE2 2.86Å
691	I	92.3	Very high	85.7	Confident	1 Å²	1	54 Å²	54	1%	0.005	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-65	139.8	170.1	-64.6	179	0	0	0	108.8	V664 V689 F825 E826 L827 R828 D851 F855	V664-I691 HydrophobicContact CG1-CD1 3.64Å; V664-I691 HydrophobicContact CG2-CD1 4.44Å; V689-I691 PolarHBondContact O-N 2.94Å; I691-F825 HydrophobicContact CD1-CB 4.07Å; I691-F825 HydrophobicContact CG1-CB 3.95Å; I691-E826 PolarHBondContact N-O 3.35Å; I691-L827 HydrophobicContact CB-CD2 4.28Å; I691-L827 HydrophobicContact CD1-CD2 3.78Å; I691-L827 HydrophobicContact CD1-CG 4.19Å; I691-L827 HydrophobicContact CG2-CD2 4.29Å; I691-R828 PolarHBondContact O-NE 3.29Å; I691-D851 HydrophobicContact CG2-CB 4.17Å; I691-F855 HydrophobicContact CD1-CD2 4.01Å; I691-F855 HydrophobicContact CD1-CE2 4.31Å; I691-F855 HydrophobicContact CD1-CG 4.17Å; I691-F855 HydrophobicContact CG1-CD2 3.85Å; I691-F855 HydrophobicContact CG1-CE2 4.13Å; I691-F855 HydrophobicContact CG1-CG 4.45Å; I691-F855 HydrophobicContact CG2-CB 4.08Å; I691-F855 HydrophobicContact CG2-CD2 4.27Å; I691-F855 HydrophobicContact CG2-CG 4.5Å
692	H	90.3	Very high	85.6	Confident	22 Å²	22	46.9 Å²	46.9	10%	0.102	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-74	146.8	177.9	-64.6	-59.1	0	0	0	111.3	P699 S700 Y702	H692-P699 HydrophobicContact CB-CB 3.94Å; H692-P699 WeakPolarHBondContact CD2-CB 3.33Å; H692-P699 VanDerWaalsContact CG-CB 3.48Å; H692-S700 PolarHBondContact NE2-O 2.68Å; H692-Y702 AromaticContact CD2-CE1 3.46Å; H692-Y702 VanDerWaalsContact CD2-CE1 3.46Å; H692-Y702 WeakPolarHBondContact CD2-CE1 3.01Å; H692-Y702 AromaticContact CD2-CE2 3.88Å; H692-Y702 AromaticContact CD2-CZ 3.28Å; H692-Y702 PolarHBondContact CD2-OH 3.44Å; H692-Y702 VanDerWaalsContact CD2-OH 3.32Å; H692-Y702 PolarHBondContact N-OH 2.98Å; H692-Y702 AromaticContact NE2-CE1 3.75Å; H692-Y702 AromaticContact NE2-CZ 4Å
693	W	86.9	Confident	85.2	Confident	87 Å²	87	49.5 Å²	49.5	33%	0.33	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-63.6	139.9	170.5	-65.7	115.3	0	0	0	110.3	S695 A696 R828	W693-S695 PolarHBondContact O-N 3.32Å; W693-A696 HydrophobicContact CB-CB 4.5Å; W693-A696 WeakPolarHBondContact O-CB 2.95Å; W693-A696 PolarHBondContact O-N 2.88Å; W693-R828 HydrophobicContact CH2-CB 3.78Å; W693-R828 HydrophobicContact CZ2-CB 3.59Å; W693-R828 HydrophobicContact CZ2-CG 4.36Å; W693-R828 HydrophobicContact CZ3-CB 4.48Å
694	C	85.8	Confident	84.6	Confident	30 Å²	30	56 Å²	56	20%	0.203	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-13.6	172.1	61.2	0	0	0	0	113.9	M444 K447 H448 H850 D851	M444-C694 HydrophobicContact SD-CB 3.61Å; K447-C694 PolarHBondContact NZ-O 3.1Å; H448-C694 PolarHBondContact CE1-O 3.37Å; H448-C694 VanDerWaalsContact CE1-O 3.23Å; H448-C694 PolarHBondContact NE2-O 3.37Å; C694-H850 HydrophobicContact CB-CB 3.82Å; C694-D851 VanDerWaalsContact CB-OD1 3.26Å; C694-D851 WeakPolarHBondContact CB-OD1 3.49Å; C694-D851 PolarHBondContact N-OD1 3.11Å; C694-D851 PolarHBondContact SG-OD1 2.86Å
695	S	85.3	Confident	84.1	Confident	80 Å²	80	55.3 Å²	55.3	56%	0.559	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-8.8	174.2	59.5	0	0	0	0	113.9	W693 T697	W693-S695 PolarHBondContact O-N 3.32Å; S695-T697 PolarHBondContact O-N 3.01Å
696	A	80.1	Confident	83.4	Confident	29 Å²	29	61.7 Å²	61.7	24%	0.24	33%	0.33	C	S	.	.			trans	-66.2	123.3	-177.2	0	0	0	0	0	111.1	W693 P699	W693-A696 HydrophobicContact CB-CB 4.5Å; W693-A696 WeakPolarHBondContact O-CB 2.95Å; W693-A696 PolarHBondContact O-N 2.88Å; A696-P699 HydrophobicContact CB-CB 4.45Å
697	T	66.9	Low	82.9	Confident	134 Å²	134	63.7 Å²	63.7	82%	0.822	34%	0.343	S	S	*	.	S	Bend	trans	-84.3	116.4	171.8	48.7	0	0	0	0	109	S695	S695-T697 PolarHBondContact O-N 3.01Å
698	N	67.7	Low	82.5	Confident	160 Å²	160	67.8 Å²	67.8	86%	0.856	37%	0.367	S	S	*	.	S	Bend	trans	57.4	63.8	-177.8	-62.9	-10	0	0	0	114.7
699	P	77.3	Confident	82	Confident	56 Å²	56	73 Å²	73	36%	0.364	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-61	143.8	173.3	25.4	-31.9	0	0	0	111.8	H692 A696	H692-P699 HydrophobicContact CB-CB 3.94Å; H692-P699 WeakPolarHBondContact CD2-CB 3.33Å; H692-P699 VanDerWaalsContact CG-CB 3.48Å; A696-P699 HydrophobicContact CB-CB 4.45Å
700	S	76.9	Confident	81.2	Confident	64 Å²	64	74.4 Å²	74.4	45%	0.448	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-60.4	146.5	173.2	58.9	0	0	0	0	110.9	H692 Y702	H692-S700 PolarHBondContact NE2-O 2.68Å; S700-Y702 PolarHBondContact O-N 2.87Å
701	S	83.3	Confident	80.3	Confident	20 Å²	20	75.6 Å²	75.6	14%	0.14	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-59.4	138.6	176.2	-163.3	0	0	0	0	110.4	D703 E704 K863	S701-D703 PolarHBondContact O-N 2.94Å; S701-E704 PolarHBondContact O-N 3.25Å; S701-K863 PolarHBondContact OG-NZ 2.6Å
702	Y	86.3	Confident	78.9	Confident	10 Å²	10	80.5 Å²	80.5	4%	0.039	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-61.4	-28.1	179.4	-74.1	-68.1	0	0	0	112.7	V689 H692 S700 E704 V705 F825 F855 T858 F859	V689-Y702 HydrophobicContact CG1-CD1 3.79Å; V689-Y702 HydrophobicContact CG1-CE1 4.33Å; H692-Y702 AromaticContact CD2-CE1 3.46Å; H692-Y702 VanDerWaalsContact CD2-CE1 3.46Å; H692-Y702 WeakPolarHBondContact CD2-CE1 3.01Å; H692-Y702 AromaticContact CD2-CE2 3.88Å; H692-Y702 AromaticContact CD2-CZ 3.28Å; H692-Y702 PolarHBondContact CD2-OH 3.44Å; H692-Y702 VanDerWaalsContact CD2-OH 3.32Å; H692-Y702 PolarHBondContact N-OH 2.98Å; H692-Y702 AromaticContact NE2-CE1 3.75Å; H692-Y702 AromaticContact NE2-CZ 4Å; S700-Y702 PolarHBondContact O-N 2.87Å; Y702-E704 VanDerWaalsContact C-N 3.26Å; Y702-E704 PolarHBondContact O-N 2.95Å; Y702-V705 PolarHBondContact O-N 2.87Å; Y702-F825 HydrophobicContact CD1-CD1 4.33Å; Y702-F825 AromaticContact CD1-CE1 3.97Å; Y702-F825 HydrophobicContact CD1-CE1 3.97Å; Y702-F825 HydrophobicContact CG-CE1 4.2Å; Y702-F855 HydrophobicContact CE1-CD2 4.44Å; Y702-F855 AromaticContact CE2-CD2 3.88Å; Y702-F855 HydrophobicContact CE2-CD2 3.88Å; Y702-F855 HydrophobicContact CE2-CE2 4.33Å; Y702-F855 AromaticContact CZ-CD2 3.76Å; Y702-T858 HydrophobicContact CD2-CG2 4.02Å; Y702-T858 HydrophobicContact CE2-CG2 4.08Å; Y702-F859 HydrophobicContact CD2-CE1 4.31Å; Y702-F859 AromaticContact CD2-CE2 3.8Å; Y702-F859 HydrophobicContact CD2-CE2 3.8Å; Y702-F859 AromaticContact CD2-CZ 3.44Å; Y702-F859 HydrophobicContact CD2-CZ 3.44Å; Y702-F859 VanDerWaalsContact CD2-CZ 3.44Å; Y702-F859 HydrophobicContact CE2-CE2 4.2Å; Y702-F859 HydrophobicContact CE2-CZ 4.29Å; Y702-F859 HydrophobicContact CG-CE2 4.44Å; Y702-F859 AromaticContact CG-CZ 3.85Å; Y702-F859 HydrophobicContact CG-CZ 3.85Å
703	D	79.2	Confident	77.1	Confident	110 Å²	110	85.7 Å²	85.7	59%	0.588	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-72.6	-19.1	177.3	-53.4	-45.4	0	0	0	113	S701	S701-D703 PolarHBondContact O-N 2.94Å
704	E	77.4	Confident	75	Confident	143 Å²	143	90.9 Å²	90.9	67%	0.668	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-92.8	-6.5	179.2	-64.4	171.3	-178.8	0	0	112.5	S701 Y702 R706	S701-E704 PolarHBondContact O-N 3.25Å; Y702-E704 VanDerWaalsContact C-N 3.26Å; Y702-E704 PolarHBondContact O-N 2.95Å; E704-R706 PolarHBondContact O-N 3.29Å; E704-R706 VanDerWaalsContact O-N 3.16Å
705	V	79.7	Confident	72.6	Confident	44 Å²	44	96 Å²	96	27%	0.267	52%	0.52	S	S	.	.			trans	-72.8	110.6	-177.3	-179	0	0	0	0	109.9	V689 Y702	V689-V705 HydrophobicContact CG1-CB 4.32Å; V689-V705 HydrophobicContact CG1-CG1 4.19Å; V689-V705 HydrophobicContact CG1-CG2 4.43Å; Y702-V705 PolarHBondContact O-N 2.87Å
706	R	74.2	Confident	70.5	Confident	213 Å²	213	98.4 Å²	98.4	80%	0.804	53%	0.533	S	S	*	.			trans	-65.5	140.6	179.7	-68.3	-174.1	-179.5	173.3	0.6	112	E704 T708	E704-R706 PolarHBondContact O-N 3.29Å; E704-R706 VanDerWaalsContact O-N 3.16Å; R706-T708 PolarHBondContact O-N 3.08Å
707	P	79.8	Confident	68.6	Low	45 Å²	45	101.3 Å²	101.3	29%	0.292	56%	0.558	S	S	.	*			trans	-55.5	128	173.1	-24.6	34	0	0	0	111.7	V686	V686-P707 HydrophobicContact CG1-CB 3.88Å
