A0A087Y9H2_POEFO Loading...

Angel homolog 2 (Drosophila)

AlphaFold DB , UniProt , Accession A0A087Y9H2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 694 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	38.1	Very low	246 Å²	246	159.6 Å²	159.6	100%	1.212	85%	0.854	S	S	*	*				0	152.9	0	-76.9	170.9	165.2	0	0	109
2	H	35.2	Very low	37.7	Very low	183 Å²	183	155.6 Å²	155.6	85%	0.847	85%	0.847	S	S	*	*			trans	-79.6	155.3	171.9	-69.8	-42	0	0	0	111.7
3	L	34.6	Very low	37.7	Very low	177 Å²	177	153.6 Å²	153.6	93%	0.927	84%	0.844	S	S	*	*			trans	-130.3	110.7	146.2	-74.8	175.6	0	0	0	109.5
4	R	44.5	Very low	38.6	Very low	226 Å²	226	150.1 Å²	150.1	85%	0.853	83%	0.832	S	S	*	*			trans	-102.4	165.9	149.6	-74.4	-174.6	172.4	-170.8	-1.9	106.8
5	P	56.8	Low	38.2	Very low	116 Å²	116	151.7 Å²	151.7	75%	0.753	83%	0.83	S	S	*	*				-142.8	158.7	105.8	35.3	-21.3	0	0	0	115.8
6	K	36.4	Very low	37.8	Very low	191 Å²	191	149.6 Å²	149.6	83%	0.83	82%	0.818	S	S	*	*			trans	26.1	124.2	145.3	-57.4	175.1	-179.4	179.2	0	118.7
7	V	38.6	Very low	37.5	Very low	118 Å²	118	154.5 Å²	154.5	72%	0.715	82%	0.822	S	S	*	*			cis	69.9	118.6	44.1	-174.1	0	0	0	0	114.5
8	T	39.5	Very low	38.6	Very low	142 Å²	142	152.2 Å²	152.2	87%	0.871	82%	0.817	S	S	*	*			trans	-131.7	153.9	154.7	44.7	0	0	0	0	108.7
9	N	35.5	Very low	39.3	Very low	151 Å²	151	150.2 Å²	150.2	81%	0.807	81%	0.813	S	S	*	*			trans	-110.3	156.3	-170.9	-70.6	-13.5	0	0	0	112.8
10	G	31.6	Very low	38.9	Very low	75 Å²	75	150.6 Å²	150.6	77%	0.773	81%	0.811	S	S	*	*			trans	-157.8	138.8	162.7	0	0	0	0	0	109.6
11	T	33	Very low	38.6	Very low	131 Å²	131	152 Å²	152	80%	0.804	81%	0.81	S	S	*	*			trans	-143.2	124.6	-160.7	50.1	0	0	0	0	115.1
12	S	32.9	Very low	38.5	Very low	111 Å²	111	147.1 Å²	147.1	78%	0.776	79%	0.788	S	S	*	*			trans	-169.6	109.5	150.2	39.2	0	0	0	0	113.7
13	T	38.1	Very low	38.3	Very low	130 Å²	130	146.3 Å²	146.3	80%	0.798	78%	0.784	S	S	*	*				28.8	154	127.3	57.3	0	0	0	0	122.7
14	P	49.4	Very low	38.1	Very low	104 Å²	104	147.8 Å²	147.8	68%	0.675	78%	0.778	S	S	*	*			cis	-144	-169.7	-31.3	41.9	-23.2	0	0	0	114.2
15	E	32.4	Very low	37.4	Very low	174 Å²	174	143.4 Å²	143.4	81%	0.813	78%	0.776	S	S	*	*			trans	67.6	160.5	156.9	-67.7	-162.5	130.7	0	0	121.4
16	N	31.9	Very low	36.1	Very low	119 Å²	119	142.8 Å²	142.8	64%	0.636	77%	0.774	S	S	*	*			cis	-159.5	105.1	-44.6	-158.4	-6.7	0	0	0	113.3
17	R	33.7	Very low	35.9	Very low	233 Å²	233	137.6 Å²	137.6	88%	0.879	76%	0.762	S	S	*	*			trans	63.9	157	159.3	-76	-179.6	174.4	-164.4	-1	122.4
18	P	56.2	Low	35.4	Very low	112 Å²	112	141.6 Å²	141.6	73%	0.727	77%	0.77	S	S	*	*			trans	-102	-173.3	175.1	44.2	-37.6	0	0	0	112.4
19	P	53	Low	35	Very low	114 Å²	114	139.5 Å²	139.5	74%	0.74	76%	0.761	S	S	*	*				-164	170.3	89.2	44.9	-23.9	0	0	0	120.3
20	M	31.1	Very low	34.9	Very low	159 Å²	159	136.9 Å²	136.9	78%	0.783	76%	0.755	S	S	*	*			trans	40.9	123.9	135.8	-68.3	-139.5	-59.5	0	0	126.8
21	F	32.5	Very low	34.9	Very low	180 Å²	180	138.7 Å²	138.7	79%	0.789	76%	0.755	S	S	*	*				61.4	150.8	121	-90.3	-77.9	0	0	0	126.6
22	L	31.1	Very low	34.9	Very low	143 Å²	143	139 Å²	139	75%	0.749	76%	0.757	S	S	*	*			trans	90.2	102.9	145.6	-75.5	162.7	0	0	0	124
23	H	30.8	Very low	34.9	Very low	166 Å²	166	144.9 Å²	144.9	77%	0.769	76%	0.762	S	S	*	*				71.7	127.1	115.1	-116.5	-10.2	0	0	0	125.8
24	R	30.3	Very low	35.6	Very low	209 Å²	209	143.5 Å²	143.5	79%	0.789	76%	0.756	S	S	*	*				101.5	135.6	123	-131.5	-171.6	-175.6	-167	1.9	121.5
25	V	30	Very low	35	Very low	134 Å²	134	150.5 Å²	150.5	81%	0.812	77%	0.768	S	S	*	*			trans	58	156.2	161.3	-93.6	0	0	0	0	119.2
26	S	30.4	Very low	34.8	Very low	103 Å²	103	145.6 Å²	145.6	72%	0.72	76%	0.764	S	S	*	*			cis	-161.8	-169.9	-8.1	71.6	0	0	0	0	108.7
27	S	31	Very low	35	Very low	81 Å²	81	149 Å²	149	57%	0.566	78%	0.776	S	S	*	*			cis	-168.2	178.4	-13	34.3	0	0	0	0	109.9
28	F	28.8	Very low	35.7	Very low	202 Å²	202	143.6 Å²	143.6	89%	0.886	77%	0.771	S	S	*	*			trans	67.7	165.1	170.7	-62.1	-84.2	0	0	0	117.5
29	S	30.5	Very low	34.6	Very low	98 Å²	98	142.3 Å²	142.3	69%	0.685	77%	0.77	S	S	*	*			cis	174.5	150.1	-31.6	179.3	0	0	0	0	108.7
30	S	33.7	Very low	33.5	Very low	97 Å²	97	144.3 Å²	144.3	68%	0.678	77%	0.774	S	S	*	*			cis	-171.6	-162.2	-27.2	60.6	0	0	0	0	109
31	S	32.9	Very low	33.4	Very low	112 Å²	112	145 Å²	145	78%	0.783	78%	0.775	S	S	*	*			trans	77.6	143.7	178.9	-52.1	0	0	0	0	115.6
32	V	31.8	Very low	33.4	Very low	139 Å²	139	148.5 Å²	148.5	84%	0.842	78%	0.782	S	S	*	*			cis	-137.9	165.3	36.3	166.3	0	0	0	0	113.5
33	R	33.6	Very low	33.3	Very low	233 Å²	233	146.3 Å²	146.3	88%	0.879	79%	0.785	S	S	*	*			trans	-136.1	165.1	171.3	-99.9	-173.5	178.8	-162.6	1.1	107.7
34	P	53.4	Low	33.3	Very low	102 Å²	102	143.6 Å²	143.6	66%	0.662	79%	0.785	S	S	*	*			cis	-160	178.9	47.6	45.5	-24	0	0	0	120.3
35	R	35.7	Very low	33.3	Very low	250 Å²	250	138.9 Å²	138.9	94%	0.943	78%	0.784	S	S	*	*			trans	66.5	150.1	155.2	-72.6	162	-175.8	179.8	0.7	118.1
36	G	27.9	Very low	33.3	Very low	71 Å²	71	140.7 Å²	140.7	73%	0.732	78%	0.783	S	S	*	*			cis	-151.8	-176.7	6.7	0	0	0	0	0	115.5
37	H	37	Very low	33.4	Very low	191 Å²	191	144.7 Å²	144.7	88%	0.884	79%	0.79	S	S	*	*			trans	-129.1	164.7	-174	-100.9	-41.3	0	0	0	108.4
38	P	48.9	Very low	33.6	Very low	120 Å²	120	149.1 Å²	149.1	78%	0.779	80%	0.802	S	S	*	*			cis	-148.8	169.8	49.9	41.2	-20.2	0	0	0	119.9
39	A	32	Very low	34	Very low	84 Å²	84	145.4 Å²	145.4	69%	0.694	80%	0.798	S	S	*	*			trans	12.9	145.6	152.1	0	0	0	0	0	122.8
40	L	30.6	Very low	34	Very low	157 Å²	157	150.9 Å²	150.9	82%	0.822	81%	0.81	S	S	*	*				-162.6	176.5	110.8	-97.5	163.8	0	0	0	111.8
41	H	29.3	Very low	33.9	Very low	173 Å²	173	150.1 Å²	150.1	80%	0.801	81%	0.809	S	S	*	*			trans	-30.1	142.5	-159.6	-72.5	-81.1	0	0	0	123.9
42	R	31.9	Very low	34	Very low	253 Å²	253	150.7 Å²	150.7	96%	0.955	81%	0.81	S	S	*	*			trans	-72.7	122	161.1	-179.1	-168.5	-157.4	171.7	5.6	111
43	A	29.6	Very low	34	Very low	98 Å²	98	152.4 Å²	152.4	81%	0.81	81%	0.809	S	S	*	*			trans	-136.6	136.1	166.4	0	0	0	0	0	109.7
44	S	30.3	Very low	34.1	Very low	109 Å²	109	147.1 Å²	147.1	76%	0.762	81%	0.805	S	S	*	*			trans	-105.8	105.9	-173	53	0	0	0	0	112
45	S	29.2	Very low	33.1	Very low	109 Å²	109	151 Å²	151	76%	0.762	81%	0.814	S	S	*	*			trans	-82.4	113.1	167.5	45.3	0	0	0	0	110.6
46	H	31.4	Very low	33	Very low	172 Å²	172	144.1 Å²	144.1	80%	0.796	80%	0.801	S	S	*	*			trans	-74.3	122.9	165.1	-74.8	-5.8	0	0	0	109.6	Q48	H46-Q48 PolarHBondContact O-N 3.21Å
47	H	31.7	Very low	33.2	Very low	188 Å²	188	152.5 Å²	152.5	87%	0.87	81%	0.811	S	S	*	*			trans	-74.6	114.4	160.1	-85.6	-71.5	0	0	0	108.8
48	Q	35.5	Very low	32.9	Very low	174 Å²	174	155.2 Å²	155.2	81%	0.813	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-77.2	144.3	167.6	-70.8	-177.1	-41.2	0	0	110.3	H46	H46-Q48 PolarHBondContact O-N 3.21Å
49	P	38.1	Very low	32	Very low	123 Å²	123	155.7 Å²	155.7	80%	0.799	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-70.9	150.6	166.3	31.3	-34	0	0	0	110.8
50	F	28.7	Very low	31.9	Very low	214 Å²	214	156.3 Å²	156.3	94%	0.939	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-62.8	135.9	175.2	-93.6	-112.9	0	0	0	111.7
51	A	32	Very low	32.4	Very low	80 Å²	80	154.5 Å²	154.5	66%	0.661	82%	0.822	S	S	*	*			trans	-106.8	137.4	165.1	0	0	0	0	0	109.7
52	P	35.7	Very low	32.4	Very low	125 Å²	125	156.9 Å²	156.9	81%	0.812	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-73.2	139.9	179.3	29.4	-34.1	0	0	0	112
53	H	30.9	Very low	32.4	Very low	175 Å²	175	153.8 Å²	153.8	81%	0.81	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-72.1	138.9	177.2	-71.3	-88.4	0	0	0	112.3
54	P	35.5	Very low	32.6	Very low	122 Å²	122	153.7 Å²	153.7	79%	0.792	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-76.7	137.6	166.8	31.4	-33	0	0	0	111.3
55	H	33.9	Very low	32.7	Very low	184 Å²	184	154.5 Å²	154.5	85%	0.852	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-81.4	157.8	177.2	-91	-86.2	0	0	0	113.3
56	P	33.4	Very low	33	Very low	104 Å²	104	159.7 Å²	159.7	68%	0.675	82%	0.815	S	S	*	*	S	Bend	trans	-104.7	105.7	-147.5	36.4	-32.9	0	0	0	115.2
57	W	32.3	Very low	33.3	Very low	247 Å²	247	156.3 Å²	156.3	94%	0.936	81%	0.808	S	S	*	*			trans	-140	32.4	168	-94.7	86.2	0	0	0	114.3
58	W	30.6	Very low	33.4	Very low	249 Å²	249	153.5 Å²	153.5	94%	0.943	81%	0.806	S	S	*	*			trans	-138.8	84.1	174.8	-80.1	89.9	0	0	0	112.2
59	S	30.1	Very low	33.3	Very low	129 Å²	129	155.8 Å²	155.8	90%	0.902	81%	0.808	S	S	*	*			trans	-163.3	79.1	168.4	-83	0	0	0	0	113.6
60	A	28.8	Very low	33.3	Very low	97 Å²	97	157.8 Å²	157.8	80%	0.802	81%	0.811	S	S	*	*			trans	-158.5	124.3	156.2	0	0	0	0	0	109.4
61	P	42.2	Very low	33.8	Very low	120 Å²	120	152.9 Å²	152.9	78%	0.779	80%	0.801	S	S	*	*			trans	-99.9	154.8	-170.5	36.8	-35.1	0	0	0	114.1
62	R	28.4	Very low	34.1	Very low	223 Å²	223	154.6 Å²	154.6	84%	0.842	81%	0.805	S	S	*	*			trans	-166.4	133.7	144.1	-111.9	162.8	-131.3	-116.2	2.5	114.1
63	F	31.3	Very low	34	Very low	188 Å²	188	154.6 Å²	154.6	83%	0.825	81%	0.805	S	S	*	*			trans	73.4	144	170.1	-60.3	-68.6	0	0	0	119.2
64	P	35.3	Very low	34.2	Very low	95 Å²	95	156.9 Å²	156.9	62%	0.617	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-95.5	161.4	-163.6	38.2	-37.4	0	0	0	114.5
65	P	32	Very low	34.5	Very low	126 Å²	126	156.5 Å²	156.5	82%	0.818	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-71	135.9	170.2	30.6	-34.4	0	0	0	111.6
66	W	34.2	Very low	34.6	Very low	218 Å²	218	153.4 Å²	153.4	83%	0.826	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-83.8	144.7	165.1	-79.5	66.2	0	0	0	110.1
67	P	38.5	Very low	34.6	Very low	102 Å²	102	154.3 Å²	154.3	66%	0.662	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-69.4	152.6	178.9	29.2	-35.1	0	0	0	112.1	R69	P67-R69 PolarHBondContact O-N 3.39Å
68	P	34.8	Very low	34.5	Very low	128 Å²	128	148.4 Å²	148.4	83%	0.831	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-66.8	132.3	-178.5	27.8	-34.7	0	0	0	111.5
69	R	32.9	Very low	34.6	Very low	223 Å²	223	142.1 Å²	142.1	84%	0.842	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-84.6	132.9	170.7	-68.9	-177.9	-179.9	-104.4	1.6	110	P67	P67-R69 PolarHBondContact O-N 3.39Å
70	L	37.8	Very low	34.5	Very low	164 Å²	164	144.1 Å²	144.1	86%	0.859	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-64.5	147.2	170.2	-66.5	167.5	0	0	0	110.7
71	P	38.2	Very low	34.4	Very low	112 Å²	112	149.2 Å²	149.2	73%	0.727	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-71.6	147.5	174.8	30.7	-34.8	0	0	0	111.5
72	P	38.3	Very low	33.8	Very low	115 Å²	115	150.1 Å²	150.1	75%	0.747	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-72.2	155.5	172.4	31.6	-35	0	0	0	111.8
73	P	35.3	Very low	33.8	Very low	125 Å²	125	143.3 Å²	143.3	81%	0.812	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-73.3	155.1	-178.3	30.5	-35.9	0	0	0	113.3
74	Y	33.9	Very low	33.7	Very low	224 Å²	224	142 Å²	142	88%	0.878	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-71.4	141.2	174.6	-72.8	-93.3	0	0	0	112.3
75	P	41.5	Very low	33.3	Very low	114 Å²	114	147.3 Å²	147.3	74%	0.74	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-74.4	154	163.2	32.3	-33.8	0	0	0	111.5
76	P	37.2	Very low	33.1	Very low	118 Å²	118	151 Å²	151	77%	0.766	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-77.8	158.8	-174.7	32	-36.6	0	0	0	113.8
77	P	32.3	Very low	32.8	Very low	123 Å²	123	147.1 Å²	147.1	80%	0.799	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-79.8	150.9	177.7	33	-35.1	0	0	0	113.2
78	C	30	Very low	32.3	Very low	124 Å²	124	152.2 Å²	152.2	84%	0.838	82%	0.816	S	S	*	*			trans	-136.7	160.4	168.8	-91.2	0	0	0	0	110.7
79	P	33.8	Very low	31.9	Very low	116 Å²	116	151.8 Å²	151.8	75%	0.753	81%	0.811	S	S	*	*			trans	-92.4	165.2	-130.1	32.7	-38.1	0	0	0	116.9
80	L	28	Very low	31.6	Very low	171 Å²	171	149 Å²	149	90%	0.895	81%	0.813	S	S	*	*			trans	-56.5	143.5	169.5	-68.3	159.3	0	0	0	112.2
81	F	27.4	Very low	31.2	Very low	205 Å²	205	145.6 Å²	145.6	90%	0.899	81%	0.808	S	S	*	*			trans	-117.2	138	159.9	-111.3	-89.4	0	0	0	110.5
82	T	28.9	Very low	30.6	Very low	138 Å²	138	144.4 Å²	144.4	85%	0.847	82%	0.816	S	S	*	*			trans	-86.7	138.3	-174.9	49.1	0	0	0	0	112.4
83	G	27.9	Very low	29.9	Very low	80 Å²	80	142.8 Å²	142.8	83%	0.825	82%	0.82	S	S	*	*			trans	-145.7	86.8	-179.6	0	0	0	0	0	114
84	N	29.4	Very low	29.5	Very low	160 Å²	160	144.9 Å²	144.9	86%	0.856	82%	0.824	S	S	*	*			trans	10.1	140.3	168.6	-75.4	-8.6	0	0	0	123.4
85	R	27.6	Very low	29.3	Very low	207 Å²	207	143.6 Å²	143.6	78%	0.781	83%	0.826	S	S	*	*			trans	-55.4	153.3	159	-57.5	168.3	174.9	161.6	-4.7	112
86	F	28	Very low	28.4	Very low	203 Å²	203	142 Å²	142	89%	0.89	82%	0.817	S	S	*	*			trans	-132.9	138.3	132.1	-93.3	-80.6	0	0	0	109.8
87	H	28.1	Very low	27.9	Very low	137 Å²	137	145 Å²	145	63%	0.634	82%	0.819	S	S	*	*			trans	-92.7	148.6	170.5	-70.9	-102.2	0	0	0	109.3
88	F	26.9	Very low	27.4	Very low	210 Å²	210	146.5 Å²	146.5	92%	0.921	82%	0.815	S	S	*	*			trans	-130.4	134.9	145.4	-106.6	-83	0	0	0	109.5
89	V	26.5	Very low	27.3	Very low	119 Å²	119	146.3 Å²	146.3	72%	0.721	81%	0.809	S	S	*	*			trans	-113.9	132.7	175	175.2	0	0	0	0	106.7
90	N	26.7	Very low	26.8	Very low	165 Å²	165	146.6 Å²	146.6	88%	0.882	82%	0.815	S	S	*	*			trans	-152.4	161.1	143.9	-135.6	-21.3	0	0	0	110.8
91	A	28.6	Very low	26.9	Very low	92 Å²	92	144.6 Å²	144.6	76%	0.76	81%	0.809	S	S	*	*			trans	-138.4	167	-163.2	0	0	0	0	0	113.5
92	G	25.3	Very low	26.7	Very low	86 Å²	86	142.1 Å²	142.1	89%	0.887	81%	0.805	S	S	*	*			trans	105.9	139.7	159.7	0	0	0	0	0	115.9
93	G	25.3	Very low	26.7	Very low	81 Å²	81	141.2 Å²	141.2	84%	0.835	80%	0.799	S	S	*	*			trans	136.9	87.1	170.3	0	0	0	0	0	114.7
94	L	26.9	Very low	26.6	Very low	170 Å²	170	146.4 Å²	146.4	89%	0.89	80%	0.804	S	S	*	*			trans	-90.6	138.6	159.2	-93	77.1	0	0	0	109.3
95	Q	28	Very low	26.5	Very low	197 Å²	197	147.4 Å²	147.4	92%	0.921	81%	0.806	S	S	*	*			trans	-172.4	151.2	130.6	-107.6	167.5	1.6	0	0	113
96	S	23.9	Very low	26.4	Very low	80 Å²	80	146.8 Å²	146.8	56%	0.559	81%	0.812	S	S	*	*			trans	-99.1	167.6	162.6	50.7	0	0	0	0	108.8
97	F	26	Very low	26.4	Very low	182 Å²	182	148.7 Å²	148.7	80%	0.798	81%	0.813	S	S	*	*			cis	-154.4	169.7	32.6	-80.7	-86.1	0	0	0	113
98	H	22.8	Very low	26.8	Very low	154 Å²	154	148.7 Å²	148.7	71%	0.713	83%	0.825	S	S	*	*			trans	67.8	114.2	144.6	-98	-82.1	0	0	0	122.9
99	T	26.8	Very low	26.8	Very low	119 Å²	119	142 Å²	142	73%	0.73	82%	0.815	S	S	*	*			trans	36.5	117.7	133.9	56	0	0	0	0	120.9
100	S	24.3	Very low	26.8	Very low	123 Å²	123	148.2 Å²	148.2	86%	0.86	83%	0.826	S	S	*	*				-160.6	179	97.2	-156.2	0	0	0	0	112.1
101	V	29.1	Very low	27.1	Very low	128 Å²	128	149.2 Å²	149.2	78%	0.776	83%	0.825	S	S	*	*			trans	-80.5	135.6	178.7	178.3	0	0	0	0	110.9
102	D	23.9	Very low	27.2	Very low	153 Å²	153	150.4 Å²	150.4	82%	0.818	83%	0.825	S	S	*	*			trans	-159.3	166.5	133.9	-132.5	-33.7	0	0	0	114.6
103	V	29.6	Very low	27.6	Very low	120 Å²	120	152.3 Å²	152.3	73%	0.727	82%	0.822	S	S	*	*			trans	-90	131.8	-175.1	176.9	0	0	0	0	111.7
104	M	25	Very low	27.9	Very low	188 Å²	188	156.5 Å²	156.5	93%	0.926	83%	0.825	S	S	*	*			trans	-124	137.4	160.6	-74.5	-160.9	171.2	0	0	112.1
105	M	26.7	Very low	27.9	Very low	182 Å²	182	157.8 Å²	157.8	90%	0.897	82%	0.824	S	S	*	*			trans	-89.2	136.4	168.4	-64.8	-160.8	-164.7	0	0	110.2
106	E	27	Very low	27.9	Very low	193 Å²	193	159.9 Å²	159.9	90%	0.902	82%	0.823	S	S	*	*			trans	-109.3	150.9	156.4	-72.3	-146	117.8	0	0	111.6
107	R	27	Very low	28.1	Very low	243 Å²	243	164.2 Å²	164.2	92%	0.917	84%	0.839	S	S	*	*			trans	-93.6	155.5	178.6	-77.4	-178	175.5	-175.6	-0.3	110.4
108	P	35.6	Very low	28.1	Very low	137 Å²	137	164.8 Å²	164.8	89%	0.89	84%	0.841	S	S	*	*			trans	-74.7	144.6	-164.1	29.6	-36.6	0	0	0	113.7
109	G	26.8	Very low	28.4	Very low	69 Å²	69	163.1 Å²	163.1	71%	0.711	85%	0.847	S	S	*	*			trans	-156.5	120.8	176.5	0	0	0	0	0	115.4
110	R	26.8	Very low	28.4	Very low	251 Å²	251	160.5 Å²	160.5	95%	0.947	84%	0.843	S	S	*	*			trans	71.3	105.2	155.7	-57.2	-176.7	178.6	-172.4	-1.1	119
111	E	33.7	Very low	28.6	Very low	185 Å²	185	164 Å²	164	86%	0.864	85%	0.846	S	S	*	*			trans	-70.7	153.3	154.8	-57.9	178.3	131.1	0	0	111.4
112	P	30.5	Very low	28.6	Very low	117 Å²	117	164 Å²	164	76%	0.76	84%	0.842	S	S	*	*			trans	-79.5	146.1	168.2	32.8	-33.7	0	0	0	112	N114	P112-N114 PolarHBondContact O-N 3.12Å
113	P	33.8	Very low	28.9	Very low	127 Å²	127	168.3 Å²	168.3	83%	0.825	85%	0.847	S	S	*	*			trans	-85.1	116	-169.6	32.1	-34.8	0	0	0	113.6
114	N	31.1	Very low	28.8	Very low	168 Å²	168	171.8 Å²	171.8	90%	0.898	85%	0.852	S	S	*	*			trans	-89	127.2	167	-99.7	-42.2	0	0	0	111.7	P112 R116	P112-N114 PolarHBondContact O-N 3.12Å; N114-R116 PolarHBondContact O-N 3.04Å
115	K	28.1	Very low	29.1	Very low	198 Å²	198	168.5 Å²	168.5	86%	0.861	85%	0.848	S	S	*	*			trans	-70.9	121.1	-173.4	-68.9	177.7	179	176	0	111.6	L117	K115-L117 PolarHBondContact O-N 2.83Å
116	R	26.5	Very low	29.3	Very low	241 Å²	241	166.8 Å²	166.8	91%	0.909	85%	0.847	S	S	*	*			trans	-80.3	74.8	178.6	-165.7	-178	-165.6	174.8	5.8	111.7	N114 K118	N114-R116 PolarHBondContact O-N 3.04Å; R116-K118 PolarHBondContact O-N 3.05Å
117	L	28.7	Very low	29.4	Very low	170 Å²	170	161.1 Å²	161.1	89%	0.89	84%	0.84	S	S	*	*			trans	-64.4	128.4	164.9	-81.3	168.3	0	0	0	109.3	K115	K115-L117 PolarHBondContact O-N 2.83Å
118	K	26	Very low	29.6	Very low	195 Å²	195	157.4 Å²	157.4	85%	0.848	83%	0.833	S	S	*	*			trans	-120	93.4	-174.1	-169.3	-171.9	-176.7	-167.3	0	108.3	R116 G120	R116-K118 PolarHBondContact O-N 3.05Å; K118-G120 PolarHBondContact O-N 3.25Å
119	S	29.4	Very low	29.3	Very low	119 Å²	119	157.4 Å²	157.4	83%	0.832	83%	0.826	S	S	*	*			trans	-64.3	129.9	169.8	50	0	0	0	0	109.7
120	G	26.4	Very low	29.4	Very low	63 Å²	63	160.5 Å²	160.5	65%	0.649	83%	0.831	S	S	*	*			trans	-87.1	-177.2	167.9	0	0	0	0	0	111.7	K118	K118-G120 PolarHBondContact O-N 3.25Å
121	E	28.7	Very low	29.4	Very low	197 Å²	197	153.4 Å²	153.4	92%	0.921	82%	0.819	S	S	*	*			trans	67.6	138.4	176.3	-55.7	177.9	154.9	0	0	113.8
122	D	29.2	Very low	29.3	Very low	129 Å²	129	149.8 Å²	149.8	69%	0.69	82%	0.815	S	S	*	*			cis	-147.2	145.7	5.8	-162	0.1	0	0	0	111.5
123	R	30.2	Very low	29.3	Very low	243 Å²	243	156 Å²	156	92%	0.917	82%	0.823	S	S	*	*			trans	-173.4	117.3	148.9	-110.8	170.1	-170.4	-163	-0.2	112.5
124	K	28.5	Very low	29.1	Very low	193 Å²	193	157.8 Å²	157.8	84%	0.839	83%	0.826	S	S	*	*			trans	-72.5	144	172.1	-60.7	173.2	-179.2	176.4	0	112.1
125	S	30.1	Very low	29	Very low	119 Å²	119	153 Å²	153	83%	0.832	82%	0.816	S	S	*	*			trans	-145.7	130.2	152.8	54.6	0	0	0	0	108.5
126	V	31.2	Very low	29	Very low	145 Å²	145	147.6 Å²	147.6	88%	0.879	82%	0.817	S	S	*	*			trans	-76.7	145.2	-177.3	177	0	0	0	0	110.3
127	G	29.7	Very low	29.1	Very low	74 Å²	74	144.6 Å²	144.6	76%	0.763	82%	0.815	S	S	*	*			trans	-178.4	84.8	177.6	0	0	0	0	0	111.6
128	E	29.9	Very low	29.2	Very low	166 Å²	166	146.4 Å²	146.4	78%	0.776	81%	0.81	S	S	*	*			trans	-76.5	132	173.3	-57.6	170.1	125.3	0	0	110
129	N	29.1	Very low	29.4	Very low	137 Å²	137	143.1 Å²	143.1	73%	0.733	80%	0.797	S	S	*	*				170.6	149.7	105.1	-98.2	-64.5	0	0	0	116
130	V	30.1	Very low	29.4	Very low	134 Å²	134	143.6 Å²	143.6	81%	0.812	80%	0.795	S	S	*	*			trans	64.5	135.3	149	175.5	0	0	0	0	120
131	S	27.3	Very low	29.5	Very low	101 Å²	101	152.1 Å²	152.1	71%	0.706	81%	0.808	S	S	*	*			trans	-90.4	152.6	-179.9	54.3	0	0	0	0	114.7
132	S	30.6	Very low	29.7	Very low	110 Å²	110	147 Å²	147	77%	0.769	80%	0.8	S	S	*	*			trans	-172.8	132.7	130.5	-76.3	0	0	0	0	107.7
133	R	30.1	Very low	29.8	Very low	247 Å²	247	152.5 Å²	152.5	93%	0.932	81%	0.811	S	S	*	*				44.1	110.9	73.7	-73.6	-172	174.4	-178.5	-1.4	111
134	D	29.9	Very low	29.8	Very low	165 Å²	165	145.3 Å²	145.3	88%	0.882	80%	0.803	S	S	*	*				-154.8	179.6	70.7	-153.7	-4.6	0	0	0	112.9
135	G	28.5	Very low	30	Very low	67 Å²	67	146.4 Å²	146.4	69%	0.691	80%	0.802	S	S	*	*			trans	-106.3	155.7	171.8	0	0	0	0	0	113.3
136	G	28.5	Very low	30	Very low	85 Å²	85	147.7 Å²	147.7	88%	0.876	80%	0.795	S	S	*	*			trans	-159.6	117.3	178	0	0	0	0	0	112.3
137	M	29.2	Very low	29.9	Very low	178 Å²	178	151.9 Å²	151.9	88%	0.877	80%	0.795	S	S	*	*			trans	-106.1	169.8	-178.4	-170	67	160.9	0	0	110
138	R	30	Very low	29.9	Very low	208 Å²	208	156.9 Å²	156.9	79%	0.785	80%	0.798	S	S	*	*			trans	81	156	163.6	-55.5	-162.5	93.4	159.1	11.2	117.4
139	E	30.5	Very low	30	Very low	125 Å²	125	154 Å²	154	58%	0.584	80%	0.797	S	S	*	*			cis	-171.2	145.1	-38.1	-135.8	179.2	136.9	0	0	109.2
140	T	30.3	Very low	30	Very low	129 Å²	129	156.5 Å²	156.5	79%	0.791	80%	0.801	S	S	*	*			trans	64	170.8	170.6	76.9	0	0	0	0	115.1
141	R	28.7	Very low	30	Very low	242 Å²	242	158.9 Å²	158.9	91%	0.913	80%	0.803	S	S	*	*			cis	-151.8	152.3	17.7	-166.5	177.6	-174.3	173.9	3.8	111.6
142	A	31.8	Very low	30.1	Very low	91 Å²	91	162.3 Å²	162.3	75%	0.752	81%	0.808	S	S	*	*			trans	-95.8	148	-175.5	0	0	0	0	0	115.2
143	R	31.2	Very low	30.1	Very low	244 Å²	244	165 Å²	165	92%	0.921	81%	0.808	S	S	*	*			trans	-146.1	129.8	148.2	-66.3	-173.1	176.1	-176.3	-1.5	106
144	A	31.2	Very low	30.1	Very low	91 Å²	91	160.5 Å²	160.5	75%	0.752	80%	0.798	S	S	*	*			cis	86.4	137	24.3	0	0	0	0	0	115
145	R	31.8	Very low	30.1	Very low	216 Å²	216	159.6 Å²	159.6	82%	0.815	79%	0.788	S	S	*	*			trans	80.1	147.2	-170.9	-58.1	179.3	177.1	-108.4	8.7	114.8
146	E	29.5	Very low	30.1	Very low	147 Å²	147	166.5 Å²	166.5	69%	0.687	79%	0.793	S	S	*	*			cis	-137.7	169.9	-1.7	-146.3	101.2	-116.4	0	0	110.8
147	R	30.9	Very low	30.3	Very low	233 Å²	233	169.2 Å²	169.2	88%	0.879	79%	0.788	S	S	*	*			trans	-95.7	154.2	170	-62	171.8	173.7	174.5	-4	109.3
148	E	28.3	Very low	30.3	Very low	178 Å²	178	171 Å²	171	83%	0.832	79%	0.791	S	S	*	*			trans	-150.8	158.7	130.4	-129	-178.7	-155.2	0	0	112.5
149	S	32.5	Very low	30.4	Very low	106 Å²	106	171.7 Å²	171.7	74%	0.741	79%	0.794	S	S	*	*			trans	-150.7	137.2	-172.6	55.3	0	0	0	0	109.5
150	K	29.6	Very low	30.6	Very low	189 Å²	189	175.5 Å²	175.5	82%	0.822	80%	0.803	S	S	*	*			trans	-151.3	146.6	168.7	-111.5	157.4	-174.1	166.4	0	112.1
151	Q	30.1	Very low	30.6	Very low	184 Å²	184	176.4 Å²	176.4	86%	0.86	80%	0.802	S	S	*	*			trans	-155	113.2	-174.7	173.5	-168.8	5.1	0	0	107.7
152	E	28.7	Very low	30.5	Very low	173 Å²	173	168.3 Å²	168.3	81%	0.808	80%	0.795	S	S	*	*			trans	-174.8	164.5	177.2	-106.1	157.9	-166.7	0	0	108.8
153	Q	29.8	Very low	30.4	Very low	166 Å²	166	173 Å²	173	78%	0.776	80%	0.801	S	S	*	*				-163.1	136.8	-54	-114	-170.1	18.6	0	0	109.9
154	H	30.9	Very low	30.6	Very low	153 Å²	153	168.9 Å²	168.9	71%	0.708	80%	0.796	S	S	*	*			trans	57.8	154.9	146	-88.9	-100.2	0	0	0	125.6
155	H	29.6	Very low	31	Very low	147 Å²	147	170.8 Å²	170.8	68%	0.681	80%	0.801	S	S	*	*			trans	79.1	147	157.6	-64.4	-34.4	0	0	0	119.3
156	R	29.3	Very low	31.3	Very low	212 Å²	212	164.8 Å²	164.8	80%	0.8	80%	0.797	S	S	*	*			cis	-154.4	169.6	-6.4	-130.4	174.5	-172.8	169.5	4.6	112.5
157	D	32.3	Very low	31.3	Very low	142 Å²	142	165.3 Å²	165.3	76%	0.759	81%	0.805	S	S	*	*			trans	-76	164	-177.5	-41.5	-101.5	0	0	0	116
158	F	28.3	Very low	31.3	Very low	214 Å²	214	161.4 Å²	161.4	94%	0.939	80%	0.797	S	S	*	*			trans	-139.5	147.8	150.2	-111.9	-90.2	0	0	0	111.5
159	R	32.9	Very low	31.2	Very low	224 Å²	224	160.8 Å²	160.8	85%	0.845	79%	0.794	S	S	*	*			trans	-97.5	175.3	170.3	-62.4	-177.2	175.6	-177.6	-2	108.9
160	R	33.9	Very low	30.9	Very low	205 Å²	205	161 Å²	161	77%	0.774	80%	0.795	S	S	*	*			cis	-166.9	179	28.9	-155.1	-166.7	-74.5	-163.9	-0.6	111.4
161	D	30.6	Very low	30.8	Very low	147 Å²	147	162.7 Å²	162.7	79%	0.786	80%	0.796	S	S	*	*			trans	78.8	147.5	161.3	-47.7	-41	0	0	0	116.7
162	G	28.2	Very low	30.7	Very low	73 Å²	73	161.8 Å²	161.8	75%	0.753	80%	0.795	S	S	*	*			cis	-158.6	-177.7	-1.1	0	0	0	0	0	112
163	E	29.5	Very low	30.7	Very low	190 Å²	190	156.6 Å²	156.6	89%	0.888	79%	0.789	S	S	*	*			trans	-96.1	153.5	-161.5	-64.7	-178.6	116.2	0	0	118
164	L	34	Very low	30.4	Very low	157 Å²	157	157.3 Å²	157.3	82%	0.822	79%	0.792	S	S	*	*			trans	4.6	146.6	141.1	-71.8	173.3	0	0	0	119.8
165	P	40.3	Very low	30.5	Very low	130 Å²	130	159 Å²	159	84%	0.844	80%	0.797	S	S	*	*				-149.6	174.8	73.3	40.8	-21.9	0	0	0	118.1
166	A	38.9	Very low	31.3	Very low	90 Å²	90	156.6 Å²	156.6	74%	0.744	80%	0.795	S	S	*	*			trans	-110.8	158.4	168.2	0	0	0	0	0	111
167	N	29	Very low	31.6	Very low	159 Å²	159	156.1 Å²	156.1	85%	0.85	80%	0.799	S	S	*	*			trans	-156.3	178.7	165.7	-134.4	-34.7	0	0	0	115.4
168	H	30.1	Very low	31.5	Very low	151 Å²	151	155.3 Å²	155.3	70%	0.699	80%	0.799	S	S	*	*			trans	-88.2	167.6	-158.4	-81.7	-30.3	0	0	0	118.9
169	Q	26.4	Very low	31.6	Very low	165 Å²	165	155 Å²	155	77%	0.771	79%	0.792	S	S	*	*			trans	19.9	137.3	136.7	-48.8	172.2	13	0	0	118.1
170	S	26.4	Very low	31.5	Very low	109 Å²	109	149.5 Å²	149.5	76%	0.762	78%	0.782	S	S	*	*				-177.7	152.4	52	44.6	0	0	0	0	108.6
171	R	27.2	Very low	31.3	Very low	225 Å²	225	145.3 Å²	145.3	85%	0.849	77%	0.772	S	S	*	*				86.5	131	56	-147.4	-165.5	-166.4	-165.8	6	114.3
172	I	29.4	Very low	31.5	Very low	165 Å²	165	147.6 Å²	147.6	85%	0.846	77%	0.769	S	S	*	*			trans	76.5	146.4	175	-48.9	173.2	0	0	0	113.3
173	G	26.7	Very low	31.5	Very low	65 Å²	65	149.3 Å²	149.3	67%	0.67	77%	0.765	S	S	*	*			cis	-166.6	168	-4.4	0	0	0	0	0	107.7
174	E	25.6	Very low	31.4	Very low	181 Å²	181	151.2 Å²	151.2	85%	0.846	77%	0.766	S	S	*	*			cis	-153.3	146.1	39.2	-70.7	-158.2	105.7	0	0	109.4
175	K	32.2	Very low	31.1	Very low	188 Å²	188	149 Å²	149	82%	0.817	76%	0.763	S	S	*	*				67.2	152.9	71.2	-87.5	177.2	-173.6	169.8	0	115.2
176	P	45.8	Very low	30.7	Very low	97 Å²	97	154.5 Å²	154.5	63%	0.63	77%	0.767	S	S	*	*			cis	-143.6	147.4	0.4	32.6	-9.8	0	0	0	120.2
177	K	36.6	Very low	30.1	Very low	202 Å²	202	159.6 Å²	159.6	88%	0.878	78%	0.775	S	S	*	*			trans	67.6	163.5	143.8	-59.5	166.8	-176.4	174.5	0	119
178	T	28.8	Very low	30	Very low	125 Å²	125	163.5 Å²	163.5	77%	0.767	78%	0.778	S	S	*	*			cis	-133.3	138.9	6.7	36.5	0	0	0	0	112
179	R	31.7	Very low	29.8	Very low	207 Å²	207	163.4 Å²	163.4	78%	0.781	79%	0.789	S	S	*	*				73.9	138.5	87.3	-140.4	-166.8	166.8	-177.6	-3.8	113.7	E181	R179-E181 IonicContact NH2-OE2 3.92Å
180	V	30.3	Very low	29.8	Very low	108 Å²	108	165 Å²	165	66%	0.655	79%	0.793	S	S	*	*			cis	-152.1	131.6	38	-173.9	0	0	0	0	109.8
181	E	30.5	Very low	29.7	Very low	118 Å²	118	165.7 Å²	165.7	55%	0.551	80%	0.796	S	S	*	*				37	153.8	101.8	-54.8	-171.4	99	0	0	117.7	R179	R179-E181 IonicContact NH2-OE2 3.92Å
182	R	33.6	Very low	29.6	Very low	195 Å²	195	163.4 Å²	163.4	74%	0.736	80%	0.795	S	S	*	*			cis	-163	179.5	0.9	-131.2	-174.6	-84.8	137.6	1.4	107.3
183	V	28.4	Very low	29.4	Very low	108 Å²	108	165.6 Å²	165.6	66%	0.655	79%	0.793	S	S	*	*			cis	-162.1	165.8	-4	71.2	0	0	0	0	108.5
184	Y	26.5	Very low	29.3	Very low	231 Å²	231	172.5 Å²	172.5	91%	0.906	80%	0.799	S	S	*	*			trans	-154.6	151.5	148.2	-116.9	-76.1	0	0	0	112.1
185	S	29.3	Very low	29.3	Very low	110 Å²	110	169.8 Å²	169.8	77%	0.769	80%	0.8	S	S	*	*			trans	-122.8	161.7	-163.4	48	0	0	0	0	115.5
186	R	30.6	Very low	29	Very low	245 Å²	245	166.1 Å²	166.1	93%	0.925	80%	0.798	S	S	*	*			trans	-98.7	153	166.7	-95.4	179.8	166.9	172.8	-2.9	109.8
187	E	26.2	Very low	28	Very low	197 Å²	197	166.3 Å²	166.3	92%	0.921	80%	0.801	S	S	*	*			trans	-144.3	167.2	152.8	-132.8	167	-143.2	0	0	112.2
188	R	27.6	Very low	27.6	Very low	242 Å²	242	163.9 Å²	163.9	91%	0.913	80%	0.798	S	S	*	*			trans	-136.2	134.4	-178.2	-93.7	-179.8	164.6	177.2	-4.6	108.9
189	T	26.8	Very low	27.5	Very low	149 Å²	149	168.5 Å²	168.5	91%	0.914	80%	0.801	S	S	*	*			trans	-131.7	163.3	157.6	50.1	0	0	0	0	110.3
190	K	25.7	Very low	27.3	Very low	199 Å²	199	165.8 Å²	165.8	87%	0.865	81%	0.808	S	S	*	*			trans	-150.3	123.5	-165.7	171	-157.8	176	-164.1	0	108.3
191	C	23.9	Very low	27.1	Very low	122 Å²	122	169.4 Å²	169.4	82%	0.824	82%	0.815	S	S	*	*			trans	-152.3	99.7	168.8	-144.8	0	0	0	0	114.7
192	E	25.2	Very low	26.9	Very low	178 Å²	178	170.4 Å²	170.4	83%	0.832	82%	0.824	S	S	*	*			trans	52.8	-160.3	134.8	-50.8	-138.3	113.1	0	0	122.1
193	R	26.3	Very low	26.7	Very low	210 Å²	210	168.2 Å²	168.2	79%	0.792	82%	0.822	S	S	*	*			trans	-147.3	145.5	-140.8	-93.4	178.7	165.6	178.6	-3.1	114.3
194	R	24.8	Very low	26.7	Very low	210 Å²	210	170.9 Å²	170.9	79%	0.792	83%	0.827	S	S	*	*			trans	70.8	146.8	145	-74	177.9	169.2	-173.9	-4.9	120.5
195	S	24.8	Very low	26.8	Very low	125 Å²	125	165.6 Å²	165.6	87%	0.874	82%	0.824	S	S	*	*			trans	69.8	152.1	162.5	71.4	0	0	0	0	116.4
196	S	24.6	Very low	26.6	Very low	110 Å²	110	169.2 Å²	169.2	77%	0.769	83%	0.829	S	S	*	*			cis	-134.4	-173.2	5	67.7	0	0	0	0	113.1
197	S	26.6	Very low	26.4	Very low	101 Å²	101	162 Å²	162	71%	0.706	82%	0.821	S	S	*	*			trans	-66.3	156.1	176.6	51.8	0	0	0	0	114.9
198	D	26.6	Very low	26.5	Very low	151 Å²	151	157.6 Å²	157.6	81%	0.807	82%	0.819	S	S	*	*				-153.9	174.9	109.4	-138.4	-28.7	0	0	0	113.7
199	R	27	Very low	26.3	Very low	223 Å²	223	149.9 Å²	149.9	84%	0.842	81%	0.814	S	S	*	*			trans	-95.5	158	-177.2	-61.4	159.3	160.2	168.5	-5.8	111.9
200	T	27.3	Very low	26.4	Very low	150 Å²	150	148.8 Å²	148.8	92%	0.92	81%	0.813	S	S	*	*			trans	-156.1	164.1	133.1	-2	0	0	0	0	111.8
201	K	27.3	Very low	26.4	Very low	183 Å²	183	150.8 Å²	150.8	80%	0.796	82%	0.815	S	S	*	*			trans	-117	151.4	179.3	-63.5	175.7	177.6	177.9	0	110.3
202	N	26.8	Very low	26.5	Very low	140 Å²	140	151.2 Å²	151.2	75%	0.749	81%	0.814	S	S	*	*				166.5	137.5	125.2	-80.6	-8.8	0	0	0	108
203	Q	27.8	Very low	26.6	Very low	149 Å²	149	150.7 Å²	150.7	70%	0.696	81%	0.812	S	S	*	*			cis	103.7	119.7	29.7	-90.5	-159.4	-19.3	0	0	113.8
204	H	28.8	Very low	26.6	Very low	163 Å²	163	149.7 Å²	149.7	76%	0.755	82%	0.816	S	S	*	*			trans	66.4	155.2	162.8	-60.6	-59.1	0	0	0	116.9
205	S	28.2	Very low	26.8	Very low	120 Å²	120	149.1 Å²	149.1	84%	0.839	82%	0.822	S	S	*	*			cis	-138.1	-166.1	24.5	57.8	0	0	0	0	115.3
206	Q	26.6	Very low	27.1	Very low	186 Å²	186	153.1 Å²	153.1	87%	0.869	82%	0.824	S	S	*	*			trans	-122.7	152.4	-164	-58	168.9	-44.1	0	0	114
207	A	26.3	Very low	27.4	Very low	93 Å²	93	153.9 Å²	153.9	77%	0.769	83%	0.826	S	S	*	*			trans	-171.2	137.6	144.6	0	0	0	0	0	107.2
208	A	27	Very low	27.8	Very low	105 Å²	105	155.8 Å²	155.8	87%	0.868	83%	0.829	S	S	*	*			cis	67.9	118.1	37	0	0	0	0	0	113.8
209	G	24.6	Very low	28.1	Very low	80 Å²	80	155 Å²	155	83%	0.825	83%	0.829	S	S	*	*			cis	155.1	145.9	-9	0	0	0	0	0	112.3
210	S	27.3	Very low	28.4	Very low	127 Å²	127	155.6 Å²	155.6	89%	0.888	83%	0.831	S	S	*	*			trans	-159.4	166.1	169.1	61.6	0	0	0	0	112.6
211	R	26.2	Very low	29	Very low	240 Å²	240	155.7 Å²	155.7	91%	0.906	82%	0.819	S	S	*	*			trans	-143.4	151.5	-179.8	-79.8	179.4	168.3	176.9	-3.4	110.3