708	T	82.8	Confident	66.9	Low	94 Å²	94	99.8 Å²	99.8	58%	0.577	55%	0.552	S	S	*	*			trans	-104.4	131.3	173.1	-59	0	0	0	0	108.8	A687 R706	A687-T708 VanDerWaalsContact CB-O 3.3Å; A687-T708 WeakPolarHBondContact CB-O 3.39Å; A687-T708 PolarHBondContact N-O 2.66Å; R706-T708 PolarHBondContact O-N 3.08Å
709	F	82.1	Confident	65.4	Low	121 Å²	121	100.4 Å²	100.4	53%	0.531	56%	0.555	S	S	.	*	B	Isolated β-bridge	trans	-83.9	137.2	179	-64.2	-78.5	0	0	0	111.7	N685 V686	N685-F709 CarbonylContact O-C 3.58Å; N685-F709 WeakPolarHBondContact O-CA 3.46Å; V686-F709 HydrophobicContact CG2-CD1 4.1Å; V686-F709 HydrophobicContact CG2-CE1 3.9Å
710	L	77.8	Confident	63.4	Low	32 Å²	32	103.2 Å²	103.2	17%	0.168	57%	0.572	C	S	.	*	S	Bend	trans	-69.3	-38.5	177.9	-65.5	177	0	0	0	111.9	S684 N685 A687 R734	S684-L710 WeakPolarHBondContact O-CD1 3.22Å; N685-L710 PolarHBondContact O-N 3.47Å; A687-L710 HydrophobicContact CB-CD2 3.59Å; A687-L710 HydrophobicContact CB-CG 4.2Å; L710-R734 VanDerWaalsContact CD2-NH2 3.33Å
711	N	74.8	Confident	61.7	Low	92 Å²	92	109.9 Å²	109.9	49%	0.492	60%	0.596	S	S	.	*	S	Bend	trans	-125.6	92.6	178	-63.9	-43.9	0	0	0	107.8	V713	N711-V713 PolarHBondContact O-N 2.88Å
712	P	62.2	Low	59.3	Low	105 Å²	105	114.2 Å²	114.2	68%	0.682	63%	0.626	S	S	*	*			trans	-63.4	131.4	175.3	24.6	-30.8	0	0	0	109.2	K714	P712-K714 PolarHBondContact O-N 3.11Å
713	V	53.2	Low	56.8	Low	130 Å²	130	121.2 Å²	121.2	79%	0.788	66%	0.663	S	S	*	*			trans	-61	123.1	173.2	179.3	0	0	0	0	107.4	N711 D715	N711-V713 PolarHBondContact O-N 2.88Å; V713-D715 PolarHBondContact O-N 3.38Å
714	K	42.2	Very low	54.5	Low	197 Å²	197	121.8 Å²	121.8	86%	0.857	67%	0.672	S	S	*	*			trans	-75.3	103.1	177.6	-149.4	179.3	-171.1	-176.5	0	107.4	P712 P716	P712-K714 PolarHBondContact O-N 3.11Å; K714-P716 WeakPolarHBondContact O-CD 3.39Å
715	D	35.5	Very low	52.1	Low	138 Å²	138	120.4 Å²	120.4	74%	0.738	68%	0.679	S	S	*	*			trans	-61	125.5	174.5	-77.8	-34.8	0	0	0	109.9	V713 A717	V713-D715 PolarHBondContact O-N 3.38Å; D715-A717 PolarHBondContact O-N 3.46Å
716	P	41.4	Very low	50.1	Low	129 Å²	129	124 Å²	124	84%	0.838	70%	0.703	S	S	*	*	S	Bend	trans	-84.6	70.4	173.5	34.5	-31.6	0	0	0	109.3	K714	K714-P716 WeakPolarHBondContact O-CD 3.39Å
717	A	39	Very low	47.9	Very low	91 Å²	91	119.2 Å²	119.2	75%	0.752	70%	0.702	S	S	*	*			trans	169.5	98.8	152.9	0	0	0	0	0	111.1	D715	D715-A717 PolarHBondContact O-N 3.46Å
718	S	31.9	Very low	45.6	Very low	102 Å²	102	123.7 Å²	123.7	71%	0.713	73%	0.729	S	S	*	*			trans	-170.1	83.5	136.2	-166.4	0	0	0	0	109	T720	S718-T720 PolarHBondContact O-N 3.2Å; S718-T720 PolarHBondContact OG-OG1 3.07Å
719	D	35.6	Very low	43.1	Very low	172 Å²	172	124.7 Å²	124.7	92%	0.92	74%	0.739	S	S	*	*			trans	-77.3	96.2	154.8	-77.4	-33.9	0	0	0	106.8
720	T	35.2	Very low	40.6	Very low	115 Å²	115	124.3 Å²	124.3	71%	0.706	75%	0.749	S	S	*	*			trans	-140.8	111	154.3	-11.8	0	0	0	0	108.5	S718 S722	S718-T720 PolarHBondContact O-N 3.2Å; S718-T720 PolarHBondContact OG-OG1 3.07Å; T720-S722 PolarHBondContact O-N 3.31Å
721	E	41.9	Very low	38.4	Very low	204 Å²	204	129.7 Å²	129.7	95%	0.953	78%	0.783	S	S	*	*			trans	-55.6	124.4	172.7	-67.9	-166.7	147.2	0	0	110.6
722	S	33.1	Very low	36.2	Very low	112 Å²	112	132.6 Å²	132.6	78%	0.783	80%	0.798	S	S	*	*			trans	-135.3	118.4	159.2	64.7	0	0	0	0	109.7	T720	T720-S722 PolarHBondContact O-N 3.31Å
723	I	34.5	Very low	34.5	Very low	156 Å²	156	131.9 Å²	131.9	80%	0.8	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-53.2	136.8	-179.1	-59.4	164.7	0	0	0	111.3
724	P	30.5	Very low	33.7	Very low	122 Å²	122	133 Å²	133	79%	0.792	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-81.2	132.4	176.8	31.5	-30.1	0	0	0	111.3
725	S	26.8	Very low	33.1	Very low	115 Å²	115	133.3 Å²	133.3	80%	0.804	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-89.1	146.5	165.4	-63.3	0	0	0	0	110.3
726	P	37.4	Very low	33	Very low	120 Å²	120	132.8 Å²	132.8	78%	0.779	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-96.8	124.1	-170.9	34.9	-27.4	0	0	0	111.6
727	S	29	Very low	32.8	Very low	111 Å²	111	137 Å²	137	78%	0.776	79%	0.786	S	S	*	*			trans	159.2	103.5	141.6	58.9	0	0	0	0	111.3
728	T	30.9	Very low	32.6	Very low	140 Å²	140	135.5 Å²	135.5	86%	0.859	78%	0.78	S	S	*	*	S	Bend	trans	156.9	126.8	140	48.6	0	0	0	0	106.4
729	S	30.6	Very low	32.5	Very low	114 Å²	114	138 Å²	138	80%	0.797	78%	0.78	S	S	*	*			trans	-18.6	132.9	-172.9	-50.5	0	0	0	0	118.1	V731	S729-V731 PolarHBondContact O-N 3.43Å
730	P	28.6	Very low	32.5	Very low	114 Å²	114	134 Å²	134	74%	0.74	77%	0.766	S	S	*	*			trans	-74	125.9	-177.6	29.4	-31	0	0	0	111.3	L732	P730-L732 PolarHBondContact O-N 3.37Å; P730-L732 VanDerWaalsContact O-N 3.1Å
731	V	31.2	Very low	32.6	Very low	145 Å²	145	135.8 Å²	135.8	88%	0.879	77%	0.769	S	S	*	*			trans	-64.9	102.8	153.8	176.7	0	0	0	0	106.2	S729 A733	S729-V731 PolarHBondContact O-N 3.43Å; V731-A733 PolarHBondContact O-N 2.96Å
732	L	30.1	Very low	32.5	Very low	153 Å²	153	132.1 Å²	132.1	80%	0.801	76%	0.761	S	S	*	*			trans	-64.2	123.6	176.6	-80.5	165.8	0	0	0	109.2	P730 R734	P730-L732 PolarHBondContact O-N 3.37Å; P730-L732 VanDerWaalsContact O-N 3.1Å; L732-R734 PolarHBondContact O-N 3.39Å
733	A	26.3	Very low	32.5	Very low	90 Å²	90	130.2 Å²	130.2	74%	0.744	75%	0.748	S	S	*	*			trans	-58.1	132.9	174.6	0	0	0	0	0	111	V731 K735	V731-A733 PolarHBondContact O-N 2.96Å; A733-K735 PolarHBondContact O-N 2.95Å; A733-K735 VanDerWaalsContact O-N 3.08Å
734	R	36.4	Very low	32.7	Very low	152 Å²	152	128.9 Å²	128.9	57%	0.574	74%	0.742	S	S	*	*			trans	-52	106.7	174.9	-174.7	-177.8	-172.3	126	5.7	110.9	L710 L732	L710-R734 VanDerWaalsContact CD2-NH2 3.33Å; L732-R734 PolarHBondContact O-N 3.39Å
735	K	28.4	Very low	32.9	Very low	205 Å²	205	126.7 Å²	126.7	89%	0.891	74%	0.741	S	S	*	*			trans	-75.6	134	165.5	-80.2	-174.3	176.9	178.9	0	109.9	A733	A733-K735 PolarHBondContact O-N 2.95Å; A733-K735 VanDerWaalsContact O-N 3.08Å
736	H	33.3	Very low	33.2	Very low	126 Å²	126	131 Å²	131	58%	0.583	75%	0.746	S	S	*	*			trans	-65.8	143.6	-171	-70	-17.8	0	0	0	114.6	G738	H736-G738 VanDerWaalsContact C-N 3.31Å; H736-G738 PolarHBondContact O-N 2.67Å
737	Y	37.4	Very low	33	Very low	217 Å²	217	129.4 Å²	129.4	85%	0.851	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	1.5	-172.1	-166.4	-105.4	0	0	0	114.7
738	G	35.7	Very low	33.1	Very low	61 Å²	61	129.6 Å²	129.6	63%	0.629	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.4	-16.8	-169.3	0	0	0	0	0	117.5	H736	H736-G738 VanDerWaalsContact C-N 3.31Å; H736-G738 PolarHBondContact O-N 2.67Å
739	E	30.1	Very low	33.5	Very low	154 Å²	154	130.8 Å²	130.8	72%	0.72	74%	0.743	S	S	*	*	S	Bend	trans	-102.6	-13.7	-168	-70.8	-173.2	151.8	0	0	115
740	S	35.6	Very low	33.5	Very low	88 Å²	88	134.1 Å²	134.1	62%	0.615	75%	0.751	S	S	*	*	H	α-helix	trans	-85.9	-14.3	-174.3	-88.5	0	0	0	0	115.9
741	I	36.1	Very low	33.4	Very low	153 Å²	153	132.6 Å²	132.6	79%	0.785	76%	0.756	S	S	*	*	H	α-helix	trans	-84.1	-26.7	-178.6	-57	178.9	0	0	0	111.3
742	T	40.9	Very low	33.3	Very low	126 Å²	126	130.5 Å²	130.5	77%	0.773	75%	0.754	S	S	*	*	H	α-helix	trans	-88.5	-15.7	178.8	54.6	0	0	0	0	113.5
743	S	31.9	Very low	33	Very low	73 Å²	73	127.9 Å²	127.9	51%	0.51	75%	0.754	S	S	.	*	H	α-helix	trans	-95.6	-10.2	-179.4	73.6	0	0	0	0	114.7	G745	S743-G745 PolarHBondContact O-N 2.7Å
744	L	40.1	Very low	33	Very low	128 Å²	128	128.3 Å²	128.3	67%	0.67	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-75.2	-10.7	-178.8	-147	87.1	0	0	0	113.7	K746	L744-K746 PolarHBondContact O-N 3.2Å
745	G	33.2	Very low	32.9	Very low	76 Å²	76	129.3 Å²	129.3	78%	0.784	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-74.2	-1.2	179.5	0	0	0	0	0	115.7	S743	S743-G745 PolarHBondContact O-N 2.7Å
746	K	33.9	Very low	32.8	Very low	206 Å²	206	122.7 Å²	122.7	90%	0.896	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-129.6	-1.3	-172.5	-66.9	-174.2	-179.6	178.6	0	116.3	L744	L744-K746 PolarHBondContact O-N 3.2Å
747	A	34.3	Very low	32.8	Very low	86 Å²	86	127.1 Å²	127.1	71%	0.711	77%	0.774	S	S	*	*	S	Bend	trans	-120.9	10.4	-168.7	0	0	0	0	0	117.4
748	S	30.9	Very low	32.2	Very low	114 Å²	114	120.2 Å²	120.2	80%	0.797	77%	0.769	S	S	*	*			trans	-139.6	68.1	173.6	-74.8	0	0	0	0	112.8