212	T	27	Very low	29.3	Very low	131 Å²	131	158.5 Å²	158.5	80%	0.804	83%	0.825	S	S	*	*			trans	-153.9	168.3	148.2	7.5	0	0	0	0	111.2
213	E	27.3	Very low	29.4	Very low	167 Å²	167	155.7 Å²	155.7	78%	0.78	83%	0.829	S	S	*	*			trans	-48.7	147.3	-167.1	-63.2	109.2	165	0	0	116.5
214	Q	25.4	Very low	29.4	Very low	190 Å²	190	160.4 Å²	160.4	89%	0.888	84%	0.84	S	S	*	*			cis	79.6	94.1	41.9	-76.7	-153.2	-4.7	0	0	117
215	E	29.3	Very low	29.5	Very low	197 Å²	197	158.7 Å²	158.7	92%	0.921	84%	0.843	S	S	*	*			trans	-120	166.6	146.2	-69.4	-162.9	130.7	0	0	110.3
216	K	31.7	Very low	29.5	Very low	210 Å²	210	157.7 Å²	157.7	91%	0.913	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-102.1	128.9	-167.8	-63.1	175	-175.8	170.3	0	113.1
217	P	31.2	Very low	29.6	Very low	125 Å²	125	157.2 Å²	157.2	81%	0.812	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-89.8	161.1	175.5	35	-34.9	0	0	0	114.2
218	N	34.3	Very low	29.6	Very low	141 Å²	141	162.3 Å²	162.3	75%	0.754	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-82.5	166.9	-176	-87.3	-42.1	0	0	0	115.1	W220	N218-W220 VanDerWaalsContact C-N 3.34Å; N218-W220 PolarHBondContact O-N 2.86Å
219	V	33.6	Very low	29.5	Very low	134 Å²	134	164.5 Å²	164.5	81%	0.812	84%	0.841	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-17.9	-159.8	-179.9	0	0	0	0	115.8	F221	V219-F221 VanDerWaalsContact C-N 3.26Å; V219-F221 PolarHBondContact O-N 3.11Å
220	W	33.2	Very low	29.6	Very low	236 Å²	236	171.7 Å²	171.7	89%	0.894	84%	0.843	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-15.7	-173.9	-69.3	101.9	0	0	0	115.4	N218	N218-W220 VanDerWaalsContact C-N 3.34Å; N218-W220 PolarHBondContact O-N 2.86Å
221	F	38.8	Very low	29.6	Very low	153 Å²	153	170.2 Å²	170.2	67%	0.671	83%	0.833	S	S	*	*			trans	-125.7	101	-176	-61	-83.8	0	0	0	112.4	V219	V219-F221 VanDerWaalsContact C-N 3.26Å; V219-F221 PolarHBondContact O-N 3.11Å
222	R	33.2	Very low	29.6	Very low	242 Å²	242	165.7 Å²	165.7	91%	0.913	83%	0.826	S	S	*	*			trans	-142.1	106.4	163	-75.4	-163.6	179.1	-152.2	1.9	111.7
223	G	30	Very low	29.6	Very low	80 Å²	80	167.1 Å²	167.1	83%	0.825	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-73.4	157.2	164.1	0	0	0	0	0	112.1
224	R	27.4	Very low	29.7	Very low	248 Å²	248	166.1 Å²	166.1	94%	0.936	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-94.6	140.1	169.9	-60.2	-176.3	-175.8	-168.2	2.6	110.6
225	P	30.5	Very low	29.8	Very low	127 Å²	127	162.1 Å²	162.1	83%	0.825	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-85.4	166.4	147	35	-29.9	0	0	0	110.7
226	A	28.5	Very low	29.7	Very low	100 Å²	100	160.2 Å²	160.2	83%	0.826	79%	0.794	S	S	*	*			trans	-107.9	171.9	-179.2	0	0	0	0	0	113.2
227	E	28.1	Very low	29.5	Very low	175 Å²	175	156.2 Å²	156.2	82%	0.818	79%	0.788	S	S	*	*			trans	-45	149.8	-172.7	-53.4	174.8	149.4	0	0	118.1
228	E	26.2	Very low	29.3	Very low	200 Å²	200	153.5 Å²	153.5	94%	0.935	78%	0.782	S	S	*	*				-140.5	167.7	127	-147.8	172.7	-169	0	0	109.9
229	Q	26.6	Very low	28.9	Very low	152 Å²	152	152.3 Å²	152.3	71%	0.71	79%	0.785	S	S	*	*			trans	-110.2	174.7	-157.5	-62.2	-177.4	-11.1	0	0	115.3
230	R	26.7	Very low	28.7	Very low	231 Å²	231	150.8 Å²	150.8	87%	0.872	79%	0.786	S	S	*	*			trans	86.7	145.5	162.9	-55.2	178.7	-176.8	-159.3	0.7	116
231	S	25.5	Very low	28.5	Very low	96 Å²	96	148.3 Å²	148.3	67%	0.671	79%	0.785	S	S	*	*			cis	-168.7	178.9	-16.5	50.4	0	0	0	0	111
232	L	26.3	Very low	28.8	Very low	145 Å²	145	145.7 Å²	145.7	76%	0.759	78%	0.783	S	S	*	*			trans	83.5	96.1	161.9	-61.9	165	0	0	0	119.3
233	Q	26.8	Very low	28.6	Very low	160 Å²	160	139.8 Å²	139.8	75%	0.748	77%	0.77	S	S	*	*				50.6	133.5	113.1	-81.2	-172.7	-3.8	0	0	123.6
234	Q	29.7	Very low	28.6	Very low	146 Å²	146	143.6 Å²	143.6	68%	0.682	76%	0.763	S	S	*	*			trans	100.9	126.1	134.4	-85.2	-175.9	26.8	0	0	121.7
235	N	27.8	Very low	28.7	Very low	106 Å²	106	138.7 Å²	138.7	57%	0.567	76%	0.761	S	S	*	*			trans	73.6	119.1	142.5	-65.6	-17.2	0	0	0	118.1
236	Q	28.5	Very low	28.5	Very low	157 Å²	157	136 Å²	136	73%	0.734	76%	0.756	S	S	*	*				70.6	137.9	86.7	-68.3	-179.3	73.7	0	0	112.1
237	T	27.3	Very low	28.5	Very low	127 Å²	127	134.7 Å²	134.7	78%	0.779	75%	0.753	S	S	*	*			cis	-161.3	153.6	15.1	-6.1	0	0	0	0	111.6
238	G	26.8	Very low	28.6	Very low	67 Å²	67	133.5 Å²	133.5	69%	0.691	76%	0.757	S	S	*	*			trans	67.8	175	159.9	0	0	0	0	0	117.7
239	S	25.4	Very low	28.8	Very low	117 Å²	117	131.3 Å²	131.3	82%	0.818	75%	0.752	S	S	*	*			cis	163	149.7	-28.7	47.9	0	0	0	0	108.4
240	A	28.4	Very low	29	Very low	102 Å²	102	128.4 Å²	128.4	84%	0.843	75%	0.753	S	S	*	*			trans	80.1	107.9	168.7	0	0	0	0	0	118.8
241	E	29.2	Very low	29.1	Very low	183 Å²	183	120.6 Å²	120.6	86%	0.855	75%	0.745	S	S	*	*			trans	-60.2	175.8	140.1	-105.6	-175.1	-177.2	0	0	111.2
242	P	45.9	Very low	29.2	Very low	99 Å²	99	127.1 Å²	127.1	64%	0.643	76%	0.755	S	S	*	*			cis	-148.5	-176.9	32.4	42.4	-21.1	0	0	0	118.6
243	D	29.8	Very low	29.2	Very low	117 Å²	117	132.6 Å²	132.6	63%	0.626	77%	0.766	S	S	*	*			trans	63.9	149.7	142.3	-81.6	10.6	0	0	0	121.9
244	K	29.5	Very low	29.3	Very low	160 Å²	160	129.6 Å²	129.6	70%	0.696	77%	0.769	S	S	*	*			cis	-170.8	177.4	-22.6	-125.2	-173.4	-157.1	83.8	0	109.4
245	V	29.4	Very low	29.2	Very low	146 Å²	146	126 Å²	126	89%	0.885	77%	0.77	S	S	*	*			trans	74.5	136	167.1	-163.5	0	0	0	0	116.5
246	G	27.1	Very low	29.2	Very low	69 Å²	69	128.2 Å²	128.2	71%	0.711	78%	0.781	S	S	*	*			cis	162.4	165.4	-10.7	0	0	0	0	0	115.2
247	G	27.5	Very low	29.2	Very low	74 Å²	74	128.6 Å²	128.6	76%	0.763	78%	0.783	S	S	*	*			trans	84.1	150.6	174.7	0	0	0	0	0	115.4
248	V	30.8	Very low	29.2	Very low	149 Å²	149	131.8 Å²	131.8	90%	0.903	79%	0.789	S	S	*	*			cis	-162.7	163	-3.9	-82.5	0	0	0	0	108
249	D	30.8	Very low	29.3	Very low	155 Å²	155	137 Å²	137	83%	0.829	80%	0.795	S	S	*	*			cis	-168.8	179.8	-28.6	-176.6	32.1	0	0	0	108.2
250	A	30.3	Very low	29.6	Very low	90 Å²	90	137.5 Å²	137.5	74%	0.744	80%	0.796	S	S	*	*			trans	73.3	146.5	173.3	0	0	0	0	0	117.6
251	G	28	Very low	29.7	Very low	68 Å²	68	137.5 Å²	137.5	70%	0.701	79%	0.789	S	S	*	*			cis	-168.5	83.7	1.5	0	0	0	0	0	116
252	R	28	Very low	29.9	Very low	232 Å²	232	134.2 Å²	134.2	88%	0.875	79%	0.786	S	S	*	*			trans	38.5	109.7	140.5	-166.9	-173.7	-164.9	-175.9	5.7	120.8
253	W	26.6	Very low	29.2	Very low	260 Å²	260	134.7 Å²	134.7	99%	0.985	79%	0.792	S	S	*	*			trans	-136.2	146.3	133.2	-84	91.9	0	0	0	108.7
254	A	28.5	Very low	29.4	Very low	98 Å²	98	137 Å²	137	81%	0.81	80%	0.803	S	S	*	*			trans	-154.8	145.2	-173.2	0	0	0	0	0	113.9
255	G	27.2	Very low	29.6	Very low	69 Å²	69	137.6 Å²	137.6	71%	0.711	81%	0.808	S	S	*	*			trans	119	129.9	171.7	0	0	0	0	0	113.9
256	L	28.4	Very low	30.1	Very low	153 Å²	153	134.6 Å²	134.6	80%	0.801	80%	0.799	S	S	*	*			cis	-154.8	126.1	-11.2	-137.9	127	0	0	0	111.7
257	Q	28.1	Very low	30.5	Very low	166 Å²	166	136.6 Å²	136.6	78%	0.776	79%	0.793	S	S	*	*			trans	31.6	125.6	153.7	-56.5	175.1	-7.9	0	0	121.8
258	H	27.7	Very low	31.1	Very low	193 Å²	193	144.5 Å²	144.5	89%	0.894	80%	0.8	S	S	*	*				-146.8	146.2	114.7	-110	-79.6	0	0	0	109.5
259	Q	29.6	Very low	31.6	Very low	178 Å²	178	146 Å²	146	83%	0.832	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-91.2	143.3	-178	-67.4	-169.2	8.9	0	0	113
260	P	30.9	Very low	32.3	Very low	127 Å²	127	143.7 Å²	143.7	83%	0.825	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-93.3	118.7	154.9	33.5	-26.5	0	0	0	110.6
261	S	30.9	Very low	33.3	Very low	101 Å²	101	144.5 Å²	144.5	71%	0.706	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-88.4	160.9	174.9	54.6	0	0	0	0	112.9
262	S	32.3	Very low	34.7	Very low	114 Å²	114	151 Å²	151	80%	0.797	78%	0.784	S	S	*	*			trans	70.1	118.1	174	71.7	0	0	0	0	116.8
263	S	31	Very low	36	Very low	109 Å²	109	148.3 Å²	148.3	76%	0.762	78%	0.781	S	S	*	*			trans	-83.4	125.6	171.9	45.1	0	0	0	0	110.7	Q265	S263-Q265 PolarHBondContact O-N 3.18Å; S263-Q265 VanDerWaalsContact O-N 3.1Å
264	I	35.3	Very low	37.4	Very low	167 Å²	167	137.9 Å²	137.9	86%	0.856	75%	0.746	S	S	*	*			trans	-73.8	101.5	166.2	-60.3	177.1	0	0	0	107.4	A266	I264-A266 PolarHBondContact O-N 2.99Å
265	Q	33.8	Very low	38.8	Very low	172 Å²	172	138.3 Å²	138.3	80%	0.804	74%	0.741	S	S	*	*			trans	-67	114.5	166.7	-74.9	-175.5	-22.4	0	0	108.8	S263 D267	S263-Q265 PolarHBondContact O-N 3.18Å; S263-Q265 VanDerWaalsContact O-N 3.1Å; Q265-D267 PolarHBondContact O-N 3.48Å; Q265-D267 VanDerWaalsContact O-N 3.11Å
266	A	38.5	Very low	40.1	Very low	83 Å²	83	141.5 Å²	141.5	69%	0.686	74%	0.737	S	S	*	*			trans	-65.3	110	169.1	0	0	0	0	0	108.9	I264 R268	I264-A266 PolarHBondContact O-N 2.99Å; A266-R268 VanDerWaalsContact C-N 3.34Å; A266-R268 PolarHBondContact O-N 2.81Å
267	D	36.1	Very low	41.4	Very low	110 Å²	110	140.1 Å²	140.1	59%	0.588	74%	0.737	S	S	*	*			trans	-69.2	85.3	-174.7	-169.7	-3.2	0	0	0	110.9	Q265 R269	Q265-D267 PolarHBondContact O-N 3.48Å; Q265-D267 VanDerWaalsContact O-N 3.11Å; D267-R269 VanDerWaalsContact CG-NE 3.3Å; D267-R269 PolarHBondContact O-N 3.05Å; D267-R269 WeakPolarHBondContact OD1-CG 3.36Å; D267-R269 IonicContact OD1-NE 2.65Å; D267-R269 PolarHBondContact OD1-NE 2.76Å; D267-R269 IonicContact OD2-CZ 2.93Å; D267-R269 IonicContact OD2-NE 3.23Å; D267-R269 PolarHBondContact OD2-NE 2.67Å; D267-R269 IonicContact OD2-NH2 3.73Å; D267-R269 PolarHBondContact OD2-NH2 3.32Å
268	R	41.2	Very low	43	Very low	240 Å²	240	133.7 Å²	133.7	91%	0.906	71%	0.709	S	S	*	*			trans	-72	56.8	-179.8	-72.5	-172.9	173	-171.7	-1.1	112.2	A266	A266-R268 VanDerWaalsContact C-N 3.34Å; A266-R268 PolarHBondContact O-N 2.81Å
269	R	40.3	Very low	44.9	Very low	182 Å²	182	131 Å²	131	69%	0.687	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-66.9	139.1	164.5	-49.1	-162.3	-168.7	-160.2	5.9	108.5	D267	D267-R269 VanDerWaalsContact CG-NE 3.3Å; D267-R269 PolarHBondContact O-N 3.05Å; D267-R269 WeakPolarHBondContact OD1-CG 3.36Å; D267-R269 IonicContact OD1-NE 2.65Å; D267-R269 PolarHBondContact OD1-NE 2.76Å; D267-R269 IonicContact OD2-CZ 2.93Å; D267-R269 IonicContact OD2-NE 3.23Å; D267-R269 PolarHBondContact OD2-NE 2.67Å; D267-R269 IonicContact OD2-NH2 3.73Å; D267-R269 PolarHBondContact OD2-NH2 3.32Å
270	P	45	Very low	47.2	Very low	106 Å²	106	124.6 Å²	124.6	69%	0.688	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-58.7	152.6	165.2	28.1	-34.2	0	0	0	109.2	R272	P270-R272 PolarHBondContact O-N 2.87Å
271	P	51.4	Low	50.1	Low	107 Å²	107	119.6 Å²	119.6	70%	0.695	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-53.7	133.6	172	24.4	-33.7	0	0	0	108.9	Q273	P271-Q273 PolarHBondContact O-N 3.5Å
272	R	57	Low	52.9	Low	205 Å²	205	122 Å²	122	77%	0.774	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-57.7	126.7	175.2	-71.1	-178.3	174.7	-174.5	-2.1	107.6	P270 W673	P270-R272 PolarHBondContact O-N 2.87Å; R272-W673 VanDerWaalsContact O-CH2 3.31Å; R272-W673 WeakPolarHBondContact O-CH2 3.49Å; R272-W673 WeakPolarHBondContact O-CZ3 3.47Å
273	Q	56.1	Low	55.8	Low	175 Å²	175	118.5 Å²	118.5	82%	0.818	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-63.1	148.8	168.2	-71.7	-178.7	-20	0	0	108.8	P271	P271-Q273 PolarHBondContact O-N 3.5Å
274	P	56.9	Low	58.9	Low	40 Å²	40	119.5 Å²	119.5	26%	0.26	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-57.2	143.1	176.9	25.8	-35.3	0	0	0	109.7	H276 W673	P274-H276 WeakPolarHBondContact CB-O 3.43Å; P274-H276 PolarHBondContact O-N 2.87Å; P274-W673 HydrophobicContact CB-CD2 4.09Å; P274-W673 HydrophobicContact CB-CG 4.01Å
275	P	56.8	Low	61.8	Low	107 Å²	107	117.1 Å²	117.1	70%	0.695	58%	0.583	S	S	*	*	S	Bend	trans	-62.1	-21.3	-171.4	23.5	-33.8	0	0	0	113.5
276	H	54.9	Low	64.7	Low	137 Å²	137	110.8 Å²	110.8	63%	0.634	55%	0.553	S	S	*	*	S	Bend	trans	-136.2	155	168.6	-59.7	-54.8	0	0	0	109.4	P274 V278	P274-H276 WeakPolarHBondContact CB-O 3.43Å; P274-H276 PolarHBondContact O-N 2.87Å; H276-V278 PolarHBondContact O-N 3.09Å
277	P	55.7	Low	67.3	Low	124 Å²	124	112.1 Å²	112.1	81%	0.805	55%	0.553	S	S	*	*			trans	-69.3	92.4	170.6	29.7	-34	0	0	0	109.8
278	V	61.4	Low	69.7	Low	30 Å²	30	109.4 Å²	109.4	18%	0.182	54%	0.542	C	S	.	.	P	Polyproline II helix	trans	-69	132.8	168.5	-172.7	0	0	0	0	107.7	H276 A280 V667	H276-V278 PolarHBondContact O-N 3.09Å; V278-A280 PolarHBondContact O-N 3.44Å; V278-V667 HydrophobicContact CG1-CB 4.12Å; V278-V667 HydrophobicContact CG1-CG1 4.39Å
279	N	68.8	Low	71.6	Confident	136 Å²	136	99.2 Å²	99.2	73%	0.727	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-67.8	133.5	174.2	-70.9	-37.9	0	0	0	109.4	V667	N279-V667 WeakPolarHBondContact O-CG1 3.46Å
280	A	77.6	Confident	72.9	Confident	44 Å²	44	97 Å²	97	36%	0.364	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-64.8	138.2	170.7	0	0	0	0	0	110.1	V278 Q282	V278-A280 PolarHBondContact O-N 3.44Å; A280-Q282 PolarHBondContact O-N 3.45Å; A280-Q282 VanDerWaalsContact O-N 3.16Å; A280-Q282 PolarHBondContact O-NE2 2.88Å
281	L	91	Very high	73.8	Confident	22 Å²	22	98.1 Å²	98.1	12%	0.115	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-62.6	116.4	-176.5	-171.8	70.5	0	0	0	110.6	R283 V659 E663 L664 V667 H675 L680	L281-R283 HydrophobicContact CG-CG 4.49Å; L281-R283 PolarHBondContact O-N 2.99Å; L281-V659 HydrophobicContact CD1-CG1 4.17Å; L281-V659 HydrophobicContact CD1-CG2 4.2Å; L281-V659 HydrophobicContact CD2-CG1 4.44Å; L281-V659 HydrophobicContact CD2-CG2 3.98Å; L281-V659 HydrophobicContact CG-CG1 4.3Å; L281-E663 HydrophobicContact CD1-CB 4.13Å; L281-L664 HydrophobicContact CD1-CD2 4.27Å; L281-L664 HydrophobicContact CD2-CD2 3.69Å; L281-V667 HydrophobicContact CB-CG1 4.39Å; L281-V667 HydrophobicContact CD1-CG1 4.23Å; L281-V667 HydrophobicContact CD1-CG2 4.28Å; L281-H675 VanDerWaalsContact CB-NE2 3.34Å; L281-H675 WeakPolarHBondContact CB-NE2 3.25Å; L281-L680 HydrophobicContact CD2-CD1 4.26Å; L281-L680 HydrophobicContact CD2-CD2 3.89Å
282	Q	89.4	Confident	74.2	Confident	153 Å²	153	98.3 Å²	98.3	72%	0.715	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-82.4	121.3	-178.1	-61.3	-56	-64.3	0	0	110.8	A280	A280-Q282 PolarHBondContact O-N 3.45Å; A280-Q282 VanDerWaalsContact O-N 3.16Å; A280-Q282 PolarHBondContact O-NE2 2.88Å
283	R	94.5	Very high	74.3	Confident	40 Å²	40	94 Å²	94	15%	0.151	50%	0.501	C	S	.	.			trans	-128	144	175.2	-60.6	179	65.5	-164.8	0	108.8	L281 L656 S657 V659 P681	L281-R283 HydrophobicContact CG-CG 4.49Å; L281-R283 PolarHBondContact O-N 2.99Å; R283-L656 HydrophobicContact CB-CD1 3.93Å; R283-L656 HydrophobicContact CB-CG 4.17Å; R283-S657 VanDerWaalsContact CZ-O 3.29Å; R283-S657 PolarHBondContact NE-O 3.19Å; R283-S657 PolarHBondContact NH2-O 2.64Å; R283-V659 HydrophobicContact CG-CG1 4.38Å; R283-P681 VanDerWaalsContact CZ-O 3.31Å; R283-P681 PolarHBondContact NH1-O 2.76Å; R283-P681 PolarHBondContact NH2-O 3.22Å
284	Y	94.5	Very high	74.3	Confident	129 Å²	129	88.1 Å²	88.1	51%	0.506	48%	0.477	S	S	.	.			trans	-134.2	159.6	-172.4	57.6	-92.2	0	0	0	111.1	E286 S657	Y284-E286 HydrophobicContact CD2-CG 3.98Å; Y284-E286 HydrophobicContact CE2-CG 3.43Å; Y284-E286 VanDerWaalsContact CE2-CG 3.43Å; Y284-E286 WeakPolarHBondContact CE2-OE1 3.44Å; Y284-E286 PolarHBondContact OH-OE1 2.86Å; Y284-S657 WeakPolarHBondContact CD1-OG 3.36Å; Y284-S657 WeakPolarHBondContact CE1-OG 3.34Å; Y284-S657 PolarHBondContact N-OG 2.88Å; Y284-S657 PolarHBondContact O-N 2.89Å; Y284-S657 PolarHBondContact O-OG 3.11Å
285	W	96.4	Very high	73.9	Confident	118 Å²	118	92.6 Å²	92.6	45%	0.447	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	123	176.1	-80.9	97	0	0	0	111	R655 L683 R685	W285-R655 WeakPolarHBondContact CA-O 3.39Å; W285-L683 HydrophobicContact CH2-CD1 4.44Å; W285-L683 HydrophobicContact CH2-CD2 3.91Å; W285-L683 HydrophobicContact CH2-CG 3.67Å; W285-L683 HydrophobicContact CZ2-CD2 3.52Å; W285-L683 HydrophobicContact CZ2-CG 3.85Å; W285-R685 HydrophobicContact CH2-CG 3.67Å; W285-R685 HydrophobicContact CZ3-CG 3.67Å
286	E	94.7	Very high	73.5	Confident	38 Å²	38	90.6 Å²	90.6	18%	0.178	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	129.1	171	-71.9	176.5	173.5	0	0	109.9	Y284 G654 R655 S657	Y284-E286 HydrophobicContact CD2-CG 3.98Å; Y284-E286 HydrophobicContact CE2-CG 3.43Å; Y284-E286 VanDerWaalsContact CE2-CG 3.43Å; Y284-E286 WeakPolarHBondContact CE2-OE1 3.44Å; Y284-E286 PolarHBondContact OH-OE1 2.86Å; E286-G654 CarbonylContact O-C 3.29Å; E286-G654 WeakPolarHBondContact O-CA 3.48Å; E286-R655 HydrophobicContact CB-CG 4.04Å; E286-R655 PolarHBondContact N-O 3.45Å; E286-R655 PolarHBondContact O-N 3.13Å; E286-R655 IonicContact OE2-CZ 2.82Å; E286-R655 IonicContact OE2-NE 3.77Å; E286-R655 PolarHBondContact OE2-NE 3.24Å; E286-R655 IonicContact OE2-NH2 2.76Å; E286-R655 PolarHBondContact OE2-NH2 2.99Å; E286-S657 WeakPolarHBondContact OE1-CB 3.35Å
287	T	93.1	Very high	73.4	Confident	111 Å²	111	88.1 Å²	88.1	68%	0.681	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	124.2	170.1	-56.9	0	0	0	0	109.3	S289 T290	T287-S289 VanDerWaalsContact CG2-O 3.23Å; T287-S289 WeakPolarHBondContact CG2-O 3.26Å; T287-T290 HydrophobicContact CG2-CG2 4.49Å
288	C	87.9	Confident	73.4	Confident	54 Å²	54	84.9 Å²	84.9	37%	0.365	50%	0.497	S	S	.	.			trans	-105.7	-21	-178.6	-61.7	0	0	0	0	113.6	L652 L653	C288-L652 HydrophobicContact CB-CD2 3.86Å; C288-L652 HydrophobicContact CB-CG 3.76Å; C288-L653 PolarHBondContact N-O 3.41Å
289	S	81.2	Confident	73.6	Confident	25 Å²	25	90 Å²	90	18%	0.175	51%	0.513	C	S	.	.			trans	-129.3	133.5	169.9	179.8	0	0	0	0	110.4	T287 E291 Q651 L652 L653	T287-S289 VanDerWaalsContact CG2-O 3.23Å; T287-S289 WeakPolarHBondContact CG2-O 3.26Å; S289-E291 PolarHBondContact OG-N 3.35Å; S289-Q651 PolarHBondContact OG-NE2 2.9Å; S289-Q651 VanDerWaalsContact OG-NE2 3.14Å; S289-L652 WeakPolarHBondContact CB-O 3.41Å; S289-L653 PolarHBondContact N-O 3.15Å
290	T	65.9	Low	74	Confident	137 Å²	137	85.3 Å²	85.3	84%	0.84	49%	0.489	S	S	*	.			trans	-100.4	7.1	171.1	54.5	0	0	0	0	112.5	T287	T287-T290 HydrophobicContact CG2-CG2 4.49Å
291	E	65	Low	74.5	Confident	128 Å²	128	83.8 Å²	83.8	60%	0.598	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-67.4	131.8	-180	-66.2	-168.8	151.1	0	0	111.1	S289 Q651	S289-E291 PolarHBondContact OG-N 3.35Å; E291-Q651 PolarHBondContact OE2-NE2 3.17Å
292	P	58.7	Low	74.5	Confident	111 Å²	111	84.7 Å²	84.7	72%	0.721	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-64.1	157.4	174.8	29.4	-35	0	0	0	110.2
293	Q	58.9	Low	74.8	Confident	116 Å²	116	77.4 Å²	77.4	54%	0.542	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-58.5	141.7	166.8	-77.1	-172.4	-12.9	0	0	109.9	V300	Q293-V300 HydrophobicContact CG-CG2 4.43Å
294	P	58.1	Low	75	Confident	50 Å²	50	76.2 Å²	76.2	33%	0.325	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-57.3	129.1	-177.6	22.3	-33	0	0	0	110.3	G296 V300 P690	P294-G296 PolarHBondContact O-N 3.25Å; P294-G296 VanDerWaalsContact O-N 3.13Å; P294-V300 HydrophobicContact CG-CG1 3.89Å; P294-P690 HydrophobicContact CG-CG 4.22Å
295	P	46.8	Very low	75.2	Confident	134 Å²	134	70.1 Å²	70.1	87%	0.87	42%	0.419	S	S	*	.	S	Bend	trans	-71.2	111.7	-168.6	26.4	-34.3	0	0	0	112.1
296	G	49.3	Very low	75.4	Confident	65 Å²	65	64.5 Å²	64.5	67%	0.67	40%	0.398	S	S	*	.	S	Bend	trans	104.9	107	167.6	0	0	0	0	0	114.6	P294 S298	P294-G296 PolarHBondContact O-N 3.25Å; P294-G296 VanDerWaalsContact O-N 3.13Å; G296-S298 PolarHBondContact O-N 2.57Å
297	G	52.9	Low	75.6	Confident	85 Å²	85	62.7 Å²	62.7	88%	0.876	39%	0.389	S	S	*	.	S	Bend	trans	66.1	-17.8	159.9	0	0	0	0	0	118.7
298	S	56.1	Low	75.8	Confident	56 Å²	56	57.4 Å²	57.4	39%	0.392	36%	0.357	S	S	.	.			trans	-76.2	132.4	-166.6	-130.6	0	0	0	0	112.9	G296 V300 P690	G296-S298 PolarHBondContact O-N 2.57Å; S298-V300 PolarHBondContact O-N 2.72Å; S298-P690 WeakPolarHBondContact OG-CB 3.29Å
299	R	64.9	Low	76.4	Confident	139 Å²	139	54.9 Å²	54.9	53%	0.525	34%	0.34	S	S	.	.			trans	-82	88.3	-168.1	-67.3	-178.5	174.7	-153.9	-1	111.6	F693	R299-F693 WeakPolarHBondContact O-CD2 3.22Å; R299-F693 VanDerWaalsContact O-CE2 3.3Å; R299-F693 WeakPolarHBondContact O-CE2 3.43Å
300	V	77.5	Confident	77.2	Confident	36 Å²	36	54 Å²	54	22%	0.218	33%	0.333	C	S	.	.			trans	-76.1	142.8	166.6	-63.7	0	0	0	0	110.9	Q293 P294 S298 R687	Q293-V300 HydrophobicContact CG-CG2 4.43Å; P294-V300 HydrophobicContact CG-CG1 3.89Å; S298-V300 PolarHBondContact O-N 2.72Å; V300-R687 HydrophobicContact CB-CG 4.2Å; V300-R687 HydrophobicContact CG1-CG 4.41Å
301	F	87.1	Confident	78.8	Confident	12 Å²	12	47.5 Å²	47.5	5%	0.053	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	98.8	173.3	-179.9	-91.1	0	0	0	109.6	F303 R398 F399 P430 T432 L688 F693	F301-F303 HydrophobicContact CD1-CB 4.36Å; F301-F303 AromaticContact CD1-CD1 3.64Å; F301-F303 HydrophobicContact CD1-CD1 3.64Å; F301-F303 HydrophobicContact CD1-CE1 4.35Å; F301-F303 HydrophobicContact CD1-CG 4.31Å; F301-F303 HydrophobicContact CE1-CB 3.75Å; F301-F303 AromaticContact CE1-CD1 3.65Å; F301-F303 HydrophobicContact CE1-CD1 3.65Å; F301-F303 AromaticContact CE1-CG 3.88Å; F301-F303 HydrophobicContact CE1-CG 3.88Å; F301-F303 HydrophobicContact CZ-CB 4.38Å; F301-R398 VanDerWaalsContact CE2-NH1 3.29Å; F301-F399 AromaticContact CE1-CE1 3.58Å; F301-F399 HydrophobicContact CE1-CE1 3.58Å; F301-F399 AromaticContact CE1-CZ 3.55Å; F301-F399 HydrophobicContact CE1-CZ 3.55Å; F301-F399 HydrophobicContact CZ-CD1 4.42Å; F301-F399 AromaticContact CZ-CE1 3.8Å; F301-F399 HydrophobicContact CZ-CE1 3.8Å; F301-F399 HydrophobicContact CZ-CE2 4.39Å; F301-F399 AromaticContact CZ-CZ 3.79Å; F301-F399 HydrophobicContact CZ-CZ 3.79Å; F301-P430 HydrophobicContact CD1-CB 4Å; F301-P430 HydrophobicContact CD1-CG 4.24Å; F301-P430 HydrophobicContact CD2-CB 3.94Å; F301-P430 HydrophobicContact CE1-CB 3.86Å; F301-P430 HydrophobicContact CE1-CG 4.18Å; F301-P430 HydrophobicContact CE2-CB 3.78Å; F301-P430 HydrophobicContact CG-CB 4.06Å; F301-P430 HydrophobicContact CZ-CB 3.74Å; F301-T432 HydrophobicContact CD2-CG2 3.99Å; F301-L688 HydrophobicContact CB-CB 4.31Å; F301-L688 PolarHBondContact N-O 2.69Å; F301-L688 VanDerWaalsContact N-O 3.17Å; F301-L688 PolarHBondContact O-N 3.38Å; F301-F693 HydrophobicContact CB-CE2 4.03Å; F301-F693 HydrophobicContact CB-CZ 3.78Å
302	D	91.8	Very high	80.4	Confident	41 Å²	41	41.5 Å²	41.5	22%	0.219	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	134.4	177.4	-64.7	5.8	0	0	0	109.3	R398 L653 F686 R687	D302-R398 PolarHBondContact O-NH2 2.96Å; D302-L653 HydrophobicContact CB-CD1 4.18Å; D302-L653 WeakPolarHBondContact OD2-CD1 3.35Å; D302-F686 CarbonylContact C-O 3.57Å; D302-F686 VanDerWaalsContact CA-O 3.25Å; D302-F686 WeakPolarHBondContact CA-O 3.26Å; D302-R687 WeakPolarHBondContact OD1-CB 3.15Å; D302-R687 VanDerWaalsContact OD1-CG 3.3Å; D302-R687 WeakPolarHBondContact OD1-CG 3.28Å; D302-R687 IonicContact OD1-CZ 3.73Å; D302-R687 IonicContact OD1-NE 3.47Å; D302-R687 PolarHBondContact OD1-NE 3.11Å; D302-R687 IonicContact OD1-NH2 2.75Å; D302-R687 PolarHBondContact OD1-NH2 3.36Å; D302-R687 IonicContact OD2-CZ 3.71Å; D302-R687 IonicContact OD2-NE 2.88Å; D302-R687 IonicContact OD2-NH2 2.72Å; D302-R687 PolarHBondContact OD2-NH2 2.97Å
303	F	96	Very high	82.3	Confident	1 Å²	1	37 Å²	37	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	162.8	-177.5	66.4	-80	0	0	0	112.2	F301 V305 D350 I351 F399 I443 I486 L650 R685 F686	F301-F303 HydrophobicContact CD1-CB 4.36Å; F301-F303 AromaticContact CD1-CD1 3.64Å; F301-F303 HydrophobicContact CD1-CD1 3.64Å; F301-F303 HydrophobicContact CD1-CE1 4.35Å; F301-F303 HydrophobicContact CD1-CG 4.31Å; F301-F303 HydrophobicContact CE1-CB 3.75Å; F301-F303 AromaticContact CE1-CD1 3.65Å; F301-F303 HydrophobicContact CE1-CD1 3.65Å; F301-F303 AromaticContact CE1-CG 3.88Å; F301-F303 HydrophobicContact CE1-CG 3.88Å; F301-F303 HydrophobicContact CZ-CB 4.38Å; F303-V305 HydrophobicContact CD2-CG2 3.9Å; F303-V305 HydrophobicContact CE2-CG2 3.63Å; F303-D350 WeakPolarHBondContact CA-OD2 3.38Å; F303-D350 HydrophobicContact CB-CB 4.28Å; F303-D350 WeakPolarHBondContact CB-OD2 3.47Å; F303-I351 HydrophobicContact CD2-CD1 4.09Å; F303-I351 HydrophobicContact CE2-CD1 4.1Å; F303-F399 HydrophobicContact CB-CZ 4.09Å; F303-F399 AromaticContact CD2-CZ 3.88Å; F303-F399 HydrophobicContact CD2-CZ 3.88Å; F303-F399 HydrophobicContact CE2-CZ 4.49Å; F303-F399 AromaticContact CG-CZ 3.97Å; F303-F399 HydrophobicContact CG-CZ 3.97Å; F303-I443 HydrophobicContact CD1-CD1 4.46Å; F303-I443 HydrophobicContact CE1-CD1 3.68Å; F303-I443 HydrophobicContact CE2-CD1 4.19Å; F303-I443 HydrophobicContact CZ-CD1 3.52Å; F303-I486 HydrophobicContact CE2-CD1 3.67Å; F303-I486 HydrophobicContact CZ-CD1 3.84Å; F303-L650 HydrophobicContact CE1-CD2 3.94Å; F303-L650 HydrophobicContact CZ-CD1 4.13Å; F303-L650 HydrophobicContact CZ-CD2 3.96Å; F303-R685 CarbonylContact O-C 3.41Å; F303-R685 VanDerWaalsContact O-CA 3.32Å; F303-R685 WeakPolarHBondContact O-CA 3.47Å; F303-F686 HydrophobicContact CE1-CB 4.44Å; F303-F686 HydrophobicContact CE2-CD2 4.11Å; F303-F686 HydrophobicContact CZ-CB 4.42Å; F303-F686 HydrophobicContact CZ-CD2 4.05Å; F303-F686 PolarHBondContact N-O 2.97Å; F303-F686 WeakPolarHBondContact O-CA 3.24Å; F303-F686 PolarHBondContact O-N 2.65Å
304	S	98.7	Very high	84.2	Confident	15 Å²	15	34.4 Å²	34.4	11%	0.105	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	149.1	179.8	41.3	0	0	0	0	113.4	A349 D350 I351 V684	S304-A349 WeakPolarHBondContact OG-CA 3.12Å; S304-D350 PolarHBondContact N-OD2 2.88Å; S304-D350 PolarHBondContact O-N 3.06Å; S304-D350 VanDerWaalsContact O-N 3.13Å; S304-D350 PolarHBondContact OG-N 2.85Å; S304-I351 PolarHBondContact O-N 2.86Å; S304-V684 CarbonylContact C-O 3.44Å; S304-V684 VanDerWaalsContact CA-O 3.24Å; S304-V684 WeakPolarHBondContact CA-O 3.22Å
305	V	98.9	Very high	86.1	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	129.3	177.9	-172.8	0	0	0	0	110.4	F303 I351 I486 I632 L683 V684 F686	F303-V305 HydrophobicContact CD2-CG2 3.9Å; F303-V305 HydrophobicContact CE2-CG2 3.63Å; V305-I351 CarbonylContact C-O 3.47Å; V305-I351 WeakPolarHBondContact CA-O 3.46Å; V305-I351 HydrophobicContact CG1-CB 4.36Å; V305-I351 HydrophobicContact CG1-CG2 4.36Å; V305-I351 HydrophobicContact CG2-CB 4.31Å; V305-I351 HydrophobicContact CG2-CD1 4.26Å; V305-I486 HydrophobicContact CG1-CG2 4.41Å; V305-I486 HydrophobicContact CG2-CD1 3.97Å; V305-I632 HydrophobicContact CG1-CD1 4.5Å; V305-L683 WeakPolarHBondContact O-CA 3.08Å; V305-V684 HydrophobicContact CB-CG2 3.93Å; V305-V684 PolarHBondContact N-O 3.35Å; V305-V684 PolarHBondContact O-N 2.91Å; V305-F686 HydrophobicContact CB-CE2 4.42Å; V305-F686 HydrophobicContact CG2-CD2 4.2Å; V305-F686 HydrophobicContact CG2-CE2 3.98Å
306	M	98.9	Very high	88.5	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	143	169.7	-175	-179.4	-76.6	0	0	110.8	Y308 I344 H347 A349 I351 L352 C353 P681 L682 L683	M306-Y308 HydrophobicContact SD-CD1 4.16Å; M306-I344 HydrophobicContact SD-CG1 4.15Å; M306-H347 HydrophobicContact CE-CB 3.56Å; M306-A349 HydrophobicContact CB-CB 3.88Å; M306-I351 PolarHBondContact N-O 2.87Å; M306-L352 HydrophobicContact CB-CD2 3.84Å; M306-L352 HydrophobicContact SD-CD2 4.24Å; M306-C353 PolarHBondContact O-N 3.36Å; M306-P681 HydrophobicContact CE-CB 4.19Å; M306-P681 HydrophobicContact CG-CB 4.11Å; M306-P681 HydrophobicContact SD-CB 4.02Å; M306-L682 CarbonylContact C-O 3.51Å; M306-L682 WeakPolarHBondContact CA-O 3.23Å; M306-L682 WeakPolarHBondContact CG-O 3.25Å; M306-L683 HydrophobicContact CB-CD1 4.14Å
307	S	98.9	Very high	90.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127.8	162.4	-170.7	0	0	0	0	109.5	C353 Q355 G489 L682	S307-C353 VanDerWaalsContact CA-O 3.27Å; S307-C353 WeakPolarHBondContact CA-O 3.45Å; S307-Q355 PolarHBondContact OG-NE2 3.06Å; S307-G489 PolarHBondContact OG-N 2.91Å; S307-L682 PolarHBondContact N-O 2.8Å; S307-L682 PolarHBondContact O-N 3.49Å
308	Y	98.9	Very high	93	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	115.2	-171.4	-166	-174.5	0	0	0	112.5	M306 I310 L340 E343 C353 L354 Q355 H679 P681	M306-Y308 HydrophobicContact SD-CD1 4.16Å; Y308-I310 HydrophobicContact CD1-CG2 4.03Å; Y308-I310 HydrophobicContact CE1-CG2 4.49Å; Y308-I310 HydrophobicContact CG-CG2 4.06Å; Y308-I310 PolarHBondContact O-N 2.84Å; Y308-L340 HydrophobicContact CE1-CD2 3.81Å; Y308-E343 VanDerWaalsContact CE1-OE2 3.27Å; Y308-E343 WeakPolarHBondContact CE1-OE2 3.3Å; Y308-E343 VanDerWaalsContact CZ-OE2 3.28Å; Y308-E343 PolarHBondContact OH-OE2 2.87Å; Y308-C353 PolarHBondContact N-O 3.07Å; Y308-L354 VanDerWaalsContact O-CA 3.31Å; Y308-L354 WeakPolarHBondContact O-CA 3.33Å; Y308-Q355 PolarHBondContact O-N 3.47Å; Y308-Q355 PolarHBondContact O-OE1 3.33Å; Y308-H679 WeakPolarHBondContact CE2-O 3.13Å; Y308-P681 HydrophobicContact CD1-CB 3.74Å; Y308-P681 HydrophobicContact CD1-CG 4.27Å; Y308-P681 HydrophobicContact CD2-CB 4.12Å; Y308-P681 HydrophobicContact CE1-CB 4.05Å; Y308-P681 HydrophobicContact CE1-CG 4.05Å; Y308-P681 HydrophobicContact CE2-CB 4.43Å; Y308-P681 HydrophobicContact CE2-CG 4.48Å; Y308-P681 HydrophobicContact CG-CB 3.76Å
309	N	98.9	Very high	95	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	118.7	162.3	-177.1	-7	0	0	0	107.8	L311 Q355 E356 S677 H679	N309-L311 PolarHBondContact OD1-N 3.13Å; N309-L311 VanDerWaalsContact OD1-N 3.09Å; N309-Q355 HydrophobicContact CB-CB 4.04Å; N309-Q355 PolarHBondContact OD1-O 2.88Å; N309-E356 PolarHBondContact ND2-OE1 3.34Å; N309-E356 VanDerWaalsContact OD1-CB 3.24Å; N309-E356 WeakPolarHBondContact OD1-CB 3.21Å; N309-E356 VanDerWaalsContact OD1-CD 3.31Å; N309-E356 WeakPolarHBondContact OD1-CG 3.31Å; N309-S677 WeakPolarHBondContact O-CB 3.27Å; N309-S677 PolarHBondContact O-OG 3.05Å; N309-H679 HydrophobicContact CB-CB 4.03Å; N309-H679 PolarHBondContact ND2-NE2 2.92Å
310	I	98.8	Very high	96.5	Very high	6 Å²	6	27 Å²	27	3%	0.031	15%	0.149	C	C	.	.			trans	-95.4	4.5	-174.4	67.4	169.1	0	0	0	113.8	Y308 R336 L340 L354 Q355 V357 I366	Y308-I310 HydrophobicContact CD1-CG2 4.03Å; Y308-I310 HydrophobicContact CE1-CG2 4.49Å; Y308-I310 HydrophobicContact CG-CG2 4.06Å; Y308-I310 PolarHBondContact O-N 2.84Å; I310-R336 PolarHBondContact O-NH1 2.85Å; I310-L340 HydrophobicContact CB-CD1 4.24Å; I310-L340 HydrophobicContact CB-CD2 4.26Å; I310-L340 HydrophobicContact CG2-CD2 4.37Å; I310-L354 HydrophobicContact CG2-CD2 4.2Å; I310-Q355 WeakPolarHBondContact CG1-O 3.45Å; I310-Q355 PolarHBondContact N-O 3.17Å; I310-V357 HydrophobicContact CD1-CB 4.46Å; I310-V357 HydrophobicContact CD1-CG1 4.31Å; I310-V357 HydrophobicContact CD1-CG2 4.14Å; I310-V357 HydrophobicContact CG1-CG2 4.44Å; I310-I366 HydrophobicContact CD1-CD1 3.92Å
311	L	98.8	Very high	97.4	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.157	C	C	.	.			trans	57.7	107.1	-178	177.9	60.9	0	0	0	112.8	N309 L316 Y323 R336 P671 D678	N309-L311 PolarHBondContact OD1-N 3.13Å; N309-L311 VanDerWaalsContact OD1-N 3.09Å; L311-L316 HydrophobicContact CD1-CB 4.05Å; L311-L316 HydrophobicContact CD2-CB 4.26Å; L311-L316 HydrophobicContact CD2-CD1 3.69Å; L311-L316 HydrophobicContact CD2-CG 3.94Å; L311-L316 HydrophobicContact CG-CB 4.06Å; L311-L316 HydrophobicContact CG-CD1 4.14Å; L311-L316 HydrophobicContact CG-CG 4.3Å; L311-Y323 HydrophobicContact CD1-CE2 4.46Å; L311-Y323 HydrophobicContact CD2-CE1 4.3Å; L311-R336 PolarHBondContact O-NH1 2.89Å; L311-R336 PolarHBondContact O-NH2 3.44Å; L311-P671 HydrophobicContact CD2-CG 3.74Å; L311-D678 HydrophobicContact CD2-CB 4.33Å
312	S	98.7	Very high	97.9	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.021	16%	0.158	C	C	.	.			trans	-63.9	140.8	177.1	152.2	0	0	0	0	110.2	D314 L315 L316 E356 Q358	S312-D314 PolarHBondContact OG-N 2.95Å; S312-L315 PolarHBondContact O-N 3.26Å; S312-L315 PolarHBondContact OG-N 3.02Å; S312-L316 VanDerWaalsContact O-CB 3.25Å; S312-L316 WeakPolarHBondContact O-CB 3.48Å; S312-L316 PolarHBondContact O-N 2.96Å; S312-E356 WeakPolarHBondContact CB-O 3.45Å; S312-E356 PolarHBondContact N-OE2 2.94Å; S312-Q358 PolarHBondContact OG-OE1 2.96Å
313	Q	98.7	Very high	98.2	Very high	15 Å²	15	28.7 Å²	28.7	7%	0.07	15%	0.15	C	C	.	.	H	α-helix	trans	-67.1	-39.6	-179.9	-167.7	62.6	37.4	0	0	112.1	L316 Q317 L331 W333 R336	Q313-L316 WeakPolarHBondContact O-CB 3.26Å; Q313-L316 PolarHBondContact O-N 3.46Å; Q313-Q317 WeakPolarHBondContact O-CB 3.24Å; Q313-Q317 VanDerWaalsContact O-CG 3.31Å; Q313-Q317 WeakPolarHBondContact O-CG 3.42Å; Q313-Q317 PolarHBondContact O-N 3.07Å; Q313-L331 PolarHBondContact NE2-O 2.86Å; Q313-L331 PolarHBondContact OE1-O 2.64Å; Q313-W333 HydrophobicContact CB-CB 4.34Å; Q313-W333 HydrophobicContact CG-CB 3.92Å; Q313-R336 VanDerWaalsContact OE1-NE 3.07Å
314	D	98.5	Very high	98.2	Very high	63 Å²	63	38.4 Å²	38.4	34%	0.337	19%	0.186	S	C	.	.	H	α-helix	trans	-62	-46.3	173.1	-71.2	19.8	0	0	0	110.6	S312 L316 Q317 D318 Q358 P387	S312-D314 PolarHBondContact OG-N 2.95Å; D314-L316 PolarHBondContact O-N 3.07Å; D314-Q317 PolarHBondContact O-N 2.93Å; D314-D318 WeakPolarHBondContact O-CB 3.49Å; D314-D318 PolarHBondContact O-N 3.26Å; D314-Q358 PolarHBondContact OD1-NE2 3.45Å; D314-Q358 PolarHBondContact OD1-OE1 2.8Å; D314-P387 HydrophobicContact CB-CB 4.27Å; D314-P387 HydrophobicContact CB-CG 3.67Å; D314-P387 VanDerWaalsContact OD2-CB 3.3Å; D314-P387 WeakPolarHBondContact OD2-CB 3.29Å
315	L	98.2	Very high	98	Very high	17 Å²	17	40.7 Å²	40.7	9%	0.089	20%	0.195	C	C	.	.	H	α-helix	trans	-67.5	-35.3	179	-63.6	-174.5	0	0	0	112.3	S312 N319 E356 D388	S312-L315 PolarHBondContact O-N 3.26Å; S312-L315 PolarHBondContact OG-N 3.02Å; L315-N319 WeakPolarHBondContact O-CB 3.31Å; L315-N319 PolarHBondContact O-N 2.76Å; L315-N319 PolarHBondContact O-ND2 2.85Å; L315-E356 HydrophobicContact CD1-CG 4.07Å; L315-E356 WeakPolarHBondContact CD1-OE2 3.3Å; L315-D388 HydrophobicContact CD1-CB 4.33Å
316	L	98.4	Very high	97.9	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-59	-47.9	170.9	-170	172	0	0	0	110.4	L311 S312 Q313 D314 N319 A320 Y323 L331	L311-L316 HydrophobicContact CD1-CB 4.05Å; L311-L316 HydrophobicContact CD2-CB 4.26Å; L311-L316 HydrophobicContact CD2-CD1 3.69Å; L311-L316 HydrophobicContact CD2-CG 3.94Å; L311-L316 HydrophobicContact CG-CB 4.06Å; L311-L316 HydrophobicContact CG-CD1 4.14Å; L311-L316 HydrophobicContact CG-CG 4.3Å; S312-L316 VanDerWaalsContact O-CB 3.25Å; S312-L316 WeakPolarHBondContact O-CB 3.48Å; S312-L316 PolarHBondContact O-N 2.96Å; Q313-L316 WeakPolarHBondContact O-CB 3.26Å; Q313-L316 PolarHBondContact O-N 3.46Å; D314-L316 PolarHBondContact O-N 3.07Å; L316-N319 CarbonylContact O-C 3.56Å; L316-N319 VanDerWaalsContact O-C 3.29Å; L316-N319 PolarHBondContact O-N 2.87Å; L316-A320 WeakPolarHBondContact O-CA 3.37Å; L316-A320 PolarHBondContact O-N 3.1Å; L316-Y323 HydrophobicContact CB-CE2 4.34Å; L316-Y323 HydrophobicContact CD2-CD2 3.95Å; L316-Y323 HydrophobicContact CG-CD2 3.86Å; L316-Y323 HydrophobicContact CG-CE2 4Å; L316-L331 HydrophobicContact CD1-CB 4.41Å; L316-L331 HydrophobicContact CD1-CD2 4.25Å; L316-L331 HydrophobicContact CD2-CB 4.15Å; L316-L331 HydrophobicContact CD2-CD1 4.34Å; L316-L331 HydrophobicContact CD2-CD2 4.32Å
317	Q	98.1	Very high	97.7	Very high	125 Å²	125	44.5 Å²	44.5	58%	0.584	22%	0.217	S	C	*	.	H	α-helix	trans	-68.2	-47.6	-179.9	-72.4	175.1	2.4	0	0	112.5	Q313 D314 N319 A320	Q313-Q317 WeakPolarHBondContact O-CB 3.24Å; Q313-Q317 VanDerWaalsContact O-CG 3.31Å; Q313-Q317 WeakPolarHBondContact O-CG 3.42Å; Q313-Q317 PolarHBondContact O-N 3.07Å; D314-Q317 PolarHBondContact O-N 2.93Å; Q317-N319 PolarHBondContact O-N 2.97Å; Q317-A320 WeakPolarHBondContact O-CB 3.4Å; Q317-A320 PolarHBondContact O-N 3.17Å
318	D	97.8	Very high	97.5	Very high	120 Å²	120	49.5 Å²	49.5	64%	0.642	25%	0.249	S	C	*	.	H	α-helix	trans	-53.7	-35.5	173.4	-98.5	0.9	0	0	0	111.5	D314	D314-D318 WeakPolarHBondContact O-CB 3.49Å; D314-D318 PolarHBondContact O-N 3.26Å
319	N	97.5	Very high	97.3	Very high	54 Å²	54	51.7 Å²	51.7	29%	0.289	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	27.4	-175.6	-58.3	-83.9	0	0	0	113.3	L315 L316 Q317 Y321 L322	L315-N319 WeakPolarHBondContact O-CB 3.31Å; L315-N319 PolarHBondContact O-N 2.76Å; L315-N319 PolarHBondContact O-ND2 2.85Å; L316-N319 CarbonylContact O-C 3.56Å; L316-N319 VanDerWaalsContact O-C 3.29Å; L316-N319 PolarHBondContact O-N 2.87Å; Q317-N319 PolarHBondContact O-N 2.97Å; N319-Y321 HydrophobicContact CB-CE1 4.11Å; N319-Y321 PolarHBondContact O-N 2.8Å; N319-L322 HydrophobicContact CB-CD1 3.88Å; N319-L322 HydrophobicContact CB-CG 4.18Å; N319-L322 WeakPolarHBondContact O-CB 3.2Å; N319-L322 WeakPolarHBondContact O-CG 3.24Å; N319-L322 PolarHBondContact O-N 2.8Å
320	A	97.1	Very high	97.3	Very high	52 Å²	52	51.8 Å²	51.8	43%	0.43	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-54.9	-15.9	-175.8	0	0	0	0	0	115.1	L316 Q317 L322 Y323	L316-A320 WeakPolarHBondContact O-CA 3.37Å; L316-A320 PolarHBondContact O-N 3.1Å; Q317-A320 WeakPolarHBondContact O-CB 3.4Å; Q317-A320 PolarHBondContact O-N 3.17Å; A320-L322 PolarHBondContact O-N 3.43Å; A320-Y323 PolarHBondContact O-N 3.11Å
321	Y	96.9	Very high	97.2	Very high	101 Å²	101	52.7 Å²	52.7	40%	0.396	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-66.6	-15.4	171.1	75.6	-88	0	0	0	114.5	N319	N319-Y321 HydrophobicContact CB-CE1 4.11Å; N319-Y321 PolarHBondContact O-N 2.8Å
322	L	97.4	Very high	97.2	Very high	12 Å²	12	55 Å²	55	6%	0.063	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-82.6	-22.6	174.5	-60.9	-174.9	0	0	0	113.3	N319 A320 H325 S623 R624	N319-L322 HydrophobicContact CB-CD1 3.88Å; N319-L322 HydrophobicContact CB-CG 4.18Å; N319-L322 WeakPolarHBondContact O-CB 3.2Å; N319-L322 WeakPolarHBondContact O-CG 3.24Å; N319-L322 PolarHBondContact O-N 2.8Å; A320-L322 PolarHBondContact O-N 3.43Å; L322-H325 PolarHBondContact O-ND1 3.16Å; L322-S623 WeakPolarHBondContact O-CB 3.19Å; L322-S623 PolarHBondContact O-N 2.74Å; L322-S623 PolarHBondContact O-OG 3.01Å; L322-S623 VanDerWaalsContact O-OG 3.07Å; L322-R624 HydrophobicContact CD2-CB 4.02Å; L322-R624 HydrophobicContact CD2-CG 3.52Å
323	Y	97.9	Very high	97.2	Very high	12 Å²	12	55.7 Å²	55.7	5%	0.047	29%	0.291	C	S	.	.			trans	-114.3	18.1	-169.9	-47.7	-60.8	0	0	0	112.8	L311 L316 A320 H325 C326 L331 H622 D678	L311-Y323 HydrophobicContact CD1-CE2 4.46Å; L311-Y323 HydrophobicContact CD2-CE1 4.3Å; L316-Y323 HydrophobicContact CB-CE2 4.34Å; L316-Y323 HydrophobicContact CD2-CD2 3.95Å; L316-Y323 HydrophobicContact CG-CD2 3.86Å; L316-Y323 HydrophobicContact CG-CE2 4Å; A320-Y323 PolarHBondContact O-N 3.11Å; Y323-H325 PolarHBondContact O-N 3.41Å; Y323-C326 WeakPolarHBondContact O-CB 3.32Å; Y323-C326 PolarHBondContact O-N 3.31Å; Y323-C326 VanDerWaalsContact O-N 3.08Å; Y323-C326 PolarHBondContact O-SG 3.35Å; Y323-L331 HydrophobicContact CG-CD2 4.44Å; Y323-H622 HydrophobicContact CD1-CB 4.36Å; Y323-H622 HydrophobicContact CE1-CB 4.01Å; Y323-D678 HydrophobicContact CE1-CB 3.78Å; Y323-D678 PolarHBondContact OH-OD2 2.88Å; Y323-D678 VanDerWaalsContact OH-OD2 3.06Å
324	R	95.6	Very high	97.1	Very high	205 Å²	205	60.1 Å²	60.1	77%	0.774	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-8.3	177.7	-67.4	-179.6	175.6	179.2	1	114.7
325	H	94.9	Very high	97.1	Very high	62 Å²	62	59.7 Å²	59.7	29%	0.287	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-15.7	178.1	67.9	-81.6	0	0	0	112.8	L322 Y323 S623 H668 L670	L322-H325 PolarHBondContact O-ND1 3.16Å; Y323-H325 PolarHBondContact O-N 3.41Å; H325-S623 PolarHBondContact ND1-OG 3.23Å; H325-H668 PolarHBondContact CD2-O 2.97Å; H325-H668 VanDerWaalsContact CD2-O 3.22Å; H325-L670 PolarHBondContact CE1-O 3.16Å; H325-L670 PolarHBondContact NE2-O 2.92Å
326	C	96.1	Very high	97.1	Very high	19 Å²	19	58.9 Å²	58.9	13%	0.128	31%	0.311	C	S	.	.	S	Bend	trans	-85.7	156.4	-177.5	-46.2	0	0	0	0	111.3	Y323 V330 L331 P671	Y323-C326 WeakPolarHBondContact O-CB 3.32Å; Y323-C326 PolarHBondContact O-N 3.31Å; Y323-C326 VanDerWaalsContact O-N 3.08Å; Y323-C326 PolarHBondContact O-SG 3.35Å; C326-V330 HydrophobicContact CB-CG2 4.24Å; C326-L331 HydrophobicContact CB-CD1 4.06Å; C326-L331 HydrophobicContact CB-CD2 3.73Å; C326-L331 HydrophobicContact CB-CG 3.9Å; C326-P671 PolarHBondContact SG-O 2.93Å
327	D	95.1	Very high	97.2	Very high	62 Å²	62	59.3 Å²	59.3	33%	0.332	31%	0.313	S	S	.	.			trans	-68.8	129.7	164.2	-170	-56.7	0	0	0	109.3	A329 V330 W673	D327-A329 PolarHBondContact O-N 2.73Å; D327-A329 VanDerWaalsContact OD1-CB 3.25Å; D327-A329 WeakPolarHBondContact OD1-CB 3.43Å; D327-A329 PolarHBondContact OD1-N 3.45Å; D327-V330 HydrophobicContact CB-CG1 4.5Å; D327-V330 HydrophobicContact CB-CG2 4.49Å; D327-V330 VanDerWaalsContact O-CG2 3.27Å; D327-V330 WeakPolarHBondContact O-CG2 3.34Å; D327-V330 PolarHBondContact O-N 3.17Å; D327-W673 HydrophobicContact CB-CZ2 3.93Å
328	P	95.3	Very high	97.2	Very high	105 Å²	105	56.8 Å²	56.8	68%	0.682	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-23.9	178.3	-28	36.2	0	0	0	115
329	A	95.6	Very high	97.2	Very high	47 Å²	47	53.4 Å²	53.4	39%	0.388	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-42.8	175.2	0	0	0	0	0	112.5	D327 L331 S332 W673	D327-A329 PolarHBondContact O-N 2.73Å; D327-A329 VanDerWaalsContact OD1-CB 3.25Å; D327-A329 WeakPolarHBondContact OD1-CB 3.43Å; D327-A329 PolarHBondContact OD1-N 3.45Å; A329-L331 PolarHBondContact O-N 2.92Å; A329-S332 PolarHBondContact O-N 3.09Å; A329-S332 PolarHBondContact O-OG 3.23Å; A329-W673 HydrophobicContact CB-CH2 4.46Å
330	V	96.9	Very high	97.3	Very high	1 Å²	1	51 Å²	51	1%	0.006	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-15.2	-176.5	-51.7	0	0	0	0	113.2	C326 D327 S332 Y335 R336 W673	C326-V330 HydrophobicContact CB-CG2 4.24Å; D327-V330 HydrophobicContact CB-CG1 4.5Å; D327-V330 HydrophobicContact CB-CG2 4.49Å; D327-V330 VanDerWaalsContact O-CG2 3.27Å; D327-V330 WeakPolarHBondContact O-CG2 3.34Å; D327-V330 PolarHBondContact O-N 3.17Å; V330-S332 VanDerWaalsContact C-N 3.33Å; V330-Y335 VanDerWaalsContact CA-CD1 3.48Å; V330-Y335 HydrophobicContact CB-CD1 3.91Å; V330-Y335 HydrophobicContact CB-CE1 3.62Å; V330-Y335 HydrophobicContact CG1-CD1 4.3Å; V330-Y335 HydrophobicContact CG1-CE1 3.67Å; V330-R336 WeakPolarHBondContact O-CG 3.44Å; V330-W673 HydrophobicContact CG1-CD2 3.46Å; V330-W673 VanDerWaalsContact CG1-CD2 3.46Å; V330-W673 HydrophobicContact CG1-CE3 3.68Å; V330-W673 HydrophobicContact CG1-CG 3.87Å; V330-W673 HydrophobicContact CG1-CH2 4.24Å; V330-W673 HydrophobicContact CG1-CZ2 4.06Å; V330-W673 HydrophobicContact CG1-CZ3 4.06Å
331	L	98.2	Very high	97.3	Very high	26 Å²	26	50.2 Å²	50.2	14%	0.136	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-7.3	177.1	-63.7	-177.4	0	0	0	114	Q313 L316 Y323 C326 A329 P671	Q313-L331 PolarHBondContact NE2-O 2.86Å; Q313-L331 PolarHBondContact OE1-O 2.64Å; L316-L331 HydrophobicContact CD1-CB 4.41Å; L316-L331 HydrophobicContact CD1-CD2 4.25Å; L316-L331 HydrophobicContact CD2-CB 4.15Å; L316-L331 HydrophobicContact CD2-CD1 4.34Å; L316-L331 HydrophobicContact CD2-CD2 4.32Å; Y323-L331 HydrophobicContact CG-CD2 4.44Å; C326-L331 HydrophobicContact CB-CD1 4.06Å; C326-L331 HydrophobicContact CB-CD2 3.73Å; C326-L331 HydrophobicContact CB-CG 3.9Å; A329-L331 PolarHBondContact O-N 2.92Å; L331-P671 HydrophobicContact CD2-CB 4.43Å; L331-P671 HydrophobicContact CD2-CG 4.02Å
332	S	97.9	Very high	97.4	Very high	49 Å²	49	47.9 Å²	47.9	34%	0.343	27%	0.267	S	S	.	.	S	Bend	trans	-81.9	135.4	-176.6	67.2	0	0	0	0	112.3	A329 V330 Y335 R336	A329-S332 PolarHBondContact O-N 3.09Å; A329-S332 PolarHBondContact O-OG 3.23Å; V330-S332 VanDerWaalsContact C-N 3.33Å; S332-Y335 WeakPolarHBondContact O-CA 3.28Å; S332-Y335 WeakPolarHBondContact O-CB 3.39Å; S332-Y335 PolarHBondContact O-N 2.64Å; S332-Y335 WeakPolarHBondContact OG-CB 3.11Å; S332-R336 WeakPolarHBondContact O-CG 3.02Å; S332-R336 PolarHBondContact O-N 2.84Å
333	W	98.4	Very high	97.4	Very high	17 Å²	17	48.3 Å²	48.3	6%	0.064	27%	0.268	C	S	.	.	H	α-helix	trans	-55.2	-42.4	-178.5	-178.1	-115.3	0	0	0	114.4	Q313 Y335 R336 L337 L340 H361 E365 I366	Q313-W333 HydrophobicContact CB-CB 4.34Å; Q313-W333 HydrophobicContact CG-CB 3.92Å; W333-Y335 PolarHBondContact O-N 2.72Å; W333-Y335 VanDerWaalsContact O-N 3.12Å; W333-R336 HydrophobicContact CE3-CB 4.31Å; W333-R336 PolarHBondContact O-N 2.75Å; W333-R336 VanDerWaalsContact O-N 3.08Å; W333-L337 HydrophobicContact CD2-CB 4.04Å; W333-L337 HydrophobicContact CE3-CB 4.36Å; W333-L337 HydrophobicContact CH2-CB 4.11Å; W333-L337 HydrophobicContact CH2-CD1 3.96Å; W333-L337 HydrophobicContact CZ2-CB 3.75Å; W333-L337 HydrophobicContact CZ2-CD1 3.63Å; W333-L337 HydrophobicContact CZ2-CD2 3.99Å; W333-L337 HydrophobicContact CZ2-CG 3.98Å; W333-L337 HydrophobicContact CZ3-CB 4.39Å; W333-L337 WeakPolarHBondContact O-CB 3.34Å; W333-L337 PolarHBondContact O-N 3.05Å; W333-L340 HydrophobicContact CH2-CD1 4.26Å; W333-L340 HydrophobicContact CZ3-CD1 3.82Å; W333-H361 AromaticContact CD1-CD2 3.46Å; W333-H361 VanDerWaalsContact CD1-CD2 3.46Å; W333-H361 AromaticContact CD1-CE1 3.77Å; W333-H361 AromaticContact CD1-CG 3.93Å; W333-H361 AromaticContact CD1-NE2 3.35Å; W333-H361 AromaticContact CD2-ND1 3.94Å; W333-H361 AromaticContact CE2-CD2 3.84Å; W333-H361 AromaticContact CE2-CG 3.51Å; W333-H361 AromaticContact CE2-ND1 3.69Å; W333-H361 AromaticContact CG-CE1 3.85Å; W333-H361 AromaticContact CG-NE2 3.86Å; W333-H361 HydrophobicContact CZ2-CB 3.6Å; W333-H361 AromaticContact CZ2-CG 3.83Å; W333-H361 AromaticContact NE1-CD2 3.18Å; W333-H361 PolarHBondContact NE1-CD2 3.13Å; W333-H361 AromaticContact NE1-CE1 3.94Å; W333-H361 AromaticContact NE1-CG 3.35Å; W333-H361 VanDerWaalsContact NE1-CG 3.35Å; W333-H361 AromaticContact NE1-ND1 3.8Å; W333-H361 AromaticContact NE1-NE2 3.6Å; W333-E365 PolarHBondContact NE1-OE2 3.02Å; W333-I366 HydrophobicContact CH2-CD1 3.91Å; W333-I366 HydrophobicContact CH2-CG1 4.34Å; W333-I366 HydrophobicContact CZ2-CD1 3.89Å; W333-I366 HydrophobicContact CZ2-CG1 4.03Å
334	P	98.1	Very high	97.4	Very high	108 Å²	108	48 Å²	48	70%	0.701	27%	0.267	S	S	*	.	H	α-helix	trans	-64.1	-15.9	175.3	-23.5	35.9	0	0	0	114.9	P338	P334-P338 WeakPolarHBondContact O-CD 3.47Å; P334-P338 WeakPolarHBondContact O-CG 3.35Å
335	Y	98	Very high	97.5	Very high	54 Å²	54	42.3 Å²	42.3	21%	0.212	25%	0.25	C	C	.	.	H	α-helix	trans	-89.1	-43.5	169	-178.2	-87.8	0	0	0	111.6	V330 S332 W333 N339 W673	V330-Y335 VanDerWaalsContact CA-CD1 3.48Å; V330-Y335 HydrophobicContact CB-CD1 3.91Å; V330-Y335 HydrophobicContact CB-CE1 3.62Å; V330-Y335 HydrophobicContact CG1-CD1 4.3Å; V330-Y335 HydrophobicContact CG1-CE1 3.67Å; S332-Y335 WeakPolarHBondContact O-CA 3.28Å; S332-Y335 WeakPolarHBondContact O-CB 3.39Å; S332-Y335 PolarHBondContact O-N 2.64Å; S332-Y335 WeakPolarHBondContact OG-CB 3.11Å; W333-Y335 PolarHBondContact O-N 2.72Å; W333-Y335 VanDerWaalsContact O-N 3.12Å; Y335-N339 VanDerWaalsContact CE1-ND2 3.27Å; Y335-N339 WeakPolarHBondContact CE1-ND2 3.27Å; Y335-N339 PolarHBondContact O-ND2 2.89Å; Y335-W673 HydrophobicContact CE2-CE3 4.35Å; Y335-W673 HydrophobicContact CE2-CZ3 4.37Å; Y335-W673 WeakPolarHBondContact OH-CA 2.95Å; Y335-W673 PolarHBondContact OH-O 3.13Å
336	R	98.7	Very high	97.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-69.9	-44.4	-175.2	-64.9	-166.8	-44.7	110.7	-6.8	113.3	I310 L311 Q313 V330 S332 W333 N339 L340 S676	I310-R336 PolarHBondContact O-NH1 2.85Å; L311-R336 PolarHBondContact O-NH1 2.89Å; L311-R336 PolarHBondContact O-NH2 3.44Å; Q313-R336 VanDerWaalsContact OE1-NE 3.07Å; V330-R336 WeakPolarHBondContact O-CG 3.44Å; S332-R336 WeakPolarHBondContact O-CG 3.02Å; S332-R336 PolarHBondContact O-N 2.84Å; W333-R336 HydrophobicContact CE3-CB 4.31Å; W333-R336 PolarHBondContact O-N 2.75Å; W333-R336 VanDerWaalsContact O-N 3.08Å; R336-N339 PolarHBondContact O-N 2.96Å; R336-L340 HydrophobicContact CB-CD1 4.33Å; R336-L340 WeakPolarHBondContact O-CG 3.37Å; R336-L340 PolarHBondContact O-N 2.87Å; R336-S676 WeakPolarHBondContact CD-O 3.45Å; R336-S676 PolarHBondContact NH1-O 3.29Å
337	L	98.6	Very high	97.7	Very high	15 Å²	15	47.5 Å²	47.5	8%	0.079	27%	0.272	C	S	.	.	H	α-helix	trans	-59.7	-48.1	-174.8	171.5	64.7	0	0	0	113.6	W333 N339 L340 L341 E365 I366	W333-L337 HydrophobicContact CD2-CB 4.04Å; W333-L337 HydrophobicContact CE3-CB 4.36Å; W333-L337 HydrophobicContact CH2-CB 4.11Å; W333-L337 HydrophobicContact CH2-CD1 3.96Å; W333-L337 HydrophobicContact CZ2-CB 3.75Å; W333-L337 HydrophobicContact CZ2-CD1 3.63Å; W333-L337 HydrophobicContact CZ2-CD2 3.99Å; W333-L337 HydrophobicContact CZ2-CG 3.98Å; W333-L337 HydrophobicContact CZ3-CB 4.39Å; W333-L337 WeakPolarHBondContact O-CB 3.34Å; W333-L337 PolarHBondContact O-N 3.05Å; L337-N339 VanDerWaalsContact C-N 3.27Å; L337-N339 PolarHBondContact O-N 2.68Å; L337-L340 PolarHBondContact O-N 3.24Å; L337-L341 HydrophobicContact CD1-CD1 3.68Å; L337-L341 HydrophobicContact CD1-CD2 4.36Å; L337-L341 HydrophobicContact CD1-CG 3.72Å; L337-L341 HydrophobicContact CG-CD1 4Å; L337-L341 HydrophobicContact CG-CG 4.41Å; L337-L341 WeakPolarHBondContact O-CG 3.47Å; L337-L341 PolarHBondContact O-N 3.02Å; L337-E365 HydrophobicContact CD2-CB 3.7Å; L337-E365 HydrophobicContact CD2-CG 4.18Å; L337-E365 WeakPolarHBondContact CD2-OE1 3.41Å; L337-I366 HydrophobicContact CD1-CG1 3.99Å
338	P	98.4	Very high	97.9	Very high	71 Å²	71	48.5 Å²	48.5	46%	0.461	28%	0.277	S	S	.	.	H	α-helix	trans	-57.3	-38.5	176.2	-27.3	35.9	0	0	0	113.5	P334 A342	P334-P338 WeakPolarHBondContact O-CD 3.47Å; P334-P338 WeakPolarHBondContact O-CG 3.35Å; P338-A342 VanDerWaalsContact O-CB 3.27Å; P338-A342 WeakPolarHBondContact O-CB 3.41Å; P338-A342 PolarHBondContact O-N 2.89Å
339	N	98.3	Very high	98	Very high	49 Å²	49	43.5 Å²	43.5	26%	0.262	25%	0.245	S	C	.	.	H	α-helix	trans	-69.9	-44.5	177.7	-66.2	-20.1	0	0	0	111.7	Y335 R336 L337 L341 A342 E343 S676	Y335-N339 VanDerWaalsContact CE1-ND2 3.27Å; Y335-N339 WeakPolarHBondContact CE1-ND2 3.27Å; Y335-N339 PolarHBondContact O-ND2 2.89Å; R336-N339 PolarHBondContact O-N 2.96Å; L337-N339 VanDerWaalsContact C-N 3.27Å; L337-N339 PolarHBondContact O-N 2.68Å; N339-L341 PolarHBondContact O-N 3.26Å; N339-A342 PolarHBondContact O-N 2.89Å; N339-E343 WeakPolarHBondContact O-CB 3.41Å; N339-E343 PolarHBondContact O-N 3.41Å; N339-S676 WeakPolarHBondContact CB-OG 3.34Å; N339-S676 PolarHBondContact ND2-OG 3.18Å
340	L	98.7	Very high	98.2	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-60.5	-43.7	176.7	-70.8	165.7	0	0	0	111.6	Y308 I310 W333 R336 L337 E343 I344	Y308-L340 HydrophobicContact CE1-CD2 3.81Å; I310-L340 HydrophobicContact CB-CD1 4.24Å; I310-L340 HydrophobicContact CB-CD2 4.26Å; I310-L340 HydrophobicContact CG2-CD2 4.37Å; W333-L340 HydrophobicContact CH2-CD1 4.26Å; W333-L340 HydrophobicContact CZ3-CD1 3.82Å; R336-L340 HydrophobicContact CB-CD1 4.33Å; R336-L340 WeakPolarHBondContact O-CG 3.37Å; R336-L340 PolarHBondContact O-N 2.87Å; L337-L340 PolarHBondContact O-N 3.24Å; L340-E343 PolarHBondContact O-N 3.03Å; L340-I344 VanDerWaalsContact O-CG1 3.31Å; L340-I344 WeakPolarHBondContact O-CG1 3.26Å; L340-I344 PolarHBondContact O-N 2.84Å
341	L	98.7	Very high	98.3	Very high	34 Å²	34	41.8 Å²	41.8	18%	0.178	23%	0.229	C	C	.	.	H	α-helix	trans	-66.6	-39	175.2	-70.4	175.2	0	0	0	112.1	L337 N339 I344 Q345 A369	L337-L341 HydrophobicContact CD1-CD1 3.68Å; L337-L341 HydrophobicContact CD1-CD2 4.36Å; L337-L341 HydrophobicContact CD1-CG 3.72Å; L337-L341 HydrophobicContact CG-CD1 4Å; L337-L341 HydrophobicContact CG-CG 4.41Å; L337-L341 WeakPolarHBondContact O-CG 3.47Å; L337-L341 PolarHBondContact O-N 3.02Å; N339-L341 PolarHBondContact O-N 3.26Å; L341-I344 PolarHBondContact O-N 2.94Å; L341-Q345 VanDerWaalsContact O-CB 3.24Å; L341-Q345 WeakPolarHBondContact O-CB 3.41Å; L341-Q345 PolarHBondContact O-N 3.28Å; L341-A369 HydrophobicContact CD1-CB 3.69Å; L341-A369 HydrophobicContact CD2-CB 3.77Å; L341-A369 HydrophobicContact CG-CB 4.41Å
342	A	98.3	Very high	98.3	Very high	52 Å²	52	40.6 Å²	40.6	43%	0.43	22%	0.223	S	C	.	.	H	α-helix	trans	-65.5	-39.8	175.6	0	0	0	0	0	112.4	P338 N339 Q345 Q346	P338-A342 VanDerWaalsContact O-CB 3.27Å; P338-A342 WeakPolarHBondContact O-CB 3.41Å; P338-A342 PolarHBondContact O-N 2.89Å; N339-A342 PolarHBondContact O-N 2.89Å; A342-Q345 PolarHBondContact O-N 2.87Å; A342-Q346 WeakPolarHBondContact O-CB 3.12Å; A342-Q346 PolarHBondContact O-N 2.86Å
343	E	97.3	Very high	98.4	Very high	21 Å²	21	38.2 Å²	38.2	10%	0.098	21%	0.207	C	C	.	.	H	α-helix	trans	-65.8	-42.9	176.2	-170.5	170.4	-145.8	0	0	111.4	Y308 N339 L340 H347 H675 P681	Y308-E343 VanDerWaalsContact CE1-OE2 3.27Å; Y308-E343 WeakPolarHBondContact CE1-OE2 3.3Å; Y308-E343 VanDerWaalsContact CZ-OE2 3.28Å; Y308-E343 PolarHBondContact OH-OE2 2.87Å; N339-E343 WeakPolarHBondContact O-CB 3.41Å; N339-E343 PolarHBondContact O-N 3.41Å; L340-E343 PolarHBondContact O-N 3.03Å; E343-H347 PolarHBondContact O-CD2 2.9Å; E343-H347 PolarHBondContact O-N 2.8Å; E343-H675 IonicContact OE1-ND1 2.76Å; E343-P681 HydrophobicContact CG-CG 4.23Å
344	I	98.5	Very high	98.4	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-61.1	-48.5	172.2	-70.9	166.8	0	0	0	111.1	M306 L340 L341 Q346 H347 D348 L352 L370	M306-I344 HydrophobicContact SD-CG1 4.15Å; L340-I344 VanDerWaalsContact O-CG1 3.31Å; L340-I344 WeakPolarHBondContact O-CG1 3.26Å; L340-I344 PolarHBondContact O-N 2.84Å; L341-I344 PolarHBondContact O-N 2.94Å; I344-Q346 PolarHBondContact O-N 2.86Å; I344-H347 PolarHBondContact O-N 3.28Å; I344-D348 PolarHBondContact O-N 2.89Å; I344-L352 HydrophobicContact CD1-CD1 4.45Å; I344-L352 HydrophobicContact CG2-CD1 3.52Å; I344-L352 HydrophobicContact CG2-CD2 4.36Å; I344-L370 HydrophobicContact CG2-CD2 3.93Å
345	Q	98.3	Very high	98.4	Very high	86 Å²	86	32.3 Å²	32.3	40%	0.402	17%	0.17	S	C	.	.	H	α-helix	trans	-66.4	-35.5	-179.1	-174.8	178.7	3	0	0	112.6	L341 A342 H347 L373	L341-Q345 VanDerWaalsContact O-CB 3.24Å; L341-Q345 WeakPolarHBondContact O-CB 3.41Å; L341-Q345 PolarHBondContact O-N 3.28Å; A342-Q345 PolarHBondContact O-N 2.87Å; Q345-H347 VanDerWaalsContact C-N 3.33Å; Q345-L373 HydrophobicContact CB-CD1 4.19Å; Q345-L373 HydrophobicContact CG-CD1 4.44Å; Q345-L373 HydrophobicContact CG-CD2 4.02Å
346	Q	97.3	Very high	98.5	Very high	152 Å²	152	30.8 Å²	30.8	71%	0.71	17%	0.165	S	C	*	.	H	α-helix	trans	-65.9	-35.9	176.1	-179.9	-176.6	-95	0	0	112.1	A342 I344	A342-Q346 WeakPolarHBondContact O-CB 3.12Å; A342-Q346 PolarHBondContact O-N 2.86Å; I344-Q346 PolarHBondContact O-N 2.86Å
347	H	97.6	Very high	98.5	Very high	38 Å²	38	30.8 Å²	30.8	18%	0.176	17%	0.165	C	C	.	.	H	α-helix	trans	-88.6	-21.9	-178.6	-74.1	-50	0	0	0	114.1	M306 E343 I344 Q345 A349 L683	M306-H347 HydrophobicContact CE-CB 3.56Å; E343-H347 PolarHBondContact O-CD2 2.9Å; E343-H347 PolarHBondContact O-N 2.8Å; I344-H347 PolarHBondContact O-N 3.28Å; Q345-H347 VanDerWaalsContact C-N 3.33Å; H347-A349 VanDerWaalsContact C-N 3.29Å; H347-A349 PolarHBondContact O-N 3.12Å; H347-A349 VanDerWaalsContact O-N 3.14Å; H347-L683 HydrophobicContact CB-CD2 3.69Å; H347-L683 WeakPolarHBondContact ND1-CD2 3.37Å
348	D	98.4	Very high	98.5	Very high	83 Å²	83	30.2 Å²	30.2	44%	0.444	16%	0.162	S	C	.	.			trans	40.2	52.1	174.7	-168.1	43.2	0	0	0	113.6	I344 Y375 K395	I344-D348 PolarHBondContact O-N 2.89Å; D348-Y375 PolarHBondContact OD1-OH 3.13Å; D348-K395 PolarHBondContact O-NZ 3.14Å; D348-K395 WeakPolarHBondContact OD1-CE 3.25Å; D348-K395 IonicContact OD1-NZ 3.54Å; D348-K395 PolarHBondContact OD1-NZ 3.1Å; D348-K395 VanDerWaalsContact OD1-NZ 3.13Å; D348-K395 IonicContact OD2-NZ 3.59Å; D348-K395 PolarHBondContact OD2-NZ 3.48Å
349	A	98.8	Very high	98.5	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.			trans	-76.4	134.9	-175.6	0	0	0	0	0	111.4	S304 M306 H347 I351 L352 Y375 L683	S304-A349 WeakPolarHBondContact OG-CA 3.12Å; M306-A349 HydrophobicContact CB-CB 3.88Å; H347-A349 VanDerWaalsContact C-N 3.29Å; H347-A349 PolarHBondContact O-N 3.12Å; H347-A349 VanDerWaalsContact O-N 3.14Å; A349-I351 PolarHBondContact O-N 3.37Å; A349-I351 VanDerWaalsContact O-N 3.12Å; A349-L352 HydrophobicContact CB-CD2 3.82Å; A349-Y375 WeakPolarHBondContact O-CE1 3.44Å; A349-Y375 PolarHBondContact O-OH 3.27Å; A349-L683 HydrophobicContact CB-CD1 3.58Å
350	D	98.9	Very high	98.5	Very high	13 Å²	13	32.4 Å²	32.4	7%	0.07	17%	0.167	C	C	.	.	S	Bend	trans	-62.9	-23.5	-174.7	-67.2	-30.6	0	0	0	113.7	F303 S304 F394 K395 R398 F399	F303-D350 WeakPolarHBondContact CA-OD2 3.38Å; F303-D350 HydrophobicContact CB-CB 4.28Å; F303-D350 WeakPolarHBondContact CB-OD2 3.47Å; S304-D350 PolarHBondContact N-OD2 2.88Å; S304-D350 PolarHBondContact O-N 3.06Å; S304-D350 VanDerWaalsContact O-N 3.13Å; S304-D350 PolarHBondContact OG-N 2.85Å; D350-F394 WeakPolarHBondContact O-CA 3.41Å; D350-K395 PolarHBondContact O-N 2.82Å; D350-K395 WeakPolarHBondContact OD1-CD 3.27Å; D350-K395 WeakPolarHBondContact OD1-CE 3.34Å; D350-K395 IonicContact OD1-NZ 3.46Å; D350-K395 PolarHBondContact OD1-NZ 3.47Å; D350-R398 HydrophobicContact CB-CG 4.44Å; D350-R398 IonicContact OD1-NE 2.82Å; D350-R398 PolarHBondContact OD1-NE 3.34Å; D350-R398 IonicContact OD2-CZ 2.62Å; D350-R398 IonicContact OD2-NE 3.5Å; D350-R398 PolarHBondContact OD2-NE 2.8Å; D350-R398 VanDerWaalsContact OD2-NE 3.1Å; D350-R398 IonicContact OD2-NH2 3.01Å; D350-R398 PolarHBondContact OD2-NH2 3.45Å; D350-F399 HydrophobicContact CB-CE2 3.99Å
351	I	98.9	Very high	98.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	135.7	173.5	-59.6	164.2	0	0	0	109.7	F303 S304 V305 M306 A349 I392 T393 F394 F399 L428 V445	F303-I351 HydrophobicContact CD2-CD1 4.09Å; F303-I351 HydrophobicContact CE2-CD1 4.1Å; S304-I351 PolarHBondContact O-N 2.86Å; V305-I351 CarbonylContact C-O 3.47Å; V305-I351 WeakPolarHBondContact CA-O 3.46Å; V305-I351 HydrophobicContact CG1-CB 4.36Å; V305-I351 HydrophobicContact CG1-CG2 4.36Å; V305-I351 HydrophobicContact CG2-CB 4.31Å; V305-I351 HydrophobicContact CG2-CD1 4.26Å; M306-I351 PolarHBondContact N-O 2.87Å; A349-I351 PolarHBondContact O-N 3.37Å; A349-I351 VanDerWaalsContact O-N 3.12Å; I351-I392 HydrophobicContact CG2-CG2 4.26Å; I351-T393 CarbonylContact C-O 3.57Å; I351-T393 WeakPolarHBondContact CA-O 3.29Å; I351-F394 HydrophobicContact CG1-CB 4.1Å; I351-F399 HydrophobicContact CD1-CD2 4.35Å; I351-F399 HydrophobicContact CD1-CE1 4.37Å; I351-F399 HydrophobicContact CD1-CE2 3.66Å; I351-F399 HydrophobicContact CD1-CZ 3.66Å; I351-F399 HydrophobicContact CG1-CD2 4.07Å; I351-F399 HydrophobicContact CG1-CE2 3.59Å; I351-F399 HydrophobicContact CG1-CZ 4.15Å; I351-L428 HydrophobicContact CD1-CD1 4.02Å; I351-L428 HydrophobicContact CG1-CD1 4.2Å; I351-V445 HydrophobicContact CD1-CG2 4.18Å; I351-V445 HydrophobicContact CG2-CG1 4.22Å
352	L	98.9	Very high	98.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.4	171.4	-41.3	179.7	0	0	0	110.6	M306 I344 A349 L354 L370 Y375 I392 T393	M306-L352 HydrophobicContact CB-CD2 3.84Å; M306-L352 HydrophobicContact SD-CD2 4.24Å; I344-L352 HydrophobicContact CD1-CD1 4.45Å; I344-L352 HydrophobicContact CG2-CD1 3.52Å; I344-L352 HydrophobicContact CG2-CD2 4.36Å; A349-L352 HydrophobicContact CB-CD2 3.82Å; L352-L354 HydrophobicContact CB-CD2 4.21Å; L352-L354 HydrophobicContact CB-CG 4.22Å; L352-L370 HydrophobicContact CD1-CD1 4.36Å; L352-L370 HydrophobicContact CD1-CD2 3.88Å; L352-Y375 HydrophobicContact CD1-CD1 4.3Å; L352-Y375 HydrophobicContact CD1-CE1 4.04Å; L352-Y375 HydrophobicContact CD2-CE1 4.2Å; L352-Y375 HydrophobicContact CG-CD1 4.22Å; L352-Y375 HydrophobicContact CG-CE1 3.82Å; L352-I392 CarbonylContact O-C 3.57Å; L352-I392 WeakPolarHBondContact O-CA 3.5Å; L352-T393 WeakPolarHBondContact CB-OG1 3.19Å; L352-T393 WeakPolarHBondContact CD1-OG1 3.49Å; L352-T393 WeakPolarHBondContact CG-OG1 3.31Å; L352-T393 PolarHBondContact N-O 2.98Å; L352-T393 PolarHBondContact O-N 3.41Å
353	C	98.9	Very high	98.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	99.3	170	-73.4	0	0	0	0	109	M306 S307 Y308 Q355 N447 C488	M306-C353 PolarHBondContact O-N 3.36Å; S307-C353 VanDerWaalsContact CA-O 3.27Å; S307-C353 WeakPolarHBondContact CA-O 3.45Å; Y308-C353 PolarHBondContact N-O 3.07Å; C353-Q355 PolarHBondContact O-NE2 3.11Å; C353-N447 HydrophobicContact CB-CB 4.11Å; C353-C488 HydrophobicContact CB-CB 3.36Å; C353-C488 VanDerWaalsContact SG-SG 3.66Å
354	L	98.9	Very high	98.6	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	143	-173.6	-54.2	179.8	0	0	0	111.9	Y308 I310 L352 V357 L370 C390 A391 N447	Y308-L354 VanDerWaalsContact O-CA 3.31Å; Y308-L354 WeakPolarHBondContact O-CA 3.33Å; I310-L354 HydrophobicContact CG2-CD2 4.2Å; L352-L354 HydrophobicContact CB-CD2 4.21Å; L352-L354 HydrophobicContact CB-CG 4.22Å; L354-V357 HydrophobicContact CB-CG2 3.46Å; L354-V357 VanDerWaalsContact CB-CG2 3.46Å; L354-V357 HydrophobicContact CD1-CG2 4.49Å; L354-L370 HydrophobicContact CD1-CD1 4.26Å; L354-C390 WeakPolarHBondContact O-CA 3.3Å; L354-A391 HydrophobicContact CB-CB 4.37Å; L354-A391 PolarHBondContact N-O 2.8Å; L354-A391 PolarHBondContact O-N 2.77Å; L354-N447 PolarHBondContact N-ND2 3.23Å; L354-N447 PolarHBondContact O-ND2 2.83Å