749	I	37.5	Very low	31.8	Very low	165 Å²	165	126.3 Å²	126.3	85%	0.846	79%	0.786	S	S	*	*	S	Bend	trans	-133.8	64.2	155	-51.9	178.4	0	0	0	107.4
750	L	31.1	Very low	31.7	Very low	184 Å²	184	122.9 Å²	122.9	96%	0.963	79%	0.792	S	S	*	*	S	Bend	trans	-168.7	86.3	162.9	-108.1	134.8	0	0	0	108.3
751	G	27.2	Very low	31.5	Very low	82 Å²	82	122.6 Å²	122.6	85%	0.845	80%	0.803	S	S	*	*	S	Bend	trans	143.3	48.1	169.4	0	0	0	0	0	116.6
752	A	28	Very low	31.3	Very low	102 Å²	102	123 Å²	123	84%	0.843	81%	0.805	S	S	*	*			trans	176.8	73.9	143.5	0	0	0	0	0	108.7
753	A	25.1	Very low	30.9	Very low	98 Å²	98	124.3 Å²	124.3	81%	0.81	81%	0.807	S	S	*	*			trans	-71.2	126	158.2	0	0	0	0	0	108.5
754	S	25.9	Very low	30.7	Very low	98 Å²	98	130.7 Å²	130.7	69%	0.685	83%	0.826	S	S	*	*			trans	115.2	128.4	139.7	87.7	0	0	0	0	117.6
755	I	35	Very low	30.2	Very low	173 Å²	173	130 Å²	130	89%	0.887	83%	0.832	S	S	*	*			trans	83.6	103.8	158.3	-51.3	163.1	0	0	0	114.4
756	G	26.6	Very low	29.9	Very low	66 Å²	66	138.3 Å²	138.3	68%	0.68	84%	0.839	S	S	*	*			cis	169.4	125.6	-0.2	0	0	0	0	0	110.7
757	K	32.3	Very low	29.4	Very low	219 Å²	219	137.7 Å²	137.7	95%	0.952	84%	0.837	S	S	*	*			trans	53.4	112	147.2	-51.1	-179.6	-178.4	178.1	0	116.9
758	G	24.1	Very low	29	Very low	73 Å²	73	138.6 Å²	138.6	75%	0.753	84%	0.838	S	S	*	*			cis	126	124.2	47.2	0	0	0	0	0	106.3
759	L	28.9	Very low	28.8	Very low	188 Å²	188	144 Å²	144	98%	0.984	84%	0.841	S	S	*	*				174.8	135	89.8	-88.1	153.5	0	0	0	107.6
760	G	27.2	Very low	28.2	Very low	82 Å²	82	141.4 Å²	141.4	85%	0.845	84%	0.837	S	S	*	*			trans	148.4	4.7	161.1	0	0	0	0	0	120.4
761	G	31.2	Very low	27.9	Very low	82 Å²	82	140 Å²	140	85%	0.845	83%	0.831	S	S	*	*			trans	-95.2	85.5	173.5	0	0	0	0	0	112.4
762	I	32.7	Very low	27.9	Very low	161 Å²	161	141.4 Å²	141.4	83%	0.826	83%	0.828	S	S	*	*			trans	-150.4	107.3	167.1	-45.5	173.7	0	0	0	109.5
763	L	31.2	Very low	27.8	Very low	155 Å²	155	145.3 Å²	145.3	81%	0.812	83%	0.829	S	S	*	*	S	Bend	trans	-177.1	91.8	145.9	-98.9	161.3	0	0	0	107.3
764	F	29.2	Very low	28.3	Very low	207 Å²	207	145.5 Å²	145.5	91%	0.908	82%	0.821	S	S	*	*	S	Bend	trans	158.7	63.5	152.7	-88.5	-65.4	0	0	0	109.9
765	S	28.9	Very low	28.2	Very low	114 Å²	114	146.1 Å²	146.1	80%	0.797	83%	0.826	S	S	*	*			trans	-166.9	90.8	163.2	-77.3	0	0	0	0	109.6
766	R	26.7	Very low	27.7	Very low	249 Å²	249	144.1 Å²	144.1	94%	0.94	82%	0.822	S	S	*	*			trans	169.1	92.8	144.5	-93.6	164.5	-174.2	174.9	4.1	111.8
767	F	23.2	Very low	27.5	Very low	193 Å²	193	145.5 Å²	145.5	85%	0.846	82%	0.821	S	S	*	*			trans	-153.2	99.5	131.2	-148	-95	0	0	0	110.3
768	S	26.1	Very low	27.1	Very low	106 Å²	106	143.3 Å²	143.3	74%	0.741	82%	0.818	S	S	*	*			trans	-167.5	97.8	144.8	-84.4	0	0	0	0	108.8
769	R	27.9	Very low	27.1	Very low	228 Å²	228	142.9 Å²	142.9	86%	0.86	81%	0.814	S	S	*	*			trans	47.7	140.9	134.4	-61.7	177.1	167.5	178.6	-4.1	118.4
770	S	24.8	Very low	27.1	Very low	109 Å²	109	140.3 Å²	140.3	76%	0.762	81%	0.806	S	S	*	*			cis	-175.7	146.1	0	45.3	0	0	0	0	108
771	N	24.2	Very low	26.9	Very low	156 Å²	156	145.4 Å²	145.4	83%	0.834	81%	0.808	S	S	*	*			trans	28.2	116.3	146.1	-142.3	26	0	0	0	121.2
772	S	27	Very low	26.6	Very low	110 Å²	110	145.3 Å²	145.3	77%	0.769	81%	0.807	S	S	*	*				150.5	115	112.6	67.8	0	0	0	0	112.6
773	Q	26.6	Very low	26.2	Very low	185 Å²	185	141.3 Å²	141.3	86%	0.864	81%	0.805	S	S	*	*			trans	-80.1	-174.1	167.4	-94.7	-159.3	-9.7	0	0	111.6
774	P	34.3	Very low	25.9	Very low	101 Å²	101	138.5 Å²	138.5	66%	0.656	80%	0.804	S	S	*	*			cis	-138.5	169.6	-33.2	32.4	-13.7	0	0	0	113.6
775	S	24.3	Very low	25.6	Very low	111 Å²	111	136.4 Å²	136.4	78%	0.776	80%	0.803	S	S	*	*			trans	-176.1	114.9	132.7	38.1	0	0	0	0	114.7
776	V	24	Very low	25.5	Very low	132 Å²	132	135.9 Å²	135.9	80%	0.8	81%	0.805	S	S	*	*				43.7	97.9	124.1	-166.2	0	0	0	0	119.7
777	S	23.1	Very low	25.5	Very low	95 Å²	95	133 Å²	133	66%	0.664	80%	0.802	S	S	*	*			trans	31.3	128.6	132.1	59.1	0	0	0	0	121.9
778	L	24.7	Very low	25.6	Very low	172 Å²	172	133.3 Å²	133.3	90%	0.901	81%	0.806	S	S	*	*				148.9	124.5	95.4	-152.6	86.6	0	0	0	111.1
779	G	23.8	Very low	25.5	Very low	64 Å²	64	137.2 Å²	137.2	66%	0.66	81%	0.813	S	S	*	*			trans	103.2	112.6	140.1	0	0	0	0	0	121
780	V	27.2	Very low	25.3	Very low	134 Å²	134	135.1 Å²	135.1	81%	0.812	81%	0.813	S	S	*	*				79.4	116.8	129.7	-172.3	0	0	0	0	121
781	E	23.6	Very low	25.3	Very low	189 Å²	189	136.9 Å²	136.9	88%	0.883	81%	0.809	S	S	*	*			trans	30.7	129.8	144.8	-62.9	-175.3	147.2	0	0	123.1
782	G	24.8	Very low	25.2	Very low	80 Å²	80	136.4 Å²	136.4	83%	0.825	80%	0.8	S	S	*	*				119.5	116.5	118.4	0	0	0	0	0	118.4
783	G	24.3	Very low	25.1	Very low	78 Å²	78	141 Å²	141	80%	0.804	80%	0.8	S	S	*	*			trans	105.3	110.6	133.6	0	0	0	0	0	120.4
784	A	25.5	Very low	24.8	Very low	95 Å²	95	137.4 Å²	137.4	79%	0.785	79%	0.791	S	S	*	*			trans	68.5	124.6	132.8	0	0	0	0	0	122.9
785	N	23.1	Very low	24.3	Very low	164 Å²	164	142.1 Å²	142.1	88%	0.877	81%	0.805	S	S	*	*			trans	29.6	126.8	137.6	-61.4	-9	0	0	0	120.3
786	A	27.1	Very low	24.3	Very low	103 Å²	103	141.8 Å²	141.8	85%	0.851	80%	0.802	S	S	*	*				178.3	147.5	109.6	0	0	0	0	0	111.2
787	E	25.2	Very low	24.4	Very low	187 Å²	187	145.1 Å²	145.1	87%	0.874	81%	0.809	S	S	*	*			trans	-62.4	151.8	170.6	-60	161.6	163.3	0	0	111.3
788	E	26.4	Very low	24.5	Very low	200 Å²	200	144 Å²	144	94%	0.935	80%	0.801	S	S	*	*			trans	-171.2	137.3	134.2	-107	170.9	-167.4	0	0	112.2
789	E	24.3	Very low	24.4	Very low	188 Å²	188	141.6 Å²	141.6	88%	0.879	80%	0.799	S	S	*	*			trans	-75.3	151.5	169.7	-65.1	175.7	124.8	0	0	112
790	E	23.9	Very low	24.6	Very low	184 Å²	184	148.3 Å²	148.3	86%	0.86	81%	0.806	S	S	*	*			trans	167.5	113.3	131.9	-100.2	-168.6	148	0	0	107.6
791	E	23.7	Very low	24.5	Very low	146 Å²	146	146 Å²	146	68%	0.682	81%	0.809	S	S	*	*				70.9	126.8	71.3	-129.8	-152.4	-175.7	0	0	116.1
792	K	23	Very low	24.7	Very low	146 Å²	146	144.4 Å²	144.4	64%	0.635	81%	0.805	S	S	*	*			trans	71.4	143.4	161.1	-77.7	-173.7	-177	93.2	0	117.6
793	R	23.7	Very low	24.6	Very low	206 Å²	206	146.4 Å²	146.4	78%	0.777	81%	0.807	S	S	*	*			cis	-166.2	137.1	23.7	-130.9	176.8	-176.9	-169.3	1.7	110.3
794	T	21.3	Very low	24.7	Very low	111 Å²	111	147.9 Å²	147.9	68%	0.681	80%	0.8	S	S	*	*			trans	37.7	123.8	132.3	61	0	0	0	0	120.2
795	E	23.1	Very low	25	Very low	200 Å²	200	150.2 Å²	150.2	94%	0.935	80%	0.798	S	S	*	*				-156.1	129.6	104.9	-115	175.4	-170.9	0	0	111.6
796	S	25.1	Very low	25	Very low	103 Å²	103	149 Å²	149	72%	0.72	80%	0.796	S	S	*	*			trans	-106.2	139.6	-177.7	40.6	0	0	0	0	109.2
797	Q	25.8	Very low	25	Very low	203 Å²	203	154.5 Å²	154.5	95%	0.949	80%	0.795	S	S	*	*			trans	-135.7	119.8	148.2	-78.6	-163.7	-2.5	0	0	111.7
798	S	24.3	Very low	25	Very low	70 Å²	70	151.2 Å²	151.2	49%	0.49	79%	0.79	S	S	.	*			trans	-71.8	157.8	174.3	54.7	0	0	0	0	114	Y800	S798-Y800 VanDerWaalsContact CB-CE2 3.45Å; S798-Y800 WeakPolarHBondContact CB-OH 3.33Å; S798-Y800 WeakPolarHBondContact OG-CE2 3.37Å; S798-Y800 PolarHBondContact OG-OH 3.24Å
799	S	23.5	Very low	25	Very low	123 Å²	123	146.9 Å²	146.9	86%	0.86	78%	0.777	S	S	*	*				-148.4	150	129.6	65.3	0	0	0	0	111.1
800	Y	28.2	Very low	25.2	Very low	205 Å²	205	142.6 Å²	142.6	80%	0.804	77%	0.769	S	S	*	*			trans	-111.6	157.2	-151.3	-48.3	-99.3	0	0	0	111	S798	S798-Y800 VanDerWaalsContact CB-CE2 3.45Å; S798-Y800 WeakPolarHBondContact CB-OH 3.33Å; S798-Y800 WeakPolarHBondContact OG-CE2 3.37Å; S798-Y800 PolarHBondContact OG-OH 3.24Å
801	G	25.6	Very low	25.7	Very low	85 Å²	85	140.2 Å²	140.2	88%	0.876	77%	0.769	S	S	*	*			trans	-178.3	75	164.7	0	0	0	0	0	112.1
802	L	26.9	Very low	26.4	Very low	156 Å²	156	139.5 Å²	139.5	82%	0.817	78%	0.775	S	S	*	*			trans	-101.8	133	174.1	-175	73.3	0	0	0	109.6
803	S	23	Very low	27.1	Very low	122 Å²	122	135.4 Å²	135.4	85%	0.853	77%	0.774	S	S	*	*			trans	-123.8	143	160.9	-61.8	0	0	0	0	109.2
804	T	26.2	Very low	27.4	Very low	109 Å²	109	133.5 Å²	133.5	67%	0.669	78%	0.779	S	S	*	*			trans	-105.7	136.7	-148.3	-54.1	0	0	0	0	113
805	I	31.4	Very low	28.4	Very low	144 Å²	144	134.8 Å²	134.8	74%	0.738	79%	0.787	S	S	*	*			trans	54.6	117.8	147.5	-62.7	168.3	0	0	0	119.6