355	Q	98.9	Very high	98.6	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	158.2	175	-54.3	77.5	41.3	0	0	111.1	S307 Y308 N309 I310 C353 V357 N447 H449 D490	S307-Q355 PolarHBondContact OG-NE2 3.06Å; Y308-Q355 PolarHBondContact O-N 3.47Å; Y308-Q355 PolarHBondContact O-OE1 3.33Å; N309-Q355 HydrophobicContact CB-CB 4.04Å; N309-Q355 PolarHBondContact OD1-O 2.88Å; I310-Q355 WeakPolarHBondContact CG1-O 3.45Å; I310-Q355 PolarHBondContact N-O 3.17Å; C353-Q355 PolarHBondContact O-NE2 3.11Å; Q355-V357 PolarHBondContact O-N 3.02Å; Q355-N447 PolarHBondContact NE2-OD1 2.86Å; Q355-H449 HydrophobicContact CB-CB 4.31Å; Q355-H449 HydrophobicContact CG-CB 4.32Å; Q355-D490 HydrophobicContact CG-CB 4.48Å
356	E	98.9	Very high	98.6	Very high	21 Å²	21	38.1 Å²	38.1	10%	0.098	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.5	29.7	-171.6	-59.7	-170.4	-155.7	0	0	115.3	N309 S312 L315 Q358 G389 H449	N309-E356 PolarHBondContact ND2-OE1 3.34Å; N309-E356 VanDerWaalsContact OD1-CB 3.24Å; N309-E356 WeakPolarHBondContact OD1-CB 3.21Å; N309-E356 VanDerWaalsContact OD1-CD 3.31Å; N309-E356 WeakPolarHBondContact OD1-CG 3.31Å; S312-E356 WeakPolarHBondContact CB-O 3.45Å; S312-E356 PolarHBondContact N-OE2 2.94Å; L315-E356 HydrophobicContact CD1-CG 4.07Å; L315-E356 WeakPolarHBondContact CD1-OE2 3.3Å; E356-Q358 PolarHBondContact O-N 3.5Å; E356-Q358 VanDerWaalsContact O-N 3.12Å; E356-G389 PolarHBondContact N-O 2.87Å; E356-G389 VanDerWaalsContact N-O 3.14Å; E356-H449 IonicContact OE1-CE1 3.13Å; E356-H449 PolarHBondContact OE1-CE1 2.71Å
357	V	98.9	Very high	98.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	111.5	177.2	-166.1	0	0	0	0	108.5	I310 L354 Q355 Y362 I366 Y379 D388 G389 A391	I310-V357 HydrophobicContact CD1-CB 4.46Å; I310-V357 HydrophobicContact CD1-CG1 4.31Å; I310-V357 HydrophobicContact CD1-CG2 4.14Å; I310-V357 HydrophobicContact CG1-CG2 4.44Å; L354-V357 HydrophobicContact CB-CG2 3.46Å; L354-V357 VanDerWaalsContact CB-CG2 3.46Å; L354-V357 HydrophobicContact CD1-CG2 4.49Å; Q355-V357 PolarHBondContact O-N 3.02Å; V357-Y362 HydrophobicContact CG1-CD2 3.78Å; V357-Y362 HydrophobicContact CG1-CG 4.23Å; V357-I366 HydrophobicContact CG1-CD1 3.86Å; V357-Y379 HydrophobicContact CB-CD2 4.48Å; V357-Y379 HydrophobicContact CB-CE2 4.03Å; V357-Y379 HydrophobicContact CG1-CE2 4.44Å; V357-Y379 WeakPolarHBondContact O-CE2 3.26Å; V357-Y379 PolarHBondContact O-OH 3.02Å; V357-D388 CarbonylContact O-C 3.53Å; V357-D388 VanDerWaalsContact O-CA 3.31Å; V357-D388 WeakPolarHBondContact O-CA 3.5Å; V357-G389 PolarHBondContact N-O 3.48Å; V357-G389 PolarHBondContact O-N 3.02Å; V357-A391 HydrophobicContact CG2-CB 4.08Å
358	Q	98.8	Very high	98.7	Very high	3 Å²	3	34 Å²	34	1%	0.014	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	136.7	-177.1	-155.7	171	-62	0	0	111.3	S312 D314 E356 D360 H361 Y362 P387	S312-Q358 PolarHBondContact OG-OE1 2.96Å; D314-Q358 PolarHBondContact OD1-NE2 3.45Å; D314-Q358 PolarHBondContact OD1-OE1 2.8Å; E356-Q358 PolarHBondContact O-N 3.5Å; E356-Q358 VanDerWaalsContact O-N 3.12Å; Q358-D360 VanDerWaalsContact CG-OD1 3.3Å; Q358-D360 WeakPolarHBondContact CG-OD1 3.33Å; Q358-D360 PolarHBondContact NE2-OD1 3.01Å; Q358-D360 PolarHBondContact O-N 3.3Å; Q358-H361 HydrophobicContact CB-CB 4.3Å; Q358-H361 PolarHBondContact NE2-CE1 2.87Å; Q358-H361 VanDerWaalsContact NE2-CE1 3.29Å; Q358-H361 PolarHBondContact NE2-ND1 3.17Å; Q358-Y362 WeakPolarHBondContact O-CA 3.37Å; Q358-Y362 WeakPolarHBondContact O-CB 3.25Å; Q358-Y362 PolarHBondContact O-N 2.87Å; Q358-P387 HydrophobicContact CG-CB 4Å
359	E	98.7	Very high	98.8	Very high	88 Å²	88	31.3 Å²	31.3	41%	0.411	16%	0.162	S	C	.	.	H	α-helix	trans	-61	-44	-170.9	-177.6	-170.9	-111.5	0	0	114.6	Y362 E363 Y379 K381 P387	E359-Y362 WeakPolarHBondContact O-CB 3.45Å; E359-Y362 PolarHBondContact O-N 2.8Å; E359-E363 PolarHBondContact O-N 2.77Å; E359-E363 VanDerWaalsContact O-N 3.07Å; E359-Y379 HydrophobicContact CB-CE1 4.47Å; E359-Y379 HydrophobicContact CG-CE1 4.47Å; E359-K381 HydrophobicContact CB-CD 3.85Å; E359-K381 HydrophobicContact CG-CD 4.01Å; E359-K381 WeakPolarHBondContact OE1-CD 3.49Å; E359-K381 IonicContact OE1-NZ 3.94Å; E359-K381 PolarHBondContact OE1-NZ 3.06Å; E359-K381 IonicContact OE2-NZ 2.72Å; E359-K381 PolarHBondContact OE2-NZ 3.26Å; E359-P387 PolarHBondContact N-O 3.01Å
360	D	98.4	Very high	98.8	Very high	78 Å²	78	31.3 Å²	31.3	42%	0.417	16%	0.162	S	C	.	.	H	α-helix	trans	-71.5	-46.4	-178.7	54.8	-12.6	0	0	0	111.4	Q358 Y362 N364	Q358-D360 VanDerWaalsContact CG-OD1 3.3Å; Q358-D360 WeakPolarHBondContact CG-OD1 3.33Å; Q358-D360 PolarHBondContact NE2-OD1 3.01Å; Q358-D360 PolarHBondContact O-N 3.3Å; D360-Y362 VanDerWaalsContact C-N 3.26Å; D360-Y362 PolarHBondContact O-N 3.08Å; D360-N364 WeakPolarHBondContact O-CB 3.3Å; D360-N364 PolarHBondContact O-N 2.96Å; D360-N364 VanDerWaalsContact O-N 3.11Å; D360-N364 PolarHBondContact O-ND2 2.76Å
361	H	98.7	Very high	98.8	Very high	27 Å²	27	35.8 Å²	35.8	13%	0.125	18%	0.182	C	C	.	.	H	α-helix	trans	-63.3	-32.1	170.9	-58	142.7	0	0	0	112.3	W333 Q358 E365 I366	W333-H361 AromaticContact CD1-CD2 3.46Å; W333-H361 VanDerWaalsContact CD1-CD2 3.46Å; W333-H361 AromaticContact CD1-CE1 3.77Å; W333-H361 AromaticContact CD1-CG 3.93Å; W333-H361 AromaticContact CD1-NE2 3.35Å; W333-H361 AromaticContact CD2-ND1 3.94Å; W333-H361 AromaticContact CE2-CD2 3.84Å; W333-H361 AromaticContact CE2-CG 3.51Å; W333-H361 AromaticContact CE2-ND1 3.69Å; W333-H361 AromaticContact CG-CE1 3.85Å; W333-H361 AromaticContact CG-NE2 3.86Å; W333-H361 HydrophobicContact CZ2-CB 3.6Å; W333-H361 AromaticContact CZ2-CG 3.83Å; W333-H361 AromaticContact NE1-CD2 3.18Å; W333-H361 PolarHBondContact NE1-CD2 3.13Å; W333-H361 AromaticContact NE1-CE1 3.94Å; W333-H361 AromaticContact NE1-CG 3.35Å; W333-H361 VanDerWaalsContact NE1-CG 3.35Å; W333-H361 AromaticContact NE1-ND1 3.8Å; W333-H361 AromaticContact NE1-NE2 3.6Å; Q358-H361 HydrophobicContact CB-CB 4.3Å; Q358-H361 PolarHBondContact NE2-CE1 2.87Å; Q358-H361 VanDerWaalsContact NE2-CE1 3.29Å; Q358-H361 PolarHBondContact NE2-ND1 3.17Å; H361-E365 IonicContact CD2-OE2 3.18Å; H361-E365 PolarHBondContact CD2-OE2 2.8Å; H361-E365 VanDerWaalsContact CD2-OE2 3.31Å; H361-E365 IonicContact CG-OE2 3.78Å; H361-E365 WeakPolarHBondContact O-CB 3.42Å; H361-E365 PolarHBondContact O-N 2.81Å; H361-I366 HydrophobicContact CB-CD1 4.11Å; H361-I366 WeakPolarHBondContact O-CG1 3.39Å; H361-I366 PolarHBondContact O-N 2.78Å
362	Y	98.8	Very high	98.7	Very high	3 Å²	3	40.1 Å²	40.1	1%	0.012	22%	0.218	C	C	.	.	I	π-helix	trans	-62.1	-61.2	176.6	178.1	-111.9	0	0	0	110.9	V357 Q358 E359 D360 N364 K367 C377 Y379 A391	V357-Y362 HydrophobicContact CG1-CD2 3.78Å; V357-Y362 HydrophobicContact CG1-CG 4.23Å; Q358-Y362 WeakPolarHBondContact O-CA 3.37Å; Q358-Y362 WeakPolarHBondContact O-CB 3.25Å; Q358-Y362 PolarHBondContact O-N 2.87Å; E359-Y362 WeakPolarHBondContact O-CB 3.45Å; E359-Y362 PolarHBondContact O-N 2.8Å; D360-Y362 VanDerWaalsContact C-N 3.26Å; D360-Y362 PolarHBondContact O-N 3.08Å; Y362-N364 PolarHBondContact O-N 3.04Å; Y362-K367 HydrophobicContact CD1-CD 4.32Å; Y362-K367 HydrophobicContact CD2-CB 4.04Å; Y362-K367 HydrophobicContact CE1-CB 4.27Å; Y362-K367 HydrophobicContact CE1-CD 3.69Å; Y362-K367 HydrophobicContact CE1-CG 4.29Å; Y362-K367 HydrophobicContact CE2-CB 3.75Å; Y362-K367 HydrophobicContact CE2-CG 4.23Å; Y362-K367 HydrophobicContact CG-CB 4.42Å; Y362-K367 WeakPolarHBondContact O-CB 3.29Å; Y362-K367 PolarHBondContact O-N 3.49Å; Y362-C377 HydrophobicContact CE2-CB 4.5Å; Y362-C377 VanDerWaalsContact OH-CB 3.31Å; Y362-C377 WeakPolarHBondContact OH-CB 3.03Å; Y362-C377 PolarHBondContact OH-O 2.83Å; Y362-C377 VanDerWaalsContact OH-O 3.13Å; Y362-Y379 AromaticContact CD1-CD1 3.45Å; Y362-Y379 HydrophobicContact CD1-CD1 3.45Å; Y362-Y379 VanDerWaalsContact CD1-CD1 3.45Å; Y362-Y379 HydrophobicContact CD1-CD2 4.44Å; Y362-Y379 AromaticContact CD1-CE1 3.93Å; Y362-Y379 HydrophobicContact CD1-CE1 3.93Å; Y362-Y379 AromaticContact CD1-CG 3.74Å; Y362-Y379 HydrophobicContact CD1-CG 3.74Å; Y362-Y379 HydrophobicContact CD2-CG 4.48Å; Y362-Y379 AromaticContact CE1-CD1 3.58Å; Y362-Y379 HydrophobicContact CE1-CD1 3.58Å; Y362-Y379 HydrophobicContact CE1-CE1 4.49Å; Y362-Y379 AromaticContact CE1-CG 3.6Å; Y362-Y379 HydrophobicContact CE1-CG 3.6Å; Y362-Y379 HydrophobicContact CE2-CG 4.37Å; Y362-Y379 HydrophobicContact CG-CD1 4.17Å; Y362-Y379 HydrophobicContact CG-CD2 4.46Å; Y362-Y379 HydrophobicContact CG-CE1 4.41Å; Y362-Y379 HydrophobicContact CG-CG 4.19Å; Y362-Y379 AromaticContact CZ-CG 3.95Å; Y362-Y379 WeakPolarHBondContact OH-CB 3.12Å; Y362-A391 HydrophobicContact CE2-CB 4.5Å
363	E	98.6	Very high	98.7	Very high	91 Å²	91	42.9 Å²	42.9	43%	0.425	23%	0.232	S	C	.	.	I	π-helix	trans	-68.5	-35.4	-174.4	-70.5	-63.1	149.9	0	0	113	E359 K367	E359-E363 PolarHBondContact O-N 2.77Å; E359-E363 VanDerWaalsContact O-N 3.07Å; E363-K367 IonicContact OE1-NZ 2.97Å; E363-K367 PolarHBondContact OE1-NZ 3.17Å; E363-K367 WeakPolarHBondContact OE2-CD 3.36Å; E363-K367 IonicContact OE2-NZ 3.87Å; E363-K367 PolarHBondContact OE2-NZ 3.22Å
364	N	98.4	Very high	98.7	Very high	123 Å²	123	44.4 Å²	44.4	66%	0.658	25%	0.248	S	C	*	.	I	π-helix	trans	-87.3	-28.7	-175.1	-64.6	-68.2	0	0	0	114.5	D360 Y362	D360-N364 WeakPolarHBondContact O-CB 3.3Å; D360-N364 PolarHBondContact O-N 2.96Å; D360-N364 VanDerWaalsContact O-N 3.11Å; D360-N364 PolarHBondContact O-ND2 2.76Å; Y362-N364 PolarHBondContact O-N 3.04Å
365	E	98.5	Very high	98.7	Very high	74 Å²	74	44.6 Å²	44.6	35%	0.346	25%	0.248	S	C	.	.	I	π-helix	trans	-132.6	-56.5	-167.7	-59.6	175.6	110.1	0	0	113.7	W333 L337 H361 A369	W333-E365 PolarHBondContact NE1-OE2 3.02Å; L337-E365 HydrophobicContact CD2-CB 3.7Å; L337-E365 HydrophobicContact CD2-CG 4.18Å; L337-E365 WeakPolarHBondContact CD2-OE1 3.41Å; H361-E365 IonicContact CD2-OE2 3.18Å; H361-E365 PolarHBondContact CD2-OE2 2.8Å; H361-E365 VanDerWaalsContact CD2-OE2 3.31Å; H361-E365 IonicContact CG-OE2 3.78Å; H361-E365 WeakPolarHBondContact O-CB 3.42Å; H361-E365 PolarHBondContact O-N 2.81Å; E365-A369 VanDerWaalsContact O-CB 3.29Å; E365-A369 WeakPolarHBondContact O-CB 3.35Å; E365-A369 PolarHBondContact O-N 2.72Å; E365-A369 VanDerWaalsContact O-N 3.09Å
366	I	98.8	Very high	98.7	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.026	27%	0.267	C	S	.	.	I	π-helix	trans	-69.2	-48.6	-171.8	-55.2	165.7	0	0	0	110.7	I310 W333 L337 V357 H361 A369 L370	I310-I366 HydrophobicContact CD1-CD1 3.92Å; W333-I366 HydrophobicContact CH2-CD1 3.91Å; W333-I366 HydrophobicContact CH2-CG1 4.34Å; W333-I366 HydrophobicContact CZ2-CD1 3.89Å; W333-I366 HydrophobicContact CZ2-CG1 4.03Å; L337-I366 HydrophobicContact CD1-CG1 3.99Å; V357-I366 HydrophobicContact CG1-CD1 3.86Å; H361-I366 HydrophobicContact CB-CD1 4.11Å; H361-I366 WeakPolarHBondContact O-CG1 3.39Å; H361-I366 PolarHBondContact O-N 2.78Å; I366-A369 PolarHBondContact O-N 2.77Å; I366-L370 HydrophobicContact CG2-CD1 3.82Å; I366-L370 HydrophobicContact CG2-CG 4.23Å; I366-L370 WeakPolarHBondContact O-CB 3.28Å; I366-L370 WeakPolarHBondContact O-CG 3.37Å; I366-L370 PolarHBondContact O-N 3.11Å
367	K	98.8	Very high	98.7	Very high	47 Å²	47	48.3 Å²	48.3	20%	0.204	27%	0.267	C	S	.	.	H	α-helix	trans	-64	-47.4	-179	178.9	-167.6	-169.4	176.1	0	111.8	Y362 E363 A369 L370 Q371 C377	Y362-K367 HydrophobicContact CD1-CD 4.32Å; Y362-K367 HydrophobicContact CD2-CB 4.04Å; Y362-K367 HydrophobicContact CE1-CB 4.27Å; Y362-K367 HydrophobicContact CE1-CD 3.69Å; Y362-K367 HydrophobicContact CE1-CG 4.29Å; Y362-K367 HydrophobicContact CE2-CB 3.75Å; Y362-K367 HydrophobicContact CE2-CG 4.23Å; Y362-K367 HydrophobicContact CG-CB 4.42Å; Y362-K367 WeakPolarHBondContact O-CB 3.29Å; Y362-K367 PolarHBondContact O-N 3.49Å; E363-K367 IonicContact OE1-NZ 2.97Å; E363-K367 PolarHBondContact OE1-NZ 3.17Å; E363-K367 WeakPolarHBondContact OE2-CD 3.36Å; E363-K367 IonicContact OE2-NZ 3.87Å; E363-K367 PolarHBondContact OE2-NZ 3.22Å; K367-A369 VanDerWaalsContact C-N 3.34Å; K367-A369 PolarHBondContact O-N 3.49Å; K367-L370 PolarHBondContact O-N 2.62Å; K367-Q371 WeakPolarHBondContact O-CB 3.43Å; K367-Q371 VanDerWaalsContact O-CG 3.26Å; K367-Q371 WeakPolarHBondContact O-CG 3.32Å; K367-Q371 PolarHBondContact O-N 3.07Å; K367-C377 HydrophobicContact CG-CB 4.3Å
368	P	98.8	Very high	98.6	Very high	58 Å²	58	50.8 Å²	50.8	38%	0.377	28%	0.279	S	S	.	.	H	α-helix	trans	-57.2	-41.4	170.8	-27.4	35.8	0	0	0	113.9	Q371 A372	P368-Q371 PolarHBondContact O-N 3.38Å; P368-A372 WeakPolarHBondContact O-CB 3.39Å; P368-A372 PolarHBondContact O-N 3.01Å
369	A	98.8	Very high	98.6	Very high	25 Å²	25	52.7 Å²	52.7	21%	0.207	29%	0.286	C	S	.	.	H	α-helix	trans	-66.2	-45.5	179.1	0	0	0	0	0	112.4	L341 E365 I366 K367 A372 L373	L341-A369 HydrophobicContact CD1-CB 3.69Å; L341-A369 HydrophobicContact CD2-CB 3.77Å; L341-A369 HydrophobicContact CG-CB 4.41Å; E365-A369 VanDerWaalsContact O-CB 3.29Å; E365-A369 WeakPolarHBondContact O-CB 3.35Å; E365-A369 PolarHBondContact O-N 2.72Å; E365-A369 VanDerWaalsContact O-N 3.09Å; I366-A369 PolarHBondContact O-N 2.77Å; K367-A369 VanDerWaalsContact C-N 3.34Å; K367-A369 PolarHBondContact O-N 3.49Å; A369-A372 PolarHBondContact O-N 3.48Å; A369-L373 WeakPolarHBondContact O-CG 3.3Å; A369-L373 PolarHBondContact O-N 2.9Å; A369-L373 VanDerWaalsContact O-N 3.13Å
370	L	98.8	Very high	98.6	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-67.3	-36.4	176.7	-66.2	179.3	0	0	0	112	I344 L352 L354 I366 K367 L373 G374 Y375 T393	I344-L370 HydrophobicContact CG2-CD2 3.93Å; L352-L370 HydrophobicContact CD1-CD1 4.36Å; L352-L370 HydrophobicContact CD1-CD2 3.88Å; L354-L370 HydrophobicContact CD1-CD1 4.26Å; I366-L370 HydrophobicContact CG2-CD1 3.82Å; I366-L370 HydrophobicContact CG2-CG 4.23Å; I366-L370 WeakPolarHBondContact O-CB 3.28Å; I366-L370 WeakPolarHBondContact O-CG 3.37Å; I366-L370 PolarHBondContact O-N 3.11Å; K367-L370 PolarHBondContact O-N 2.62Å; L370-L373 CarbonylContact O-C 3.44Å; L370-L373 WeakPolarHBondContact O-CA 3.36Å; L370-L373 PolarHBondContact O-N 2.96Å; L370-L373 VanDerWaalsContact O-N 3.13Å; L370-G374 PolarHBondContact O-N 3.41Å; L370-Y375 WeakPolarHBondContact O-CB 3.45Å; L370-Y375 WeakPolarHBondContact O-CD2 3.37Å; L370-Y375 PolarHBondContact O-N 3.13Å; L370-T393 HydrophobicContact CD1-CG2 3.89Å
371	Q	98.8	Very high	98.7	Very high	107 Å²	107	49.2 Å²	49.2	50%	0.5	27%	0.266	S	S	.	.	H	α-helix	trans	-63.6	-39.1	172.2	-75.6	177.6	-29.5	0	0	112.1	K367 P368 L373 G374	K367-Q371 WeakPolarHBondContact O-CB 3.43Å; K367-Q371 VanDerWaalsContact O-CG 3.26Å; K367-Q371 WeakPolarHBondContact O-CG 3.32Å; K367-Q371 PolarHBondContact O-N 3.07Å; P368-Q371 PolarHBondContact O-N 3.38Å; Q371-L373 PolarHBondContact O-N 3.42Å; Q371-G374 PolarHBondContact O-N 2.87Å
372	A	98.6	Very high	98.7	Very high	90 Å²	90	50 Å²	50	74%	0.744	27%	0.268	S	S	*	.	H	α-helix	trans	-65.8	-23.5	173.2	0	0	0	0	0	113.4	P368 A369 G374	P368-A372 WeakPolarHBondContact O-CB 3.39Å; P368-A372 PolarHBondContact O-N 3.01Å; A369-A372 PolarHBondContact O-N 3.48Å; A372-G374 VanDerWaalsContact C-N 3.32Å
373	L	98.3	Very high	98.6	Very high	59 Å²	59	50.7 Å²	50.7	31%	0.309	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	6	170	-63.4	174.4	0	0	0	113.4	Q345 A369 L370 Q371 Y375	Q345-L373 HydrophobicContact CB-CD1 4.19Å; Q345-L373 HydrophobicContact CG-CD1 4.44Å; Q345-L373 HydrophobicContact CG-CD2 4.02Å; A369-L373 WeakPolarHBondContact O-CG 3.3Å; A369-L373 PolarHBondContact O-N 2.9Å; A369-L373 VanDerWaalsContact O-N 3.13Å; L370-L373 CarbonylContact O-C 3.44Å; L370-L373 WeakPolarHBondContact O-CA 3.36Å; L370-L373 PolarHBondContact O-N 2.96Å; L370-L373 VanDerWaalsContact O-N 3.13Å; Q371-L373 PolarHBondContact O-N 3.42Å; L373-Y375 HydrophobicContact CB-CD2 3.76Å; L373-Y375 HydrophobicContact CB-CE2 3.77Å; L373-Y375 WeakPolarHBondContact O-CD2 3.4Å; L373-Y375 WeakPolarHBondContact O-CE2 3.1Å
374	G	98.6	Very high	98.5	Very high	31 Å²	31	49.7 Å²	49.7	32%	0.32	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.5	8.7	174.3	0	0	0	0	0	116.2	L370 Q371 A372 S396	L370-G374 PolarHBondContact O-N 3.41Å; Q371-G374 PolarHBondContact O-N 2.87Å; A372-G374 VanDerWaalsContact C-N 3.32Å; G374-S396 PolarHBondContact O-N 3.34Å; G374-S396 PolarHBondContact O-OG 3.12Å
375	Y	98.8	Very high	98.3	Very high	5 Å²	5	53.7 Å²	53.7	2%	0.02	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	132.6	-178.6	-62.9	-107.9	0	0	0	112.1	D348 A349 L352 L370 L373 T393 F394 K395	D348-Y375 PolarHBondContact OD1-OH 3.13Å; A349-Y375 WeakPolarHBondContact O-CE1 3.44Å; A349-Y375 PolarHBondContact O-OH 3.27Å; L352-Y375 HydrophobicContact CD1-CD1 4.3Å; L352-Y375 HydrophobicContact CD1-CE1 4.04Å; L352-Y375 HydrophobicContact CD2-CE1 4.2Å; L352-Y375 HydrophobicContact CG-CD1 4.22Å; L352-Y375 HydrophobicContact CG-CE1 3.82Å; L370-Y375 WeakPolarHBondContact O-CB 3.45Å; L370-Y375 WeakPolarHBondContact O-CD2 3.37Å; L370-Y375 PolarHBondContact O-N 3.13Å; L373-Y375 HydrophobicContact CB-CD2 3.76Å; L373-Y375 HydrophobicContact CB-CE2 3.77Å; L373-Y375 WeakPolarHBondContact O-CD2 3.4Å; L373-Y375 WeakPolarHBondContact O-CE2 3.1Å; Y375-T393 WeakPolarHBondContact CD1-OG1 3.49Å; Y375-F394 CarbonylContact C-O 3.58Å; Y375-F394 VanDerWaalsContact CA-O 3.3Å; Y375-F394 WeakPolarHBondContact CA-O 3.14Å; Y375-K395 HydrophobicContact CD1-CG 4.13Å; Y375-K395 HydrophobicContact CE1-CG 3.75Å; Y375-K395 HydrophobicContact CE2-CG 4.18Å; Y375-K395 WeakPolarHBondContact OH-CE 3.36Å
376	Q	98.6	Very high	98.3	Very high	84 Å²	84	53.5 Å²	53.5	39%	0.393	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	145.5	156.3	-74.1	174.9	18.8	0	0	108.5	T393 F394	Q376-T393 CarbonylContact O-C 3.51Å; Q376-T393 WeakPolarHBondContact O-CA 3.16Å; Q376-T393 VanDerWaalsContact O-CB 3.26Å; Q376-T393 WeakPolarHBondContact O-CB 2.9Å; Q376-F394 HydrophobicContact CB-CD2 4.26Å; Q376-F394 HydrophobicContact CB-CE1 4.13Å; Q376-F394 HydrophobicContact CB-CE2 3.63Å; Q376-F394 HydrophobicContact CB-CZ 3.52Å; Q376-F394 HydrophobicContact CG-CE2 4.3Å; Q376-F394 HydrophobicContact CG-CZ 4.46Å; Q376-F394 PolarHBondContact N-O 2.97Å; Q376-F394 PolarHBondContact O-N 3.32Å; Q376-F394 VanDerWaalsContact OE1-CE2 3.27Å
377	C	98.6	Very high	98.2	Very high	15 Å²	15	54.4 Å²	54.4	10%	0.101	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	109	-167.5	-60	0	0	0	0	111.5	Y362 K367 T393	Y362-C377 HydrophobicContact CE2-CB 4.5Å; Y362-C377 VanDerWaalsContact OH-CB 3.31Å; Y362-C377 WeakPolarHBondContact OH-CB 3.03Å; Y362-C377 PolarHBondContact OH-O 2.83Å; Y362-C377 VanDerWaalsContact OH-O 3.13Å; K367-C377 HydrophobicContact CG-CB 4.3Å; C377-T393 HydrophobicContact CB-CG2 3.83Å
378	E	98.8	Very high	98.2	Very high	53 Å²	53	52.2 Å²	52.2	25%	0.248	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	134.2	174.3	-69.2	-64	132.5	0	0	109.7	A391 I392 F394 L401 S404 M424 V426	E378-A391 CarbonylContact O-C 3.58Å; E378-A391 VanDerWaalsContact O-CA 3.25Å; E378-A391 WeakPolarHBondContact O-CA 3.47Å; E378-I392 WeakPolarHBondContact CB-O 3.46Å; E378-I392 PolarHBondContact N-O 2.97Å; E378-I392 PolarHBondContact O-N 2.92Å; E378-F394 HydrophobicContact CG-CE1 4.33Å; E378-L401 HydrophobicContact CG-CD2 4.19Å; E378-S404 VanDerWaalsContact OE2-CB 3.23Å; E378-S404 WeakPolarHBondContact OE2-CB 3.34Å; E378-S404 PolarHBondContact OE2-OG 3.26Å; E378-M424 HydrophobicContact CB-CE 3.79Å; E378-V426 HydrophobicContact CB-CG1 4.19Å; E378-V426 HydrophobicContact CG-CG1 4.13Å
379	Y	98.8	Very high	98.2	Very high	42 Å²	42	49.5 Å²	49.5	17%	0.165	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	139.6	-174.2	171.5	-115.6	0	0	0	113	V357 E359 Y362 K381 C390 A391	V357-Y379 HydrophobicContact CB-CD2 4.48Å; V357-Y379 HydrophobicContact CB-CE2 4.03Å; V357-Y379 HydrophobicContact CG1-CE2 4.44Å; V357-Y379 WeakPolarHBondContact O-CE2 3.26Å; V357-Y379 PolarHBondContact O-OH 3.02Å; E359-Y379 HydrophobicContact CB-CE1 4.47Å; E359-Y379 HydrophobicContact CG-CE1 4.47Å; Y362-Y379 AromaticContact CD1-CD1 3.45Å; Y362-Y379 HydrophobicContact CD1-CD1 3.45Å; Y362-Y379 VanDerWaalsContact CD1-CD1 3.45Å; Y362-Y379 HydrophobicContact CD1-CD2 4.44Å; Y362-Y379 AromaticContact CD1-CE1 3.93Å; Y362-Y379 HydrophobicContact CD1-CE1 3.93Å; Y362-Y379 AromaticContact CD1-CG 3.74Å; Y362-Y379 HydrophobicContact CD1-CG 3.74Å; Y362-Y379 HydrophobicContact CD2-CG 4.48Å; Y362-Y379 AromaticContact CE1-CD1 3.58Å; Y362-Y379 HydrophobicContact CE1-CD1 3.58Å; Y362-Y379 HydrophobicContact CE1-CE1 4.49Å; Y362-Y379 AromaticContact CE1-CG 3.6Å; Y362-Y379 HydrophobicContact CE1-CG 3.6Å; Y362-Y379 HydrophobicContact CE2-CG 4.37Å; Y362-Y379 HydrophobicContact CG-CD1 4.17Å; Y362-Y379 HydrophobicContact CG-CD2 4.46Å; Y362-Y379 HydrophobicContact CG-CE1 4.41Å; Y362-Y379 HydrophobicContact CG-CG 4.19Å; Y362-Y379 AromaticContact CZ-CG 3.95Å; Y362-Y379 WeakPolarHBondContact OH-CB 3.12Å; Y379-K381 HydrophobicContact CE1-CB 3.83Å; Y379-K381 WeakPolarHBondContact OH-CB 3.43Å; Y379-C390 VanDerWaalsContact CD2-O 3.29Å; Y379-C390 WeakPolarHBondContact CD2-O 3.04Å; Y379-A391 HydrophobicContact CD2-CB 4.15Å
380	K	98.7	Very high	98.2	Very high	39 Å²	39	48.4 Å²	48.4	17%	0.17	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	104.6	169.4	-179.5	51.7	176.2	176.9	0	110.6	G389 C390 P406 E408 V422 M424	K380-G389 VanDerWaalsContact O-CA 3.27Å; K380-G389 WeakPolarHBondContact O-CA 3.33Å; K380-C390 PolarHBondContact N-O 2.82Å; K380-C390 PolarHBondContact O-N 2.88Å; K380-P406 HydrophobicContact CB-CB 4.02Å; K380-P406 HydrophobicContact CD-CB 3.58Å; K380-P406 HydrophobicContact CG-CB 3.66Å; K380-E408 WeakPolarHBondContact CE-OE1 3.28Å; K380-E408 IonicContact NZ-OE1 3.93Å; K380-E408 PolarHBondContact NZ-OE1 2.82Å; K380-V422 HydrophobicContact CG-CB 3.97Å; K380-V422 HydrophobicContact CG-CG1 4.17Å; K380-V422 HydrophobicContact CG-CG2 4.04Å; K380-V422 WeakPolarHBondContact O-CG2 3.43Å; K380-M424 HydrophobicContact CB-SD 3.77Å
381	K	98.8	Very high	98.2	Very high	55 Å²	55	48.4 Å²	48.4	24%	0.239	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	146.1	162.9	-166.1	178.9	178.1	175.3	0	111.3	E359 Y379 K386	E359-K381 HydrophobicContact CB-CD 3.85Å; E359-K381 HydrophobicContact CG-CD 4.01Å; E359-K381 WeakPolarHBondContact OE1-CD 3.49Å; E359-K381 IonicContact OE1-NZ 3.94Å; E359-K381 PolarHBondContact OE1-NZ 3.06Å; E359-K381 IonicContact OE2-NZ 2.72Å; E359-K381 PolarHBondContact OE2-NZ 3.26Å; Y379-K381 HydrophobicContact CE1-CB 3.83Å; Y379-K381 WeakPolarHBondContact OH-CB 3.43Å; K381-K386 WeakPolarHBondContact CE-O 3.27Å
382	R	98.6	Very high	98.2	Very high	42 Å²	42	43.3 Å²	43.3	16%	0.158	24%	0.242	C	C	.	.			trans	-58.6	159.6	166.5	-71.6	160.3	69.6	171.1	3.4	111.2	K386 D388 D420 V422	R382-K386 HydrophobicContact CB-CB 3.71Å; R382-D388 VanDerWaalsContact CB-O 3.25Å; R382-D388 WeakPolarHBondContact CB-O 3.31Å; R382-D388 VanDerWaalsContact CD-CG 3.43Å; R382-D388 WeakPolarHBondContact CD-O 3.43Å; R382-D388 WeakPolarHBondContact CD-OD1 3.37Å; R382-D388 WeakPolarHBondContact CD-OD2 3.47Å; R382-D388 VanDerWaalsContact CG-O 3.31Å; R382-D388 WeakPolarHBondContact CG-O 3.41Å; R382-D388 IonicContact CZ-OD1 3.75Å; R382-D388 IonicContact CZ-OD2 3.1Å; R382-D388 PolarHBondContact N-O 2.82Å; R382-D388 IonicContact NE-OD1 3.46Å; R382-D388 IonicContact NE-OD2 2.74Å; R382-D388 IonicContact NH1-OD1 3.68Å; R382-D388 PolarHBondContact NH1-OD1 2.96Å; R382-D388 IonicContact NH1-OD2 3.48Å; R382-D388 PolarHBondContact NH1-OD2 3.37Å; R382-D420 WeakPolarHBondContact CA-O 3.25Å; R382-D420 VanDerWaalsContact CB-O 3.31Å; R382-D420 WeakPolarHBondContact CB-O 3.26Å; R382-V422 HydrophobicContact CG-CG2 3.85Å
383	T	97.8	Very high	98.2	Very high	19 Å²	19	39 Å²	39	12%	0.117	21%	0.207	C	C	.	.	S	Bend	trans	-83.9	179.1	-179.6	48.4	0	0	0	0	112	K385 E408 D420 V422	T383-K385 PolarHBondContact O-N 3.06Å; T383-E408 HydrophobicContact CG2-CB 4.41Å; T383-E408 HydrophobicContact CG2-CG 3.81Å; T383-E408 WeakPolarHBondContact CG2-OE1 3.17Å; T383-D420 PolarHBondContact N-O 3.19Å; T383-D420 VanDerWaalsContact O-CB 3.27Å; T383-D420 WeakPolarHBondContact O-CB 3.45Å; T383-D420 WeakPolarHBondContact OG1-CA 3.43Å; T383-D420 VanDerWaalsContact OG1-CB 3.29Å; T383-D420 WeakPolarHBondContact OG1-CB 3.29Å; T383-D420 PolarHBondContact OG1-O 3.28Å; T383-D420 PolarHBondContact OG1-OD1 3.3Å; T383-V422 HydrophobicContact CG2-CG1 4.47Å
384	G	95.3	Very high	98.2	Very high	69 Å²	69	36.2 Å²	36.2	71%	0.711	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	67	-123.5	175.3	0	0	0	0	0	113.4
385	K	95.6	Very high	98.3	Very high	208 Å²	208	35.6 Å²	35.6	90%	0.904	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.3	34.9	-178.4	-62.7	-169.5	177.4	-170.3	0	112.5	T383	T383-K385 PolarHBondContact O-N 3.06Å
386	K	97.1	Very high	98.2	Very high	70 Å²	70	37.9 Å²	37.9	30%	0.304	20%	0.197	S	C	.	.			trans	-99.2	131.1	178.9	-67.9	-54.6	-172.6	-177.9	0	110.8	K381 R382 D388	K381-K386 WeakPolarHBondContact CE-O 3.27Å; R382-K386 HydrophobicContact CB-CB 3.71Å; K386-D388 VanDerWaalsContact C-N 3.29Å
387	P	97.6	Very high	98.1	Very high	24 Å²	24	38.1 Å²	38.1	16%	0.156	21%	0.208	C	C	.	.			trans	-78.8	-18.8	-169.6	33.9	-36.9	0	0	0	112.1	D314 Q358 E359	D314-P387 HydrophobicContact CB-CB 4.27Å; D314-P387 HydrophobicContact CB-CG 3.67Å; D314-P387 VanDerWaalsContact OD2-CB 3.3Å; D314-P387 WeakPolarHBondContact OD2-CB 3.29Å; Q358-P387 HydrophobicContact CG-CB 4Å; E359-P387 PolarHBondContact N-O 3.01Å
388	D	98.7	Very high	97.9	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	170.4	-165.9	69.1	-66.5	0	0	0	114.1	L315 V357 R382 K386	L315-D388 HydrophobicContact CD1-CB 4.33Å; V357-D388 CarbonylContact O-C 3.53Å; V357-D388 VanDerWaalsContact O-CA 3.31Å; V357-D388 WeakPolarHBondContact O-CA 3.5Å; R382-D388 VanDerWaalsContact CB-O 3.25Å; R382-D388 WeakPolarHBondContact CB-O 3.31Å; R382-D388 VanDerWaalsContact CD-CG 3.43Å; R382-D388 WeakPolarHBondContact CD-O 3.43Å; R382-D388 WeakPolarHBondContact CD-OD1 3.37Å; R382-D388 WeakPolarHBondContact CD-OD2 3.47Å; R382-D388 VanDerWaalsContact CG-O 3.31Å; R382-D388 WeakPolarHBondContact CG-O 3.41Å; R382-D388 IonicContact CZ-OD1 3.75Å; R382-D388 IonicContact CZ-OD2 3.1Å; R382-D388 PolarHBondContact N-O 2.82Å; R382-D388 IonicContact NE-OD1 3.46Å; R382-D388 IonicContact NE-OD2 2.74Å; R382-D388 IonicContact NH1-OD1 3.68Å; R382-D388 PolarHBondContact NH1-OD1 2.96Å; R382-D388 IonicContact NH1-OD2 3.48Å; R382-D388 PolarHBondContact NH1-OD2 3.37Å; K386-D388 VanDerWaalsContact C-N 3.29Å
389	G	98.8	Very high	97.8	Very high	1 Å²	1	38 Å²	38	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	-166.9	-179.6	0	0	0	0	0	114.9	E356 V357 K380	E356-G389 PolarHBondContact N-O 2.87Å; E356-G389 VanDerWaalsContact N-O 3.14Å; V357-G389 PolarHBondContact N-O 3.48Å; V357-G389 PolarHBondContact O-N 3.02Å; K380-G389 VanDerWaalsContact O-CA 3.27Å; K380-G389 WeakPolarHBondContact O-CA 3.33Å
390	C	98.9	Very high	97.7	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.007	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	136	175.1	-65.9	0	0	0	0	110.1	L354 Y379 K380 T448 H449	L354-C390 WeakPolarHBondContact O-CA 3.3Å; Y379-C390 VanDerWaalsContact CD2-O 3.29Å; Y379-C390 WeakPolarHBondContact CD2-O 3.04Å; K380-C390 PolarHBondContact N-O 2.82Å; K380-C390 PolarHBondContact O-N 2.88Å; C390-T448 VanDerWaalsContact SG-C 3.57Å; C390-H449 PolarHBondContact SG-N 2.93Å
391	A	98.9	Very high	97.6	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.008	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	145	170.4	0	0	0	0	0	110.8	L354 V357 Y362 E378 Y379 T393 N447	L354-A391 HydrophobicContact CB-CB 4.37Å; L354-A391 PolarHBondContact N-O 2.8Å; L354-A391 PolarHBondContact O-N 2.77Å; V357-A391 HydrophobicContact CG2-CB 4.08Å; Y362-A391 HydrophobicContact CE2-CB 4.5Å; E378-A391 CarbonylContact O-C 3.58Å; E378-A391 VanDerWaalsContact O-CA 3.25Å; E378-A391 WeakPolarHBondContact O-CA 3.47Å; Y379-A391 HydrophobicContact CD2-CB 4.15Å; A391-T393 HydrophobicContact CB-CG2 4.38Å; A391-N447 PolarHBondContact O-ND2 2.95Å
392	I	98.9	Very high	97.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	118.7	163	-55.2	178.2	0	0	0	106.7	I351 L352 E378 M424 V426 V445 N447	I351-I392 HydrophobicContact CG2-CG2 4.26Å; L352-I392 CarbonylContact O-C 3.57Å; L352-I392 WeakPolarHBondContact O-CA 3.5Å; E378-I392 WeakPolarHBondContact CB-O 3.46Å; E378-I392 PolarHBondContact N-O 2.97Å; E378-I392 PolarHBondContact O-N 2.92Å; I392-M424 HydrophobicContact CD1-CB 4.03Å; I392-M424 HydrophobicContact CD1-CG 4.04Å; I392-M424 HydrophobicContact CG1-CB 4.28Å; I392-M424 HydrophobicContact CG1-CG 4.23Å; I392-V426 HydrophobicContact CB-CG1 4.5Å; I392-V426 HydrophobicContact CB-CG2 4.31Å; I392-V426 HydrophobicContact CD1-CG1 4.33Å; I392-V426 HydrophobicContact CD1-CG2 3.98Å; I392-V426 HydrophobicContact CG2-CG2 3.75Å; I392-V445 HydrophobicContact CD1-CG1 4.43Å; I392-V445 WeakPolarHBondContact CD1-O 3.39Å; I392-V445 HydrophobicContact CG2-CG1 4.21Å; I392-N447 HydrophobicContact CD1-CB 3.73Å; I392-N447 HydrophobicContact CG1-CB 3.58Å
393	T	98.8	Very high	97.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	150.2	177.6	84.1	0	0	0	0	109.7	I351 L352 L370 Y375 Q376 C377 A391	I351-T393 CarbonylContact C-O 3.57Å; I351-T393 WeakPolarHBondContact CA-O 3.29Å; L352-T393 WeakPolarHBondContact CB-OG1 3.19Å; L352-T393 WeakPolarHBondContact CD1-OG1 3.49Å; L352-T393 WeakPolarHBondContact CG-OG1 3.31Å; L352-T393 PolarHBondContact N-O 2.98Å; L352-T393 PolarHBondContact O-N 3.41Å; L370-T393 HydrophobicContact CD1-CG2 3.89Å; Y375-T393 WeakPolarHBondContact CD1-OG1 3.49Å; Q376-T393 CarbonylContact O-C 3.51Å; Q376-T393 WeakPolarHBondContact O-CA 3.16Å; Q376-T393 VanDerWaalsContact O-CB 3.26Å; Q376-T393 WeakPolarHBondContact O-CB 2.9Å; C377-T393 HydrophobicContact CB-CG2 3.83Å; A391-T393 HydrophobicContact CB-CG2 4.38Å
394	F	98.9	Very high	97.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	145.6	-174.8	53.7	-86.8	0	0	0	110.8	D350 I351 Y375 Q376 E378 S396 F399 L401 L428	D350-F394 WeakPolarHBondContact O-CA 3.41Å; I351-F394 HydrophobicContact CG1-CB 4.1Å; Y375-F394 CarbonylContact C-O 3.58Å; Y375-F394 VanDerWaalsContact CA-O 3.3Å; Y375-F394 WeakPolarHBondContact CA-O 3.14Å; Q376-F394 HydrophobicContact CB-CD2 4.26Å; Q376-F394 HydrophobicContact CB-CE1 4.13Å; Q376-F394 HydrophobicContact CB-CE2 3.63Å; Q376-F394 HydrophobicContact CB-CZ 3.52Å; Q376-F394 HydrophobicContact CG-CE2 4.3Å; Q376-F394 HydrophobicContact CG-CZ 4.46Å; Q376-F394 PolarHBondContact N-O 2.97Å; Q376-F394 PolarHBondContact O-N 3.32Å; Q376-F394 VanDerWaalsContact OE1-CE2 3.27Å; E378-F394 HydrophobicContact CG-CE1 4.33Å; F394-S396 PolarHBondContact O-N 3.37Å; F394-F399 HydrophobicContact CB-CD2 4.33Å; F394-F399 HydrophobicContact CD2-CB 3.91Å; F394-L401 HydrophobicContact CE1-CD1 4.22Å; F394-L401 HydrophobicContact CE2-CB 4.44Å; F394-L401 HydrophobicContact CZ-CB 3.9Å; F394-L401 HydrophobicContact CZ-CD1 4.1Å; F394-L401 HydrophobicContact CZ-CG 4.42Å; F394-L428 HydrophobicContact CB-CD1 3.96Å; F394-L428 HydrophobicContact CD1-CD1 4.05Å; F394-L428 HydrophobicContact CD1-CD2 3.74Å; F394-L428 HydrophobicContact CD2-CD2 4.1Å; F394-L428 HydrophobicContact CE1-CD2 3.72Å; F394-L428 HydrophobicContact CE2-CD2 4.05Å; F394-L428 HydrophobicContact CG-CD1 3.92Å; F394-L428 HydrophobicContact CG-CD2 3.96Å; F394-L428 HydrophobicContact CZ-CD2 3.88Å