806	T	24	Very low	30.2	Very low	137 Å²	137	130.5 Å²	130.5	84%	0.84	77%	0.77	S	S	*	*				-158.8	129.4	116.7	-12.4	0	0	0	0	111.8
807	R	26.9	Very low	32.4	Very low	219 Å²	219	130.8 Å²	130.8	83%	0.826	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-88.3	128.4	173.8	171.7	-178	179.3	163.1	0.3	109.1
808	P	24.5	Very low	35	Very low	118 Å²	118	127.6 Å²	127.6	77%	0.766	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-91.5	134.2	154.1	7.8	11.3	0	0	0	109.6
809	T	27.6	Very low	37.8	Very low	109 Å²	109	125 Å²	125	67%	0.669	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-70.3	147.9	167.1	36.4	0	0	0	0	111.5
810	S	28.4	Very low	40.6	Very low	99 Å²	99	125 Å²	125	69%	0.692	72%	0.715	S	S	*	*			trans	76.9	136.6	174.2	74.5	0	0	0	0	118
811	P	34.3	Very low	43.4	Very low	133 Å²	133	122 Å²	122	86%	0.864	70%	0.702	S	S	*	*			trans	-106.3	90.2	152	34	-19.8	0	0	0	108.6
812	T	36.8	Very low	46.5	Very low	132 Å²	132	119.1 Å²	119.1	81%	0.81	67%	0.665	S	S	*	*			trans	-91.4	118.2	141	31.2	0	0	0	0	106.4
813	G	38.2	Very low	49.7	Very low	60 Å²	60	111.9 Å²	111.9	62%	0.619	63%	0.627	S	S	*	*			trans	102.7	103	167.2	0	0	0	0	0	115.3
814	D	30.7	Very low	53.1	Low	165 Å²	165	106.1 Å²	106.1	88%	0.882	59%	0.587	S	S	*	*			trans	-157.3	87.2	134.7	-94.5	-17.2	0	0	0	106.1	L816	D814-L816 VanDerWaalsContact C-N 3.29Å; D814-L816 PolarHBondContact O-N 3.44Å
815	T	42.6	Very low	56.5	Low	139 Å²	139	101 Å²	101	85%	0.853	56%	0.555	S	S	*	*			trans	-66	94.7	168.1	-37.8	0	0	0	0	106.4	L817	T815-L817 PolarHBondContact O-N 3.38Å; T815-L817 VanDerWaalsContact O-N 3.13Å
816	L	60.4	Low	59.4	Low	110 Å²	110	95.4 Å²	95.4	58%	0.576	53%	0.526	S	S	*	.			trans	-51.3	121.6	168.4	-96.2	155.3	0	0	0	107.3	H682 D814 E818	H682-L816 HydrophobicContact CB-CD2 4.47Å; D814-L816 VanDerWaalsContact C-N 3.29Å; D814-L816 PolarHBondContact O-N 3.44Å; L816-E818 PolarHBondContact O-N 2.99Å
817	L	70.8	Confident	62.6	Low	108 Å²	108	89.5 Å²	89.5	57%	0.565	49%	0.489	S	S	*	.			trans	-55.1	113.5	176.2	-73.4	163.2	0	0	0	108.5	T645 L680 H682 T815	T645-L817 VanDerWaalsContact O-CD1 3.31Å; T645-L817 WeakPolarHBondContact O-CD1 3.37Å; L680-L817 VanDerWaalsContact CD1-O 3.29Å; L680-L817 WeakPolarHBondContact CD1-O 3.26Å; H682-L817 PolarHBondContact CE1-O 3.32Å; H682-L817 PolarHBondContact NE2-O 2.98Å; T815-L817 PolarHBondContact O-N 3.38Å; T815-L817 VanDerWaalsContact O-N 3.13Å
818	E	80.5	Confident	65.3	Low	136 Å²	136	83 Å²	83	64%	0.636	46%	0.464	S	S	*	.			trans	-87.2	152.2	175.6	-63.3	-171.7	160.2	0	0	109.9	L816	L816-E818 PolarHBondContact O-N 2.99Å
819	L	82.8	Confident	67.6	Low	16 Å²	16	81.1 Å²	81.1	8%	0.084	45%	0.445	C	S	.	.			trans	-62.1	137.6	168.5	-72.8	175.6	0	0	0	109.7	G647 E676 I679 L680 Y683 R821	G647-L819 WeakPolarHBondContact O-CA 3.33Å; G647-L819 WeakPolarHBondContact O-CD2 3.39Å; E676-L819 HydrophobicContact CB-CD1 4.03Å; E676-L819 HydrophobicContact CG-CD1 3.72Å; I679-L819 HydrophobicContact CB-CD2 4.03Å; I679-L819 HydrophobicContact CD1-CD2 4.22Å; I679-L819 HydrophobicContact CG2-CD2 3.38Å; L680-L819 HydrophobicContact CD1-CD2 3.9Å; L680-L819 HydrophobicContact CD1-CG 4.07Å; L680-L819 HydrophobicContact CG-CD2 4.38Å; Y683-L819 HydrophobicContact CD1-CD1 3.67Å; Y683-L819 HydrophobicContact CD1-CG 4.35Å; Y683-L819 HydrophobicContact CD2-CD1 4.41Å; Y683-L819 HydrophobicContact CD2-CG 4.33Å; Y683-L819 HydrophobicContact CE1-CB 4.26Å; Y683-L819 HydrophobicContact CE1-CD1 3.38Å; Y683-L819 HydrophobicContact CE1-CG 3.8Å; Y683-L819 HydrophobicContact CE2-CB 4.45Å; Y683-L819 HydrophobicContact CE2-CD1 4.16Å; Y683-L819 HydrophobicContact CE2-CG 3.76Å; Y683-L819 HydrophobicContact CG-CD1 4.19Å; Y683-L819 VanDerWaalsContact CZ-CG 3.47Å; Y683-L819 WeakPolarHBondContact OH-CB 3.48Å; Y683-L819 PolarHBondContact OH-N 2.76Å; L819-R821 VanDerWaalsContact C-N 3.27Å; L819-R821 PolarHBondContact O-N 3.1Å
820	E	82.7	Confident	69.3	Low	124 Å²	124	76.8 Å²	76.8	58%	0.579	42%	0.422	S	S	*	.	S	Bend	trans	-59.2	-41.2	174.7	-172.8	-172	159.4	0	0	111.7	G647 H648	G647-E820 PolarHBondContact O-N 2.76Å; H648-E820 IonicContact CE1-OE2 2.98Å; H648-E820 PolarHBondContact CE1-OE2 3.41Å; H648-E820 IonicContact ND1-OE2 2.82Å; H648-E820 PolarHBondContact ND1-OE2 3.07Å
821	R	86.9	Confident	70.3	Confident	140 Å²	140	80.7 Å²	80.7	53%	0.528	44%	0.435	S	S	.	.	S	Bend	trans	-140.7	144.2	175.5	-59.3	-174.6	-169.6	-160.2	2.2	110.1	L819	L819-R821 VanDerWaalsContact C-N 3.27Å; L819-R821 PolarHBondContact O-N 3.1Å
822	R	91.8	Very high	71.2	Confident	25 Å²	25	81.3 Å²	81.3	9%	0.094	44%	0.436	C	S	.	.			trans	-71.1	142	174.2	-61.1	-59.6	-56.9	-91	0.8	110.7	E676 A687 V689 F825	E676-R822 IonicContact OE1-CZ 3.49Å; E676-R822 IonicContact OE1-NE 3.56Å; E676-R822 PolarHBondContact OE1-NE 2.84Å; E676-R822 IonicContact OE1-NH2 4Å; E676-R822 PolarHBondContact OE1-NH2 2.86Å; E676-R822 IonicContact OE2-CZ 2.9Å; E676-R822 IonicContact OE2-NE 3.54Å; E676-R822 PolarHBondContact OE2-NE 3.45Å; E676-R822 IonicContact OE2-NH2 3.39Å; E676-R822 PolarHBondContact OE2-NH2 2.8Å; A687-R822 PolarHBondContact O-NH2 3.28Å; V689-R822 HydrophobicContact CG2-CB 3.72Å; V689-R822 HydrophobicContact CG2-CG 3.75Å; R822-F825 HydrophobicContact CB-CZ 4.45Å
823	I	93.3	Very high	72.2	Confident	5 Å²	5	79.5 Å²	79.5	3%	0.026	42%	0.418	C	S	.	.			trans	-117.8	-37.1	-176.3	-60.8	176.7	0	0	0	111.2	Q649 L661 N663 L675 E676 I679 F825	Q649-I823 HydrophobicContact CB-CD1 4.07Å; L661-I823 HydrophobicContact CD2-CG2 4.48Å; L661-I823 HydrophobicContact CG-CG2 4.2Å; N663-I823 HydrophobicContact CB-CG2 4.15Å; N663-I823 PolarHBondContact N-O 3.18Å; L675-I823 HydrophobicContact CB-CG2 4.35Å; L675-I823 HydrophobicContact CD1-CG2 4.39Å; E676-I823 HydrophobicContact CG-CB 4.05Å; E676-I823 PolarHBondContact OE1-N 2.87Å; I679-I823 HydrophobicContact CD1-CD1 3.27Å; I823-F825 WeakPolarHBondContact O-CD2 3.17Å
824	D	95.6	Very high	73.3	Confident	0 Å²	0	79.1 Å²	79.1	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	117.6	-177.6	-74.3	-24.2	0	0	0	111	N663 F665 R674 L675 E676 P688 V689	N663-D824 PolarHBondContact ND2-OD1 2.89Å; F665-D824 HydrophobicContact CE1-CB 3.96Å; F665-D824 HydrophobicContact CZ-CB 4.49Å; R674-D824 VanDerWaalsContact CB-OD2 3.26Å; R674-D824 WeakPolarHBondContact CB-OD2 3.5Å; R674-D824 IonicContact CZ-OD2 2.78Å; R674-D824 IonicContact NE-OD2 3.47Å; R674-D824 PolarHBondContact NE-OD2 3.35Å; R674-D824 VanDerWaalsContact NE-OD2 3.08Å; R674-D824 IonicContact NH2-OD2 3.42Å; L675-D824 PolarHBondContact N-OD1 3.28Å; L675-D824 PolarHBondContact N-OD2 3.09Å; E676-D824 WeakPolarHBondContact CB-OD2 3.27Å; E676-D824 HydrophobicContact CG-CB 3.89Å; E676-D824 WeakPolarHBondContact CG-OD2 3.25Å; E676-D824 PolarHBondContact N-OD2 3.46Å; E676-D824 VanDerWaalsContact N-OD2 3.17Å; E676-D824 PolarHBondContact OE1-N 2.66Å; E676-D824 VanDerWaalsContact OE1-N 3.13Å; P688-D824 HydrophobicContact CB-CB 3.92Å; V689-D824 PolarHBondContact N-O 2.99Å