395	K	98.7	Very high	97.7	Very high	18 Å²	18	39.5 Å²	39.5	8%	0.078	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	120.4	179.9	-67.2	-176.7	-162.8	161.7	0	110.6	D348 D350 Y375 S397 R398 F399	D348-K395 PolarHBondContact O-NZ 3.14Å; D348-K395 WeakPolarHBondContact OD1-CE 3.25Å; D348-K395 IonicContact OD1-NZ 3.54Å; D348-K395 PolarHBondContact OD1-NZ 3.1Å; D348-K395 VanDerWaalsContact OD1-NZ 3.13Å; D348-K395 IonicContact OD2-NZ 3.59Å; D348-K395 PolarHBondContact OD2-NZ 3.48Å; D350-K395 PolarHBondContact O-N 2.82Å; D350-K395 WeakPolarHBondContact OD1-CD 3.27Å; D350-K395 WeakPolarHBondContact OD1-CE 3.34Å; D350-K395 IonicContact OD1-NZ 3.46Å; D350-K395 PolarHBondContact OD1-NZ 3.47Å; Y375-K395 HydrophobicContact CD1-CG 4.13Å; Y375-K395 HydrophobicContact CE1-CG 3.75Å; Y375-K395 HydrophobicContact CE2-CG 4.18Å; Y375-K395 WeakPolarHBondContact OH-CE 3.36Å; K395-S397 PolarHBondContact O-N 3.03Å; K395-R398 HydrophobicContact CB-CB 4.05Å; K395-R398 HydrophobicContact CB-CG 3.69Å; K395-R398 HydrophobicContact CD-CG 4.1Å; K395-R398 PolarHBondContact O-N 2.88Å; K395-F399 PolarHBondContact O-N 2.69Å
396	S	97.5	Very high	97.8	Very high	53 Å²	53	33 Å²	33	37%	0.371	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.2	177.8	55.8	0	0	0	0	114.1	G374 F394 R398 N431	G374-S396 PolarHBondContact O-N 3.34Å; G374-S396 PolarHBondContact O-OG 3.12Å; F394-S396 PolarHBondContact O-N 3.37Å; S396-R398 VanDerWaalsContact C-N 3.29Å; S396-N431 PolarHBondContact O-ND2 3.26Å
397	S	96.5	Very high	97.9	Very high	89 Å²	89	30 Å²	30	62%	0.622	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-15.5	172.7	55.5	0	0	0	0	113.8	K395	K395-S397 PolarHBondContact O-N 3.03Å
398	R	95.1	Very high	97.9	Very high	65 Å²	65	32.7 Å²	32.7	25%	0.245	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-32	-172.8	-56.7	-70.6	-73.6	126.1	10.5	113	F301 D302 D350 K395 S396 N431	F301-R398 VanDerWaalsContact CE2-NH1 3.29Å; D302-R398 PolarHBondContact O-NH2 2.96Å; D350-R398 HydrophobicContact CB-CG 4.44Å; D350-R398 IonicContact OD1-NE 2.82Å; D350-R398 PolarHBondContact OD1-NE 3.34Å; D350-R398 IonicContact OD2-CZ 2.62Å; D350-R398 IonicContact OD2-NE 3.5Å; D350-R398 PolarHBondContact OD2-NE 2.8Å; D350-R398 VanDerWaalsContact OD2-NE 3.1Å; D350-R398 IonicContact OD2-NH2 3.01Å; D350-R398 PolarHBondContact OD2-NH2 3.45Å; K395-R398 HydrophobicContact CB-CB 4.05Å; K395-R398 HydrophobicContact CB-CG 3.69Å; K395-R398 HydrophobicContact CD-CG 4.1Å; K395-R398 PolarHBondContact O-N 2.88Å; S396-R398 VanDerWaalsContact C-N 3.29Å; R398-N431 WeakPolarHBondContact O-CB 3.5Å; R398-N431 PolarHBondContact O-N 2.88Å
399	F	96.4	Very high	97.9	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	153.1	-177.8	-61.8	-81.8	0	0	0	112.8	F301 F303 D350 I351 F394 K395 L428 Q429 P430 N431 I443	F301-F399 AromaticContact CE1-CE1 3.58Å; F301-F399 HydrophobicContact CE1-CE1 3.58Å; F301-F399 AromaticContact CE1-CZ 3.55Å; F301-F399 HydrophobicContact CE1-CZ 3.55Å; F301-F399 HydrophobicContact CZ-CD1 4.42Å; F301-F399 AromaticContact CZ-CE1 3.8Å; F301-F399 HydrophobicContact CZ-CE1 3.8Å; F301-F399 HydrophobicContact CZ-CE2 4.39Å; F301-F399 AromaticContact CZ-CZ 3.79Å; F301-F399 HydrophobicContact CZ-CZ 3.79Å; F303-F399 HydrophobicContact CB-CZ 4.09Å; F303-F399 AromaticContact CD2-CZ 3.88Å; F303-F399 HydrophobicContact CD2-CZ 3.88Å; F303-F399 HydrophobicContact CE2-CZ 4.49Å; F303-F399 AromaticContact CG-CZ 3.97Å; F303-F399 HydrophobicContact CG-CZ 3.97Å; D350-F399 HydrophobicContact CB-CE2 3.99Å; I351-F399 HydrophobicContact CD1-CD2 4.35Å; I351-F399 HydrophobicContact CD1-CE1 4.37Å; I351-F399 HydrophobicContact CD1-CE2 3.66Å; I351-F399 HydrophobicContact CD1-CZ 3.66Å; I351-F399 HydrophobicContact CG1-CD2 4.07Å; I351-F399 HydrophobicContact CG1-CE2 3.59Å; I351-F399 HydrophobicContact CG1-CZ 4.15Å; F394-F399 HydrophobicContact CB-CD2 4.33Å; F394-F399 HydrophobicContact CD2-CB 3.91Å; K395-F399 PolarHBondContact O-N 2.69Å; F399-L428 HydrophobicContact CB-CB 4.24Å; F399-L428 HydrophobicContact CB-CD1 4.46Å; F399-L428 HydrophobicContact CD1-CB 3.94Å; F399-L428 HydrophobicContact CG-CB 4.29Å; F399-L428 HydrophobicContact CG-CD1 4.32Å; F399-Q429 CarbonylContact C-O 3.52Å; F399-Q429 VanDerWaalsContact CA-O 3.3Å; F399-Q429 WeakPolarHBondContact CA-O 3.39Å; F399-P430 HydrophobicContact CD1-CG 4.45Å; F399-P430 HydrophobicContact CE1-CB 4.46Å; F399-P430 HydrophobicContact CE1-CG 4.21Å; F399-N431 VanDerWaalsContact C-OD1 3.29Å; F399-N431 PolarHBondContact N-ND2 3.02Å; F399-N431 PolarHBondContact O-ND2 2.95Å; F399-I443 HydrophobicContact CE1-CD1 4.11Å
400	S	96.1	Very high	97.9	Very high	53 Å²	53	35.5 Å²	35.5	37%	0.371	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	140.6	167.5	-62.9	0	0	0	0	110	L428 Q429 N431	S400-L428 WeakPolarHBondContact O-CA 3.3Å; S400-Q429 PolarHBondContact N-O 2.74Å; S400-Q429 PolarHBondContact O-N 2.91Å; S400-N431 PolarHBondContact N-OD1 2.95Å; S400-N431 VanDerWaalsContact N-OD1 3.13Å; S400-N431 PolarHBondContact OG-OD1 3.23Å
401	L	97.4	Very high	97.8	Very high	61 Å²	61	39.5 Å²	39.5	32%	0.319	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	122.5	178.2	-171.7	62.5	0	0	0	111	E378 F394 S403 V426 L428	E378-L401 HydrophobicContact CG-CD2 4.19Å; F394-L401 HydrophobicContact CE1-CD1 4.22Å; F394-L401 HydrophobicContact CE2-CB 4.44Å; F394-L401 HydrophobicContact CZ-CB 3.9Å; F394-L401 HydrophobicContact CZ-CD1 4.1Å; F394-L401 HydrophobicContact CZ-CG 4.42Å; L401-S403 VanDerWaalsContact CD1-O 3.3Å; L401-S403 WeakPolarHBondContact CD1-O 3.34Å; L401-V426 HydrophobicContact CD1-CB 4.05Å; L401-V426 HydrophobicContact CD1-CG1 4.23Å; L401-L428 HydrophobicContact CD1-CD2 3.78Å
402	V	96.4	Very high	97.5	Very high	79 Å²	79	51.1 Å²	51.1	48%	0.479	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-42.6	174.1	-176.3	0	0	0	0	110.7	V427 Q429	V402-V427 WeakPolarHBondContact CA-O 3.49Å; V402-V427 HydrophobicContact CB-CB 4.18Å; V402-V427 HydrophobicContact CB-CG1 4.01Å; V402-V427 WeakPolarHBondContact CB-O 3.41Å; V402-V427 HydrophobicContact CG1-CG1 4.36Å; V402-V427 HydrophobicContact CG2-CG1 4.41Å; V402-V427 PolarHBondContact N-O 3.16Å; V402-Q429 HydrophobicContact CG2-CB 3.67Å
403	S	97.4	Very high	97.2	Very high	36 Å²	36	55.3 Å²	55.3	25%	0.252	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	155.6	171.7	69.9	0	0	0	0	112.2	L401 V426 V427	L401-S403 VanDerWaalsContact CD1-O 3.3Å; L401-S403 WeakPolarHBondContact CD1-O 3.34Å; S403-V426 CarbonylContact O-C 3.58Å; S403-V426 VanDerWaalsContact O-CA 3.26Å; S403-V426 WeakPolarHBondContact O-CA 3.4Å; S403-V427 PolarHBondContact N-O 3.47Å; S403-V427 PolarHBondContact O-N 3.44Å; S403-V427 WeakPolarHBondContact OG-CG2 3.42Å
404	S	98.4	Very high	97	Very high	40 Å²	40	57 Å²	57	28%	0.28	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	127	175.4	175.8	0	0	0	0	108.8	E378 M424	E378-S404 VanDerWaalsContact OE2-CB 3.23Å; E378-S404 WeakPolarHBondContact OE2-CB 3.34Å; E378-S404 PolarHBondContact OE2-OG 3.26Å; S404-M424 WeakPolarHBondContact OG-CE 3.44Å
405	T	98.7	Very high	96.8	Very high	29 Å²	29	61.1 Å²	61.1	18%	0.178	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	107.5	-173.9	-60.8	0	0	0	0	111	V425 E470 L474	T405-V425 PolarHBondContact N-O 2.84Å; T405-V425 PolarHBondContact O-N 3Å; T405-E470 HydrophobicContact CG2-CG 4.03Å; T405-L474 HydrophobicContact CG2-CD1 4.22Å
406	P	98.6	Very high	96.6	Very high	72 Å²	72	61.3 Å²	61.3	47%	0.468	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	138	173	30	-33.5	0	0	0	111.7	K380 M424	K380-P406 HydrophobicContact CB-CB 4.02Å; K380-P406 HydrophobicContact CD-CB 3.58Å; K380-P406 HydrophobicContact CG-CB 3.66Å; P406-M424 VanDerWaalsContact CA-SD 3.54Å; P406-M424 HydrophobicContact CB-SD 3.89Å
407	V	98.7	Very high	96.6	Very high	6 Å²	6	58.9 Å²	58.9	4%	0.036	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	104.9	-175	-167.1	0	0	0	0	110.3	F409 V422 G423 V425 I466 L467 E470	V407-F409 HydrophobicContact CB-CE1 4.29Å; V407-F409 HydrophobicContact CG1-CD1 4Å; V407-F409 HydrophobicContact CG1-CE1 3.6Å; V407-V422 CarbonylContact O-C 3.55Å; V407-V422 WeakPolarHBondContact O-CA 3.21Å; V407-V422 WeakPolarHBondContact O-CB 3.27Å; V407-G423 PolarHBondContact N-O 2.85Å; V407-G423 PolarHBondContact O-N 2.82Å; V407-V425 HydrophobicContact CG2-CG2 3.92Å; V407-I466 HydrophobicContact CG1-CG2 3.68Å; V407-L467 HydrophobicContact CG2-CD1 4.23Å; V407-E470 HydrophobicContact CG2-CB 4.26Å; V407-E470 HydrophobicContact CG2-CG 3.9Å
408	E	98.6	Very high	96.6	Very high	80 Å²	80	57.2 Å²	57.2	37%	0.374	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	119.1	173.5	-63.6	-171.4	173	0	0	111	K380 T383 R411 V422	K380-E408 WeakPolarHBondContact CE-OE1 3.28Å; K380-E408 IonicContact NZ-OE1 3.93Å; K380-E408 PolarHBondContact NZ-OE1 2.82Å; T383-E408 HydrophobicContact CG2-CB 4.41Å; T383-E408 HydrophobicContact CG2-CG 3.81Å; T383-E408 WeakPolarHBondContact CG2-OE1 3.17Å; E408-R411 PolarHBondContact O-NH1 3Å; E408-V422 HydrophobicContact CG-CG1 4.43Å
409	F	98.6	Very high	96.7	Very high	1 Å²	1	58.6 Å²	58.6	0%	0.004	33%	0.327	C	S	.	.			trans	-83.8	-23.2	177.2	-51.5	-45.1	0	0	0	113.2	V407 R411 N421 L450 Q463 I466 L467	V407-F409 HydrophobicContact CB-CE1 4.29Å; V407-F409 HydrophobicContact CG1-CD1 4Å; V407-F409 HydrophobicContact CG1-CE1 3.6Å; F409-R411 PolarHBondContact O-N 3.25Å; F409-N421 VanDerWaalsContact CD2-C 3.47Å; F409-N421 HydrophobicContact CD2-CB 3.79Å; F409-N421 VanDerWaalsContact CD2-O 3.28Å; F409-N421 WeakPolarHBondContact CD2-O 3.44Å; F409-N421 HydrophobicContact CE2-CB 4.33Å; F409-N421 PolarHBondContact N-O 2.93Å; F409-L450 HydrophobicContact CE2-CD2 4.2Å; F409-Q463 HydrophobicContact CB-CB 4.35Å; F409-Q463 HydrophobicContact CB-CG 3.78Å; F409-Q463 HydrophobicContact CD1-CB 4.36Å; F409-Q463 HydrophobicContact CD2-CB 3.8Å; F409-Q463 HydrophobicContact CD2-CG 3.74Å; F409-Q463 VanDerWaalsContact CE1-O 3.29Å; F409-Q463 WeakPolarHBondContact CE1-O 2.99Å; F409-Q463 HydrophobicContact CE2-CB 4.16Å; F409-Q463 HydrophobicContact CG-CB 3.93Å; F409-Q463 HydrophobicContact CG-CG 3.85Å; F409-I466 HydrophobicContact CB-CD1 4.29Å; F409-I466 HydrophobicContact CD1-CB 3.93Å; F409-I466 HydrophobicContact CD1-CD1 4.2Å; F409-I466 HydrophobicContact CD1-CG2 3.97Å; F409-I466 HydrophobicContact CE1-CB 4.29Å; F409-I466 HydrophobicContact CE1-CG2 4.34Å; F409-L467 HydrophobicContact CE1-CB 3.97Å; F409-L467 HydrophobicContact CZ-CB 4.14Å
410	H	97.8	Very high	96.8	Very high	61 Å²	61	60.4 Å²	60.4	28%	0.282	34%	0.337	S	S	.	.			trans	-66.5	118.4	176.7	-173.1	170	0	0	0	110.1	L417 D420	H410-L417 CarbonylContact C-O 3.6Å; H410-L417 WeakPolarHBondContact CA-O 3.4Å; H410-L417 PolarHBondContact CD2-O 3.42Å; H410-D420 IonicContact CE1-OD1 2.68Å; H410-D420 IonicContact CG-OD1 2.64Å; H410-D420 IonicContact ND1-OD1 3.18Å; H410-D420 PolarHBondContact ND1-OD1 3.13Å
411	R	96.5	Very high	96.9	Very high	84 Å²	84	58.1 Å²	58.1	32%	0.317	32%	0.321	S	S	.	.			trans	-109.1	113.6	172.7	-57.5	-53.7	-170.6	-156.5	2.8	109.9	E408 F409 G413 D414 L417 L540	E408-R411 PolarHBondContact O-NH1 3Å; F409-R411 PolarHBondContact O-N 3.25Å; R411-G413 PolarHBondContact O-N 3.5Å; R411-D414 HydrophobicContact CB-CB 3.91Å; R411-D414 WeakPolarHBondContact O-CB 3.44Å; R411-D414 PolarHBondContact O-N 2.9Å; R411-L417 HydrophobicContact CB-CB 4.11Å; R411-L417 HydrophobicContact CG-CB 4.11Å; R411-L417 HydrophobicContact CG-CD1 3.89Å; R411-L417 PolarHBondContact N-O 2.87Å; R411-L540 HydrophobicContact CG-CD1 3.97Å
412	R	93.3	Very high	97	Very high	245 Å²	245	55.3 Å²	55.3	93%	0.925	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	124.7	-178.2	-66.7	-176.8	-177.1	177	2.2	110.4	D414	R412-D414 VanDerWaalsContact C-N 3.34Å
413	G	92.1	Very high	97.1	Very high	88 Å²	88	51.5 Å²	51.5	91%	0.907	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	-3.4	-178.5	0	0	0	0	0	115.2	R411	R411-G413 PolarHBondContact O-N 3.5Å
414	D	94.9	Very high	97.2	Very high	36 Å²	36	50 Å²	50	19%	0.193	27%	0.272	C	S	.	.			trans	-85.4	135.8	170.5	-167.3	-78.8	0	0	0	111.1	R411 R412 L416 L417	R411-D414 HydrophobicContact CB-CB 3.91Å; R411-D414 WeakPolarHBondContact O-CB 3.44Å; R411-D414 PolarHBondContact O-N 2.9Å; R412-D414 VanDerWaalsContact C-N 3.34Å; D414-L416 WeakPolarHBondContact OD1-CA 3.32Å; D414-L416 WeakPolarHBondContact OD1-CB 3.26Å; D414-L416 PolarHBondContact OD1-N 2.97Å; D414-L417 HydrophobicContact CB-CB 4.18Å; D414-L417 PolarHBondContact OD1-N 2.94Å
415	A	94.1	Very high	97.2	Very high	87 Å²	87	48.1 Å²	48.1	72%	0.719	26%	0.259	S	S	*	.	S	Bend	trans	-83.1	-18.7	-175.9	0	0	0	0	0	113.9	N418	A415-N418 PolarHBondContact O-ND2 3.46Å
416	L	96.4	Very high	97.2	Very high	22 Å²	22	46.7 Å²	46.7	12%	0.115	25%	0.25	C	S	.	.	S	Bend	trans	-92	-52.9	175.5	177.8	69.5	0	0	0	110	D414 N418 D458 I459 A462 I535 W536	D414-L416 WeakPolarHBondContact OD1-CA 3.32Å; D414-L416 WeakPolarHBondContact OD1-CB 3.26Å; D414-L416 PolarHBondContact OD1-N 2.97Å; L416-N418 PolarHBondContact O-N 2.74Å; L416-N418 PolarHBondContact O-OD1 3.36Å; L416-D458 HydrophobicContact CD1-CB 3.9Å; L416-D458 VanDerWaalsContact CD1-OD2 3.26Å; L416-D458 WeakPolarHBondContact CD1-OD2 3.29Å; L416-I459 HydrophobicContact CD1-CG1 3.74Å; L416-I459 HydrophobicContact CG-CG1 4.33Å; L416-I459 VanDerWaalsContact O-CD1 3.24Å; L416-I459 WeakPolarHBondContact O-CD1 3.36Å; L416-I459 WeakPolarHBondContact O-CG1 3.24Å; L416-A462 HydrophobicContact CD2-CB 3.69Å; L416-A462 HydrophobicContact CG-CB 4.42Å; L416-I535 VanDerWaalsContact CD2-O 3.26Å; L416-I535 WeakPolarHBondContact CD2-O 3.3Å; L416-W536 HydrophobicContact CD2-CB 4.08Å
417	L	97.1	Very high	97.2	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	23%	0.23	C	C	.	.			trans	-85.6	52.4	-172.2	-71.4	166.9	0	0	0	112.4	H410 R411 D414 A462 I466 L540	H410-L417 CarbonylContact C-O 3.6Å; H410-L417 WeakPolarHBondContact CA-O 3.4Å; H410-L417 PolarHBondContact CD2-O 3.42Å; R411-L417 HydrophobicContact CB-CB 4.11Å; R411-L417 HydrophobicContact CG-CB 4.11Å; R411-L417 HydrophobicContact CG-CD1 3.89Å; R411-L417 PolarHBondContact N-O 2.87Å; D414-L417 HydrophobicContact CB-CB 4.18Å; D414-L417 PolarHBondContact OD1-N 2.94Å; L417-A462 HydrophobicContact CD2-CB 3.79Å; L417-A462 HydrophobicContact CG-CB 4.34Å; L417-I466 HydrophobicContact CD1-CD1 3.96Å; L417-I466 HydrophobicContact CD2-CD1 3.94Å; L417-L540 HydrophobicContact CD1-CD1 3.74Å; L417-L540 HydrophobicContact CD1-CD2 3.95Å; L417-L540 HydrophobicContact CD1-CG 4.43Å
418	N	95.9	Very high	97.1	Very high	53 Å²	53	43.3 Å²	43.3	28%	0.283	23%	0.228	S	C	.	.			trans	-108.2	39.8	-178.8	58.3	22.9	0	0	0	112.7	A415 L416	A415-N418 PolarHBondContact O-ND2 3.46Å; L416-N418 PolarHBondContact O-N 2.74Å; L416-N418 PolarHBondContact O-OD1 3.36Å
419	R	97.9	Very high	96.8	Very high	94 Å²	94	43.1 Å²	43.1	36%	0.355	23%	0.227	S	C	.	.			trans	-133.5	129.8	-178.2	-66.7	-66.2	178.4	-94.7	2.5	110.8	N421 L451 I459	R419-N421 PolarHBondContact O-N 3.22Å; R419-L451 HydrophobicContact CB-CD1 4.45Å; R419-L451 HydrophobicContact CG-CD1 4.1Å; R419-L451 HydrophobicContact CG-CD2 4.17Å; R419-I459 HydrophobicContact CB-CG2 4.38Å; R419-I459 HydrophobicContact CG-CD1 3.73Å; R419-I459 HydrophobicContact CG-CG2 4.29Å
420	D	98.1	Very high	96.5	Very high	39 Å²	39	43.4 Å²	43.4	21%	0.209	23%	0.229	C	C	.	.			trans	-77.5	9.1	-165.7	-52.7	-72.2	0	0	0	115.8	R382 T383 H410	R382-D420 WeakPolarHBondContact CA-O 3.25Å; R382-D420 VanDerWaalsContact CB-O 3.31Å; R382-D420 WeakPolarHBondContact CB-O 3.26Å; T383-D420 PolarHBondContact N-O 3.19Å; T383-D420 VanDerWaalsContact O-CB 3.27Å; T383-D420 WeakPolarHBondContact O-CB 3.45Å; T383-D420 WeakPolarHBondContact OG1-CA 3.43Å; T383-D420 VanDerWaalsContact OG1-CB 3.29Å; T383-D420 WeakPolarHBondContact OG1-CB 3.29Å; T383-D420 PolarHBondContact OG1-O 3.28Å; T383-D420 PolarHBondContact OG1-OD1 3.3Å; H410-D420 IonicContact CE1-OD1 2.68Å; H410-D420 IonicContact CG-OD1 2.64Å; H410-D420 IonicContact ND1-OD1 3.18Å; H410-D420 PolarHBondContact ND1-OD1 3.13Å
421	N	98.8	Very high	96.1	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.027	23%	0.231	C	C	.	.			trans	-55.7	153.3	172.5	-64.7	92.4	0	0	0	111.3	F409 R419 H449 L450 Q463	F409-N421 VanDerWaalsContact CD2-C 3.47Å; F409-N421 HydrophobicContact CD2-CB 3.79Å; F409-N421 VanDerWaalsContact CD2-O 3.28Å; F409-N421 WeakPolarHBondContact CD2-O 3.44Å; F409-N421 HydrophobicContact CE2-CB 4.33Å; F409-N421 PolarHBondContact N-O 2.93Å; R419-N421 PolarHBondContact O-N 3.22Å; N421-H449 PolarHBondContact ND2-O 2.99Å; N421-L450 VanDerWaalsContact ND2-C 3.3Å; N421-L450 PolarHBondContact ND2-O 3.14Å; N421-Q463 PolarHBondContact OD1-NE2 2.7Å; N421-Q463 VanDerWaalsContact OD1-NE2 3.17Å
422	V	98.8	Very high	95.1	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	159.6	-177.6	-67.5	0	0	0	0	110.4	K380 R382 T383 V407 E408	K380-V422 HydrophobicContact CG-CB 3.97Å; K380-V422 HydrophobicContact CG-CG1 4.17Å; K380-V422 HydrophobicContact CG-CG2 4.04Å; K380-V422 WeakPolarHBondContact O-CG2 3.43Å; R382-V422 HydrophobicContact CG-CG2 3.85Å; T383-V422 HydrophobicContact CG2-CG1 4.47Å; V407-V422 CarbonylContact O-C 3.55Å; V407-V422 WeakPolarHBondContact O-CA 3.21Å; V407-V422 WeakPolarHBondContact O-CB 3.27Å; E408-V422 HydrophobicContact CG-CG1 4.43Å
423	G	98.7	Very high	93.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	174.9	159.1	0	0	0	0	0	111	V407 N447	V407-G423 PolarHBondContact N-O 2.85Å; V407-G423 PolarHBondContact O-N 2.82Å; G423-N447 CarbonylContact C-O 3.5Å; G423-N447 WeakPolarHBondContact CA-O 3.24Å
424	M	98.6	Very high	91.6	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.02	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	136.5	173.5	-167.5	62.4	166.5	0	0	107.7	E378 K380 I392 S404 P406 A446 N447	E378-M424 HydrophobicContact CB-CE 3.79Å; K380-M424 HydrophobicContact CB-SD 3.77Å; I392-M424 HydrophobicContact CD1-CB 4.03Å; I392-M424 HydrophobicContact CD1-CG 4.04Å; I392-M424 HydrophobicContact CG1-CB 4.28Å; I392-M424 HydrophobicContact CG1-CG 4.23Å; S404-M424 WeakPolarHBondContact OG-CE 3.44Å; P406-M424 VanDerWaalsContact CA-SD 3.54Å; P406-M424 HydrophobicContact CB-SD 3.89Å; M424-A446 CarbonylContact O-C 3.51Å; M424-A446 VanDerWaalsContact O-CA 3.31Å; M424-A446 WeakPolarHBondContact O-CA 3.26Å; M424-N447 PolarHBondContact N-O 2.97Å; M424-N447 PolarHBondContact O-N 3.17Å
425	V	98.9	Very high	89.2	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	126.3	174.1	-171.2	0	0	0	0	108.6	T405 V407 V445 A446 L467 E470 I471 L474	T405-V425 PolarHBondContact N-O 2.84Å; T405-V425 PolarHBondContact O-N 3Å; V407-V425 HydrophobicContact CG2-CG2 3.92Å; V425-V445 WeakPolarHBondContact CA-O 3.45Å; V425-A446 HydrophobicContact CG1-CB 4.43Å; V425-A446 HydrophobicContact CG2-CB 4.02Å; V425-L467 HydrophobicContact CG2-CD1 3.91Å; V425-E470 HydrophobicContact CG2-CG 4.34Å; V425-I471 HydrophobicContact CG1-CG1 4.33Å; V425-I471 HydrophobicContact CG2-CG1 4Å; V425-L474 HydrophobicContact CB-CD1 3.8Å; V425-L474 HydrophobicContact CG1-CB 4.43Å; V425-L474 HydrophobicContact CG1-CD1 3.58Å
426	V	98.8	Very high	87.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	149.6	173.5	-60.5	0	0	0	0	109.9	E378 I392 L401 S403 L428 V445	E378-V426 HydrophobicContact CB-CG1 4.19Å; E378-V426 HydrophobicContact CG-CG1 4.13Å; I392-V426 HydrophobicContact CB-CG1 4.5Å; I392-V426 HydrophobicContact CB-CG2 4.31Å; I392-V426 HydrophobicContact CD1-CG1 4.33Å; I392-V426 HydrophobicContact CD1-CG2 3.98Å; I392-V426 HydrophobicContact CG2-CG2 3.75Å; L401-V426 HydrophobicContact CD1-CB 4.05Å; L401-V426 HydrophobicContact CD1-CG1 4.23Å; S403-V426 CarbonylContact O-C 3.58Å; S403-V426 VanDerWaalsContact O-CA 3.26Å; S403-V426 WeakPolarHBondContact O-CA 3.4Å; V426-L428 HydrophobicContact CB-CD2 4.34Å; V426-L428 HydrophobicContact CG2-CD1 4.26Å; V426-L428 HydrophobicContact CG2-CD2 4.02Å; V426-L428 HydrophobicContact CG2-CG 3.93Å; V426-V445 HydrophobicContact CG2-CB 3.91Å; V426-V445 PolarHBondContact N-O 3.27Å; V426-V445 PolarHBondContact O-N 2.89Å
427	V	98	Very high	84.7	Confident	7 Å²	7	43.3 Å²	43.3	4%	0.042	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.6	169.1	-178.9	0	0	0	0	107.5	V402 S403 L474	V402-V427 WeakPolarHBondContact CA-O 3.49Å; V402-V427 HydrophobicContact CB-CB 4.18Å; V402-V427 HydrophobicContact CB-CG1 4.01Å; V402-V427 WeakPolarHBondContact CB-O 3.41Å; V402-V427 HydrophobicContact CG1-CG1 4.36Å; V402-V427 HydrophobicContact CG2-CG1 4.41Å; V402-V427 PolarHBondContact N-O 3.16Å; S403-V427 PolarHBondContact N-O 3.47Å; S403-V427 PolarHBondContact O-N 3.44Å; S403-V427 WeakPolarHBondContact OG-CG2 3.42Å; V427-L474 HydrophobicContact CG2-CB 4.08Å; V427-L474 HydrophobicContact CG2-CD2 4.48Å
428	L	96.5	Very high	82.2	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.1	-175.1	-59.1	-177.9	0	0	0	110.5	I351 F394 F399 S400 L401 V426 S442 I443 V445	I351-L428 HydrophobicContact CD1-CD1 4.02Å; I351-L428 HydrophobicContact CG1-CD1 4.2Å; F394-L428 HydrophobicContact CB-CD1 3.96Å; F394-L428 HydrophobicContact CD1-CD1 4.05Å; F394-L428 HydrophobicContact CD1-CD2 3.74Å; F394-L428 HydrophobicContact CD2-CD2 4.1Å; F394-L428 HydrophobicContact CE1-CD2 3.72Å; F394-L428 HydrophobicContact CE2-CD2 4.05Å; F394-L428 HydrophobicContact CG-CD1 3.92Å; F394-L428 HydrophobicContact CG-CD2 3.96Å; F394-L428 HydrophobicContact CZ-CD2 3.88Å; F399-L428 HydrophobicContact CB-CB 4.24Å; F399-L428 HydrophobicContact CB-CD1 4.46Å; F399-L428 HydrophobicContact CD1-CB 3.94Å; F399-L428 HydrophobicContact CG-CB 4.29Å; F399-L428 HydrophobicContact CG-CD1 4.32Å; S400-L428 WeakPolarHBondContact O-CA 3.3Å; L401-L428 HydrophobicContact CD1-CD2 3.78Å; V426-L428 HydrophobicContact CB-CD2 4.34Å; V426-L428 HydrophobicContact CG2-CD1 4.26Å; V426-L428 HydrophobicContact CG2-CD2 4.02Å; V426-L428 HydrophobicContact CG2-CG 3.93Å; L428-S442 CarbonylContact O-C 3.47Å; L428-S442 VanDerWaalsContact O-CA 3.31Å; L428-S442 WeakPolarHBondContact O-CA 3.32Å; L428-I443 PolarHBondContact N-O 3.32Å; L428-I443 PolarHBondContact O-N 3.44Å; L428-V445 HydrophobicContact CD1-CG2 4.08Å
429	Q	93.7	Very high	80.1	Confident	76 Å²	76	51.4 Å²	51.4	36%	0.355	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	126	171.7	-175.7	173.3	4.3	0	0	109.5	F399 S400 V402	F399-Q429 CarbonylContact C-O 3.52Å; F399-Q429 VanDerWaalsContact CA-O 3.3Å; F399-Q429 WeakPolarHBondContact CA-O 3.39Å; S400-Q429 PolarHBondContact N-O 2.74Å; S400-Q429 PolarHBondContact O-N 2.91Å; V402-Q429 HydrophobicContact CG2-CB 3.67Å
430	P	91.5	Very high	78.2	Confident	7 Å²	7	50.7 Å²	50.7	5%	0.045	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	132.9	172.3	-24.9	36.5	0	0	0	112.5	F301 F399 T432 Y441 I443 L688	F301-P430 HydrophobicContact CD1-CB 4Å; F301-P430 HydrophobicContact CD1-CG 4.24Å; F301-P430 HydrophobicContact CD2-CB 3.94Å; F301-P430 HydrophobicContact CE1-CB 3.86Å; F301-P430 HydrophobicContact CE1-CG 4.18Å; F301-P430 HydrophobicContact CE2-CB 3.78Å; F301-P430 HydrophobicContact CG-CB 4.06Å; F301-P430 HydrophobicContact CZ-CB 3.74Å; F399-P430 HydrophobicContact CD1-CG 4.45Å; F399-P430 HydrophobicContact CE1-CB 4.46Å; F399-P430 HydrophobicContact CE1-CG 4.21Å; P430-T432 VanDerWaalsContact C-N 3.26Å; P430-T432 HydrophobicContact CB-CG2 4.45Å; P430-T432 PolarHBondContact O-N 3.12Å; P430-Y441 WeakPolarHBondContact CD-O 3.38Å; P430-I443 HydrophobicContact CG-CD1 4.38Å; P430-I443 HydrophobicContact CG-CG1 4.4Å; P430-L688 HydrophobicContact CG-CD2 4.21Å
431	N	89.6	Confident	77.1	Confident	58 Å²	58	49.7 Å²	49.7	31%	0.31	32%	0.319	S	S	.	.			trans	-81.3	68	178.1	-66.5	-10.2	0	0	0	111	S396 R398 F399 S400 G433	S396-N431 PolarHBondContact O-ND2 3.26Å; R398-N431 WeakPolarHBondContact O-CB 3.5Å; R398-N431 PolarHBondContact O-N 2.88Å; F399-N431 VanDerWaalsContact C-OD1 3.29Å; F399-N431 PolarHBondContact N-ND2 3.02Å; F399-N431 PolarHBondContact O-ND2 2.95Å; S400-N431 PolarHBondContact N-OD1 2.95Å; S400-N431 VanDerWaalsContact N-OD1 3.13Å; S400-N431 PolarHBondContact OG-OD1 3.23Å; N431-G433 PolarHBondContact O-N 3.08Å
432	T	75.6	Confident	76.7	Confident	51 Å²	51	49.7 Å²	49.7	31%	0.313	32%	0.319	S	S	.	.			trans	-80.5	113.2	172.4	55.8	0	0	0	0	110.4	F301 P430 A434 F693	F301-T432 HydrophobicContact CD2-CG2 3.99Å; P430-T432 VanDerWaalsContact C-N 3.26Å; P430-T432 HydrophobicContact CB-CG2 4.45Å; P430-T432 PolarHBondContact O-N 3.12Å; T432-A434 VanDerWaalsContact C-N 3.32Å; T432-A434 PolarHBondContact O-N 3.24Å; T432-F693 HydrophobicContact CG2-CD1 4.39Å; T432-F693 HydrophobicContact CG2-CE1 3.59Å; T432-F693 HydrophobicContact CG2-CZ 3.89Å
433	G	60.8	Low	76.4	Confident	85 Å²	85	49.6 Å²	49.6	88%	0.876	32%	0.319	S	S	*	.			trans	-71.9	65.9	-168.1	0	0	0	0	0	116.7	N431	N431-G433 PolarHBondContact O-N 3.08Å
434	A	51.7	Low	76.4	Confident	59 Å²	59	49.6 Å²	49.6	49%	0.488	32%	0.319	S	S	.	.			trans	-135	148.4	161.7	0	0	0	0	0	111.2	T432	T432-A434 VanDerWaalsContact C-N 3.32Å; T432-A434 PolarHBondContact O-N 3.24Å
435	A	44.5	Very low	76.4	Confident	87 Å²	87	49.4 Å²	49.4	72%	0.719	32%	0.318	S	S	*	.			trans	-72.2	130	169.2	0	0	0	0	0	110.3
436	Q	49.6	Very low	76.4	Confident	186 Å²	186	49.4 Å²	49.4	87%	0.869	32%	0.318	S	S	*	.			trans	56.7	95.1	148	-63.1	161.5	-24.7	0	0	118.5
437	S	44.8	Very low	76.4	Confident	95 Å²	95	49.4 Å²	49.4	66%	0.664	32%	0.318	S	S	*	.			trans	-160.5	105.4	136.2	54.5	0	0	0	0	113.9	A439	S437-A439 VanDerWaalsContact C-N 3.34Å; S437-A439 PolarHBondContact O-N 2.91Å
438	N	44.9	Very low	76.4	Confident	180 Å²	180	49.1 Å²	49.1	96%	0.963	32%	0.316	S	S	*	.	S	Bend	trans	58.2	-2.5	137.3	-58.3	-0.6	0	0	0	123.1
439	A	51.5	Low	76.6	Confident	45 Å²	45	49.8 Å²	49.8	37%	0.372	32%	0.319	S	S	.	.			trans	-143.5	109.7	164.3	0	0	0	0	0	111.8	S437 Y441	S437-A439 VanDerWaalsContact C-N 3.34Å; S437-A439 PolarHBondContact O-N 2.91Å; A439-Y441 VanDerWaalsContact C-N 3.29Å; A439-Y441 HydrophobicContact CB-CD2 3.75Å; A439-Y441 HydrophobicContact CB-CE2 3.31Å; A439-Y441 VanDerWaalsContact O-CD2 3.26Å; A439-Y441 WeakPolarHBondContact O-CD2 3.47Å; A439-Y441 PolarHBondContact O-N 3.06Å; A439-Y441 VanDerWaalsContact O-N 3.09Å
440	S	59.3	Low	76.8	Confident	78 Å²	78	46.2 Å²	46.2	55%	0.545	30%	0.302	S	S	.	.			trans	-86	67.3	177.9	58.8	0	0	0	0	111.2	S442	S440-S442 PolarHBondContact O-N 3.4Å; S440-S442 PolarHBondContact O-OG 3.4Å; S440-S442 VanDerWaalsContact O-OG 3.05Å
441	Y	74.6	Confident	77.1	Confident	18 Å²	18	46.7 Å²	46.7	7%	0.071	30%	0.304	C	S	.	.			trans	-52.3	130.6	175.8	-66.1	-94.5	0	0	0	110.5	P430 A439 R648 D691 S692 T694	P430-Y441 WeakPolarHBondContact CD-O 3.38Å; A439-Y441 VanDerWaalsContact C-N 3.29Å; A439-Y441 HydrophobicContact CB-CD2 3.75Å; A439-Y441 HydrophobicContact CB-CE2 3.31Å; A439-Y441 VanDerWaalsContact O-CD2 3.26Å; A439-Y441 WeakPolarHBondContact O-CD2 3.47Å; A439-Y441 PolarHBondContact O-N 3.06Å; A439-Y441 VanDerWaalsContact O-N 3.09Å; Y441-R648 VanDerWaalsContact CE1-CZ 3.46Å; Y441-D691 PolarHBondContact OH-O 3.43Å; Y441-S692 WeakPolarHBondContact CD1-O 3.38Å; Y441-S692 WeakPolarHBondContact CD2-O 3.32Å; Y441-S692 VanDerWaalsContact CE2-O 3.26Å; Y441-S692 WeakPolarHBondContact CE2-O 3.16Å; Y441-T694 PolarHBondContact OH-O 2.88Å
442	S	89.9	Confident	77.5	Confident	6 Å²	6	50 Å²	50	4%	0.042	31%	0.313	C	S	.	.			trans	-133	159.6	-174.8	-60.1	0	0	0	0	110.2	L428 S440 N483 P484	L428-S442 CarbonylContact O-C 3.47Å; L428-S442 VanDerWaalsContact O-CA 3.31Å; L428-S442 WeakPolarHBondContact O-CA 3.32Å; S440-S442 PolarHBondContact O-N 3.4Å; S440-S442 PolarHBondContact O-OG 3.4Å; S440-S442 VanDerWaalsContact O-OG 3.05Å; S442-N483 PolarHBondContact N-OD1 2.97Å; S442-N483 VanDerWaalsContact O-CB 3.28Å; S442-N483 WeakPolarHBondContact O-CB 3.26Å; S442-N483 PolarHBondContact O-OD1 3.31Å; S442-N483 VanDerWaalsContact O-OD1 3.11Å; S442-P484 WeakPolarHBondContact O-CD 3.34Å
443	I	93.9	Very high	78.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125	176.4	-47.7	-174.7	0	0	0	107.8	F303 F399 L428 P430 V445 P484 I486 L688	F303-I443 HydrophobicContact CD1-CD1 4.46Å; F303-I443 HydrophobicContact CE1-CD1 3.68Å; F303-I443 HydrophobicContact CE2-CD1 4.19Å; F303-I443 HydrophobicContact CZ-CD1 3.52Å; F399-I443 HydrophobicContact CE1-CD1 4.11Å; L428-I443 PolarHBondContact N-O 3.32Å; L428-I443 PolarHBondContact O-N 3.44Å; P430-I443 HydrophobicContact CG-CD1 4.38Å; P430-I443 HydrophobicContact CG-CG1 4.4Å; I443-V445 HydrophobicContact CG2-CG2 4.1Å; I443-P484 HydrophobicContact CG1-CG 4.35Å; I443-I486 HydrophobicContact CG2-CD1 3.88Å; I443-I486 HydrophobicContact CG2-CG1 4.08Å; I443-L688 HydrophobicContact CD1-CD2 4.45Å
444	C	97.4	Very high	80.1	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	107.2	175.7	-177.5	0	0	0	0	108.6	P484 V485 I486	C444-P484 PolarHBondContact N-O 2.74Å; C444-V485 HydrophobicContact CB-CG2 4.27Å; C444-V485 CarbonylContact O-C 3.57Å; C444-V485 WeakPolarHBondContact O-CA 3.36Å; C444-I486 PolarHBondContact O-N 2.89Å
445	V	98.8	Very high	82.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	123.9	-178.4	-173.3	0	0	0	0	109.4	I351 I392 V425 V426 L428 I443 I486	I351-V445 HydrophobicContact CD1-CG2 4.18Å; I351-V445 HydrophobicContact CG2-CG1 4.22Å; I392-V445 HydrophobicContact CD1-CG1 4.43Å; I392-V445 WeakPolarHBondContact CD1-O 3.39Å; I392-V445 HydrophobicContact CG2-CG1 4.21Å; V425-V445 WeakPolarHBondContact CA-O 3.45Å; V426-V445 HydrophobicContact CG2-CB 3.91Å; V426-V445 PolarHBondContact N-O 3.27Å; V426-V445 PolarHBondContact O-N 2.89Å; L428-V445 HydrophobicContact CD1-CG2 4.08Å; I443-V445 HydrophobicContact CG2-CG2 4.1Å; V445-I486 CarbonylContact C-O 3.54Å; V445-I486 WeakPolarHBondContact CA-O 3.09Å