825	F	95.6	Very high	74.9	Confident	1 Å²	1	79.3 Å²	79.3	0%	0.004	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.2	177.1	-62.4	-89.6	0	0	0	110.8	F662 N663 V664 F665 V689 I691 Y702 R822 I823 F855 F859	F662-F825 HydrophobicContact CD1-CD2 4.2Å; F662-F825 AromaticContact CD1-CE2 3.64Å; F662-F825 HydrophobicContact CD1-CE2 3.64Å; F662-F825 HydrophobicContact CD1-CZ 4.32Å; F662-F825 HydrophobicContact CE1-CE2 4.34Å; N663-F825 PolarHBondContact O-N 3.41Å; V664-F825 WeakPolarHBondContact CA-O 3.37Å; V664-F825 HydrophobicContact CG2-CB 4.32Å; F665-F825 PolarHBondContact N-O 2.94Å; V689-F825 HydrophobicContact CB-CD1 3.65Å; V689-F825 HydrophobicContact CB-CE1 3.84Å; V689-F825 HydrophobicContact CB-CG 4.5Å; V689-F825 HydrophobicContact CG1-CD1 3.8Å; V689-F825 HydrophobicContact CG1-CE1 3.8Å; V689-F825 HydrophobicContact CG2-CE1 4.36Å; V689-F825 CarbonylContact O-C 3.54Å; V689-F825 VanDerWaalsContact O-CA 3.25Å; V689-F825 WeakPolarHBondContact O-CA 3.34Å; I691-F825 HydrophobicContact CD1-CB 4.07Å; I691-F825 HydrophobicContact CG1-CB 3.95Å; Y702-F825 HydrophobicContact CD1-CD1 4.33Å; Y702-F825 AromaticContact CD1-CE1 3.97Å; Y702-F825 HydrophobicContact CD1-CE1 3.97Å; Y702-F825 HydrophobicContact CG-CE1 4.2Å; R822-F825 HydrophobicContact CB-CZ 4.45Å; I823-F825 WeakPolarHBondContact O-CD2 3.17Å; F825-F855 HydrophobicContact CB-CE2 4Å; F825-F855 HydrophobicContact CB-CZ 4.04Å; F825-F855 AromaticContact CD1-CE2 3.44Å; F825-F855 HydrophobicContact CD1-CE2 3.44Å; F825-F855 VanDerWaalsContact CD1-CE2 3.44Å; F825-F855 AromaticContact CD1-CZ 3.94Å; F825-F855 HydrophobicContact CD1-CZ 3.94Å; F825-F855 HydrophobicContact CD2-CE2 4.09Å; F825-F855 AromaticContact CD2-CZ 3.69Å; F825-F855 HydrophobicContact CD2-CZ 3.69Å; F825-F855 AromaticContact CE1-CE2 3.87Å; F825-F855 HydrophobicContact CE1-CE2 3.87Å; F825-F855 HydrophobicContact CE1-CZ 4.31Å; F825-F855 HydrophobicContact CE2-CE2 4.48Å; F825-F855 HydrophobicContact CE2-CZ 4.11Å; F825-F855 AromaticContact CG-CE2 3.56Å; F825-F855 HydrophobicContact CG-CE2 3.56Å; F825-F855 AromaticContact CG-CZ 3.61Å; F825-F855 HydrophobicContact CG-CZ 3.61Å; F825-F855 HydrophobicContact CZ-CE2 4.37Å; F825-F855 HydrophobicContact CZ-CZ 4.4Å; F825-F859 HydrophobicContact CZ-CZ 4.43Å
826	E	94.2	Very high	75.6	Confident	28 Å²	28	81.5 Å²	81.5	13%	0.131	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132	-174.3	-177.1	174.4	-120.7	0	0	110.7	F665 P667 P688 V689 Q690 I691	F665-E826 HydrophobicContact CD2-CG 4.37Å; F665-E826 HydrophobicContact CE2-CB 3.98Å; F665-E826 HydrophobicContact CE2-CG 3.95Å; F665-E826 HydrophobicContact CZ-CB 4.2Å; F665-E826 WeakPolarHBondContact O-CA 3.15Å; P667-E826 HydrophobicContact CG-CG 4.48Å; P688-E826 HydrophobicContact CB-CB 3.92Å; P688-E826 HydrophobicContact CG-CB 3.62Å; P688-E826 HydrophobicContact CG-CG 4.24Å; P688-E826 WeakPolarHBondContact CG-OE2 3.4Å; V689-E826 PolarHBondContact O-N 3.35Å; Q690-E826 PolarHBondContact NE2-OE2 2.86Å; I691-E826 PolarHBondContact N-O 3.35Å
827	L	91	Very high	75.5	Confident	12 Å²	12	85 Å²	85	6%	0.063	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-73.2	145.3	170.6	-70	167.5	0	0	0	110.8	F665 H666 P667 I691 Y846 D851 I852	F665-L827 PolarHBondContact O-N 3.47Å; H666-L827 HydrophobicContact CB-CD1 4.3Å; P667-L827 VanDerWaalsContact CD-O 3.28Å; P667-L827 WeakPolarHBondContact CD-O 3.38Å; I691-L827 HydrophobicContact CB-CD2 4.28Å; I691-L827 HydrophobicContact CD1-CD2 3.78Å; I691-L827 HydrophobicContact CD1-CG 4.19Å; I691-L827 HydrophobicContact CG2-CD2 4.29Å; L827-Y846 HydrophobicContact CD1-CD1 3.87Å; L827-Y846 HydrophobicContact CD1-CE1 3.76Å; L827-D851 HydrophobicContact CD2-CB 4.31Å; L827-I852 HydrophobicContact CD1-CD1 3.9Å; L827-I852 HydrophobicContact CD1-CG1 4.2Å; L827-I852 HydrophobicContact CD2-CD1 4.39Å; L827-I852 HydrophobicContact CD2-CG1 3.76Å
828	R	83	Confident	75.3	Confident	82 Å²	82	80.4 Å²	80.4	31%	0.309	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-80.5	137.5	179.3	-64.3	178.9	-174.6	-160.4	-2.5	110.6	I691 W693	I691-R828 PolarHBondContact O-NE 3.29Å; W693-R828 HydrophobicContact CH2-CB 3.78Å; W693-R828 HydrophobicContact CZ2-CB 3.59Å; W693-R828 HydrophobicContact CZ2-CG 4.36Å; W693-R828 HydrophobicContact CZ3-CB 4.48Å
829	E	73.3	Confident	74.5	Confident	79 Å²	79	76 Å²	76	37%	0.369	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-67	129.6	168.2	-62.5	-175.6	171.4	0	0	109.4	P667 R835	P667-E829 HydrophobicContact CG-CG 3.76Å; E829-R835 IonicContact OE2-CZ 3.63Å; E829-R835 IonicContact OE2-NE 2.78Å; E829-R835 PolarHBondContact OE2-NE 3.37Å; E829-R835 IonicContact OE2-NH2 3.88Å; E829-R835 PolarHBondContact OE2-NH2 2.92Å
830	G	62.9	Low	73.5	Confident	18 Å²	18	80.3 Å²	80.3	19%	0.186	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-62.6	146.3	172.7	0	0	0	0	0	112.6	V832 E833	G830-V832 PolarHBondContact O-N 3.42Å; G830-E833 WeakPolarHBondContact CA-OE1 3.47Å; G830-E833 VanDerWaalsContact N-CD 3.31Å; G830-E833 PolarHBondContact N-OE1 3.48Å; G830-E833 PolarHBondContact O-N 3Å; G830-E833 VanDerWaalsContact O-N 3.14Å
831	L	49.5	Very low	73.3	Confident	182 Å²	182	77.7 Å²	77.7	95%	0.953	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.5	-177.5	-93	124.7	0	0	0	114.8
832	V	52.6	Low	73.1	Confident	146 Å²	146	71.6 Å²	71.6	89%	0.885	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.5	13.9	-177	-156.2	0	0	0	0	111.5	G830 S834	G830-V832 PolarHBondContact O-N 3.42Å; V832-S834 PolarHBondContact O-N 3.39Å
833	E	59.2	Low	72.9	Confident	94 Å²	94	71.8 Å²	71.8	44%	0.439	36%	0.358	S	S	.	.			trans	-73.4	123	-179.5	-82.1	-178.1	-150.6	0	0	111.3	H666 G830 R835 S838	H666-E833 IonicContact NE2-OE2 3.53Å; G830-E833 WeakPolarHBondContact CA-OE1 3.47Å; G830-E833 VanDerWaalsContact N-CD 3.31Å; G830-E833 PolarHBondContact N-OE1 3.48Å; G830-E833 PolarHBondContact O-N 3Å; G830-E833 VanDerWaalsContact O-N 3.14Å; E833-R835 PolarHBondContact O-N 3.25Å; E833-S838 WeakPolarHBondContact CB-OG 3.43Å; E833-S838 PolarHBondContact OE2-OG 2.89Å
834	S	59.8	Low	72.4	Confident	52 Å²	52	74.8 Å²	74.8	36%	0.364	38%	0.376	S	S	.	.			trans	-69	118.6	169.4	171.4	0	0	0	0	108.8	V832 Y836 W837 S838	V832-S834 PolarHBondContact O-N 3.39Å; S834-Y836 PolarHBondContact O-N 3.27Å; S834-W837 PolarHBondContact O-N 3.1Å; S834-S838 PolarHBondContact O-N 2.91Å; S834-S838 PolarHBondContact O-OG 2.85Å
835	R	65.2	Low	72	Confident	169 Å²	169	76.5 Å²	76.5	64%	0.638	39%	0.394	S	S	*	.	H	α-helix	trans	-52.2	-31.4	179.6	-67.3	-132.4	174.4	119.6	-1.3	114.1	E829 E833 A839	E829-R835 IonicContact OE2-CZ 3.63Å; E829-R835 IonicContact OE2-NE 2.78Å; E829-R835 PolarHBondContact OE2-NE 3.37Å; E829-R835 IonicContact OE2-NH2 3.88Å; E829-R835 PolarHBondContact OE2-NH2 2.92Å; E833-R835 PolarHBondContact O-N 3.25Å; R835-A839 VanDerWaalsContact O-CB 3.31Å; R835-A839 WeakPolarHBondContact O-CB 3.45Å; R835-A839 PolarHBondContact O-N 2.94Å
836	Y	57.5	Low	71.8	Confident	184 Å²	184	76.6 Å²	76.6	72%	0.722	39%	0.394	S	S	*	.	H	α-helix	trans	-72.8	-43	176.6	-68.2	-78.8	0	0	0	112	S834 A839 V840	S834-Y836 PolarHBondContact O-N 3.27Å; Y836-A839 PolarHBondContact O-N 3.47Å; Y836-V840 WeakPolarHBondContact O-CG2 3.4Å; Y836-V840 PolarHBondContact O-N 3Å
837	W	58.2	Low	71.6	Confident	184 Å²	184	75.5 Å²	75.5	70%	0.697	39%	0.389	S	S	*	.	H	α-helix	trans	-68.9	-40.3	177.3	-74.4	118.9	0	0	0	111.5	S834 A839 V840 T841	S834-W837 PolarHBondContact O-N 3.1Å; W837-A839 PolarHBondContact O-N 3.27Å; W837-V840 PolarHBondContact O-N 3.43Å; W837-T841 WeakPolarHBondContact O-CB 3.47Å; W837-T841 PolarHBondContact O-N 3.44Å; W837-T841 PolarHBondContact O-OG1 2.97Å
838	S	65.5	Low	71.6	Confident	11 Å²	11	78.2 Å²	78.2	8%	0.077	41%	0.408	C	S	.	.	H	α-helix	trans	-64	-39.3	173.8	-54.7	0	0	0	0	111.3	T668 E833 S834 V840 T841 S842	T668-S838 PolarHBondContact OG1-O 3.13Å; E833-S838 WeakPolarHBondContact CB-OG 3.43Å; E833-S838 PolarHBondContact OE2-OG 2.89Å; S834-S838 PolarHBondContact O-N 2.91Å; S834-S838 PolarHBondContact O-OG 2.85Å; S838-V840 VanDerWaalsContact C-N 3.27Å; S838-V840 PolarHBondContact O-N 3.27Å; S838-T841 PolarHBondContact O-N 2.84Å; S838-S842 WeakPolarHBondContact O-CA 3.35Å; S838-S842 WeakPolarHBondContact O-CB 3.42Å; S838-S842 PolarHBondContact O-N 3.11Å; S838-S842 PolarHBondContact O-OG 2.76Å
839	A	63.4	Low	72	Confident	43 Å²	43	75.6 Å²	75.6	36%	0.355	40%	0.402	S	S	.	.	H	α-helix	trans	-62.3	-32.7	174.9	0	0	0	0	0	113.5	R835 Y836 W837	R835-A839 VanDerWaalsContact O-CB 3.31Å; R835-A839 WeakPolarHBondContact O-CB 3.45Å; R835-A839 PolarHBondContact O-N 2.94Å; Y836-A839 PolarHBondContact O-N 3.47Å; W837-A839 PolarHBondContact O-N 3.27Å
840	V	61.7	Low	72.9	Confident	108 Å²	108	75.2 Å²	75.2	66%	0.655	40%	0.4	S	S	*	.	H	α-helix	trans	-81.7	-32.2	-179.6	175.2	0	0	0	0	112.4	Y836 W837 S838	Y836-V840 WeakPolarHBondContact O-CG2 3.4Å; Y836-V840 PolarHBondContact O-N 3Å; W837-V840 PolarHBondContact O-N 3.43Å; S838-V840 VanDerWaalsContact C-N 3.27Å; S838-V840 PolarHBondContact O-N 3.27Å
841	T	78.4	Confident	74.3	Confident	69 Å²	69	75.2 Å²	75.2	42%	0.423	40%	0.396	S	S	.	.	H	α-helix	trans	-109.4	-19.5	-170.9	58.6	0	0	0	0	114.3	W837 S838 H843 T844 G845	W837-T841 WeakPolarHBondContact O-CB 3.47Å; W837-T841 PolarHBondContact O-N 3.44Å; W837-T841 PolarHBondContact O-OG1 2.97Å; S838-T841 PolarHBondContact O-N 2.84Å; T841-H843 PolarHBondContact O-N 2.9Å; T841-T844 PolarHBondContact O-N 3.46Å; T841-T844 PolarHBondContact O-OG1 3.47Å; T841-G845 PolarHBondContact O-N 3.16Å
842	S	83.1	Confident	76.5	Confident	11 Å²	11	66.5 Å²	66.5	8%	0.077	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-38.4	-176.7	49.8	0	0	0	0	112.7	T668 D669 S838 T844 G845 Y846	T668-S842 PolarHBondContact O-OG 3.21Å; T668-S842 PolarHBondContact OG1-OG 2.75Å; D669-S842 WeakPolarHBondContact CA-OG 3.4Å; D669-S842 PolarHBondContact N-OG 3.45Å; S838-S842 WeakPolarHBondContact O-CA 3.35Å; S838-S842 WeakPolarHBondContact O-CB 3.42Å; S838-S842 PolarHBondContact O-N 3.11Å; S838-S842 PolarHBondContact O-OG 2.76Å; S842-T844 VanDerWaalsContact C-N 3.31Å; S842-T844 PolarHBondContact O-N 3.32Å; S842-G845 PolarHBondContact O-N 3.24Å; S842-Y846 WeakPolarHBondContact O-CD2 3.3Å; S842-Y846 WeakPolarHBondContact O-CE2 3.34Å
843	H	87.8	Confident	78.5	Confident	30 Å²	30	59.6 Å²	59.6	14%	0.139	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-34.7	-179.3	-167	65.5	0	0	0	112.9	H543 S544 G629 D669 T841 Y846	H543-H843 AromaticContact CE1-CD2 3.89Å; H543-H843 AromaticContact CE1-NE2 3.56Å; H543-H843 PolarHBondContact CE1-O 2.89Å; H543-H843 AromaticContact NE2-CE1 3.81Å; H543-H843 AromaticContact NE2-NE2 3.77Å; H543-H843 PolarHBondContact NE2-O 2.78Å; S544-H843 VanDerWaalsContact CB-CE1 3.5Å; S544-H843 WeakPolarHBondContact CB-CE1 3.12Å; S544-H843 VanDerWaalsContact CB-NE2 3.32Å; S544-H843 WeakPolarHBondContact CB-NE2 3.48Å; S544-H843 PolarHBondContact OG-CE1 2.89Å; S544-H843 VanDerWaalsContact OG-CE1 3.31Å; S544-H843 PolarHBondContact OG-NE2 2.87Å; G629-H843 PolarHBondContact O-CE1 3.14Å; D669-H843 VanDerWaalsContact CG-ND1 3.34Å; D669-H843 IonicContact OD1-CG 2.67Å; D669-H843 IonicContact OD1-ND1 2.84Å; D669-H843 PolarHBondContact OD1-ND1 2.78Å; D669-H843 IonicContact OD2-CE1 3.78Å; D669-H843 IonicContact OD2-CG 3.69Å; D669-H843 IonicContact OD2-ND1 2.95Å; D669-H843 PolarHBondContact OD2-ND1 2.93Å; T841-H843 PolarHBondContact O-N 2.9Å; H843-Y846 VanDerWaalsContact O-CD2 3.27Å; H843-Y846 WeakPolarHBondContact O-CD2 3.38Å; H843-Y846 WeakPolarHBondContact O-CE2 3.36Å
844	T	83.9	Confident	80.1	Confident	67 Å²	67	55.6 Å²	55.6	41%	0.411	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-12.2	-179.1	53.2	0	0	0	0	113.3	T841 S842 Y846	T841-T844 PolarHBondContact O-N 3.46Å; T841-T844 PolarHBondContact O-OG1 3.47Å; S842-T844 VanDerWaalsContact C-N 3.31Å; S842-T844 PolarHBondContact O-N 3.32Å; T844-Y846 PolarHBondContact O-N 3.21Å
845	G	85.8	Confident	81.7	Confident	36 Å²	36	53.1 Å²	53.1	37%	0.371	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-78	-8.9	-172.4	0	0	0	0	0	116.2	T841 S842 W847 C848	T841-G845 PolarHBondContact O-N 3.16Å; S842-G845 PolarHBondContact O-N 3.24Å; G845-W847 VanDerWaalsContact C-N 3.29Å; G845-W847 PolarHBondContact O-N 3.11Å; G845-C848 PolarHBondContact O-N 3.01Å
846	Y	91.1	Very high	83.1	Confident	3 Å²	3	45.1 Å²	45.1	1%	0.012	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-57.7	-40.1	-177	-62	-84.7	0	0	0	112.5	H543 M628 G629 H666 D669 L827 S842 H843 T844 C848 S849 I852	H543-Y846 AromaticContact CD2-CD2 3.86Å; H543-Y846 AromaticContact NE2-CD2 3.84Å; M628-Y846 HydrophobicContact CB-CD1 4.26Å; M628-Y846 HydrophobicContact CB-CG 4.24Å; G629-Y846 WeakPolarHBondContact CA-OH 3.15Å; H666-Y846 HydrophobicContact CB-CE1 4.39Å; H666-Y846 PolarHBondContact N-OH 3.49Å; D669-Y846 WeakPolarHBondContact CB-OH 3.42Å; D669-Y846 VanDerWaalsContact OD2-CE2 3.25Å; D669-Y846 WeakPolarHBondContact OD2-CE2 3.39Å; D669-Y846 PolarHBondContact OD2-OH 3.29Å; L827-Y846 HydrophobicContact CD1-CD1 3.87Å; L827-Y846 HydrophobicContact CD1-CE1 3.76Å; S842-Y846 WeakPolarHBondContact O-CD2 3.3Å; S842-Y846 WeakPolarHBondContact O-CE2 3.34Å; H843-Y846 VanDerWaalsContact O-CD2 3.27Å; H843-Y846 WeakPolarHBondContact O-CD2 3.38Å; H843-Y846 WeakPolarHBondContact O-CE2 3.36Å; T844-Y846 PolarHBondContact O-N 3.21Å; Y846-C848 PolarHBondContact O-N 3.15Å; Y846-C848 VanDerWaalsContact O-N 3.15Å; Y846-S849 PolarHBondContact O-N 3.25Å; Y846-S849 VanDerWaalsContact O-N 3.16Å; Y846-I852 HydrophobicContact CD1-CD1 3.48Å; Y846-I852 VanDerWaalsContact CD1-CD1 3.48Å; Y846-I852 HydrophobicContact CG-CD1 4.03Å; Y846-I852 WeakPolarHBondContact O-CD1 3.22Å
847	W	91.4	Very high	84.8	Confident	6 Å²	6	36.4 Å²	36.4	2%	0.023	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-62.8	-25.6	-174.1	-51.2	113.2	0	0	0	115.1	V417 I430 N433 M436 L437 V541 H543 M628 G845	V417-W847 HydrophobicContact CG1-CE3 4.33Å; V417-W847 HydrophobicContact CG1-CH2 3.69Å; V417-W847 HydrophobicContact CG1-CZ3 3.35Å; I430-W847 HydrophobicContact CD1-CH2 4.48Å; N433-W847 HydrophobicContact CB-CB 4.18Å; N433-W847 HydrophobicContact CB-CD2 3.84Å; N433-W847 HydrophobicContact CB-CE3 4.44Å; N433-W847 HydrophobicContact CB-CG 3.7Å; N433-W847 PolarHBondContact ND2-NE1 3.29Å; M436-W847 CarbonylContact C-O 3.36Å; M436-W847 HydrophobicContact CE-CB 4.32Å; L437-W847 WeakPolarHBondContact CA-O 3.27Å; L437-W847 HydrophobicContact CD2-CE3 4.37Å; L437-W847 HydrophobicContact CD2-CZ3 4.46Å; L437-W847 PolarHBondContact N-O 3.11Å; V541-W847 HydrophobicContact CG1-CZ3 4.47Å; H543-W847 HydrophobicContact CB-CH2 3.62Å; H543-W847 HydrophobicContact CB-CZ2 3.28Å; H543-W847 AromaticContact CG-CZ2 3.65Å; M628-W847 HydrophobicContact CE-CE3 3.86Å; M628-W847 HydrophobicContact CE-CH2 3.63Å; M628-W847 HydrophobicContact CE-CZ2 4.32Å; M628-W847 HydrophobicContact CE-CZ3 3.35Å; G845-W847 VanDerWaalsContact C-N 3.29Å; G845-W847 PolarHBondContact O-N 3.11Å
848	C	90.1	Very high	86.4	Confident	69 Å²	69	28.9 Å²	28.9	47%	0.466	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-101.9	0.9	-177.5	-55.7	0	0	0	0	112.9	M436 G845 Y846 H850	M436-C848 PolarHBondContact SD-SG 2.64Å; G845-C848 PolarHBondContact O-N 3.01Å; Y846-C848 PolarHBondContact O-N 3.15Å; Y846-C848 VanDerWaalsContact O-N 3.15Å; C848-H850 PolarHBondContact O-N 3.35Å
849	S	91.7	Very high	87.6	Confident	27 Å²	27	29.8 Å²	29.8	19%	0.189	19%	0.186	C	C	.	.			trans	-80.1	117.4	-175.8	179.7	0	0	0	0	111.4	Y846 D851 I852 A853	Y846-S849 PolarHBondContact O-N 3.25Å; Y846-S849 VanDerWaalsContact O-N 3.16Å; S849-D851 PolarHBondContact O-N 3.28Å; S849-D851 PolarHBondContact OG-N 3.17Å; S849-I852 PolarHBondContact O-N 3.47Å; S849-I852 PolarHBondContact OG-N 3.5Å; S849-A853 PolarHBondContact O-N 2.91Å
850	H	92.4	Very high	88.9	Confident	71 Å²	71	28.1 Å²	28.1	33%	0.329	17%	0.171	S	C	.	.	H	α-helix	trans	-66.2	-29	174	-64.2	83.7	0	0	0	112	M444 C694 C848 I852 A853 L854	M444-H850 HydrophobicContact CE-CB 4.41Å; M444-H850 HydrophobicContact SD-CB 4.19Å; C694-H850 HydrophobicContact CB-CB 3.82Å; C848-H850 PolarHBondContact O-N 3.35Å; H850-I852 VanDerWaalsContact C-N 3.35Å; H850-A853 PolarHBondContact O-N 3.32Å; H850-L854 PolarHBondContact O-N 3.29Å
851	D	93.1	Very high	90.2	Very high	17 Å²	17	23.2 Å²	23.2	9%	0.091	14%	0.141	C	C	.	.	H	α-helix	trans	-66.4	-39.9	176.6	-62.9	-12.1	0	0	0	110.7	I691 C694 L827 S849 F855	I691-D851 HydrophobicContact CG2-CB 4.17Å; C694-D851 VanDerWaalsContact CB-OD1 3.26Å; C694-D851 WeakPolarHBondContact CB-OD1 3.49Å; C694-D851 PolarHBondContact N-OD1 3.11Å; C694-D851 PolarHBondContact SG-OD1 2.86Å; L827-D851 HydrophobicContact CD2-CB 4.31Å; S849-D851 PolarHBondContact O-N 3.28Å; S849-D851 PolarHBondContact OG-N 3.17Å; D851-F855 VanDerWaalsContact O-CB 3.27Å; D851-F855 WeakPolarHBondContact O-CB 3.43Å; D851-F855 PolarHBondContact O-N 3.47Å