446	A	98.9	Very high	84.7	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	146.2	178.2	0	0	0	0	0	111.6	M424 V425 I471 I486 L487 C488	M424-A446 CarbonylContact O-C 3.51Å; M424-A446 VanDerWaalsContact O-CA 3.31Å; M424-A446 WeakPolarHBondContact O-CA 3.26Å; V425-A446 HydrophobicContact CG1-CB 4.43Å; V425-A446 HydrophobicContact CG2-CB 4.02Å; A446-I471 HydrophobicContact CB-CD1 3.49Å; A446-I471 VanDerWaalsContact CB-CD1 3.49Å; A446-I471 HydrophobicContact CB-CG1 3.72Å; A446-I486 PolarHBondContact N-O 3.22Å; A446-L487 HydrophobicContact CB-CD1 3.77Å; A446-C488 PolarHBondContact O-N 3.09Å
447	N	98.9	Very high	87	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	144.6	176.7	-176.8	8.8	0	0	0	109.6	C353 L354 Q355 A391 I392 G423 M424 C488	C353-N447 HydrophobicContact CB-CB 4.11Å; L354-N447 PolarHBondContact N-ND2 3.23Å; L354-N447 PolarHBondContact O-ND2 2.83Å; Q355-N447 PolarHBondContact NE2-OD1 2.86Å; A391-N447 PolarHBondContact O-ND2 2.95Å; I392-N447 HydrophobicContact CD1-CB 3.73Å; I392-N447 HydrophobicContact CG1-CB 3.58Å; G423-N447 CarbonylContact C-O 3.5Å; G423-N447 WeakPolarHBondContact CA-O 3.24Å; M424-N447 PolarHBondContact N-O 2.97Å; M424-N447 PolarHBondContact O-N 3.17Å; N447-C488 WeakPolarHBondContact CA-O 3.33Å
448	T	98.9	Very high	89.5	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	156.3	179	-175.3	0	0	0	0	112.1	C390 L450 L467 C488 G489 D490 F491	C390-T448 VanDerWaalsContact SG-C 3.57Å; T448-L450 HydrophobicContact CG2-CD2 4.41Å; T448-L450 HydrophobicContact CG2-CG 4.34Å; T448-L467 HydrophobicContact CG2-CD2 3.64Å; T448-C488 PolarHBondContact N-O 3.12Å; T448-G489 CarbonylContact O-C 3Å; T448-G489 WeakPolarHBondContact O-CA 3.47Å; T448-D490 PolarHBondContact O-N 3.28Å; T448-D490 VanDerWaalsContact O-N 3.08Å; T448-F491 HydrophobicContact CG2-CE1 4.02Å; T448-F491 HydrophobicContact CG2-CE2 4.09Å; T448-F491 HydrophobicContact CG2-CZ 3.69Å
449	H	98.8	Very high	92	Very high	15 Å²	15	28.3 Å²	28.3	7%	0.069	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	104.4	158.5	-172.8	158.4	0	0	0	107.1	Q355 E356 C390 N421 D490 N492	Q355-H449 HydrophobicContact CB-CB 4.31Å; Q355-H449 HydrophobicContact CG-CB 4.32Å; E356-H449 IonicContact OE1-CE1 3.13Å; E356-H449 PolarHBondContact OE1-CE1 2.71Å; C390-H449 PolarHBondContact SG-N 2.93Å; N421-H449 PolarHBondContact ND2-O 2.99Å; H449-D490 WeakPolarHBondContact CA-O 3.3Å; H449-D490 IonicContact CE1-OD2 2.87Å; H449-D490 IonicContact NE2-OD2 3.89Å; H449-N492 PolarHBondContact NE2-ND2 3.48Å
450	L	98.8	Very high	94.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.122	C	C	.	.			trans	-71.8	168.5	-178.6	-65.5	-173.5	0	0	0	112.6	F409 N421 T448 Y452 Q463 D490 F491 L499	F409-L450 HydrophobicContact CE2-CD2 4.2Å; N421-L450 VanDerWaalsContact ND2-C 3.3Å; N421-L450 PolarHBondContact ND2-O 3.14Å; T448-L450 HydrophobicContact CG2-CD2 4.41Å; T448-L450 HydrophobicContact CG2-CG 4.34Å; L450-Y452 PolarHBondContact O-N 2.97Å; L450-Y452 VanDerWaalsContact O-N 3.15Å; L450-Q463 HydrophobicContact CD2-CB 3.87Å; L450-D490 PolarHBondContact N-O 3.45Å; L450-F491 HydrophobicContact CD1-CB 4.2Å; L450-F491 HydrophobicContact CD1-CD1 3.6Å; L450-F491 HydrophobicContact CD1-CE1 4.31Å; L450-F491 HydrophobicContact CD1-CG 4.24Å; L450-F491 HydrophobicContact CG-CD1 4.33Å; L450-L499 HydrophobicContact CD1-CD1 4.35Å; L450-L499 HydrophobicContact CD1-CD2 4.46Å
451	L	98.7	Very high	96.2	Very high	17 Å²	17	22.4 Å²	22.4	9%	0.089	10%	0.096	C	C	.	.			trans	-59.1	120	178.7	176.6	65.8	0	0	0	111.9	R419 N453 R456 I459 K460	R419-L451 HydrophobicContact CB-CD1 4.45Å; R419-L451 HydrophobicContact CG-CD1 4.1Å; R419-L451 HydrophobicContact CG-CD2 4.17Å; L451-N453 HydrophobicContact CD1-CB 4.21Å; L451-N453 HydrophobicContact CD2-CB 4.14Å; L451-N453 HydrophobicContact CG-CB 3.99Å; L451-N453 PolarHBondContact O-N 2.96Å; L451-R456 HydrophobicContact CD2-CB 3.63Å; L451-R456 HydrophobicContact CD2-CG 4.43Å; L451-I459 HydrophobicContact CB-CG2 4.41Å; L451-I459 HydrophobicContact CD2-CB 3.79Å; L451-I459 HydrophobicContact CD2-CD1 3.94Å; L451-I459 HydrophobicContact CD2-CG1 4.37Å; L451-I459 HydrophobicContact CD2-CG2 3.83Å; L451-K460 HydrophobicContact CB-CG 4.34Å; L451-K460 WeakPolarHBondContact O-CE 3.31Å; L451-K460 PolarHBondContact O-NZ 2.82Å
452	Y	97.6	Very high	97.3	Very high	127 Å²	127	21.6 Å²	21.6	50%	0.498	9%	0.093	S	C	.	.			trans	-49.9	-51	173.9	174.8	-92.3	0	0	0	113.5	L450 P454 K460 N492 Q521	L450-Y452 PolarHBondContact O-N 2.97Å; L450-Y452 VanDerWaalsContact O-N 3.15Å; Y452-P454 VanDerWaalsContact O-N 3.15Å; Y452-K460 PolarHBondContact O-NZ 3.38Å; Y452-N492 WeakPolarHBondContact CA-OD1 3.3Å; Y452-N492 WeakPolarHBondContact CD2-OD1 3.39Å; Y452-Q521 PolarHBondContact O-NE2 2.85Å; Y452-Q521 PolarHBondContact O-OE1 3.23Å
453	N	96.6	Very high	97.7	Very high	63 Å²	63	21.3 Å²	21.3	34%	0.337	9%	0.091	S	C	.	.			trans	-49.1	114.4	-165.2	-171.8	-49.9	0	0	0	113.1	L451 R455 R456 K460	L451-N453 HydrophobicContact CD1-CB 4.21Å; L451-N453 HydrophobicContact CD2-CB 4.14Å; L451-N453 HydrophobicContact CG-CB 3.99Å; L451-N453 PolarHBondContact O-N 2.96Å; N453-R455 PolarHBondContact O-N 3.18Å; N453-R455 VanDerWaalsContact O-N 3.17Å; N453-R455 WeakPolarHBondContact OD1-CB 3.44Å; N453-R455 PolarHBondContact OD1-N 3.12Å; N453-R456 PolarHBondContact O-N 2.72Å; N453-K460 WeakPolarHBondContact O-CE 3.45Å
454	P	94.8	Very high	98	Very high	13 Å²	13	21.3 Å²	21.3	8%	0.084	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-20	-173.2	27.2	-36	0	0	0	113.5	Y452 R456 N516 Q521 E522	Y452-P454 VanDerWaalsContact O-N 3.15Å; P454-R456 VanDerWaalsContact C-N 3.33Å; P454-R456 PolarHBondContact O-N 3.13Å; P454-N516 VanDerWaalsContact O-CA 3.32Å; P454-N516 WeakPolarHBondContact O-CA 3.16Å; P454-Q521 VanDerWaalsContact CA-OE1 3.27Å; P454-Q521 HydrophobicContact CB-CB 3.78Å; P454-E522 HydrophobicContact CB-CB 4.32Å; P454-E522 HydrophobicContact CB-CG 3.81Å; P454-E522 VanDerWaalsContact CG-CD 3.46Å; P454-E522 HydrophobicContact CG-CG 3.72Å
455	R	94.8	Very high	98	Very high	130 Å²	130	21.3 Å²	21.3	49%	0.491	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	5.4	-176	-61	169.2	-175.6	-171.4	7.9	113.3	N453 I515 N516 E522	N453-R455 PolarHBondContact O-N 3.18Å; N453-R455 VanDerWaalsContact O-N 3.17Å; N453-R455 WeakPolarHBondContact OD1-CB 3.44Å; N453-R455 PolarHBondContact OD1-N 3.12Å; R455-I515 WeakPolarHBondContact O-CG2 3.34Å; R455-N516 HydrophobicContact CG-CB 4.48Å; R455-E522 IonicContact CZ-OE2 3.31Å; R455-E522 IonicContact NE-OE1 3.18Å; R455-E522 IonicContact NE-OE2 3.59Å; R455-E522 PolarHBondContact NE-OE2 3.14Å; R455-E522 IonicContact NH2-OE1 3.36Å; R455-E522 IonicContact NH2-OE2 3.87Å; R455-E522 PolarHBondContact NH2-OE2 2.75Å
456	R	96.6	Very high	98	Very high	64 Å²	64	21.3 Å²	21.3	24%	0.242	9%	0.091	C	C	.	.			trans	-128.7	47.5	-174.3	-65.2	-55	-53.1	-90.8	9.6	113.6	L451 N453 P454 D458 I459 K460	L451-R456 HydrophobicContact CD2-CB 3.63Å; L451-R456 HydrophobicContact CD2-CG 4.43Å; N453-R456 PolarHBondContact O-N 2.72Å; P454-R456 VanDerWaalsContact C-N 3.33Å; P454-R456 PolarHBondContact O-N 3.13Å; R456-D458 WeakPolarHBondContact CA-OD1 3.49Å; R456-D458 IonicContact CZ-OD1 3.51Å; R456-D458 IonicContact CZ-OD2 2.91Å; R456-D458 IonicContact NE-OD1 2.71Å; R456-D458 PolarHBondContact NE-OD1 3.17Å; R456-D458 IonicContact NE-OD2 3.59Å; R456-D458 PolarHBondContact NE-OD2 3.19Å; R456-D458 IonicContact NH2-OD1 3.66Å; R456-D458 IonicContact NH2-OD2 2.97Å; R456-D458 PolarHBondContact NH2-OD2 3.15Å; R456-D458 PolarHBondContact O-N 2.87Å; R456-I459 HydrophobicContact CB-CB 4.42Å; R456-I459 HydrophobicContact CB-CD1 4.32Å; R456-I459 HydrophobicContact CB-CG1 4.32Å; R456-I459 VanDerWaalsContact CZ-CD1 3.45Å; R456-I459 PolarHBondContact O-N 2.93Å; R456-K460 PolarHBondContact O-N 3.33Å; R456-K460 VanDerWaalsContact O-N 3.16Å
457	G	97.5	Very high	98	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.9	-21.1	172.3	0	0	0	0	0	114.9	I459 K460 L461 I515	G457-I459 VanDerWaalsContact C-N 3.32Å; G457-K460 PolarHBondContact O-N 3.01Å; G457-L461 WeakPolarHBondContact O-CB 3.25Å; G457-L461 WeakPolarHBondContact O-CG 3.29Å; G457-L461 PolarHBondContact O-N 2.82Å; G457-I515 VanDerWaalsContact CA-O 3.3Å; G457-I515 WeakPolarHBondContact CA-O 3.35Å; G457-I515 PolarHBondContact N-O 2.72Å; G457-I515 VanDerWaalsContact N-O 3.08Å
458	D	97.7	Very high	98	Very high	18 Å²	18	21.5 Å²	21.5	10%	0.096	9%	0.092	C	C	.	.	H	α-helix	trans	-59.4	-42.8	168.5	60.3	-30.1	0	0	0	111.3	L416 R456 A462 I515 L531	L416-D458 HydrophobicContact CD1-CB 3.9Å; L416-D458 VanDerWaalsContact CD1-OD2 3.26Å; L416-D458 WeakPolarHBondContact CD1-OD2 3.29Å; R456-D458 WeakPolarHBondContact CA-OD1 3.49Å; R456-D458 IonicContact CZ-OD1 3.51Å; R456-D458 IonicContact CZ-OD2 2.91Å; R456-D458 IonicContact NE-OD1 2.71Å; R456-D458 PolarHBondContact NE-OD1 3.17Å; R456-D458 IonicContact NE-OD2 3.59Å; R456-D458 PolarHBondContact NE-OD2 3.19Å; R456-D458 IonicContact NH2-OD1 3.66Å; R456-D458 IonicContact NH2-OD2 2.97Å; R456-D458 PolarHBondContact NH2-OD2 3.15Å; R456-D458 PolarHBondContact O-N 2.87Å; D458-A462 WeakPolarHBondContact O-CB 3.31Å; D458-A462 PolarHBondContact O-N 2.86Å; D458-I515 HydrophobicContact CB-CD1 4.23Å; D458-I515 HydrophobicContact CB-CG1 4.3Å; D458-I515 HydrophobicContact CB-CG2 3.9Å; D458-I515 WeakPolarHBondContact OD1-CG2 3.48Å; D458-L531 HydrophobicContact CB-CD2 3.81Å
459	I	98.5	Very high	98	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-70.2	-45.1	172.3	-59.7	-175.1	0	0	0	110.4	L416 R419 L451 R456 G457 L461 A462 Q463	L416-I459 HydrophobicContact CD1-CG1 3.74Å; L416-I459 HydrophobicContact CG-CG1 4.33Å; L416-I459 VanDerWaalsContact O-CD1 3.24Å; L416-I459 WeakPolarHBondContact O-CD1 3.36Å; L416-I459 WeakPolarHBondContact O-CG1 3.24Å; R419-I459 HydrophobicContact CB-CG2 4.38Å; R419-I459 HydrophobicContact CG-CD1 3.73Å; R419-I459 HydrophobicContact CG-CG2 4.29Å; L451-I459 HydrophobicContact CB-CG2 4.41Å; L451-I459 HydrophobicContact CD2-CB 3.79Å; L451-I459 HydrophobicContact CD2-CD1 3.94Å; L451-I459 HydrophobicContact CD2-CG1 4.37Å; L451-I459 HydrophobicContact CD2-CG2 3.83Å; R456-I459 HydrophobicContact CB-CB 4.42Å; R456-I459 HydrophobicContact CB-CD1 4.32Å; R456-I459 HydrophobicContact CB-CG1 4.32Å; R456-I459 VanDerWaalsContact CZ-CD1 3.45Å; R456-I459 PolarHBondContact O-N 2.93Å; G457-I459 VanDerWaalsContact C-N 3.32Å; I459-L461 VanDerWaalsContact C-N 3.32Å; I459-L461 PolarHBondContact O-N 3.08Å; I459-A462 PolarHBondContact O-N 2.75Å; I459-A462 VanDerWaalsContact O-N 3.12Å; I459-Q463 HydrophobicContact CG2-CG 3.82Å; I459-Q463 WeakPolarHBondContact O-CB 3.38Å; I459-Q463 VanDerWaalsContact O-CG 3.29Å; I459-Q463 WeakPolarHBondContact O-CG 3.4Å; I459-Q463 PolarHBondContact O-N 2.89Å
460	K	98.8	Very high	98	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.2	-42.9	-178.3	-57.1	-173.8	-162.1	-121.7	0	112.2	L451 Y452 N453 R456 G457 L464 N492 L499	L451-K460 HydrophobicContact CB-CG 4.34Å; L451-K460 WeakPolarHBondContact O-CE 3.31Å; L451-K460 PolarHBondContact O-NZ 2.82Å; Y452-K460 PolarHBondContact O-NZ 3.38Å; N453-K460 WeakPolarHBondContact O-CE 3.45Å; R456-K460 PolarHBondContact O-N 3.33Å; R456-K460 VanDerWaalsContact O-N 3.16Å; G457-K460 PolarHBondContact O-N 3.01Å; K460-L464 VanDerWaalsContact O-CB 3.27Å; K460-L464 WeakPolarHBondContact O-CB 3.31Å; K460-L464 PolarHBondContact O-N 3.18Å; K460-N492 PolarHBondContact NZ-O 2.83Å; K460-L499 HydrophobicContact CB-CD1 3.56Å; K460-L499 HydrophobicContact CD-CD1 4.39Å
461	L	98.8	Very high	97.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-67.5	-37.6	176.1	-69.6	172	0	0	0	112.5	G457 I459 A465 L499 F502 L508 V518 L531 I535 I596	G457-L461 WeakPolarHBondContact O-CB 3.25Å; G457-L461 WeakPolarHBondContact O-CG 3.29Å; G457-L461 PolarHBondContact O-N 2.82Å; I459-L461 VanDerWaalsContact C-N 3.32Å; I459-L461 PolarHBondContact O-N 3.08Å; L461-A465 WeakPolarHBondContact O-CB 3.16Å; L461-A465 PolarHBondContact O-N 2.82Å; L461-L499 HydrophobicContact CD2-CB 4.4Å; L461-L499 HydrophobicContact CD2-CD1 4.18Å; L461-L499 HydrophobicContact CD2-CG 4.19Å; L461-F502 HydrophobicContact CD2-CD1 4.02Å; L461-L508 HydrophobicContact CD1-CD2 3.97Å; L461-L508 HydrophobicContact CD2-CD2 4.05Å; L461-V518 HydrophobicContact CD1-CG1 3.8Å; L461-V518 HydrophobicContact CD1-CG2 4.2Å; L461-V518 HydrophobicContact CD2-CG1 4.19Å; L461-V518 HydrophobicContact CG-CG1 3.75Å; L461-L531 HydrophobicContact CD1-CD1 3.97Å; L461-I535 HydrophobicContact CD1-CD1 3.91Å; L461-I596 HydrophobicContact CD2-CD1 4.21Å
462	A	98.6	Very high	97.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-72.6	-36.3	176.8	0	0	0	0	0	113.1	L416 L417 D458 I459 A465 I466 W536	L416-A462 HydrophobicContact CD2-CB 3.69Å; L416-A462 HydrophobicContact CG-CB 4.42Å; L417-A462 HydrophobicContact CD2-CB 3.79Å; L417-A462 HydrophobicContact CG-CB 4.34Å; D458-A462 WeakPolarHBondContact O-CB 3.31Å; D458-A462 PolarHBondContact O-N 2.86Å; I459-A462 PolarHBondContact O-N 2.75Å; I459-A462 VanDerWaalsContact O-N 3.12Å; A462-A465 PolarHBondContact O-N 2.95Å; A462-I466 WeakPolarHBondContact O-CG1 3.48Å; A462-I466 PolarHBondContact O-N 2.94Å; A462-W536 HydrophobicContact CB-CB 4.27Å; A462-W536 HydrophobicContact CB-CE3 4.08Å
463	Q	98.8	Very high	97.7	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-60.3	-49.6	169.8	-72.6	176.8	-23.4	0	0	110.3	F409 N421 L450 I459 A465 I466 L467	F409-Q463 HydrophobicContact CB-CB 4.35Å; F409-Q463 HydrophobicContact CB-CG 3.78Å; F409-Q463 HydrophobicContact CD1-CB 4.36Å; F409-Q463 HydrophobicContact CD2-CB 3.8Å; F409-Q463 HydrophobicContact CD2-CG 3.74Å; F409-Q463 VanDerWaalsContact CE1-O 3.29Å; F409-Q463 WeakPolarHBondContact CE1-O 2.99Å; F409-Q463 HydrophobicContact CE2-CB 4.16Å; F409-Q463 HydrophobicContact CG-CB 3.93Å; F409-Q463 HydrophobicContact CG-CG 3.85Å; N421-Q463 PolarHBondContact OD1-NE2 2.7Å; N421-Q463 VanDerWaalsContact OD1-NE2 3.17Å; L450-Q463 HydrophobicContact CD2-CB 3.87Å; I459-Q463 HydrophobicContact CG2-CG 3.82Å; I459-Q463 WeakPolarHBondContact O-CB 3.38Å; I459-Q463 VanDerWaalsContact O-CG 3.29Å; I459-Q463 WeakPolarHBondContact O-CG 3.4Å; I459-Q463 PolarHBondContact O-N 2.89Å; Q463-A465 PolarHBondContact O-N 3.13Å; Q463-I466 PolarHBondContact O-N 2.97Å; Q463-L467 PolarHBondContact O-N 3.29Å; Q463-L467 VanDerWaalsContact O-N 3.12Å
464	L	98.7	Very high	97.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.9	-39.2	178.2	177.4	58	0	0	0	112.3	K460 I466 L467 L468 F491 L499 F502 L503	K460-L464 VanDerWaalsContact O-CB 3.27Å; K460-L464 WeakPolarHBondContact O-CB 3.31Å; K460-L464 PolarHBondContact O-N 3.18Å; L464-I466 VanDerWaalsContact C-N 3.29Å; L464-I466 PolarHBondContact O-N 3.29Å; L464-L467 PolarHBondContact O-N 2.88Å; L464-L467 VanDerWaalsContact O-N 3.14Å; L464-L468 HydrophobicContact CD1-CD1 3.94Å; L464-L468 HydrophobicContact CD1-CD2 4.24Å; L464-L468 HydrophobicContact CD1-CG 3.76Å; L464-L468 HydrophobicContact CD2-CD1 4.38Å; L464-L468 HydrophobicContact CG-CD1 3.7Å; L464-L468 HydrophobicContact CG-CG 4.07Å; L464-L468 WeakPolarHBondContact O-CB 3.39Å; L464-L468 VanDerWaalsContact O-CG 3.24Å; L464-L468 WeakPolarHBondContact O-CG 3.07Å; L464-L468 PolarHBondContact O-N 2.92Å; L464-F491 HydrophobicContact CD1-CE1 4.33Å; L464-L499 HydrophobicContact CD2-CD2 4.13Å; L464-L499 HydrophobicContact CD2-CG 4.08Å; L464-F502 HydrophobicContact CD2-CD1 3.73Å; L464-F502 HydrophobicContact CD2-CE1 3.95Å; L464-F502 HydrophobicContact CG-CE1 4.31Å; L464-L503 HydrophobicContact CD1-CD2 3.74Å; L464-L503 HydrophobicContact CD2-CD1 4.26Å; L464-L503 HydrophobicContact CD2-CD2 3.76Å; L464-L503 HydrophobicContact CD2-CG 3.83Å; L464-L503 HydrophobicContact CG-CD2 4.33Å
465	A	98.7	Very high	97.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.8	-35.9	176	0	0	0	0	0	113.1	L461 A462 Q463 A469 W536 C546	L461-A465 WeakPolarHBondContact O-CB 3.16Å; L461-A465 PolarHBondContact O-N 2.82Å; A462-A465 PolarHBondContact O-N 2.95Å; Q463-A465 PolarHBondContact O-N 3.13Å; A465-A469 WeakPolarHBondContact O-CB 3.21Å; A465-A469 PolarHBondContact O-N 3.16Å; A465-W536 HydrophobicContact CB-CD2 4.42Å; A465-W536 HydrophobicContact CB-CE3 4.09Å; A465-W536 HydrophobicContact CB-CH2 3.31Å; A465-W536 HydrophobicContact CB-CZ2 3.7Å; A465-W536 HydrophobicContact CB-CZ3 3.54Å; A465-C546 HydrophobicContact CB-CB 4.45Å
466	I	98.8	Very high	97.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-66.4	-46.1	172.7	-61.6	163.1	0	0	0	110.5	V407 F409 L417 A462 Q463 L464 A469 E470 L540 I542	V407-I466 HydrophobicContact CG1-CG2 3.68Å; F409-I466 HydrophobicContact CB-CD1 4.29Å; F409-I466 HydrophobicContact CD1-CB 3.93Å; F409-I466 HydrophobicContact CD1-CD1 4.2Å; F409-I466 HydrophobicContact CD1-CG2 3.97Å; F409-I466 HydrophobicContact CE1-CB 4.29Å; F409-I466 HydrophobicContact CE1-CG2 4.34Å; L417-I466 HydrophobicContact CD1-CD1 3.96Å; L417-I466 HydrophobicContact CD2-CD1 3.94Å; A462-I466 WeakPolarHBondContact O-CG1 3.48Å; A462-I466 PolarHBondContact O-N 2.94Å; Q463-I466 PolarHBondContact O-N 2.97Å; L464-I466 VanDerWaalsContact C-N 3.29Å; L464-I466 PolarHBondContact O-N 3.29Å; I466-A469 PolarHBondContact O-N 3.04Å; I466-E470 PolarHBondContact O-N 3.27Å; I466-L540 HydrophobicContact CD1-CD1 4.04Å; I466-L540 HydrophobicContact CD1-CD2 4.4Å; I466-L540 HydrophobicContact CG1-CD1 4.09Å; I466-L540 HydrophobicContact CG1-CD2 4Å; I466-L540 HydrophobicContact CG1-CG 4.47Å; I466-I542 HydrophobicContact CB-CD1 4.23Å; I466-I542 HydrophobicContact CG1-CD1 3.89Å
467	L	98.9	Very high	96.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-63.4	-43.5	179.7	-172.9	62.1	0	0	0	112.1	V407 F409 V425 T448 Q463 L464 E470 I471 L487	V407-L467 HydrophobicContact CG2-CD1 4.23Å; F409-L467 HydrophobicContact CE1-CB 3.97Å; F409-L467 HydrophobicContact CZ-CB 4.14Å; V425-L467 HydrophobicContact CG2-CD1 3.91Å; T448-L467 HydrophobicContact CG2-CD2 3.64Å; Q463-L467 PolarHBondContact O-N 3.29Å; Q463-L467 VanDerWaalsContact O-N 3.12Å; L464-L467 PolarHBondContact O-N 2.88Å; L464-L467 VanDerWaalsContact O-N 3.14Å; L467-E470 PolarHBondContact O-N 2.75Å; L467-I471 HydrophobicContact CD1-CD1 4.37Å; L467-I471 HydrophobicContact CG-CD1 3.91Å; L467-I471 VanDerWaalsContact O-CG1 3.25Å; L467-I471 WeakPolarHBondContact O-CG1 3.04Å; L467-I471 PolarHBondContact O-N 2.84Å; L467-L487 HydrophobicContact CD2-CD1 3.86Å
468	L	98.7	Very high	96.2	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.016	11%	0.112	C	C	.	.	H	α-helix	trans	-64.8	-38.8	177.3	-69.5	168.2	0	0	0	112.3	L464 E470 G472 F502 C546 H598 L600	L464-L468 HydrophobicContact CD1-CD1 3.94Å; L464-L468 HydrophobicContact CD1-CD2 4.24Å; L464-L468 HydrophobicContact CD1-CG 3.76Å; L464-L468 HydrophobicContact CD2-CD1 4.38Å; L464-L468 HydrophobicContact CG-CD1 3.7Å; L464-L468 HydrophobicContact CG-CG 4.07Å; L464-L468 WeakPolarHBondContact O-CB 3.39Å; L464-L468 VanDerWaalsContact O-CG 3.24Å; L464-L468 WeakPolarHBondContact O-CG 3.07Å; L464-L468 PolarHBondContact O-N 2.92Å; L468-E470 VanDerWaalsContact C-N 3.33Å; L468-G472 PolarHBondContact O-N 2.98Å; L468-F502 HydrophobicContact CD1-CE1 3.6Å; L468-F502 HydrophobicContact CD1-CZ 3.79Å; L468-C546 HydrophobicContact CB-CB 3.88Å; L468-C546 HydrophobicContact CD1-CB 4.18Å; L468-H598 HydrophobicContact CD1-CB 4.15Å; L468-H598 VanDerWaalsContact CD1-CD2 3.43Å; L468-H598 WeakPolarHBondContact CD1-CD2 3.27Å; L468-L600 HydrophobicContact CD2-CD1 3.55Å
469	A	98.4	Very high	95.5	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-64.4	-38.8	174.7	0	0	0	0	0	111.8	A465 I466 R473 I542 C546 Y548	A465-A469 WeakPolarHBondContact O-CB 3.21Å; A465-A469 PolarHBondContact O-N 3.16Å; I466-A469 PolarHBondContact O-N 3.04Å; A469-R473 WeakPolarHBondContact O-CB 3.32Å; A469-R473 PolarHBondContact O-N 3.12Å; A469-I542 HydrophobicContact CB-CD1 3.76Å; A469-I542 HydrophobicContact CB-CG1 4.13Å; A469-I542 HydrophobicContact CB-CG2 4.18Å; A469-C546 WeakPolarHBondContact CA-O 3.37Å; A469-C546 WeakPolarHBondContact CB-O 3.39Å; A469-C546 PolarHBondContact N-O 2.9Å; A469-Y548 HydrophobicContact CB-CD2 3.98Å; A469-Y548 HydrophobicContact CB-CE2 3.92Å; A469-Y548 HydrophobicContact CB-CG 4.33Å
470	E	98.6	Very high	94.6	Very high	15 Å²	15	29.6 Å²	29.6	7%	0.07	16%	0.163	C	C	.	.	H	α-helix	trans	-70.3	-46.6	176.9	-161	58.4	-132.6	0	0	112.3	T405 V407 V425 I466 L467 L468 G472 R473 L474 Y548	T405-E470 HydrophobicContact CG2-CG 4.03Å; V407-E470 HydrophobicContact CG2-CB 4.26Å; V407-E470 HydrophobicContact CG2-CG 3.9Å; V425-E470 HydrophobicContact CG2-CG 4.34Å; I466-E470 PolarHBondContact O-N 3.27Å; L467-E470 PolarHBondContact O-N 2.75Å; L468-E470 VanDerWaalsContact C-N 3.33Å; E470-G472 VanDerWaalsContact C-N 3.35Å; E470-G472 PolarHBondContact O-N 2.78Å; E470-R473 WeakPolarHBondContact O-CB 3.33Å; E470-R473 PolarHBondContact O-N 2.89Å; E470-R473 IonicContact OE1-CZ 3.12Å; E470-R473 IonicContact OE1-NE 2.76Å; E470-R473 PolarHBondContact OE1-NE 2.96Å; E470-R473 IonicContact OE1-NH2 2.67Å; E470-R473 PolarHBondContact OE1-NH2 3.38Å; E470-R473 IonicContact OE2-NE 3.9Å; E470-L474 HydrophobicContact CG-CD1 4.04Å; E470-L474 PolarHBondContact O-N 3.28Å; E470-Y548 VanDerWaalsContact OE2-CE2 3.24Å; E470-Y548 WeakPolarHBondContact OE2-CE2 2.98Å; E470-Y548 PolarHBondContact OE2-OH 2.81Å
471	I	98.4	Very high	93.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57.4	-49.3	173.5	-67.5	164.6	0	0	0	110.1	V425 A446 L467 R473 L474 S475 V485 L487 L600	V425-I471 HydrophobicContact CG1-CG1 4.33Å; V425-I471 HydrophobicContact CG2-CG1 4Å; A446-I471 HydrophobicContact CB-CD1 3.49Å; A446-I471 VanDerWaalsContact CB-CD1 3.49Å; A446-I471 HydrophobicContact CB-CG1 3.72Å; L467-I471 HydrophobicContact CD1-CD1 4.37Å; L467-I471 HydrophobicContact CG-CD1 3.91Å; L467-I471 VanDerWaalsContact O-CG1 3.25Å; L467-I471 WeakPolarHBondContact O-CG1 3.04Å; L467-I471 PolarHBondContact O-N 2.84Å; I471-R473 PolarHBondContact O-N 3.38Å; I471-L474 PolarHBondContact O-N 3.36Å; I471-L474 VanDerWaalsContact O-N 3.17Å; I471-S475 WeakPolarHBondContact O-CB 3.24Å; I471-S475 PolarHBondContact O-N 2.76Å; I471-S475 PolarHBondContact O-OG 2.89Å; I471-S475 VanDerWaalsContact O-OG 3.1Å; I471-V485 HydrophobicContact CG2-CB 4.42Å; I471-V485 HydrophobicContact CG2-CG1 3.68Å; I471-V485 HydrophobicContact CG2-CG2 3.76Å; I471-L487 HydrophobicContact CD1-CD1 4.02Å; I471-L487 HydrophobicContact CD1-CD2 4.3Å; I471-L600 HydrophobicContact CB-CD1 4.14Å; I471-L600 HydrophobicContact CG2-CD1 3.61Å; I471-L600 HydrophobicContact CG2-CD2 4.19Å
472	G	95.9	Very high	93.3	Very high	4 Å²	4	34.4 Å²	34.4	4%	0.041	19%	0.194	C	C	.	.	H	α-helix	trans	-66.6	-18.8	177.9	0	0	0	0	0	113.9	L468 E470 R476	L468-G472 PolarHBondContact O-N 2.98Å; E470-G472 VanDerWaalsContact C-N 3.35Å; E470-G472 PolarHBondContact O-N 2.78Å; G472-R476 PolarHBondContact O-NE 3.11Å; G472-R476 PolarHBondContact O-NH2 3.39Å
473	R	95.9	Very high	92.9	Very high	126 Å²	126	34.8 Å²	34.8	48%	0.475	20%	0.196	S	C	.	.	H	α-helix	trans	-81.2	-37.7	171.9	-169	-167.7	68.5	75.3	-3.9	111.5	A469 E470 I471 Y548	A469-R473 WeakPolarHBondContact O-CB 3.32Å; A469-R473 PolarHBondContact O-N 3.12Å; E470-R473 WeakPolarHBondContact O-CB 3.33Å; E470-R473 PolarHBondContact O-N 2.89Å; E470-R473 IonicContact OE1-CZ 3.12Å; E470-R473 IonicContact OE1-NE 2.76Å; E470-R473 PolarHBondContact OE1-NE 2.96Å; E470-R473 IonicContact OE1-NH2 2.67Å; E470-R473 PolarHBondContact OE1-NH2 3.38Å; E470-R473 IonicContact OE2-NE 3.9Å; I471-R473 PolarHBondContact O-N 3.38Å; R473-Y548 HydrophobicContact CB-CD2 4.24Å; R473-Y548 HydrophobicContact CB-CE2 4.4Å; R473-Y548 HydrophobicContact CG-CD2 4.49Å
474	L	95.6	Very high	92.6	Very high	22 Å²	22	35 Å²	35	12%	0.115	20%	0.197	C	C	.	.	H	α-helix	trans	-88.6	-25.4	-175.5	-73.8	168	0	0	0	114.2	T405 V425 V427 E470 I471	T405-L474 HydrophobicContact CG2-CD1 4.22Å; V425-L474 HydrophobicContact CB-CD1 3.8Å; V425-L474 HydrophobicContact CG1-CB 4.43Å; V425-L474 HydrophobicContact CG1-CD1 3.58Å; V427-L474 HydrophobicContact CG2-CB 4.08Å; V427-L474 HydrophobicContact CG2-CD2 4.48Å; E470-L474 HydrophobicContact CG-CD1 4.04Å; E470-L474 PolarHBondContact O-N 3.28Å; I471-L474 PolarHBondContact O-N 3.36Å; I471-L474 VanDerWaalsContact O-N 3.17Å
475	S	93.3	Very high	92.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-82.1	-26.2	177	70.9	0	0	0	0	113.3	I471 L477 T482 N483	I471-S475 WeakPolarHBondContact O-CB 3.24Å; I471-S475 PolarHBondContact O-N 2.76Å; I471-S475 PolarHBondContact O-OG 2.89Å; I471-S475 VanDerWaalsContact O-OG 3.1Å; S475-L477 PolarHBondContact O-N 3.16Å; S475-T482 CarbonylContact O-C 3.56Å; S475-T482 WeakPolarHBondContact O-CA 3.35Å; S475-N483 WeakPolarHBondContact O-CB 3.32Å; S475-N483 PolarHBondContact O-N 3.26Å; S475-N483 PolarHBondContact O-ND2 3.1Å
476	R	90.4	Very high	92.4	Very high	105 Å²	105	35.1 Å²	35.1	40%	0.396	20%	0.198	S	C	.	.	B	Isolated β-bridge	trans	-65.8	131.9	-178.3	-104.5	177.8	-76.7	-128.2	-3.5	112	G472 S481 T482 Q547	G472-R476 PolarHBondContact O-NE 3.11Å; G472-R476 PolarHBondContact O-NH2 3.39Å; R476-S481 WeakPolarHBondContact CA-O 3.43Å; R476-T482 HydrophobicContact CG-CG2 3.99Å; R476-Q547 VanDerWaalsContact NH1-NE2 3.12Å
477	L	85.6	Confident	92.4	Very high	39 Å²	39	35.1 Å²	35.1	20%	0.204	20%	0.198	C	C	.	.			trans	-99.2	162.6	178.2	-73.5	171.6	0	0	0	111.2	S475 D479 G480 S481 N483 R648	S475-L477 PolarHBondContact O-N 3.16Å; L477-D479 VanDerWaalsContact CB-OD1 3.24Å; L477-D479 WeakPolarHBondContact CB-OD1 3.32Å; L477-D479 PolarHBondContact O-N 2.87Å; L477-G480 PolarHBondContact O-N 3.14Å; L477-S481 WeakPolarHBondContact CD1-OG 3.49Å; L477-S481 PolarHBondContact N-O 3.01Å; L477-N483 WeakPolarHBondContact CD2-ND2 3.39Å; L477-R648 VanDerWaalsContact CD1-NH1 3.3Å
478	P	84.2	Confident	92.4	Very high	141 Å²	141	35.1 Å²	35.1	92%	0.916	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.9	-178	-24	35.3	0	0	0	115.1	G480	P478-G480 VanDerWaalsContact C-N 3.25Å
479	D	81.1	Confident	92.4	Very high	104 Å²	104	35 Å²	35	56%	0.556	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	0.3	174.7	61.7	4.2	0	0	0	113.4	L477 S481	L477-D479 VanDerWaalsContact CB-OD1 3.24Å; L477-D479 WeakPolarHBondContact CB-OD1 3.32Å; L477-D479 PolarHBondContact O-N 2.87Å; D479-S481 VanDerWaalsContact C-N 3.26Å; D479-S481 VanDerWaalsContact CG-OG 3.26Å; D479-S481 PolarHBondContact O-N 2.7Å; D479-S481 WeakPolarHBondContact OD1-CB 3.5Å; D479-S481 PolarHBondContact OD1-N 3.2Å; D479-S481 PolarHBondContact OD1-OG 3.08Å; D479-S481 PolarHBondContact OD2-OG 3.06Å
480	G	81.2	Confident	92.5	Very high	60 Å²	60	35.1 Å²	35.1	62%	0.619	20%	0.198	S	C	*	.	S	Bend	trans	81.8	-4	-175.6	0	0	0	0	0	114.5	L477 P478	L477-G480 PolarHBondContact O-N 3.14Å; P478-G480 VanDerWaalsContact C-N 3.25Å
481	S	82.6	Confident	92.5	Very high	33 Å²	33	34.4 Å²	34.4	23%	0.231	20%	0.195	C	C	.	.			trans	-75.7	179.8	171.7	79.3	0	0	0	0	111.4	R476 L477 D479	R476-S481 WeakPolarHBondContact CA-O 3.43Å; L477-S481 WeakPolarHBondContact CD1-OG 3.49Å; L477-S481 PolarHBondContact N-O 3.01Å; D479-S481 VanDerWaalsContact C-N 3.26Å; D479-S481 VanDerWaalsContact CG-OG 3.26Å; D479-S481 PolarHBondContact O-N 2.7Å; D479-S481 WeakPolarHBondContact OD1-CB 3.5Å; D479-S481 PolarHBondContact OD1-N 3.2Å; D479-S481 PolarHBondContact OD1-OG 3.08Å; D479-S481 PolarHBondContact OD2-OG 3.06Å
482	T	86.9	Confident	92.5	Very high	68 Å²	68	34.7 Å²	34.7	42%	0.417	20%	0.196	S	C	.	.	B	Isolated β-bridge	trans	-127.7	133.7	176.8	52.3	0	0	0	0	111.2	S475 R476	S475-T482 CarbonylContact O-C 3.56Å; S475-T482 WeakPolarHBondContact O-CA 3.35Å; R476-T482 HydrophobicContact CG-CG2 3.99Å
483	N	89.6	Confident	92.6	Very high	9 Å²	9	34.6 Å²	34.6	5%	0.048	20%	0.195	C	C	.	.			trans	-52.9	143.2	159.2	-74.8	-50.6	0	0	0	110.3	S442 S475 L477 V485	S442-N483 PolarHBondContact N-OD1 2.97Å; S442-N483 VanDerWaalsContact O-CB 3.28Å; S442-N483 WeakPolarHBondContact O-CB 3.26Å; S442-N483 PolarHBondContact O-OD1 3.31Å; S442-N483 VanDerWaalsContact O-OD1 3.11Å; S475-N483 WeakPolarHBondContact O-CB 3.32Å; S475-N483 PolarHBondContact O-N 3.26Å; S475-N483 PolarHBondContact O-ND2 3.1Å; L477-N483 WeakPolarHBondContact CD2-ND2 3.39Å; N483-V485 PolarHBondContact O-N 3.01Å
484	P	92.5	Very high	92.7	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.032	18%	0.179	C	C	.	.			trans	-55.1	138.3	172.8	16.4	-27.2	0	0	0	111.7	S442 I443 C444 S635 R648 L650 L688	S442-P484 WeakPolarHBondContact O-CD 3.34Å; I443-P484 HydrophobicContact CG1-CG 4.35Å; C444-P484 PolarHBondContact N-O 2.74Å; P484-S635 WeakPolarHBondContact CA-OG 3.28Å; P484-R648 VanDerWaalsContact CB-O 3.29Å; P484-R648 WeakPolarHBondContact CB-O 3.34Å; P484-R648 VanDerWaalsContact CD-O 3.28Å; P484-R648 WeakPolarHBondContact CD-O 3.45Å; P484-R648 WeakPolarHBondContact CG-O 3.29Å; P484-L650 HydrophobicContact CB-CD1 4.32Å; P484-L650 HydrophobicContact CB-CD2 4.2Å; P484-L650 HydrophobicContact CB-CG 3.89Å; P484-L650 HydrophobicContact CG-CD2 4.49Å; P484-L688 HydrophobicContact CG-CD1 3.89Å
485	V	96	Very high	92.9	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.018	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	136.6	-179.4	175	0	0	0	0	109.9	C444 I471 N483 L600 L602 Y634 S635	C444-V485 HydrophobicContact CB-CG2 4.27Å; C444-V485 CarbonylContact O-C 3.57Å; C444-V485 WeakPolarHBondContact O-CA 3.36Å; I471-V485 HydrophobicContact CG2-CB 4.42Å; I471-V485 HydrophobicContact CG2-CG1 3.68Å; I471-V485 HydrophobicContact CG2-CG2 3.76Å; N483-V485 PolarHBondContact O-N 3.01Å; V485-L600 HydrophobicContact CG2-CD2 4.48Å; V485-L602 HydrophobicContact CB-CD2 4.15Å; V485-L602 HydrophobicContact CG1-CD2 3.85Å; V485-Y634 VanDerWaalsContact O-CA 3.26Å; V485-Y634 WeakPolarHBondContact O-CA 3.25Å; V485-S635 PolarHBondContact N-OG 3.21Å; V485-S635 PolarHBondContact O-N 2.89Å; V485-S635 PolarHBondContact O-OG 3.2Å
486	I	98.6	Very high	93	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127.7	162.2	-57.8	175.1	0	0	0	107.2	F303 V305 I443 C444 V445 A446 I632 L633 L650 F686	F303-I486 HydrophobicContact CE2-CD1 3.67Å; F303-I486 HydrophobicContact CZ-CD1 3.84Å; V305-I486 HydrophobicContact CG1-CG2 4.41Å; V305-I486 HydrophobicContact CG2-CD1 3.97Å; I443-I486 HydrophobicContact CG2-CD1 3.88Å; I443-I486 HydrophobicContact CG2-CG1 4.08Å; C444-I486 PolarHBondContact O-N 2.89Å; V445-I486 CarbonylContact C-O 3.54Å; V445-I486 WeakPolarHBondContact CA-O 3.09Å; A446-I486 PolarHBondContact N-O 3.22Å; I486-I632 HydrophobicContact CG2-CG2 4.02Å; I486-L633 CarbonylContact C-O 3.59Å; I486-L633 WeakPolarHBondContact CA-O 3.4Å; I486-L650 HydrophobicContact CD1-CD1 3.67Å; I486-L650 HydrophobicContact CG1-CD1 3.48Å; I486-L650 VanDerWaalsContact CG1-CD1 3.48Å; I486-F686 HydrophobicContact CD1-CD2 4.2Å; I486-F686 HydrophobicContact CD1-CE2 3.97Å; I486-F686 HydrophobicContact CG1-CE2 4.39Å