852	I	94.3	Very high	89.6	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-67.8	-44.1	174	-62.8	178.3	0	0	0	110.7	M628 L827 Y846 S849 H850 L854 F855 L856	M628-I852 HydrophobicContact SD-CD1 4.44Å; M628-I852 HydrophobicContact SD-CG2 3.96Å; L827-I852 HydrophobicContact CD1-CD1 3.9Å; L827-I852 HydrophobicContact CD1-CG1 4.2Å; L827-I852 HydrophobicContact CD2-CD1 4.39Å; L827-I852 HydrophobicContact CD2-CG1 3.76Å; Y846-I852 HydrophobicContact CD1-CD1 3.48Å; Y846-I852 VanDerWaalsContact CD1-CD1 3.48Å; Y846-I852 HydrophobicContact CG-CD1 4.03Å; Y846-I852 WeakPolarHBondContact O-CD1 3.22Å; S849-I852 PolarHBondContact O-N 3.47Å; S849-I852 PolarHBondContact OG-N 3.5Å; H850-I852 VanDerWaalsContact C-N 3.35Å; I852-L854 VanDerWaalsContact C-N 3.3Å; I852-L854 PolarHBondContact O-N 3.31Å; I852-F855 WeakPolarHBondContact O-CB 3.47Å; I852-F855 PolarHBondContact O-N 2.87Å; I852-F855 VanDerWaalsContact O-N 3.12Å; I852-L856 HydrophobicContact CG2-CD1 4.01Å; I852-L856 HydrophobicContact CG2-CG 4.12Å; I852-L856 WeakPolarHBondContact O-CG 3.3Å; I852-L856 PolarHBondContact O-N 3.17Å
853	A	94.4	Very high	88.2	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.008	16%	0.162	C	C	.	.	H	α-helix	trans	-56	-46.7	177.5	0	0	0	0	0	111.4	V441 M444 S849 H850 L856 L857	V441-A853 HydrophobicContact CG2-CB 3.84Å; M444-A853 HydrophobicContact CG-CB 4.02Å; S849-A853 PolarHBondContact O-N 2.91Å; H850-A853 PolarHBondContact O-N 3.32Å; A853-L856 PolarHBondContact O-N 2.96Å; A853-L857 WeakPolarHBondContact O-CG 3.41Å; A853-L857 PolarHBondContact O-N 3.43Å; A853-L857 VanDerWaalsContact O-N 3.12Å
854	L	93.1	Very high	85.7	Confident	9 Å²	9	32.5 Å²	32.5	5%	0.047	19%	0.191	C	C	.	.	H	α-helix	trans	-64.5	-41.4	175	179.7	59.3	0	0	0	112.3	M444 H448 F449 H850 I852 L857 T858	M444-L854 HydrophobicContact CB-CB 4.41Å; M444-L854 HydrophobicContact CG-CB 4.11Å; M444-L854 HydrophobicContact SD-CB 4.4Å; H448-L854 HydrophobicContact CB-CD1 4.15Å; F449-L854 HydrophobicContact CE2-CD1 3.78Å; F449-L854 HydrophobicContact CZ-CD1 4.41Å; H850-L854 PolarHBondContact O-N 3.29Å; I852-L854 VanDerWaalsContact C-N 3.3Å; I852-L854 PolarHBondContact O-N 3.31Å; L854-L857 PolarHBondContact O-N 3.33Å; L854-T858 PolarHBondContact O-N 2.68Å; L854-T858 PolarHBondContact O-OG1 3.4Å
855	F	94.1	Very high	83	Confident	1 Å²	1	35.3 Å²	35.3	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-59	-46.9	177	174	-91.6	0	0	0	112	F626 F662 V664 I691 Y702 F825 D851 I852 T858 F859	F626-F855 HydrophobicContact CD1-CE1 4.06Å; F626-F855 HydrophobicContact CE1-CE1 4.06Å; F662-F855 HydrophobicContact CD1-CE1 4.32Å; F662-F855 AromaticContact CD1-CZ 3.92Å; F662-F855 HydrophobicContact CD1-CZ 3.92Å; F662-F855 HydrophobicContact CE1-CZ 4.43Å; V664-F855 HydrophobicContact CG2-CD1 4.12Å; V664-F855 HydrophobicContact CG2-CE1 3.49Å; V664-F855 VanDerWaalsContact CG2-CE1 3.49Å; V664-F855 HydrophobicContact CG2-CZ 3.91Å; I691-F855 HydrophobicContact CD1-CD2 4.01Å; I691-F855 HydrophobicContact CD1-CE2 4.31Å; I691-F855 HydrophobicContact CD1-CG 4.17Å; I691-F855 HydrophobicContact CG1-CD2 3.85Å; I691-F855 HydrophobicContact CG1-CE2 4.13Å; I691-F855 HydrophobicContact CG1-CG 4.45Å; I691-F855 HydrophobicContact CG2-CB 4.08Å; I691-F855 HydrophobicContact CG2-CD2 4.27Å; I691-F855 HydrophobicContact CG2-CG 4.5Å; Y702-F855 HydrophobicContact CE1-CD2 4.44Å; Y702-F855 AromaticContact CE2-CD2 3.88Å; Y702-F855 HydrophobicContact CE2-CD2 3.88Å; Y702-F855 HydrophobicContact CE2-CE2 4.33Å; Y702-F855 AromaticContact CZ-CD2 3.76Å; F825-F855 HydrophobicContact CB-CE2 4Å; F825-F855 HydrophobicContact CB-CZ 4.04Å; F825-F855 AromaticContact CD1-CE2 3.44Å; F825-F855 HydrophobicContact CD1-CE2 3.44Å; F825-F855 VanDerWaalsContact CD1-CE2 3.44Å; F825-F855 AromaticContact CD1-CZ 3.94Å; F825-F855 HydrophobicContact CD1-CZ 3.94Å; F825-F855 HydrophobicContact CD2-CE2 4.09Å; F825-F855 AromaticContact CD2-CZ 3.69Å; F825-F855 HydrophobicContact CD2-CZ 3.69Å; F825-F855 AromaticContact CE1-CE2 3.87Å; F825-F855 HydrophobicContact CE1-CE2 3.87Å; F825-F855 HydrophobicContact CE1-CZ 4.31Å; F825-F855 HydrophobicContact CE2-CE2 4.48Å; F825-F855 HydrophobicContact CE2-CZ 4.11Å; F825-F855 AromaticContact CG-CE2 3.56Å; F825-F855 HydrophobicContact CG-CE2 3.56Å; F825-F855 AromaticContact CG-CZ 3.61Å; F825-F855 HydrophobicContact CG-CZ 3.61Å; F825-F855 HydrophobicContact CZ-CE2 4.37Å; F825-F855 HydrophobicContact CZ-CZ 4.4Å; D851-F855 VanDerWaalsContact O-CB 3.27Å; D851-F855 WeakPolarHBondContact O-CB 3.43Å; D851-F855 PolarHBondContact O-N 3.47Å; I852-F855 WeakPolarHBondContact O-CB 3.47Å; I852-F855 PolarHBondContact O-N 2.87Å; I852-F855 VanDerWaalsContact O-N 3.12Å; F855-T858 WeakPolarHBondContact O-CB 3.4Å; F855-T858 PolarHBondContact O-N 3.3Å; F855-F859 HydrophobicContact CD2-CD2 4.5Å; F855-F859 AromaticContact CD2-CE2 3.91Å; F855-F859 HydrophobicContact CD2-CE2 3.91Å; F855-F859 HydrophobicContact CZ-CE2 3.57Å; F855-F859 HydrophobicContact CE1-CD2 4.18Å; F855-F859 WeakPolarHBondContact O-CD2 3.38Å; F855-F859 VanDerWaalsContact O-CD2 3.31Å; F855-F859 AromaticContact CZ-CE2 3.57Å; F855-F859 HydrophobicContact CZ-CD2 4.03Å; F855-F859 HydrophobicContact CG-CE2 4.47Å; F855-F859 HydrophobicContact CE2-CZ 4.37Å; F855-F859 VanDerWaalsContact CE2-CE2 3.44Å; F855-F859 HydrophobicContact CE2-CE2 3.44Å; F855-F859 AromaticContact CE2-CE2 3.44Å; F855-F859 HydrophobicContact CE2-CD2 4.21Å; F855-F859 HydrophobicContact CE1-CE2 4.17Å
856	L	95	Very high	80.1	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-60.3	-50.9	177.1	-68.4	175.4	0	0	0	110.5	L437 F459 V541 F626 I852 A853 T858 F859 L860	L437-L856 HydrophobicContact CD1-CD1 4.09Å; L437-L856 HydrophobicContact CD2-CD1 4.39Å; F459-L856 HydrophobicContact CE1-CD1 4.25Å; V541-L856 HydrophobicContact CG2-CD1 4.38Å; V541-L856 HydrophobicContact CG2-CD2 4.06Å; F626-L856 HydrophobicContact CB-CD2 4.2Å; F626-L856 HydrophobicContact CD1-CD2 3.53Å; F626-L856 HydrophobicContact CD2-CD2 3.88Å; F626-L856 HydrophobicContact CE1-CD2 3.75Å; F626-L856 HydrophobicContact CE2-CD2 4.07Å; F626-L856 HydrophobicContact CG-CD2 3.6Å; F626-L856 HydrophobicContact CZ-CD2 4.02Å; I852-L856 HydrophobicContact CG2-CD1 4.01Å; I852-L856 HydrophobicContact CG2-CG 4.12Å; I852-L856 WeakPolarHBondContact O-CG 3.3Å; I852-L856 PolarHBondContact O-N 3.17Å; A853-L856 PolarHBondContact O-N 2.96Å; L856-T858 PolarHBondContact O-N 3.44Å; L856-F859 PolarHBondContact O-N 3.32Å; L856-L860 HydrophobicContact CB-CD1 4.01Å; L856-L860 WeakPolarHBondContact O-CB 3.47Å; L856-L860 WeakPolarHBondContact O-CD1 3.12Å; L856-L860 WeakPolarHBondContact O-CG 3.28Å; L856-L860 PolarHBondContact O-N 3.02Å
857	L	92.3	Very high	76.9	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-56.7	-37.4	178.5	-74	-177.7	0	0	0	113	V441 M444 E445 F449 A853 L854 F859 L860 Y861	V441-L857 HydrophobicContact CG1-CD1 4.02Å; V441-L857 HydrophobicContact CG1-CD2 3.64Å; V441-L857 HydrophobicContact CG1-CG 3.94Å; M444-L857 HydrophobicContact CB-CD1 3.96Å; E445-L857 HydrophobicContact CB-CD1 3.94Å; F449-L857 HydrophobicContact CD2-CB 4.22Å; F449-L857 HydrophobicContact CD2-CD1 3.91Å; F449-L857 HydrophobicContact CE2-CB 3.61Å; F449-L857 HydrophobicContact CE2-CD1 3.99Å; F449-L857 HydrophobicContact CE2-CG 4.47Å; F449-L857 HydrophobicContact CZ-CB 4.06Å; A853-L857 WeakPolarHBondContact O-CG 3.41Å; A853-L857 PolarHBondContact O-N 3.43Å; A853-L857 VanDerWaalsContact O-N 3.12Å; L854-L857 PolarHBondContact O-N 3.33Å; L857-F859 PolarHBondContact O-N 3.33Å; L857-F859 VanDerWaalsContact O-N 3.13Å; L857-L860 PolarHBondContact O-N 2.96Å; L857-Y861 HydrophobicContact CB-CD2 4.36Å; L857-Y861 HydrophobicContact CD2-CD2 3.97Å; L857-Y861 HydrophobicContact CD2-CE2 3.53Å; L857-Y861 HydrophobicContact CG-CE2 4.47Å; L857-Y861 PolarHBondContact O-N 3.5Å
858	T	91.2	Very high	74.1	Confident	27 Å²	27	49 Å²	49	17%	0.166	30%	0.303	C	S	.	.	H	α-helix	trans	-60	-24.7	179.3	-56.9	0	0	0	0	113.3	Y702 L854 F855 L856	Y702-T858 HydrophobicContact CD2-CG2 4.02Å; Y702-T858 HydrophobicContact CE2-CG2 4.08Å; L854-T858 PolarHBondContact O-N 2.68Å; L854-T858 PolarHBondContact O-OG1 3.4Å; F855-T858 WeakPolarHBondContact O-CB 3.4Å; F855-T858 PolarHBondContact O-N 3.3Å; L856-T858 PolarHBondContact O-N 3.44Å