487	L	98.9	Very high	93.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	104.3	178.7	171.8	56.8	0	0	0	109	A446 L467 I471 F491 L503 L602 L633	A446-L487 HydrophobicContact CB-CD1 3.77Å; L467-L487 HydrophobicContact CD2-CD1 3.86Å; I471-L487 HydrophobicContact CD1-CD1 4.02Å; I471-L487 HydrophobicContact CD1-CD2 4.3Å; L487-F491 HydrophobicContact CD1-CZ 3.84Å; L487-F491 HydrophobicContact CD2-CE1 4.3Å; L487-F491 HydrophobicContact CD2-CZ 4.03Å; L487-F491 HydrophobicContact CG-CE1 4.48Å; L487-F491 HydrophobicContact CG-CZ 3.73Å; L487-L503 HydrophobicContact CD2-CD2 3.94Å; L487-L602 HydrophobicContact CB-CD1 4.39Å; L487-L602 HydrophobicContact CD2-CD1 3.8Å; L487-L633 HydrophobicContact CB-CB 4.33Å; L487-L633 PolarHBondContact N-O 3.31Å; L487-L633 PolarHBondContact O-N 2.76Å
488	C	98.9	Very high	94	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	164.5	176.1	-63.7	0	0	0	0	111.2	C353 A446 N447 T448 Y631	C353-C488 HydrophobicContact CB-CB 3.36Å; C353-C488 VanDerWaalsContact SG-SG 3.66Å; A446-C488 PolarHBondContact O-N 3.09Å; N447-C488 WeakPolarHBondContact CA-O 3.33Å; T448-C488 PolarHBondContact N-O 3.12Å; C488-Y631 WeakPolarHBondContact CA-O 3.1Å
489	G	98.7	Very high	94.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	145.4	172.5	168.7	0	0	0	0	0	115.1	S307 T448 F491 D630 Y631	S307-G489 PolarHBondContact OG-N 2.91Å; T448-G489 CarbonylContact O-C 3Å; T448-G489 WeakPolarHBondContact O-CA 3.47Å; G489-F491 VanDerWaalsContact O-CD2 3.32Å; G489-F491 WeakPolarHBondContact O-CD2 3.46Å; G489-D630 WeakPolarHBondContact O-CA 3.41Å; G489-Y631 PolarHBondContact N-O 3.18Å; G489-Y631 PolarHBondContact O-N 2.99Å; G489-Y631 VanDerWaalsContact O-N 3.07Å
490	D	98.9	Very high	95.5	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.016	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	113.6	161.6	-177.8	-15.9	0	0	0	108.2	Q355 T448 H449 L450 N492 H679	Q355-D490 HydrophobicContact CG-CB 4.48Å; T448-D490 PolarHBondContact O-N 3.28Å; T448-D490 VanDerWaalsContact O-N 3.08Å; H449-D490 WeakPolarHBondContact CA-O 3.3Å; H449-D490 IonicContact CE1-OD2 2.87Å; H449-D490 IonicContact NE2-OD2 3.89Å; L450-D490 PolarHBondContact N-O 3.45Å; D490-N492 WeakPolarHBondContact OD1-CA 3.5Å; D490-N492 PolarHBondContact OD1-N 3.01Å; D490-N492 PolarHBondContact OD1-ND2 3.38Å; D490-N492 PolarHBondContact OD2-ND2 3.3Å; D490-H679 IonicContact OD2-CE1 2.82Å; D490-H679 PolarHBondContact OD2-CE1 3.38Å
491	F	98.9	Very high	96.3	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.			trans	-93.6	-5	-179.8	-73	-101	0	0	0	112.6	T448 L450 L464 L487 G489 S493 L499 L503 V629 Y631	T448-F491 HydrophobicContact CG2-CE1 4.02Å; T448-F491 HydrophobicContact CG2-CE2 4.09Å; T448-F491 HydrophobicContact CG2-CZ 3.69Å; L450-F491 HydrophobicContact CD1-CB 4.2Å; L450-F491 HydrophobicContact CD1-CD1 3.6Å; L450-F491 HydrophobicContact CD1-CE1 4.31Å; L450-F491 HydrophobicContact CD1-CG 4.24Å; L450-F491 HydrophobicContact CG-CD1 4.33Å; L464-F491 HydrophobicContact CD1-CE1 4.33Å; L487-F491 HydrophobicContact CD1-CZ 3.84Å; L487-F491 HydrophobicContact CD2-CE1 4.3Å; L487-F491 HydrophobicContact CD2-CZ 4.03Å; L487-F491 HydrophobicContact CG-CE1 4.48Å; L487-F491 HydrophobicContact CG-CZ 3.73Å; G489-F491 VanDerWaalsContact O-CD2 3.32Å; G489-F491 WeakPolarHBondContact O-CD2 3.46Å; F491-S493 WeakPolarHBondContact O-CB 3.35Å; F491-S493 PolarHBondContact O-N 2.93Å; F491-S493 VanDerWaalsContact O-N 3.09Å; F491-S493 PolarHBondContact O-OG 3.33Å; F491-L499 HydrophobicContact CB-CD2 4.46Å; F491-L499 HydrophobicContact CD1-CD2 4.18Å; F491-L503 HydrophobicContact CD1-CD1 3.65Å; F491-L503 HydrophobicContact CE1-CD1 3.77Å; F491-L503 HydrophobicContact CE1-CD2 4.35Å; F491-L503 HydrophobicContact CG-CD1 4.45Å; F491-V629 PolarHBondContact N-O 3.34Å; F491-Y631 HydrophobicContact CB-CD2 3.98Å; F491-Y631 HydrophobicContact CB-CE2 4.04Å; F491-Y631 AromaticContact CD2-CD2 3.66Å; F491-Y631 HydrophobicContact CD2-CD2 3.66Å; F491-Y631 HydrophobicContact CD2-CG 4.45Å; F491-Y631 HydrophobicContact CG-CD2 4.01Å
492	N	98.8	Very high	97.1	Very high	7 Å²	7	20.5 Å²	20.5	4%	0.037	10%	0.102	C	C	.	.	S	Bend	trans	44	44.1	-175.5	-99.1	-92.4	0	0	0	111	H449 Y452 K460 D490 S519 Q521	H449-N492 PolarHBondContact NE2-ND2 3.48Å; Y452-N492 WeakPolarHBondContact CA-OD1 3.3Å; Y452-N492 WeakPolarHBondContact CD2-OD1 3.39Å; K460-N492 PolarHBondContact NZ-O 2.83Å; D490-N492 WeakPolarHBondContact OD1-CA 3.5Å; D490-N492 PolarHBondContact OD1-N 3.01Å; D490-N492 PolarHBondContact OD1-ND2 3.38Å; D490-N492 PolarHBondContact OD2-ND2 3.3Å; N492-S519 WeakPolarHBondContact O-CB 3.44Å; N492-Q521 WeakPolarHBondContact O-CG 3.47Å; N492-Q521 PolarHBondContact O-NE2 3.29Å; N492-Q521 PolarHBondContact O-OE1 2.75Å; N492-Q521 PolarHBondContact OD1-NE2 3.26Å
493	S	98.5	Very high	97.6	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.007	8%	0.082	C	C	.	.			trans	-151	132.4	-171.8	-58.5	0	0	0	0	109.5	F491 S519 Y631	F491-S493 WeakPolarHBondContact O-CB 3.35Å; F491-S493 PolarHBondContact O-N 2.93Å; F491-S493 VanDerWaalsContact O-N 3.09Å; F491-S493 PolarHBondContact O-OG 3.33Å; S493-S519 CarbonylContact C-O 3.47Å; S493-S519 VanDerWaalsContact CA-O 3.32Å; S493-S519 WeakPolarHBondContact CA-O 3.44Å; S493-S519 VanDerWaalsContact OG-CB 3.28Å; S493-S519 WeakPolarHBondContact OG-CB 3.46Å; S493-Y631 VanDerWaalsContact O-CE2 3.31Å; S493-Y631 WeakPolarHBondContact O-CE2 3.46Å; S493-Y631 PolarHBondContact O-OH 3.33Å
494	V	98.4	Very high	98	Very high	23 Å²	23	18.7 Å²	18.7	14%	0.139	9%	0.091	C	C	.	.			trans	-81.6	159.8	-173	-53.5	0	0	0	0	112.3	S497 S519 L627 T628	V494-S497 WeakPolarHBondContact O-CB 3.4Å; V494-S497 PolarHBondContact O-N 3.23Å; V494-S497 VanDerWaalsContact O-N 3.17Å; V494-S497 PolarHBondContact O-OG 2.93Å; V494-S519 PolarHBondContact N-O 3.48Å; V494-L627 HydrophobicContact CG1-CD1 3.88Å; V494-L627 HydrophobicContact CG1-CD2 4.22Å; V494-L627 HydrophobicContact CG1-CG 4.46Å; V494-T628 WeakPolarHBondContact CA-O 3.14Å
495	P	98.1	Very high	98.2	Very high	17 Å²	17	22 Å²	22	11%	0.11	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	146.7	175.9	-28.9	37.9	0	0	0	112.1	S497 H608 T628 Y631	P495-S497 PolarHBondContact O-N 3.06Å; P495-H608 HydrophobicContact CB-CB 3.58Å; P495-H608 VanDerWaalsContact CB-CG 3.44Å; P495-H608 HydrophobicContact CG-CB 3.65Å; P495-H608 VanDerWaalsContact CG-CG 3.42Å; P495-H608 WeakPolarHBondContact CG-ND1 3.43Å; P495-T628 HydrophobicContact CG-CG2 3.65Å; P495-Y631 VanDerWaalsContact CD-OH 3.25Å; P495-Y631 WeakPolarHBondContact CD-OH 3.32Å; P495-Y631 HydrophobicContact CG-CE1 4.3Å
496	W	96.7	Very high	98.2	Very high	137 Å²	137	22.5 Å²	22.5	52%	0.519	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	5.2	-175	-41.5	-74.1	0	0	0	116	H608 R609	W496-H608 HydrophobicContact CH2-CB 3.59Å; W496-H608 HydrophobicContact CZ2-CB 3.73Å; W496-H608 HydrophobicContact CZ3-CB 4.33Å; W496-R609 HydrophobicContact CH2-CG 3.81Å; W496-R609 HydrophobicContact CZ2-CG 4.21Å
497	S	98.1	Very high	98.2	Very high	6 Å²	6	24.1 Å²	24.1	4%	0.042	13%	0.128	C	C	.	.	S	Bend	trans	-60.3	157.5	167.5	64.1	0	0	0	0	111.6	V494 P495 L499 Y500 H501	V494-S497 WeakPolarHBondContact O-CB 3.4Å; V494-S497 PolarHBondContact O-N 3.23Å; V494-S497 VanDerWaalsContact O-N 3.17Å; V494-S497 PolarHBondContact O-OG 2.93Å; P495-S497 PolarHBondContact O-N 3.06Å; S497-L499 PolarHBondContact O-N 3.49Å; S497-L499 VanDerWaalsContact O-N 3.16Å; S497-Y500 PolarHBondContact O-N 3.03Å; S497-Y500 WeakPolarHBondContact OG-CB 3.17Å; S497-Y500 PolarHBondContact OG-N 2.87Å; S497-H501 WeakPolarHBondContact O-CB 3.42Å; S497-H501 PolarHBondContact O-N 3.48Å
498	P	98.4	Very high	98.1	Very high	34 Å²	34	24.7 Å²	24.7	22%	0.221	13%	0.131	C	C	.	.	H	α-helix	trans	-53.8	-33.1	175.7	-27.8	34.1	0	0	0	114.5	F502 L508 L513 M517 V518	P498-F502 WeakPolarHBondContact O-CB 3.5Å; P498-F502 PolarHBondContact O-N 3.09Å; P498-L508 HydrophobicContact CB-CD1 4.07Å; P498-L513 HydrophobicContact CB-CD2 3.79Å; P498-L513 HydrophobicContact CG-CD1 4.02Å; P498-L513 HydrophobicContact CG-CD2 4.16Å; P498-M517 VanDerWaalsContact CD-O 3.23Å; P498-M517 WeakPolarHBondContact CD-O 3.31Å; P498-V518 WeakPolarHBondContact CD-O 3.36Å
499	L	98.6	Very high	98.1	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-72.4	-42.6	174.2	-170.7	150.1	0	0	0	112.2	L450 K460 L461 L464 F491 S497 H501 F502 L503 V518	L450-L499 HydrophobicContact CD1-CD1 4.35Å; L450-L499 HydrophobicContact CD1-CD2 4.46Å; K460-L499 HydrophobicContact CB-CD1 3.56Å; K460-L499 HydrophobicContact CD-CD1 4.39Å; L461-L499 HydrophobicContact CD2-CB 4.4Å; L461-L499 HydrophobicContact CD2-CD1 4.18Å; L461-L499 HydrophobicContact CD2-CG 4.19Å; L464-L499 HydrophobicContact CD2-CD2 4.13Å; L464-L499 HydrophobicContact CD2-CG 4.08Å; F491-L499 HydrophobicContact CB-CD2 4.46Å; F491-L499 HydrophobicContact CD1-CD2 4.18Å; S497-L499 PolarHBondContact O-N 3.49Å; S497-L499 VanDerWaalsContact O-N 3.16Å; L499-H501 VanDerWaalsContact C-N 3.34Å; L499-F502 WeakPolarHBondContact O-CB 3.33Å; L499-F502 PolarHBondContact O-N 3.36Å; L499-L503 HydrophobicContact CD2-CD1 3.71Å; L499-L503 HydrophobicContact CD2-CG 4.5Å; L499-L503 WeakPolarHBondContact O-CG 3.14Å; L499-L503 PolarHBondContact O-N 3.01Å; L499-L503 VanDerWaalsContact O-N 3.11Å; L499-V518 HydrophobicContact CB-CG1 4.02Å; L499-V518 WeakPolarHBondContact CB-O 3.24Å; L499-V518 HydrophobicContact CD1-CG1 4.28Å; L499-V518 PolarHBondContact N-O 2.96Å
500	Y	98.6	Very high	98	Very high	23 Å²	23	31.8 Å²	31.8	9%	0.09	16%	0.162	C	C	.	.	H	α-helix	trans	-62.5	-41.1	173.1	176.9	-87.5	0	0	0	111.9	S497 L503 T504 S604 H608 Y631	S497-Y500 PolarHBondContact O-N 3.03Å; S497-Y500 WeakPolarHBondContact OG-CB 3.17Å; S497-Y500 PolarHBondContact OG-N 2.87Å; Y500-L503 WeakPolarHBondContact O-CB 3.44Å; Y500-L503 PolarHBondContact O-N 3.39Å; Y500-T504 HydrophobicContact CD1-CG2 4.49Å; Y500-T504 HydrophobicContact CE1-CG2 3.95Å; Y500-T504 HydrophobicContact CE2-CG2 4.08Å; Y500-T504 PolarHBondContact O-N 3.22Å; Y500-T504 VanDerWaalsContact O-N 3.1Å; Y500-T504 PolarHBondContact O-OG1 3.48Å; Y500-S604 VanDerWaalsContact OH-CB 3.26Å; Y500-S604 WeakPolarHBondContact OH-CB 3.41Å; Y500-H608 AromaticContact CE2-NE2 3.44Å; Y500-H608 WeakPolarHBondContact CE2-NE2 3.24Å; Y500-H608 AromaticContact CZ-CD2 3.81Å; Y500-H608 AromaticContact CZ-NE2 3.46Å; Y500-H608 PolarHBondContact OH-CD2 3.46Å; Y500-H608 PolarHBondContact OH-NE2 2.82Å; Y500-Y631 AromaticContact CD2-CD1 4Å; Y500-Y631 HydrophobicContact CD2-CD1 4Å; Y500-Y631 AromaticContact CD2-CE1 3.38Å; Y500-Y631 HydrophobicContact CD2-CE1 3.38Å; Y500-Y631 AromaticContact CD2-CZ 3.73Å; Y500-Y631 AromaticContact CE2-CD1 3.77Å; Y500-Y631 HydrophobicContact CE2-CD1 3.77Å; Y500-Y631 AromaticContact CE2-CE1 3.4Å; Y500-Y631 HydrophobicContact CE2-CE1 3.4Å; Y500-Y631 VanDerWaalsContact CE2-CE1 3.4Å
501	H	98.1	Very high	97.9	Very high	93 Å²	93	37.1 Å²	37.1	43%	0.431	19%	0.185	S	C	.	.	H	α-helix	trans	-64	-44.3	176.2	-171.2	86.9	0	0	0	111.2	S497 L499 L503 T504 T505	S497-H501 WeakPolarHBondContact O-CB 3.42Å; S497-H501 PolarHBondContact O-N 3.48Å; L499-H501 VanDerWaalsContact C-N 3.34Å; H501-L503 VanDerWaalsContact C-N 3.32Å; H501-L503 PolarHBondContact O-N 3.44Å; H501-T504 PolarHBondContact O-N 2.94Å; H501-T504 VanDerWaalsContact O-N 3.16Å; H501-T505 PolarHBondContact CD2-OG1 3.19Å; H501-T505 VanDerWaalsContact CD2-OG1 3.31Å; H501-T505 WeakPolarHBondContact CE1-CG2 3.49Å; H501-T505 PolarHBondContact NE2-OG1 3.14Å; H501-T505 PolarHBondContact O-N 3.4Å; H501-T505 PolarHBondContact O-OG1 3.3Å
502	F	98.6	Very high	97.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-53.2	-50.1	174.3	177.7	-134.1	0	0	0	111.9	L461 L464 L468 P498 L499 T504 G506 L508 I596 H598	L461-F502 HydrophobicContact CD2-CD1 4.02Å; L464-F502 HydrophobicContact CD2-CD1 3.73Å; L464-F502 HydrophobicContact CD2-CE1 3.95Å; L464-F502 HydrophobicContact CG-CE1 4.31Å; L468-F502 HydrophobicContact CD1-CE1 3.6Å; L468-F502 HydrophobicContact CD1-CZ 3.79Å; P498-F502 WeakPolarHBondContact O-CB 3.5Å; P498-F502 PolarHBondContact O-N 3.09Å; L499-F502 WeakPolarHBondContact O-CB 3.33Å; L499-F502 PolarHBondContact O-N 3.36Å; F502-T504 VanDerWaalsContact C-N 3.31Å; F502-T504 PolarHBondContact O-N 2.96Å; F502-G506 WeakPolarHBondContact O-CA 3.46Å; F502-G506 PolarHBondContact O-N 3.44Å; F502-L508 HydrophobicContact CB-CB 3.88Å; F502-L508 HydrophobicContact CB-CD2 4.28Å; F502-L508 HydrophobicContact CD2-CB 3.79Å; F502-L508 HydrophobicContact CG-CB 4.02Å; F502-I596 HydrophobicContact CD1-CD1 4.03Å; F502-I596 HydrophobicContact CD2-CD1 4.22Å; F502-I596 HydrophobicContact CD2-CG1 4.11Å; F502-I596 HydrophobicContact CE1-CD1 3.73Å; F502-I596 HydrophobicContact CE1-CG1 4.47Å; F502-I596 HydrophobicContact CE2-CB 4.26Å; F502-I596 HydrophobicContact CE2-CD1 3.94Å; F502-I596 HydrophobicContact CE2-CG1 3.77Å; F502-I596 HydrophobicContact CG-CD1 4.28Å; F502-I596 HydrophobicContact CZ-CB 4.34Å; F502-I596 HydrophobicContact CZ-CD1 3.69Å; F502-I596 HydrophobicContact CZ-CG1 3.97Å; F502-H598 AromaticContact CE2-CD2 3.81Å; F502-H598 AromaticContact CZ-CD2 3.72Å; F502-H598 PolarHBondContact O-NE2 3.22Å
503	L	98.2	Very high	97.5	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-58	-39.1	177.7	-78.2	166.5	0	0	0	113.6	L464 L487 F491 L499 Y500 H501 H598 L602 L633	L464-L503 HydrophobicContact CD1-CD2 3.74Å; L464-L503 HydrophobicContact CD2-CD1 4.26Å; L464-L503 HydrophobicContact CD2-CD2 3.76Å; L464-L503 HydrophobicContact CD2-CG 3.83Å; L464-L503 HydrophobicContact CG-CD2 4.33Å; L487-L503 HydrophobicContact CD2-CD2 3.94Å; F491-L503 HydrophobicContact CD1-CD1 3.65Å; F491-L503 HydrophobicContact CE1-CD1 3.77Å; F491-L503 HydrophobicContact CE1-CD2 4.35Å; F491-L503 HydrophobicContact CG-CD1 4.45Å; L499-L503 HydrophobicContact CD2-CD1 3.71Å; L499-L503 HydrophobicContact CD2-CG 4.5Å; L499-L503 WeakPolarHBondContact O-CG 3.14Å; L499-L503 PolarHBondContact O-N 3.01Å; L499-L503 VanDerWaalsContact O-N 3.11Å; Y500-L503 WeakPolarHBondContact O-CB 3.44Å; Y500-L503 PolarHBondContact O-N 3.39Å; H501-L503 VanDerWaalsContact C-N 3.32Å; H501-L503 PolarHBondContact O-N 3.44Å; L503-H598 WeakPolarHBondContact CA-NE2 3.47Å; L503-H598 PolarHBondContact O-CE1 2.58Å; L503-H598 VanDerWaalsContact O-CE1 3.22Å; L503-H598 PolarHBondContact O-NE2 3.26Å; L503-L602 HydrophobicContact CD2-CD1 4.49Å; L503-L633 HydrophobicContact CB-CD1 3.84Å; L503-L633 HydrophobicContact CD1-CD1 3.89Å; L503-L633 HydrophobicContact CD2-CD1 4.06Å; L503-L633 HydrophobicContact CG-CD1 4.16Å
504	T	97.1	Very high	97.3	Very high	38 Å²	38	42.4 Å²	42.4	23%	0.233	22%	0.224	C	C	.	.	H	α-helix	trans	-99.3	-14.1	-169.2	50.2	0	0	0	0	115	Y500 H501 F502 L602	Y500-T504 HydrophobicContact CD1-CG2 4.49Å; Y500-T504 HydrophobicContact CE1-CG2 3.95Å; Y500-T504 HydrophobicContact CE2-CG2 4.08Å; Y500-T504 PolarHBondContact O-N 3.22Å; Y500-T504 VanDerWaalsContact O-N 3.1Å; Y500-T504 PolarHBondContact O-OG1 3.48Å; H501-T504 PolarHBondContact O-N 2.94Å; H501-T504 VanDerWaalsContact O-N 3.16Å; F502-T504 VanDerWaalsContact C-N 3.31Å; F502-T504 PolarHBondContact O-N 2.96Å; T504-L602 WeakPolarHBondContact CA-O 3.37Å
505	T	96.8	Very high	97.2	Very high	76 Å²	76	42.1 Å²	42.1	47%	0.466	22%	0.222	S	C	.	.	H	α-helix	trans	-114.6	-6.3	172.7	69.7	0	0	0	0	113.6	H501 S507	H501-T505 PolarHBondContact CD2-OG1 3.19Å; H501-T505 VanDerWaalsContact CD2-OG1 3.31Å; H501-T505 WeakPolarHBondContact CE1-CG2 3.49Å; H501-T505 PolarHBondContact NE2-OG1 3.14Å; H501-T505 PolarHBondContact O-N 3.4Å; H501-T505 PolarHBondContact O-OG1 3.3Å; T505-S507 PolarHBondContact O-N 3.34Å; T505-S507 PolarHBondContact OG1-O 2.96Å
506	G	96.9	Very high	97	Very high	12 Å²	12	41.3 Å²	41.3	12%	0.124	22%	0.216	C	C	.	.	S	Bend	trans	68	12.6	-179.2	0	0	0	0	0	114.4	F502 N597 H598	F502-G506 WeakPolarHBondContact O-CA 3.46Å; F502-G506 PolarHBondContact O-N 3.44Å; G506-N597 CarbonylContact O-C 3.56Å; G506-N597 WeakPolarHBondContact O-CA 3.34Å; G506-N597 WeakPolarHBondContact O-CB 3.24Å; G506-H598 WeakPolarHBondContact CA-O 3.47Å; G506-H598 PolarHBondContact O-N 2.62Å
507	S	97.7	Very high	96.9	Very high	35 Å²	35	38 Å²	38	25%	0.245	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	137.7	176.2	-164.6	0	0	0	0	112.9	T505 I596 N597	T505-S507 PolarHBondContact O-N 3.34Å; T505-S507 PolarHBondContact OG1-O 2.96Å; S507-I596 WeakPolarHBondContact CA-O 3.23Å; S507-N597 PolarHBondContact OG-OD1 3.2Å
508	L	97.9	Very high	96.9	Very high	12 Å²	12	37.7 Å²	37.7	6%	0.063	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	119	173.1	177.3	62.8	0	0	0	110.8	L461 P498 F502 L513 R595 I596	L461-L508 HydrophobicContact CD1-CD2 3.97Å; L461-L508 HydrophobicContact CD2-CD2 4.05Å; P498-L508 HydrophobicContact CB-CD1 4.07Å; F502-L508 HydrophobicContact CB-CB 3.88Å; F502-L508 HydrophobicContact CB-CD2 4.28Å; F502-L508 HydrophobicContact CD2-CB 3.79Å; F502-L508 HydrophobicContact CG-CB 4.02Å; L508-L513 HydrophobicContact CD1-CD2 4.48Å; L508-L513 HydrophobicContact CD2-CD2 4.42Å; L508-R595 WeakPolarHBondContact O-CA 3.44Å; L508-I596 HydrophobicContact CB-CD1 4.45Å; L508-I596 HydrophobicContact CB-CG1 3.95Å; L508-I596 HydrophobicContact CD2-CD1 4.38Å; L508-I596 PolarHBondContact N-O 3.23Å; L508-I596 PolarHBondContact O-N 2.86Å; L508-I596 VanDerWaalsContact O-N 3.08Å
509	K	97.6	Very high	96.8	Very high	147 Å²	147	36 Å²	36	64%	0.639	20%	0.195	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	118.9	167	-61.3	173.2	-171	168.8	0	108.4	Y594 R595	K509-Y594 CarbonylContact C-O 3.59Å; K509-Y594 WeakPolarHBondContact CA-O 3.5Å; K509-R595 HydrophobicContact CG-CG 4.35Å
510	Y	96.4	Very high	96.7	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	21%	0.209	C	C	.	.			trans	-116	13.4	-172	61.4	-94.1	0	0	0	115	G512 L513 L531 P533 I535 Q544 R593 Y594 R595 I596	Y510-G512 PolarHBondContact O-N 2.8Å; Y510-L513 PolarHBondContact O-N 3.24Å; Y510-L513 VanDerWaalsContact O-N 3.08Å; Y510-L531 HydrophobicContact CD2-CB 3.83Å; Y510-L531 HydrophobicContact CD2-CD1 4.49Å; Y510-L531 HydrophobicContact CG-CD1 4.47Å; Y510-P533 HydrophobicContact CE2-CB 4.05Å; Y510-I535 HydrophobicContact CD1-CD1 3.93Å; Y510-I535 HydrophobicContact CD2-CD1 4.16Å; Y510-I535 HydrophobicContact CD2-CG1 4.16Å; Y510-I535 HydrophobicContact CE1-CD1 3.84Å; Y510-I535 HydrophobicContact CE1-CG1 4.08Å; Y510-I535 HydrophobicContact CE2-CD1 4.06Å; Y510-I535 HydrophobicContact CE2-CG1 3.66Å; Y510-I535 HydrophobicContact CG-CD1 4.08Å; Y510-Q544 PolarHBondContact OH-OE1 3.4Å; Y510-Q544 VanDerWaalsContact OH-OE1 3.11Å; Y510-R593 PolarHBondContact OH-O 3.47Å; Y510-Y594 VanDerWaalsContact CD1-C 3.48Å; Y510-Y594 WeakPolarHBondContact CD1-O 3.26Å; Y510-Y594 AromaticContact CD2-CD1 3.94Å; Y510-Y594 HydrophobicContact CD2-CD1 3.94Å; Y510-Y594 AromaticContact CE2-CD1 3.96Å; Y510-Y594 HydrophobicContact CE2-CD1 3.96Å; Y510-Y594 PolarHBondContact N-O 2.83Å; Y510-R595 VanDerWaalsContact CE1-N 3.29Å; Y510-I596 HydrophobicContact CE1-CG2 4.04Å
511	K	96.5	Very high	96.4	Very high	115 Å²	115	38.1 Å²	38.1	50%	0.5	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	109	174.2	-168.6	-179.8	-179.2	-174.6	0	109.2	E588 Y594	K511-E588 IonicContact NZ-OE1 3.53Å; K511-E588 IonicContact NZ-OE2 2.74Å; K511-E588 PolarHBondContact NZ-OE2 2.94Å; K511-Y594 VanDerWaalsContact CA-CD1 3.5Å; K511-Y594 HydrophobicContact CB-CD1 3.94Å; K511-Y594 HydrophobicContact CB-CD2 4.29Å; K511-Y594 HydrophobicContact CB-CG 3.76Å; K511-Y594 HydrophobicContact CG-CD1 4.29Å; K511-Y594 HydrophobicContact CG-CD2 4.16Å; K511-Y594 HydrophobicContact CG-CE1 4.49Å; K511-Y594 HydrophobicContact CG-CE2 4.4Å; K511-Y594 HydrophobicContact CG-CG 4.09Å
512	G	94.3	Very high	95.8	Very high	52 Å²	52	36.8 Å²	36.8	54%	0.536	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	9.3	-178.6	0	0	0	0	0	115.9	Y510 F530	Y510-G512 PolarHBondContact O-N 2.8Å; G512-F530 VanDerWaalsContact O-CD1 3.24Å; G512-F530 WeakPolarHBondContact O-CD1 3.3Å; G512-F530 WeakPolarHBondContact O-CE1 3.47Å
513	L	95.3	Very high	94.4	Very high	28 Å²	28	41.3 Å²	41.3	15%	0.147	25%	0.245	C	C	.	.			trans	-78.3	125.8	175.6	179.6	55.9	0	0	0	111.1	P498 L508 Y510 M517 V518 F530 L531	P498-L513 HydrophobicContact CB-CD2 3.79Å; P498-L513 HydrophobicContact CG-CD1 4.02Å; P498-L513 HydrophobicContact CG-CD2 4.16Å; L508-L513 HydrophobicContact CD1-CD2 4.48Å; L508-L513 HydrophobicContact CD2-CD2 4.42Å; Y510-L513 PolarHBondContact O-N 3.24Å; Y510-L513 VanDerWaalsContact O-N 3.08Å; L513-M517 HydrophobicContact CD1-CB 3.92Å; L513-V518 HydrophobicContact CD2-CG2 4.06Å; L513-V518 HydrophobicContact CG-CG2 4.25Å; L513-F530 WeakPolarHBondContact O-CA 3.36Å; L513-L531 HydrophobicContact CB-CD1 4.23Å; L513-L531 HydrophobicContact CD2-CD1 3.9Å; L513-L531 HydrophobicContact CG-CD1 4.03Å; L513-L531 PolarHBondContact O-N 2.78Å
514	Q	95.3	Very high	93.1	Very high	39 Å²	39	43 Å²	43	18%	0.182	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-73.3	141.8	173.2	-64.5	-174.8	8.8	0	0	111.1	N516 M517 F530	Q514-N516 VanDerWaalsContact C-N 3.27Å; Q514-N516 WeakPolarHBondContact CB-OD1 3.19Å; Q514-N516 PolarHBondContact O-N 3.08Å; Q514-N516 PolarHBondContact OE1-OD1 2.88Å; Q514-M517 HydrophobicContact CB-CB 4.42Å; Q514-M517 HydrophobicContact CB-CG 4.01Å; Q514-M517 PolarHBondContact O-N 3.39Å; Q514-M517 VanDerWaalsContact O-N 3.08Å; Q514-F530 HydrophobicContact CG-CD1 3.79Å; Q514-F530 HydrophobicContact CG-CE1 3.54Å; Q514-F530 HydrophobicContact CG-CZ 4.23Å
515	I	95.3	Very high	91.3	Very high	18 Å²	18	44.9 Å²	44.9	9%	0.092	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-31.1	-172.8	-69.4	174.1	0	0	0	113.2	R455 G457 D458 V518 R529 L531	R455-I515 WeakPolarHBondContact O-CG2 3.34Å; G457-I515 VanDerWaalsContact CA-O 3.3Å; G457-I515 WeakPolarHBondContact CA-O 3.35Å; G457-I515 PolarHBondContact N-O 2.72Å; G457-I515 VanDerWaalsContact N-O 3.08Å; D458-I515 HydrophobicContact CB-CD1 4.23Å; D458-I515 HydrophobicContact CB-CG1 4.3Å; D458-I515 HydrophobicContact CB-CG2 3.9Å; D458-I515 WeakPolarHBondContact OD1-CG2 3.48Å; I515-V518 WeakPolarHBondContact O-CG2 3.48Å; I515-R529 HydrophobicContact CD1-CB 3.93Å; I515-R529 WeakPolarHBondContact CG1-O 3.35Å; I515-R529 PolarHBondContact N-O 3.09Å; I515-L531 HydrophobicContact CG1-CD2 3.87Å; I515-L531 HydrophobicContact CG1-CG 4.01Å
516	N	94.1	Very high	90	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-24.7	177.5	63.7	-56.2	0	0	0	113.7	P454 R455 Q514 V518 G524 H528	P454-N516 VanDerWaalsContact O-CA 3.32Å; P454-N516 WeakPolarHBondContact O-CA 3.16Å; R455-N516 HydrophobicContact CG-CB 4.48Å; Q514-N516 VanDerWaalsContact C-N 3.27Å; Q514-N516 WeakPolarHBondContact CB-OD1 3.19Å; Q514-N516 PolarHBondContact O-N 3.08Å; Q514-N516 PolarHBondContact OE1-OD1 2.88Å; N516-V518 PolarHBondContact O-N 2.89Å; N516-G524 PolarHBondContact ND2-O 3.32Å; N516-H528 WeakPolarHBondContact OD1-CB 3.5Å; N516-H528 VanDerWaalsContact OD1-CG 3.32Å
517	M	95.4	Very high	88.8	Confident	66 Å²	66	55.9 Å²	55.9	33%	0.325	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-14.1	-179.5	-69.3	-57.1	-51.5	0	0	113	P498 L513 Q514 S519 G520	P498-M517 VanDerWaalsContact CD-O 3.23Å; P498-M517 WeakPolarHBondContact CD-O 3.31Å; L513-M517 HydrophobicContact CD1-CB 3.92Å; Q514-M517 HydrophobicContact CB-CB 4.42Å; Q514-M517 HydrophobicContact CB-CG 4.01Å; Q514-M517 PolarHBondContact O-N 3.39Å; Q514-M517 VanDerWaalsContact O-N 3.08Å; M517-S519 PolarHBondContact O-N 3.3Å; M517-G520 PolarHBondContact O-N 3.17Å
518	V	97.2	Very high	88	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-41.1	-176.2	172.4	0	0	0	0	113.8	L461 P498 L499 L513 I515 N516 L531	L461-V518 HydrophobicContact CD1-CG1 3.8Å; L461-V518 HydrophobicContact CD1-CG2 4.2Å; L461-V518 HydrophobicContact CD2-CG1 4.19Å; L461-V518 HydrophobicContact CG-CG1 3.75Å; P498-V518 WeakPolarHBondContact CD-O 3.36Å; L499-V518 HydrophobicContact CB-CG1 4.02Å; L499-V518 WeakPolarHBondContact CB-O 3.24Å; L499-V518 HydrophobicContact CD1-CG1 4.28Å; L499-V518 PolarHBondContact N-O 2.96Å; L513-V518 HydrophobicContact CD2-CG2 4.06Å; L513-V518 HydrophobicContact CG-CG2 4.25Å; I515-V518 WeakPolarHBondContact O-CG2 3.48Å; N516-V518 PolarHBondContact O-N 2.89Å; V518-L531 HydrophobicContact CG2-CD1 3.9Å
519	S	97.5	Very high	87.7	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-12.7	179.8	63.1	0	0	0	0	114.1	N492 S493 V494 M517 Q521	N492-S519 WeakPolarHBondContact O-CB 3.44Å; S493-S519 CarbonylContact C-O 3.47Å; S493-S519 VanDerWaalsContact CA-O 3.32Å; S493-S519 WeakPolarHBondContact CA-O 3.44Å; S493-S519 VanDerWaalsContact OG-CB 3.28Å; S493-S519 WeakPolarHBondContact OG-CB 3.46Å; V494-S519 PolarHBondContact N-O 3.48Å; M517-S519 PolarHBondContact O-N 3.3Å; S519-Q521 PolarHBondContact O-N 2.76Å; S519-Q521 VanDerWaalsContact O-N 3.12Å; S519-Q521 PolarHBondContact OG-OE1 2.95Å
520	G	95.7	Very high	87.5	Confident	30 Å²	30	63.3 Å²	63.3	31%	0.309	36%	0.356	S	S	.	.			trans	65.1	6.9	-179	0	0	0	0	0	116.2	M517	M517-G520 PolarHBondContact O-N 3.17Å
521	Q	92.9	Very high	87.5	Confident	38 Å²	38	63.7 Å²	63.7	18%	0.178	36%	0.358	C	S	.	.	S	Bend	trans	-68	-30.4	-179.2	-70.9	167.2	-69.6	0	0	114.3	Y452 P454 N492 S519	Y452-Q521 PolarHBondContact O-NE2 2.85Å; Y452-Q521 PolarHBondContact O-OE1 3.23Å; P454-Q521 VanDerWaalsContact CA-OE1 3.27Å; P454-Q521 HydrophobicContact CB-CB 3.78Å; N492-Q521 WeakPolarHBondContact O-CG 3.47Å; N492-Q521 PolarHBondContact O-NE2 3.29Å; N492-Q521 PolarHBondContact O-OE1 2.75Å; N492-Q521 PolarHBondContact OD1-NE2 3.26Å; S519-Q521 PolarHBondContact O-N 2.76Å; S519-Q521 VanDerWaalsContact O-N 3.12Å; S519-Q521 PolarHBondContact OG-OE1 2.95Å
522	E	85.3	Confident	87.4	Confident	64 Å²	64	62.1 Å²	62.1	30%	0.299	36%	0.358	S	S	.	.			trans	-125.7	125.8	177.9	-74.5	-172.8	158.4	0	0	109.7	P454 R455 G524	P454-E522 HydrophobicContact CB-CB 4.32Å; P454-E522 HydrophobicContact CB-CG 3.81Å; P454-E522 VanDerWaalsContact CG-CD 3.46Å; P454-E522 HydrophobicContact CG-CG 3.72Å; R455-E522 IonicContact CZ-OE2 3.31Å; R455-E522 IonicContact NE-OE1 3.18Å; R455-E522 IonicContact NE-OE2 3.59Å; R455-E522 PolarHBondContact NE-OE2 3.14Å; R455-E522 IonicContact NH2-OE1 3.36Å; R455-E522 IonicContact NH2-OE2 3.87Å; R455-E522 PolarHBondContact NH2-OE2 2.75Å; E522-G524 PolarHBondContact O-N 3.3Å; E522-G524 VanDerWaalsContact O-N 3.13Å
523	A	69.1	Low	87.4	Confident	96 Å²	96	61.6 Å²	61.6	79%	0.793	35%	0.345	S	S	*	.			trans	-79.3	19.2	177	0	0	0	0	0	114.4	S525	A523-S525 PolarHBondContact O-N 2.73Å
524	G	69.9	Low	87.4	Confident	37 Å²	37	63.2 Å²	63.2	38%	0.381	36%	0.357	S	S	.	.			trans	-86.8	88.7	-169.2	0	0	0	0	0	114.8	N516 E522 R526 H528	N516-G524 PolarHBondContact ND2-O 3.32Å; E522-G524 PolarHBondContact O-N 3.3Å; E522-G524 VanDerWaalsContact O-N 3.13Å; G524-R526 VanDerWaalsContact C-N 3.31Å; G524-R526 PolarHBondContact O-N 2.97Å; G524-R526 VanDerWaalsContact O-N 3.15Å; G524-H528 PolarHBondContact O-CD2 3.03Å
525	S	59.4	Low	87.4	Confident	76 Å²	76	62 Å²	62	53%	0.531	35%	0.352	S	S	.	.			trans	-78.2	9.5	-170.7	-34.8	0	0	0	0	117.4	A523	A523-S525 PolarHBondContact O-N 2.73Å
526	R	69.3	Low	87.5	Confident	234 Å²	234	61.5 Å²	61.5	88%	0.883	35%	0.349	S	S	*	.	S	Bend	trans	-103.5	118.3	-166.7	-70	-166.4	-72.3	-166	-3.3	113.7	G524 H528	G524-R526 VanDerWaalsContact C-N 3.31Å; G524-R526 PolarHBondContact O-N 2.97Å; G524-R526 VanDerWaalsContact O-N 3.15Å; R526-H528 VanDerWaalsContact C-N 3.34Å; R526-H528 PolarHBondContact O-CD2 2.97Å; R526-H528 PolarHBondContact O-N 3.23Å
527	G	71.9	Confident	87.5	Confident	85 Å²	85	63 Å²	63	88%	0.876	36%	0.36	S	S	*	.	S	Bend	trans	79.5	4.3	167.1	0	0	0	0	0	116.4
528	H	80.9	Confident	87.4	Confident	50 Å²	50	63.9 Å²	63.9	23%	0.231	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-77.9	145.8	179.9	-72.4	-78.3	0	0	0	112.8	N516 G524 R526	N516-H528 WeakPolarHBondContact OD1-CB 3.5Å; N516-H528 VanDerWaalsContact OD1-CG 3.32Å; G524-H528 PolarHBondContact O-CD2 3.03Å; R526-H528 VanDerWaalsContact C-N 3.34Å; R526-H528 PolarHBondContact O-CD2 2.97Å; R526-H528 PolarHBondContact O-N 3.23Å
529	R	91.4	Very high	87.2	Confident	186 Å²	186	74.6 Å²	74.6	70%	0.702	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-68.7	149.9	175.9	-73.7	178	61.2	178.3	-2.6	111.2	I515	I515-R529 HydrophobicContact CD1-CB 3.93Å; I515-R529 WeakPolarHBondContact CG1-O 3.35Å; I515-R529 PolarHBondContact N-O 3.09Å
530	F	94.8	Very high	87	Confident	115 Å²	115	75.7 Å²	75.7	50%	0.504	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	-83	154.5	169.9	-60.9	-80.5	0	0	0	111.8	G512 L513 Q514	G512-F530 VanDerWaalsContact O-CD1 3.24Å; G512-F530 WeakPolarHBondContact O-CD1 3.3Å; G512-F530 WeakPolarHBondContact O-CE1 3.47Å; L513-F530 WeakPolarHBondContact O-CA 3.36Å; Q514-F530 HydrophobicContact CG-CD1 3.79Å; Q514-F530 HydrophobicContact CG-CE1 3.54Å; Q514-F530 HydrophobicContact CG-CZ 4.23Å
531	L	95.8	Very high	87.1	Confident	8 Å²	8	75.5 Å²	75.5	4%	0.042	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-66.2	132.6	168.7	-73.4	168.4	0	0	0	110.5	D458 L461 Y510 L513 I515 V518 I535	D458-L531 HydrophobicContact CB-CD2 3.81Å; L461-L531 HydrophobicContact CD1-CD1 3.97Å; Y510-L531 HydrophobicContact CD2-CB 3.83Å; Y510-L531 HydrophobicContact CD2-CD1 4.49Å; Y510-L531 HydrophobicContact CG-CD1 4.47Å; L513-L531 HydrophobicContact CB-CD1 4.23Å; L513-L531 HydrophobicContact CD2-CD1 3.9Å; L513-L531 HydrophobicContact CG-CD1 4.03Å; L513-L531 PolarHBondContact O-N 2.78Å; I515-L531 HydrophobicContact CG1-CD2 3.87Å; I515-L531 HydrophobicContact CG1-CG 4.01Å; V518-L531 HydrophobicContact CG2-CD1 3.9Å; L531-I535 HydrophobicContact CD1-CD1 4.29Å; L531-I535 HydrophobicContact CD2-CD1 4.31Å; L531-I535 HydrophobicContact CD2-CG1 4.33Å; L531-I535 HydrophobicContact CD2-CG2 4.2Å
532	T	94.6	Very high	87.3	Confident	83 Å²	83	73.7 Å²	73.7	51%	0.509	41%	0.406	S	S	.	.			trans	-106	145.9	176.1	49.1	0	0	0	0	110.5	P534 I535	T532-P534 CarbonylContact O-C 3.44Å; T532-P534 VanDerWaalsContact O-O 3.07Å; T532-I535 WeakPolarHBondContact O-CA 3.32Å; T532-I535 PolarHBondContact O-N 3.07Å