859	F	90.9	Very high	71.2	Confident	30 Å²	30	50.3 Å²	50.3	13%	0.132	31%	0.313	C	S	.	.	H	α-helix	trans	-110.6	-11.8	179.4	-64.3	-60.5	0	0	0	114.2	F626 F662 Y702 F825 F855 L856 L857	F626-F859 HydrophobicContact CE1-CB 4.44Å; F626-F859 HydrophobicContact CE1-CD2 4.45Å; F626-F859 HydrophobicContact CZ-CB 4.18Å; F662-F859 HydrophobicContact CD1-CD2 4.32Å; F662-F859 HydrophobicContact CD1-CE2 4.31Å; F662-F859 HydrophobicContact CE1-CB 4.33Å; F662-F859 AromaticContact CE1-CD1 4Å; F662-F859 HydrophobicContact CE1-CD1 4Å; F662-F859 AromaticContact CE1-CD2 3.48Å; F662-F859 HydrophobicContact CE1-CD2 3.48Å; F662-F859 VanDerWaalsContact CE1-CD2 3.48Å; F662-F859 HydrophobicContact CE1-CE1 4.12Å; F662-F859 AromaticContact CE1-CE2 3.62Å; F662-F859 HydrophobicContact CE1-CE2 3.62Å; F662-F859 AromaticContact CE1-CG 3.65Å; F662-F859 HydrophobicContact CE1-CG 3.65Å; F662-F859 AromaticContact CE1-CZ 3.89Å; F662-F859 HydrophobicContact CE1-CZ 3.89Å; F662-F859 HydrophobicContact CZ-CB 3.84Å; F662-F859 HydrophobicContact CZ-CD1 4Å; F662-F859 AromaticContact CZ-CD2 3.89Å; F662-F859 HydrophobicContact CZ-CD2 3.89Å; F662-F859 HydrophobicContact CZ-CE2 4.42Å; F662-F859 AromaticContact CZ-CG 3.62Å; F662-F859 HydrophobicContact CZ-CG 3.62Å; Y702-F859 HydrophobicContact CD2-CE1 4.31Å; Y702-F859 AromaticContact CD2-CE2 3.8Å; Y702-F859 HydrophobicContact CD2-CE2 3.8Å; Y702-F859 AromaticContact CD2-CZ 3.44Å; Y702-F859 HydrophobicContact CD2-CZ 3.44Å; Y702-F859 VanDerWaalsContact CD2-CZ 3.44Å; Y702-F859 HydrophobicContact CE2-CE2 4.2Å; Y702-F859 HydrophobicContact CE2-CZ 4.29Å; Y702-F859 HydrophobicContact CG-CE2 4.44Å; Y702-F859 AromaticContact CG-CZ 3.85Å; Y702-F859 HydrophobicContact CG-CZ 3.85Å; F825-F859 HydrophobicContact CZ-CZ 4.43Å; F855-F859 HydrophobicContact CD2-CD2 4.5Å; F855-F859 AromaticContact CD2-CE2 3.91Å; F855-F859 HydrophobicContact CD2-CE2 3.91Å; F855-F859 HydrophobicContact CZ-CE2 3.57Å; F855-F859 HydrophobicContact CE1-CD2 4.18Å; F855-F859 WeakPolarHBondContact O-CD2 3.38Å; F855-F859 VanDerWaalsContact O-CD2 3.31Å; F855-F859 AromaticContact CZ-CE2 3.57Å; F855-F859 HydrophobicContact CZ-CD2 4.03Å; F855-F859 HydrophobicContact CG-CE2 4.47Å; F855-F859 HydrophobicContact CE2-CZ 4.37Å; F855-F859 VanDerWaalsContact CE2-CE2 3.44Å; F855-F859 HydrophobicContact CE2-CE2 3.44Å; F855-F859 AromaticContact CE2-CE2 3.44Å; F855-F859 HydrophobicContact CE2-CD2 4.21Å; F855-F859 HydrophobicContact CE1-CE2 4.17Å; L856-F859 PolarHBondContact O-N 3.32Å; L857-F859 PolarHBondContact O-N 3.33Å; L857-F859 VanDerWaalsContact O-N 3.13Å
860	L	91.8	Very high	68.3	Low	7 Å²	7	53.3 Å²	53.3	4%	0.037	34%	0.339	C	S	.	.	H	α-helix	trans	-89.4	-39.6	175.8	-66.2	166.7	0	0	0	110.8	V415 V457 F459 S539 F626 L856 L857	V415-L860 HydrophobicContact CG2-CD1 3.98Å; V415-L860 HydrophobicContact CG2-CD2 4.01Å; V457-L860 HydrophobicContact CG1-CD1 3.99Å; V457-L860 HydrophobicContact CG2-CB 3.96Å; F459-L860 HydrophobicContact CE1-CD1 4.42Å; F459-L860 HydrophobicContact CZ-CD1 3.91Å; S539-L860 WeakPolarHBondContact OG-CD2 3.35Å; F626-L860 HydrophobicContact CE2-CD2 4.14Å; L856-L860 HydrophobicContact CB-CD1 4.01Å; L856-L860 WeakPolarHBondContact O-CB 3.47Å; L856-L860 WeakPolarHBondContact O-CD1 3.12Å; L856-L860 WeakPolarHBondContact O-CG 3.28Å; L856-L860 PolarHBondContact O-N 3.02Å; L857-L860 PolarHBondContact O-N 2.96Å
861	Y	87.6	Confident	65.3	Low	6 Å²	6	59 Å²	59	2%	0.024	37%	0.366	C	S	.	.	S	Bend	trans	-80.9	124.8	168.3	-67	-41.6	0	0	0	109.9	E445 F449 E455 V457 L857 K863	E445-Y861 HydrophobicContact CG-CE2 4.33Å; E445-Y861 PolarHBondContact OE1-OH 2.7Å; F449-Y861 HydrophobicContact CB-CD2 4.22Å; F449-Y861 HydrophobicContact CB-CE2 4.28Å; F449-Y861 AromaticContact CD1-CD2 3.77Å; F449-Y861 HydrophobicContact CD1-CD2 3.77Å; F449-Y861 HydrophobicContact CD1-CG 4.48Å; F449-Y861 HydrophobicContact CD2-CD2 4.31Å; F449-Y861 HydrophobicContact CE1-CD2 4.18Å; F449-Y861 AromaticContact CG-CD2 3.85Å; F449-Y861 HydrophobicContact CG-CD2 3.85Å; F449-Y861 HydrophobicContact CG-CE2 4.29Å; E455-Y861 HydrophobicContact CB-CD1 3.7Å; E455-Y861 HydrophobicContact CB-CE1 3.59Å; E455-Y861 VanDerWaalsContact OE2-CD1 3.27Å; E455-Y861 WeakPolarHBondContact OE2-CD1 3.48Å; V457-Y861 HydrophobicContact CG2-CD1 4.12Å; V457-Y861 HydrophobicContact CG2-CE1 3.48Å; V457-Y861 VanDerWaalsContact CG2-CE1 3.48Å; V457-Y861 PolarHBondContact N-OH 3.36Å; L857-Y861 HydrophobicContact CB-CD2 4.36Å; L857-Y861 HydrophobicContact CD2-CD2 3.97Å; L857-Y861 HydrophobicContact CD2-CE2 3.53Å; L857-Y861 HydrophobicContact CG-CE2 4.47Å; L857-Y861 PolarHBondContact O-N 3.5Å; Y861-K863 PolarHBondContact O-N 3.1Å
862	D	67	Low	62.4	Low	87 Å²	87	67 Å²	67	47%	0.465	40%	0.403	S	S	.	.			trans	-70.2	124.4	-168.6	-137.5	-21.1	0	0	0	109.6	K537 S864	K537-D862 IonicContact NZ-OD2 2.64Å; K537-D862 PolarHBondContact NZ-OD2 3.43Å; D862-S864 PolarHBondContact O-N 2.86Å; D862-S864 VanDerWaalsContact C-N 3.34Å
863	K	54.1	Low	59.3	Low	112 Å²	112	73.2 Å²	73.2	49%	0.487	44%	0.441	S	S	.	.			trans	-80.1	96.5	155.9	-70.7	-172.4	-174.7	-174.6	0	105.2	S701 Y861 T865	S701-K863 PolarHBondContact OG-NZ 2.6Å; Y861-K863 PolarHBondContact O-N 3.1Å; K863-T865 PolarHBondContact O-N 3.49Å
864	S	33.9	Very low	56.6	Low	106 Å²	106	78.5 Å²	78.5	74%	0.741	48%	0.475	S	S	*	.			trans	-42.5	107.8	167.9	53.3	0	0	0	0	109	D862 P866	D862-S864 PolarHBondContact O-N 2.86Å; D862-S864 VanDerWaalsContact C-N 3.34Å; S864-P866 WeakPolarHBondContact O-CD 3.42Å
865	T	27	Very low	53.6	Low	125 Å²	125	87.1 Å²	87.1	77%	0.767	52%	0.516	S	S	*	.			trans	-67.7	120.6	164.7	34	0	0	0	0	104.2	K863 S867	K863-T865 PolarHBondContact O-N 3.49Å; T865-S867 PolarHBondContact O-N 3.14Å
866	P	26.1	Very low	51.2	Low	123 Å²	123	92.9 Å²	92.9	80%	0.799	55%	0.553	S	S	*	*			trans	-61.2	114.8	175.5	23.9	-29.7	0	0	0	106.2	S864 A868	S864-P866 WeakPolarHBondContact O-CD 3.42Å; P866-A868 PolarHBondContact O-N 3.07Å
867	S	24.5	Very low	48.6	Very low	97 Å²	97	104.4 Å²	104.4	68%	0.678	61%	0.614	S	S	*	*			trans	-50.9	115	175.7	55.3	0	0	0	0	108.5	T865 S869	T865-S867 PolarHBondContact O-N 3.14Å; S867-S869 PolarHBondContact O-N 3.24Å
868	A	31.4	Very low	46.4	Very low	112 Å²	112	109.6 Å²	109.6	93%	0.926	65%	0.645	S	S	*	*	S	Bend	trans	-69.5	79.7	166.6	0	0	0	0	0	108.5	P866	P866-A868 PolarHBondContact O-N 3.07Å
869	S	30.5	Very low	44	Very low	97 Å²	97	113.9 Å²	113.9	68%	0.678	67%	0.67	S	S	*	*			trans	-160.2	68.7	170.1	50.7	0	0	0	0	111.3	S867	S867-S869 PolarHBondContact O-N 3.24Å
870	A	29.1	Very low	41.4	Very low	90 Å²	90	118.6 Å²	118.6	74%	0.744	70%	0.7	S	S	*	*			trans	-144.8	76.7	150.1	0	0	0	0	0	107.5	Q872	A870-Q872 VanDerWaalsContact C-N 3.35Å; A870-Q872 PolarHBondContact O-N 2.99Å
871	E	31	Very low	38.4	Very low	190 Å²	190	125.2 Å²	125.2	89%	0.888	74%	0.739	S	S	*	*			trans	-57.3	106	157.8	-80.5	-175.2	155.8	0	0	107.1	T873	E871-T873 PolarHBondContact O-N 3.25Å
872	Q	30.3	Very low	35.4	Very low	186 Å²	186	132.6 Å²	132.6	87%	0.869	78%	0.784	S	S	*	*			trans	-59.3	107.4	167.2	-71.9	177.7	10.7	0	0	107.5	A870	A870-Q872 VanDerWaalsContact C-N 3.35Å; A870-Q872 PolarHBondContact O-N 2.99Å
873	T	29.5	Very low	33.3	Very low	130 Å²	130	135.7 Å²	135.7	80%	0.798	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-68.1	123.4	166.1	-31.6	0	0	0	0	107.1	E871 E875	E871-T873 PolarHBondContact O-N 3.25Å; T873-E875 PolarHBondContact O-N 3.35Å
874	P	39	Very low	31.8	Very low	112 Å²	112	137.4 Å²	137.4	73%	0.727	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-75.4	125.1	173.4	29.9	-28.4	0	0	0	108
875	E	29.2	Very low	31.6	Very low	191 Å²	191	139.8 Å²	139.8	89%	0.893	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-62.1	136.9	168.2	-76.3	-156.9	149.9	0	0	110	T873	T873-E875 PolarHBondContact O-N 3.35Å
876	P	43.4	Very low	32	Very low	121 Å²	121	141 Å²	141	79%	0.786	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-87.6	141.2	164.1	34.2	-27	0	0	0	110.5
877	D	40.3	Very low	32.6	Very low	243 Å²	243	142.6 Å²	142.6	100%	1.299	84%	0.844	S	S	*	*			trans	-13.7	0	176.4	-67.8	-31	0	0	0	119.9

Retrieved 877 of 877 residues in 382.4 ms (Link to these results)

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