533	P	94.3	Very high	87.8	Confident	41 Å²	41	72.7 Å²	72.7	27%	0.266	40%	0.403	S	S	.	.	S	Bend	trans	-92.7	140.8	177.9	35.9	-32.4	0	0	0	112	Y510 R593 Y594	Y510-P533 HydrophobicContact CE2-CB 4.05Å; P533-R593 HydrophobicContact CB-CB 4.34Å; P533-R593 WeakPolarHBondContact CB-O 3.45Å; P533-Y594 HydrophobicContact CB-CD1 4.32Å; P533-Y594 HydrophobicContact CB-CE1 4.45Å; P533-Y594 HydrophobicContact CB-CG 4.48Å; P533-Y594 HydrophobicContact CG-CD1 4.04Å; P533-Y594 HydrophobicContact CG-CD2 4.24Å; P533-Y594 HydrophobicContact CG-CE1 3.71Å; P533-Y594 HydrophobicContact CG-CE2 3.89Å; P533-Y594 HydrophobicContact CG-CG 4.31Å
534	P	94.8	Very high	89	Confident	61 Å²	61	70.5 Å²	70.5	40%	0.396	38%	0.376	S	S	.	.	S	Bend	cis	-67	154.4	-17.7	32	-35.8	0	0	0	111	T532 W536 P538	T532-P534 CarbonylContact O-C 3.44Å; T532-P534 VanDerWaalsContact O-O 3.07Å; P534-W536 VanDerWaalsContact C-N 3.3Å; P534-W536 WeakPolarHBondContact CB-O 3.45Å; P534-W536 VanDerWaalsContact CG-O 3.3Å; P534-W536 WeakPolarHBondContact CG-O 3.28Å; P534-W536 PolarHBondContact O-N 3.23Å; P534-P538 HydrophobicContact CG-CG 4.48Å
535	I	96.8	Very high	90.3	Very high	15 Å²	15	70.7 Å²	70.7	8%	0.077	37%	0.371	C	S	.	.	S	Bend	trans	-63.2	-38.4	180	-61.8	178	0	0	0	111.1	L416 L461 Y510 L531 T532 I596	L416-I535 VanDerWaalsContact CD2-O 3.26Å; L416-I535 WeakPolarHBondContact CD2-O 3.3Å; L461-I535 HydrophobicContact CD1-CD1 3.91Å; Y510-I535 HydrophobicContact CD1-CD1 3.93Å; Y510-I535 HydrophobicContact CD2-CD1 4.16Å; Y510-I535 HydrophobicContact CD2-CG1 4.16Å; Y510-I535 HydrophobicContact CE1-CD1 3.84Å; Y510-I535 HydrophobicContact CE1-CG1 4.08Å; Y510-I535 HydrophobicContact CE2-CD1 4.06Å; Y510-I535 HydrophobicContact CE2-CG1 3.66Å; Y510-I535 HydrophobicContact CG-CD1 4.08Å; L531-I535 HydrophobicContact CD1-CD1 4.29Å; L531-I535 HydrophobicContact CD2-CD1 4.31Å; L531-I535 HydrophobicContact CD2-CG1 4.33Å; L531-I535 HydrophobicContact CD2-CG2 4.2Å; T532-I535 WeakPolarHBondContact O-CA 3.32Å; T532-I535 PolarHBondContact O-N 3.07Å; I535-I596 HydrophobicContact CD1-CD1 4.35Å
536	W	96.4	Very high	92.1	Very high	7 Å²	7	67.2 Å²	67.2	3%	0.027	35%	0.347	C	S	.	.	S	Bend	trans	-117.5	161.1	178.2	53	84	0	0	0	111.7	L416 A462 A465 P534 L540 I542 I596	L416-W536 HydrophobicContact CD2-CB 4.08Å; A462-W536 HydrophobicContact CB-CB 4.27Å; A462-W536 HydrophobicContact CB-CE3 4.08Å; A465-W536 HydrophobicContact CB-CD2 4.42Å; A465-W536 HydrophobicContact CB-CE3 4.09Å; A465-W536 HydrophobicContact CB-CH2 3.31Å; A465-W536 HydrophobicContact CB-CZ2 3.7Å; A465-W536 HydrophobicContact CB-CZ3 3.54Å; P534-W536 VanDerWaalsContact C-N 3.3Å; P534-W536 WeakPolarHBondContact CB-O 3.45Å; P534-W536 VanDerWaalsContact CG-O 3.3Å; P534-W536 WeakPolarHBondContact CG-O 3.28Å; P534-W536 PolarHBondContact O-N 3.23Å; W536-L540 HydrophobicContact CB-CD2 4.09Å; W536-L540 HydrophobicContact CD2-CD2 4.49Å; W536-L540 HydrophobicContact CG-CD2 3.83Å; W536-I542 HydrophobicContact CZ2-CG2 4.46Å; W536-I542 PolarHBondContact NE1-O 3.22Å; W536-I596 HydrophobicContact CH2-CB 4.33Å; W536-I596 HydrophobicContact CH2-CD1 4.45Å; W536-I596 HydrophobicContact CH2-CG2 3.51Å; W536-I596 HydrophobicContact CZ2-CG2 4.22Å; W536-I596 HydrophobicContact CZ3-CD1 4.44Å; W536-I596 HydrophobicContact CZ3-CG2 4.06Å
537	S	94.3	Very high	93.4	Very high	32 Å²	32	58.4 Å²	58.4	22%	0.224	32%	0.316	C	S	.	.			trans	-67.3	139	177.6	-167.7	0	0	0	0	111.1	R539 L540	S537-R539 PolarHBondContact O-N 3.09Å; S537-L540 VanDerWaalsContact O-CB 3.24Å; S537-L540 WeakPolarHBondContact O-CB 3.41Å; S537-L540 PolarHBondContact O-N 3.23Å
538	P	92.4	Very high	94.6	Very high	83 Å²	83	58.3 Å²	58.3	54%	0.539	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-55.3	-24.3	170.4	-27.4	35.9	0	0	0	113.5	P534 L540 G541	P534-P538 HydrophobicContact CG-CG 4.48Å; P538-L540 PolarHBondContact O-N 3.08Å; P538-G541 PolarHBondContact O-N 2.81Å
539	R	93.1	Very high	95.1	Very high	225 Å²	225	60.4 Å²	60.4	85%	0.849	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-63.2	-6.2	173.5	-64.8	-176	-65.9	-168.7	1.7	114.5	S537	S537-R539 PolarHBondContact O-N 3.09Å
540	L	94.8	Very high	94.7	Very high	23 Å²	23	57.2 Å²	57.2	12%	0.12	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-69.8	-21.3	167.2	-174.1	58.9	0	0	0	112.6	R411 L417 I466 W536 S537 P538 I542	R411-L540 HydrophobicContact CG-CD1 3.97Å; L417-L540 HydrophobicContact CD1-CD1 3.74Å; L417-L540 HydrophobicContact CD1-CD2 3.95Å; L417-L540 HydrophobicContact CD1-CG 4.43Å; I466-L540 HydrophobicContact CD1-CD1 4.04Å; I466-L540 HydrophobicContact CD1-CD2 4.4Å; I466-L540 HydrophobicContact CG1-CD1 4.09Å; I466-L540 HydrophobicContact CG1-CD2 4Å; I466-L540 HydrophobicContact CG1-CG 4.47Å; W536-L540 HydrophobicContact CB-CD2 4.09Å; W536-L540 HydrophobicContact CD2-CD2 4.49Å; W536-L540 HydrophobicContact CG-CD2 3.83Å; S537-L540 VanDerWaalsContact O-CB 3.24Å; S537-L540 WeakPolarHBondContact O-CB 3.41Å; S537-L540 PolarHBondContact O-N 3.23Å; P538-L540 PolarHBondContact O-N 3.08Å; L540-I542 VanDerWaalsContact C-N 3.31Å; L540-I542 HydrophobicContact CD2-CB 4.22Å; L540-I542 HydrophobicContact CD2-CD1 4.17Å; L540-I542 HydrophobicContact CG-CB 4.16Å; L540-I542 HydrophobicContact CG-CD1 4.03Å; L540-I542 HydrophobicContact CG-CG1 4.13Å
541	G	96.2	Very high	93.1	Very high	26 Å²	26	61.5 Å²	61.5	27%	0.268	32%	0.324	S	S	.	.			trans	68.5	28.3	-175.4	0	0	0	0	0	113.4	P538 Y548 E549	P538-G541 PolarHBondContact O-N 2.81Å; G541-Y548 WeakPolarHBondContact O-CA 3.46Å; G541-E549 PolarHBondContact O-N 2.73Å
542	I	97.1	Very high	90.8	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.005	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-130.8	120.2	-179.8	-64.7	178.6	0	0	0	108.8	I466 A469 W536 L540 Q547 Y548	I466-I542 HydrophobicContact CB-CD1 4.23Å; I466-I542 HydrophobicContact CG1-CD1 3.89Å; A469-I542 HydrophobicContact CB-CD1 3.76Å; A469-I542 HydrophobicContact CB-CG1 4.13Å; A469-I542 HydrophobicContact CB-CG2 4.18Å; W536-I542 HydrophobicContact CZ2-CG2 4.46Å; W536-I542 PolarHBondContact NE1-O 3.22Å; L540-I542 VanDerWaalsContact C-N 3.31Å; L540-I542 HydrophobicContact CD2-CB 4.22Å; L540-I542 HydrophobicContact CD2-CD1 4.17Å; L540-I542 HydrophobicContact CG-CB 4.16Å; L540-I542 HydrophobicContact CG-CD1 4.03Å; L540-I542 HydrophobicContact CG-CG1 4.13Å; I542-Q547 WeakPolarHBondContact CA-O 3.31Å; I542-Y548 HydrophobicContact CD1-CD1 4.2Å; I542-Y548 HydrophobicContact CD1-CE1 3.81Å; I542-Y548 HydrophobicContact CG1-CD1 3.7Å; I542-Y548 HydrophobicContact CG1-CE1 3.82Å
543	N	96	Very high	88.2	Confident	43 Å²	43	67 Å²	67	23%	0.23	37%	0.367	C	S	.	.			trans	-75.8	172.8	-177.8	65.3	36.1	0	0	0	112	S545 C546 Q547 E549	N543-S545 PolarHBondContact O-N 3.41Å; N543-S545 WeakPolarHBondContact OD1-CA 3.32Å; N543-S545 WeakPolarHBondContact OD1-CB 3.42Å; N543-S545 PolarHBondContact OD1-N 2.68Å; N543-C546 PolarHBondContact O-N 3.07Å; N543-C546 PolarHBondContact OD1-N 3.1Å; N543-Q547 PolarHBondContact N-O 3.08Å; N543-Q547 PolarHBondContact OD1-N 2.84Å; N543-Q547 VanDerWaalsContact OD1-N 3.16Å; N543-Q547 PolarHBondContact OD1-O 3.01Å; N543-E549 WeakPolarHBondContact CA-OE1 3.39Å; N543-E549 HydrophobicContact CB-CG 3.82Å; N543-E549 WeakPolarHBondContact CB-OE1 3.36Å
544	Q	95.6	Very high	85.6	Confident	49 Å²	49	73.8 Å²	73.8	23%	0.229	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-11.6	179.1	-61.8	-60.3	-90.8	0	0	114.1	Y510 C546 I596 N597	Y510-Q544 PolarHBondContact OH-OE1 3.4Å; Y510-Q544 VanDerWaalsContact OH-OE1 3.11Å; Q544-C546 PolarHBondContact O-N 2.91Å; Q544-I596 HydrophobicContact CB-CG2 4.34Å; Q544-I596 CarbonylContact O-C 3.55Å; Q544-I596 WeakPolarHBondContact O-CA 3.25Å; Q544-I596 WeakPolarHBondContact O-CB 3.41Å; Q544-N597 PolarHBondContact O-N 2.71Å
545	S	96.4	Very high	82.9	Confident	41 Å²	41	78.6 Å²	78.6	29%	0.287	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	13	170.3	-59.4	0	0	0	0	113	N543 Q547 N597	N543-S545 PolarHBondContact O-N 3.41Å; N543-S545 WeakPolarHBondContact OD1-CA 3.32Å; N543-S545 WeakPolarHBondContact OD1-CB 3.42Å; N543-S545 PolarHBondContact OD1-N 2.68Å; S545-Q547 VanDerWaalsContact C-N 3.26Å; S545-Q547 PolarHBondContact O-N 2.91Å; S545-N597 CarbonylContact C-O 3.18Å; S545-N597 WeakPolarHBondContact CA-O 3.38Å; S545-N597 VanDerWaalsContact O-O 3.06Å
546	C	97.6	Very high	80.2	Confident	3 Å²	3	83.7 Å²	83.7	2%	0.02	45%	0.446	C	S	.	.	S	Bend	trans	52.6	44	-178.2	-54.3	0	0	0	0	112.6	A465 L468 A469 N543 Q544 N597 H598	A465-C546 HydrophobicContact CB-CB 4.45Å; L468-C546 HydrophobicContact CB-CB 3.88Å; L468-C546 HydrophobicContact CD1-CB 4.18Å; A469-C546 WeakPolarHBondContact CA-O 3.37Å; A469-C546 WeakPolarHBondContact CB-O 3.39Å; A469-C546 PolarHBondContact N-O 2.9Å; N543-C546 PolarHBondContact O-N 3.07Å; N543-C546 PolarHBondContact OD1-N 3.1Å; Q544-C546 PolarHBondContact O-N 2.91Å; C546-N597 PolarHBondContact N-O 2.93Å; C546-N597 PolarHBondContact SG-O 3.28Å; C546-N597 VanDerWaalsContact SG-O 3.34Å; C546-H598 HydrophobicContact CB-CB 4.45Å
547	Q	96.8	Very high	77.5	Confident	50 Å²	50	94.4 Å²	94.4	23%	0.234	49%	0.487	C	S	.	.			trans	-120.4	149.7	170.8	-56.8	-178.9	-8.3	0	0	109.1	R476 I542 N543 S545 D599	R476-Q547 VanDerWaalsContact NH1-NE2 3.12Å; I542-Q547 WeakPolarHBondContact CA-O 3.31Å; N543-Q547 PolarHBondContact N-O 3.08Å; N543-Q547 PolarHBondContact OD1-N 2.84Å; N543-Q547 VanDerWaalsContact OD1-N 3.16Å; N543-Q547 PolarHBondContact OD1-O 3.01Å; S545-Q547 VanDerWaalsContact C-N 3.26Å; S545-Q547 PolarHBondContact O-N 2.91Å; Q547-D599 PolarHBondContact NE2-OD2 3.16Å
548	Y	96.6	Very high	74.8	Confident	83 Å²	83	98.9 Å²	98.9	33%	0.325	52%	0.515	S	S	.	.	B	Isolated β-bridge	trans	-61.5	137.6	170.5	-73.3	-68.3	0	0	0	110.9	A469 E470 R473 G541 I542 S550	A469-Y548 HydrophobicContact CB-CD2 3.98Å; A469-Y548 HydrophobicContact CB-CE2 3.92Å; A469-Y548 HydrophobicContact CB-CG 4.33Å; E470-Y548 VanDerWaalsContact OE2-CE2 3.24Å; E470-Y548 WeakPolarHBondContact OE2-CE2 2.98Å; E470-Y548 PolarHBondContact OE2-OH 2.81Å; R473-Y548 HydrophobicContact CB-CD2 4.24Å; R473-Y548 HydrophobicContact CB-CE2 4.4Å; R473-Y548 HydrophobicContact CG-CD2 4.49Å; G541-Y548 WeakPolarHBondContact O-CA 3.46Å; I542-Y548 HydrophobicContact CD1-CD1 4.2Å; I542-Y548 HydrophobicContact CD1-CE1 3.81Å; I542-Y548 HydrophobicContact CG1-CD1 3.7Å; I542-Y548 HydrophobicContact CG1-CE1 3.82Å; Y548-S550 PolarHBondContact O-N 3.25Å
549	E	92.4	Very high	72.2	Confident	94 Å²	94	100.4 Å²	100.4	44%	0.439	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-77.7	118.8	176.3	-70.3	176	164.7	0	0	109.6	G541 N543 K551	G541-E549 PolarHBondContact O-N 2.73Å; N543-E549 WeakPolarHBondContact CA-OE1 3.39Å; N543-E549 HydrophobicContact CB-CG 3.82Å; N543-E549 WeakPolarHBondContact CB-OE1 3.36Å; E549-K551 PolarHBondContact O-N 3.05Å; E549-K551 VanDerWaalsContact O-N 3.11Å
550	S	81.6	Confident	69.7	Low	119 Å²	119	95.1 Å²	95.1	83%	0.832	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-54.5	117.8	166.7	-55.9	0	0	0	0	108.6	Y548 A552	Y548-S550 PolarHBondContact O-N 3.25Å; S550-A552 PolarHBondContact O-N 3.04Å
551	K	61	Low	67.4	Low	204 Å²	204	100 Å²	100	89%	0.887	56%	0.558	S	S	*	*			trans	-59.6	111.5	163.1	-74.7	-174.7	176.9	-176.9	0	106.8	E549 T553	E549-K551 PolarHBondContact O-N 3.05Å; E549-K551 VanDerWaalsContact O-N 3.11Å; K551-T553 PolarHBondContact O-N 3.41Å
552	A	48.2	Very low	64.7	Low	84 Å²	84	103.5 Å²	103.5	69%	0.694	59%	0.585	S	S	*	*			trans	-56.8	126.7	164.3	0	0	0	0	0	107.2	S550 E554	S550-A552 PolarHBondContact O-N 3.04Å; A552-E554 PolarHBondContact O-N 3.12Å
553	T	40	Very low	61.9	Low	122 Å²	122	108 Å²	108	75%	0.748	62%	0.622	S	S	*	*			trans	-62.4	109.9	164.3	-52.5	0	0	0	0	106	K551 E555	K551-T553 PolarHBondContact O-N 3.41Å; T553-E555 HydrophobicContact CG2-CG 4.45Å; T553-E555 PolarHBondContact O-N 2.94Å
554	E	40.3	Very low	59	Low	185 Å²	185	113.3 Å²	113.3	86%	0.864	66%	0.655	S	S	*	*			trans	-69.7	82.4	167.6	-71.4	-168.5	146.5	0	0	107.7	A552	A552-E554 PolarHBondContact O-N 3.12Å
555	E	37.5	Very low	56.1	Low	162 Å²	162	120.1 Å²	120.1	76%	0.757	69%	0.687	S	S	*	*			trans	-55.3	123.2	163.1	-68.7	-121.7	131.9	0	0	107.5	T553 R557	T553-E555 HydrophobicContact CG2-CG 4.45Å; T553-E555 PolarHBondContact O-N 2.94Å; E555-R557 PolarHBondContact O-N 2.9Å
556	P	40.3	Very low	53	Low	122 Å²	122	121.8 Å²	121.8	79%	0.792	71%	0.711	S	S	*	*			trans	-64.4	115.5	-177.9	25.8	-32.9	0	0	0	108.4
557	R	38.6	Very low	49.7	Very low	232 Å²	232	125 Å²	125	88%	0.875	74%	0.744	S	S	*	*			trans	-49.9	127.1	177.7	-70	-178.3	176.9	-176.6	-1.4	109.2	E555 S559	E555-R557 PolarHBondContact O-N 2.9Å; R557-S559 PolarHBondContact O-N 3.08Å; R557-S559 VanDerWaalsContact O-N 3.12Å
558	P	37.7	Very low	46.7	Very low	125 Å²	125	130.2 Å²	130.2	81%	0.812	77%	0.772	S	S	*	*			trans	-61.4	120.3	179.4	24.3	-33	0	0	0	109.5	S560	P558-S560 PolarHBondContact O-N 2.84Å
559	S	39.5	Very low	43.7	Very low	115 Å²	115	131.2 Å²	131.2	80%	0.804	79%	0.791	S	S	*	*			trans	-69.3	109.8	175.8	53	0	0	0	0	109.7	R557	R557-S559 PolarHBondContact O-N 3.08Å; R557-S559 VanDerWaalsContact O-N 3.12Å
560	S	39.1	Very low	40.8	Very low	114 Å²	114	133.2 Å²	133.2	80%	0.797	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-73.8	131.2	178.4	43.4	0	0	0	0	112	P558	P558-S560 PolarHBondContact O-N 2.84Å
561	P	46.5	Very low	38.5	Very low	125 Å²	125	134.9 Å²	134.9	81%	0.812	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-84.9	167.2	166.7	34.5	-32.8	0	0	0	112.2
562	A	38.9	Very low	37.1	Very low	101 Å²	101	132.2 Å²	132.2	84%	0.835	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-55.8	154.8	-162.4	0	0	0	0	0	119.7
563	A	39.1	Very low	36.4	Very low	96 Å²	96	133.5 Å²	133.5	79%	0.793	80%	0.804	S	S	*	*			trans	-35.2	153.1	166.3	0	0	0	0	0	119.7
564	V	35.8	Very low	36.1	Very low	153 Å²	153	136 Å²	136	93%	0.927	81%	0.807	S	S	*	*			trans	-135.2	165.6	144.5	-174.8	0	0	0	0	107.9
565	E	33.9	Very low	35.7	Very low	192 Å²	192	132.8 Å²	132.8	90%	0.897	80%	0.796	S	S	*	*			trans	-116.5	158.2	-155.8	-179.5	175	-145.7	0	0	114.9
566	G	31.1	Very low	35.5	Very low	76 Å²	76	132.6 Å²	132.6	78%	0.784	80%	0.795	S	S	*	*			trans	103.7	143.4	167.8	0	0	0	0	0	115.9
567	G	29.3	Very low	35.3	Very low	70 Å²	70	131.6 Å²	131.6	72%	0.722	80%	0.797	S	S	*	*			cis	-178.6	146.5	-8.2	0	0	0	0	0	114.2
568	I	34.1	Very low	34.9	Very low	160 Å²	160	126.6 Å²	126.6	82%	0.821	80%	0.798	S	S	*	*			trans	33	118.7	155.7	-23.8	177.2	0	0	0	120.2
569	S	32.4	Very low	34.6	Very low	104 Å²	104	124.8 Å²	124.8	73%	0.727	80%	0.801	S	S	*	*				163.8	118.3	116.2	-72.4	0	0	0	0	116.8
570	N	31.6	Very low	34.3	Very low	137 Å²	137	124.1 Å²	124.1	73%	0.733	80%	0.803	S	S	*	*			trans	33.7	123.8	136.9	-61	-4.2	0	0	0	124.3
571	L	32.9	Very low	33.9	Very low	153 Å²	153	123.5 Å²	123.5	80%	0.801	80%	0.799	S	S	*	*				47.9	119.5	122.8	-58.9	169.2	0	0	0	121.9
572	T	31.6	Very low	33.2	Very low	148 Å²	148	122.4 Å²	122.4	91%	0.908	79%	0.794	S	S	*	*				-150.9	169.2	124.5	26	0	0	0	0	110.3
573	V	34.5	Very low	32.9	Very low	112 Å²	112	124.4 Å²	124.4	68%	0.679	79%	0.791	S	S	*	*			trans	-134.6	161.5	-173.3	174.4	0	0	0	0	109.1
574	E	34.1	Very low	32.8	Very low	173 Å²	173	125.3 Å²	125.3	81%	0.808	79%	0.786	S	S	*	*			trans	70.1	150.8	175.6	-79	141.2	-136.4	0	0	115.7
575	D	32.2	Very low	32.9	Very low	119 Å²	119	122 Å²	122	64%	0.636	77%	0.774	S	S	*	*			cis	-149.1	172	8.6	-150.3	-11.4	0	0	0	114.1
576	Q	33.4	Very low	33.1	Very low	158 Å²	158	124.6 Å²	124.6	74%	0.738	78%	0.776	S	S	*	*			trans	18.3	121.1	159	-78.2	155.2	71.4	0	0	120.4
577	A	34.3	Very low	33.7	Very low	100 Å²	100	125.6 Å²	125.6	83%	0.826	77%	0.771	S	S	*	*				86.6	107.6	52.3	0	0	0	0	0	115.9
578	S	30.9	Very low	34.3	Very low	128 Å²	128	127.7 Å²	127.7	90%	0.895	76%	0.762	S	S	*	*			trans	-150.2	148.1	151.6	59.1	0	0	0	0	109.3
579	G	31.8	Very low	34.9	Very low	86 Å²	86	126 Å²	126	89%	0.887	76%	0.762	S	S	*	*			trans	-95.2	153.1	-159.3	0	0	0	0	0	116.4
580	A	31.9	Very low	35.9	Very low	101 Å²	101	123.9 Å²	123.9	84%	0.835	74%	0.742	S	S	*	*			trans	-136	134	157	0	0	0	0	0	108.7	S582	A580-S582 PolarHBondContact O-N 3.23Å
581	S	31	Very low	37	Very low	102 Å²	102	119.8 Å²	119.8	71%	0.713	72%	0.724	S	S	*	*			trans	-66.1	119	-175.4	-173.4	0	0	0	0	111.3	D583	S581-D583 VanDerWaalsContact C-N 3.35Å; S581-D583 PolarHBondContact O-N 2.83Å; S581-D583 PolarHBondContact OG-OD2 2.99Å; S581-D583 VanDerWaalsContact OG-OD2 3.05Å
582	S	32.3	Very low	38.8	Very low	101 Å²	101	116.2 Å²	116.2	71%	0.706	71%	0.711	S	S	*	*			trans	-86.5	78.4	166.2	55	0	0	0	0	109.9	A580 V584	A580-S582 PolarHBondContact O-N 3.23Å; S582-V584 PolarHBondContact O-N 3.49Å
583	D	31.7	Very low	41.4	Very low	144 Å²	144	116.4 Å²	116.4	77%	0.77	70%	0.695	S	S	*	*			trans	-67.7	75.7	165.9	-89.6	-69.8	0	0	0	110	S581 A585	S581-D583 VanDerWaalsContact C-N 3.35Å; S581-D583 PolarHBondContact O-N 2.83Å; S581-D583 PolarHBondContact OG-OD2 2.99Å; S581-D583 VanDerWaalsContact OG-OD2 3.05Å; D583-A585 PolarHBondContact O-N 3.44Å
584	V	38	Very low	44.3	Very low	115 Å²	115	113.9 Å²	113.9	70%	0.697	67%	0.674	S	S	*	*			trans	-72	77	173.5	-175.6	0	0	0	0	108.1	S582 R586	S582-V584 PolarHBondContact O-N 3.49Å; V584-R586 PolarHBondContact O-N 2.74Å
585	A	37.8	Very low	47.3	Very low	82 Å²	82	109.3 Å²	109.3	68%	0.678	65%	0.65	S	S	*	*			trans	-52.7	114	168.9	0	0	0	0	0	108.4	D583 S587	D583-A585 PolarHBondContact O-N 3.44Å; A585-S587 PolarHBondContact O-N 2.94Å
586	R	38.2	Very low	50.4	Low	247 Å²	247	103.7 Å²	103.7	93%	0.932	62%	0.619	S	S	*	*			trans	-72	64.4	-175.5	-65.4	172.7	73.5	170	3.7	111.1	V584 E588	V584-R586 PolarHBondContact O-N 2.74Å; R586-E588 PolarHBondContact O-N 3.33Å
587	S	42.8	Very low	53.5	Low	98 Å²	98	98.3 Å²	98.3	69%	0.685	60%	0.596	S	S	*	*			trans	-60.8	125.6	171.2	54.6	0	0	0	0	109.2	A585 P589	A585-S587 PolarHBondContact O-N 2.94Å; S587-P589 WeakPolarHBondContact O-CD 3.23Å; S587-P589 VanDerWaalsContact O-N 3.13Å
588	E	42	Very low	56.4	Low	114 Å²	114	94.1 Å²	94.1	53%	0.533	56%	0.559	S	S	.	*			trans	-57.5	119.1	176.1	-86.2	-156.7	157.6	0	0	109.3	K511 R586 N590 C591	K511-E588 IonicContact NZ-OE1 3.53Å; K511-E588 IonicContact NZ-OE2 2.74Å; K511-E588 PolarHBondContact NZ-OE2 2.94Å; R586-E588 PolarHBondContact O-N 3.33Å; E588-N590 PolarHBondContact O-N 3.22Å; E588-C591 HydrophobicContact CB-CB 4.08Å; E588-C591 PolarHBondContact O-N 3.37Å
589	P	47.8	Very low	59.4	Low	125 Å²	125	92.7 Å²	92.7	81%	0.812	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	0.5	176.4	-22.4	35.2	0	0	0	114	S587	S587-P589 WeakPolarHBondContact O-CD 3.23Å; S587-P589 VanDerWaalsContact O-N 3.13Å
590	N	53.5	Low	62.2	Low	58 Å²	58	89.6 Å²	89.6	31%	0.31	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-10.5	-170.8	-148.9	4.6	0	0	0	113.1	E588 R593	E588-N590 PolarHBondContact O-N 3.22Å; N590-R593 PolarHBondContact OD1-NE 3.05Å; N590-R593 VanDerWaalsContact OD1-NE 3.17Å; N590-R593 PolarHBondContact OD1-NH2 3.37Å
591	C	54.5	Low	65	Low	51 Å²	51	92.3 Å²	92.3	35%	0.345	50%	0.498	S	S	.	.	S	Bend	trans	-84.6	-16.4	-174.1	-172	0	0	0	0	114	E588 R595	E588-C591 HydrophobicContact CB-CB 4.08Å; E588-C591 PolarHBondContact O-N 3.37Å; C591-R595 PolarHBondContact O-NH2 2.98Å; C591-R595 VanDerWaalsContact O-NH2 3.12Å
592	S	70.8	Confident	68	Low	78 Å²	78	87.7 Å²	87.7	55%	0.545	47%	0.465	S	S	.	.	S	Bend	trans	-73.3	-41	172.5	51.3	0	0	0	0	112.4	Y594 R595	S592-Y594 VanDerWaalsContact C-N 3.26Å; S592-Y594 PolarHBondContact O-N 2.97Å; S592-R595 PolarHBondContact O-N 2.84Å
593	R	86.5	Confident	71	Confident	152 Å²	152	85.8 Å²	85.8	57%	0.574	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-28.9	-173.6	-60.8	-161.5	-70.4	-172.6	-4.2	114.3	Y510 P533 N590 R595	Y510-R593 PolarHBondContact OH-O 3.47Å; P533-R593 HydrophobicContact CB-CB 4.34Å; P533-R593 WeakPolarHBondContact CB-O 3.45Å; N590-R593 PolarHBondContact OD1-NE 3.05Å; N590-R593 VanDerWaalsContact OD1-NE 3.17Å; N590-R593 PolarHBondContact OD1-NH2 3.37Å; R593-R595 VanDerWaalsContact C-N 3.34Å; R593-R595 PolarHBondContact O-N 2.83Å
594	Y	94.4	Very high	74.1	Confident	60 Å²	60	79.9 Å²	79.9	24%	0.235	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	40.4	-179.7	-70.7	-92.6	0	0	0	112.5	K509 Y510 K511 P533 S592	K509-Y594 CarbonylContact C-O 3.59Å; K509-Y594 WeakPolarHBondContact CA-O 3.5Å; Y510-Y594 VanDerWaalsContact CD1-C 3.48Å; Y510-Y594 WeakPolarHBondContact CD1-O 3.26Å; Y510-Y594 AromaticContact CD2-CD1 3.94Å; Y510-Y594 HydrophobicContact CD2-CD1 3.94Å; Y510-Y594 AromaticContact CE2-CD1 3.96Å; Y510-Y594 HydrophobicContact CE2-CD1 3.96Å; Y510-Y594 PolarHBondContact N-O 2.83Å; K511-Y594 VanDerWaalsContact CA-CD1 3.5Å; K511-Y594 HydrophobicContact CB-CD1 3.94Å; K511-Y594 HydrophobicContact CB-CD2 4.29Å; K511-Y594 HydrophobicContact CB-CG 3.76Å; K511-Y594 HydrophobicContact CG-CD1 4.29Å; K511-Y594 HydrophobicContact CG-CD2 4.16Å; K511-Y594 HydrophobicContact CG-CE1 4.49Å; K511-Y594 HydrophobicContact CG-CE2 4.4Å; K511-Y594 HydrophobicContact CG-CG 4.09Å; P533-Y594 HydrophobicContact CB-CD1 4.32Å; P533-Y594 HydrophobicContact CB-CE1 4.45Å; P533-Y594 HydrophobicContact CB-CG 4.48Å; P533-Y594 HydrophobicContact CG-CD1 4.04Å; P533-Y594 HydrophobicContact CG-CD2 4.24Å; P533-Y594 HydrophobicContact CG-CE1 3.71Å; P533-Y594 HydrophobicContact CG-CE2 3.89Å; P533-Y594 HydrophobicContact CG-CG 4.31Å; S592-Y594 VanDerWaalsContact C-N 3.26Å; S592-Y594 PolarHBondContact O-N 2.97Å
595	R	96.8	Very high	77	Confident	77 Å²	77	74.5 Å²	74.5	29%	0.291	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	136.8	-179.8	-159.6	175.1	-51.1	163.2	13.4	112	L508 K509 Y510 C591 S592 R593	L508-R595 WeakPolarHBondContact O-CA 3.44Å; K509-R595 HydrophobicContact CG-CG 4.35Å; Y510-R595 VanDerWaalsContact CE1-N 3.29Å; C591-R595 PolarHBondContact O-NH2 2.98Å; C591-R595 VanDerWaalsContact O-NH2 3.12Å; S592-R595 PolarHBondContact O-N 2.84Å; R593-R595 VanDerWaalsContact C-N 3.34Å; R593-R595 PolarHBondContact O-N 2.83Å
596	I	98	Very high	79.8	Confident	0 Å²	0	71 Å²	71	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	151.1	162.9	54.6	173.6	0	0	0	109.4	L461 F502 S507 L508 Y510 I535 W536 Q544	L461-I596 HydrophobicContact CD2-CD1 4.21Å; F502-I596 HydrophobicContact CD1-CD1 4.03Å; F502-I596 HydrophobicContact CD2-CD1 4.22Å; F502-I596 HydrophobicContact CD2-CG1 4.11Å; F502-I596 HydrophobicContact CE1-CD1 3.73Å; F502-I596 HydrophobicContact CE1-CG1 4.47Å; F502-I596 HydrophobicContact CE2-CB 4.26Å; F502-I596 HydrophobicContact CE2-CD1 3.94Å; F502-I596 HydrophobicContact CE2-CG1 3.77Å; F502-I596 HydrophobicContact CG-CD1 4.28Å; F502-I596 HydrophobicContact CZ-CB 4.34Å; F502-I596 HydrophobicContact CZ-CD1 3.69Å; F502-I596 HydrophobicContact CZ-CG1 3.97Å; S507-I596 WeakPolarHBondContact CA-O 3.23Å; L508-I596 HydrophobicContact CB-CD1 4.45Å; L508-I596 HydrophobicContact CB-CG1 3.95Å; L508-I596 HydrophobicContact CD2-CD1 4.38Å; L508-I596 PolarHBondContact N-O 3.23Å; L508-I596 PolarHBondContact O-N 2.86Å; L508-I596 VanDerWaalsContact O-N 3.08Å; Y510-I596 HydrophobicContact CE1-CG2 4.04Å; I535-I596 HydrophobicContact CD1-CD1 4.35Å; W536-I596 HydrophobicContact CH2-CB 4.33Å; W536-I596 HydrophobicContact CH2-CD1 4.45Å; W536-I596 HydrophobicContact CH2-CG2 3.51Å; W536-I596 HydrophobicContact CZ2-CG2 4.22Å; W536-I596 HydrophobicContact CZ3-CD1 4.44Å; W536-I596 HydrophobicContact CZ3-CG2 4.06Å; Q544-I596 HydrophobicContact CB-CG2 4.34Å; Q544-I596 CarbonylContact O-C 3.55Å; Q544-I596 WeakPolarHBondContact O-CA 3.25Å; Q544-I596 WeakPolarHBondContact O-CB 3.41Å
597	N	98	Very high	82.6	Confident	46 Å²	46	61.2 Å²	61.2	25%	0.246	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	169.3	-179.9	-41.7	-71.4	0	0	0	111.2	G506 S507 Q544 S545 C546	G506-N597 CarbonylContact O-C 3.56Å; G506-N597 WeakPolarHBondContact O-CA 3.34Å; G506-N597 WeakPolarHBondContact O-CB 3.24Å; S507-N597 PolarHBondContact OG-OD1 3.2Å; Q544-N597 PolarHBondContact O-N 2.71Å; S545-N597 CarbonylContact C-O 3.18Å; S545-N597 WeakPolarHBondContact CA-O 3.38Å; S545-N597 VanDerWaalsContact O-O 3.06Å; C546-N597 PolarHBondContact N-O 2.93Å; C546-N597 PolarHBondContact SG-O 3.28Å; C546-N597 VanDerWaalsContact SG-O 3.34Å
598	H	96.3	Very high	85.2	Confident	11 Å²	11	56.8 Å²	56.8	5%	0.051	30%	0.296	C	S	.	.			trans	-156.2	152.4	161.8	69.3	59.2	0	0	0	111.5	L468 F502 L503 G506 C546	L468-H598 HydrophobicContact CD1-CB 4.15Å; L468-H598 VanDerWaalsContact CD1-CD2 3.43Å; L468-H598 WeakPolarHBondContact CD1-CD2 3.27Å; F502-H598 AromaticContact CE2-CD2 3.81Å; F502-H598 AromaticContact CZ-CD2 3.72Å; F502-H598 PolarHBondContact O-NE2 3.22Å; L503-H598 WeakPolarHBondContact CA-NE2 3.47Å; L503-H598 PolarHBondContact O-CE1 2.58Å; L503-H598 VanDerWaalsContact O-CE1 3.22Å; L503-H598 PolarHBondContact O-NE2 3.26Å; G506-H598 WeakPolarHBondContact CA-O 3.47Å; G506-H598 PolarHBondContact O-N 2.62Å; C546-H598 HydrophobicContact CB-CB 4.45Å
599	D	92.4	Very high	87.7	Confident	99 Å²	99	56.9 Å²	56.9	53%	0.529	29%	0.291	S	S	.	.			trans	-95.8	0.9	-169.5	-46.3	-66.9	0	0	0	114.8	Q547 K601	Q547-D599 PolarHBondContact NE2-OD2 3.16Å; D599-K601 VanDerWaalsContact C-N 3.28Å; D599-K601 PolarHBondContact O-N 2.78Å; D599-K601 VanDerWaalsContact O-N 3.13Å
600	L	90.6	Very high	89.9	Confident	20 Å²	20	51.8 Å²	51.8	11%	0.105	26%	0.257	C	S	.	.			trans	-70.8	-5.2	-166.7	-57.5	-175	0	0	0	117	L468 I471 V485 L602	L468-L600 HydrophobicContact CD2-CD1 3.55Å; I471-L600 HydrophobicContact CB-CD1 4.14Å; I471-L600 HydrophobicContact CG2-CD1 3.61Å; I471-L600 HydrophobicContact CG2-CD2 4.19Å; V485-L600 HydrophobicContact CG2-CD2 4.48Å; L600-L602 VanDerWaalsContact C-N 3.31Å; L600-L602 HydrophobicContact CB-CD1 4.3Å; L600-L602 HydrophobicContact CB-CD2 4.09Å; L600-L602 HydrophobicContact CB-CG 3.85Å; L600-L602 HydrophobicContact CD1-CD1 4.38Å; L600-L602 PolarHBondContact O-N 3.3Å
601	K	90.6	Very high	91.5	Very high	159 Å²	159	55.8 Å²	55.8	69%	0.691	28%	0.277	S	S	*	.			trans	45.1	47.3	177.6	-60.7	174.3	-173.7	173.1	0	114.5	D599	D599-K601 VanDerWaalsContact C-N 3.28Å; D599-K601 PolarHBondContact O-N 2.78Å; D599-K601 VanDerWaalsContact O-N 3.13Å
602	L	94.8	Very high	92.9	Very high	4 Å²	4	59.6 Å²	59.6	2%	0.021	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	139.7	-175.3	-57.1	175.6	0	0	0	112	V485 L487 L503 T504 L600 L633 Y634	V485-L602 HydrophobicContact CB-CD2 4.15Å; V485-L602 HydrophobicContact CG1-CD2 3.85Å; L487-L602 HydrophobicContact CB-CD1 4.39Å; L487-L602 HydrophobicContact CD2-CD1 3.8Å; L503-L602 HydrophobicContact CD2-CD1 4.49Å; T504-L602 WeakPolarHBondContact CA-O 3.37Å; L600-L602 VanDerWaalsContact C-N 3.31Å; L600-L602 HydrophobicContact CB-CD1 4.3Å; L600-L602 HydrophobicContact CB-CD2 4.09Å; L600-L602 HydrophobicContact CB-CG 3.85Å; L600-L602 HydrophobicContact CD1-CD1 4.38Å; L600-L602 PolarHBondContact O-N 3.3Å; L602-L633 HydrophobicContact CB-CB 4.28Å; L602-L633 HydrophobicContact CD1-CB 4.45Å; L602-L633 HydrophobicContact CD1-CD1 4.43Å; L602-Y634 CarbonylContact C-O 3.59Å; L602-Y634 WeakPolarHBondContact CA-O 3.42Å
603	Q	95.5	Very high	93.7	Very high	61 Å²	61	59.9 Å²	59.9	29%	0.285	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	157.6	165.7	68.3	175.7	0.5	0	0	111.9	L633 Y634 S636	Q603-L633 CarbonylContact O-C 3.55Å; Q603-L633 VanDerWaalsContact O-CA 3.26Å; Q603-L633 WeakPolarHBondContact O-CA 3.11Å; Q603-Y634 HydrophobicContact CG-CD1 4.28Å; Q603-Y634 HydrophobicContact CG-CD2 4.45Å; Q603-Y634 HydrophobicContact CG-CE1 3.79Å; Q603-Y634 HydrophobicContact CG-CE2 4.01Å; Q603-Y634 PolarHBondContact N-O 2.95Å; Q603-Y634 VanDerWaalsContact NE2-CZ 3.31Å; Q603-Y634 PolarHBondContact NE2-OH 2.85Å; Q603-Y634 VanDerWaalsContact O-CD1 3.28Å; Q603-Y634 WeakPolarHBondContact O-CD1 3.12Å; Q603-Y634 PolarHBondContact O-N 2.82Å; Q603-S636 VanDerWaalsContact NE2-CB 3.27Å; Q603-S636 PolarHBondContact NE2-OG 2.91Å
604	S	97.6	Very high	94.1	Very high	20 Å²	20	53.9 Å²	53.9	14%	0.14	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	142.5	176.7	178.4	0	0	0	0	111.5	Y500 Y606 H608	Y500-S604 VanDerWaalsContact OH-CB 3.26Å; Y500-S604 WeakPolarHBondContact OH-CB 3.41Å; S604-Y606 WeakPolarHBondContact CB-O 3.31Å; S604-Y606 PolarHBondContact OG-N 2.94Å; S604-Y606 VanDerWaalsContact OG-N 3.1Å; S604-Y606 PolarHBondContact OG-O 2.55Å; S604-H608 PolarHBondContact OG-CE1 2.79Å; S604-H608 PolarHBondContact OG-NE2 2.88Å
605	S	97.8	Very high	94.1	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.014	28%	0.284	C	S	.	.	S	Bend	trans	-78.1	-25.4	167.4	51.6	0	0	0	0	113.4	I632 R655	S605-I632 PolarHBondContact N-O 2.85Å; S605-I632 VanDerWaalsContact N-O 3.12Å; S605-I632 PolarHBondContact OG-O 3.32Å; S605-R655 VanDerWaalsContact O-CD 3.25Å; S605-R655 WeakPolarHBondContact O-CD 3.5Å; S605-R655 PolarHBondContact O-NH1 2.83Å
606	Y	97.8	Very high	94.1	Very high	9 Å²	9	54.6 Å²	54.6	4%	0.035	30%	0.295	C	S	.	.	S	Bend	trans	-97.2	146	177.5	-74.5	-82.5	0	0	0	111.6	S604 H608 R655 L656 L658 L682 L683 V684	S604-Y606 WeakPolarHBondContact CB-O 3.31Å; S604-Y606 PolarHBondContact OG-N 2.94Å; S604-Y606 VanDerWaalsContact OG-N 3.1Å; S604-Y606 PolarHBondContact OG-O 2.55Å; Y606-H608 PolarHBondContact O-NE2 2.7Å; Y606-R655 HydrophobicContact CE1-CB 4.34Å; Y606-R655 HydrophobicContact CE1-CG 4.24Å; Y606-L656 VanDerWaalsContact CE1-O 3.28Å; Y606-L656 WeakPolarHBondContact CE1-O 3.34Å; Y606-L656 PolarHBondContact OH-O 3.28Å; Y606-L658 HydrophobicContact CD1-CD1 3.51Å; Y606-L658 HydrophobicContact CD1-CG 3.78Å; Y606-L658 HydrophobicContact CE1-CD1 3.88Å; Y606-L658 HydrophobicContact CE1-CG 3.65Å; Y606-L658 HydrophobicContact CG-CD1 3.96Å; Y606-L682 HydrophobicContact CD2-CD2 3.75Å; Y606-L682 HydrophobicContact CD2-CG 4.05Å; Y606-L682 HydrophobicContact CE2-CB 3.76Å; Y606-L682 HydrophobicContact CE2-CD2 3.78Å; Y606-L682 HydrophobicContact CE2-CG 3.62Å; Y606-L683 PolarHBondContact OH-N 3.42Å; Y606-L683 VanDerWaalsContact OH-N 3.09Å; Y606-L683 PolarHBondContact OH-O 3.11Å; Y606-V684 HydrophobicContact CE2-CG1 3.95Å
607	G	95.5	Very high	94.1	Very high	41 Å²	41	54.8 Å²	54.8	42%	0.423	30%	0.296	S	S	.	.			trans	-89.5	-12.7	-174.2	0	0	0	0	0	113.5	R609 E617 R655	G607-R609 PolarHBondContact O-N 2.97Å; G607-E617 PolarHBondContact N-OE2 2.87Å; G607-R655 VanDerWaalsContact N-NH1 3.15Å
608	H	97.4	Very high	94.1	Very high	5 Å²	5	52.8 Å²	52.8	2%	0.023	29%	0.286	C	S	.	.	S	Bend	trans	64.5	9.6	-176.2	-48.7	-55.6	0	0	0	114.3	P495 W496 Y500 S604 Y606 E617 Y631	P495-H608 HydrophobicContact CB-CB 3.58Å; P495-H608 VanDerWaalsContact CB-CG 3.44Å; P495-H608 HydrophobicContact CG-CB 3.65Å; P495-H608 VanDerWaalsContact CG-CG 3.42Å; P495-H608 WeakPolarHBondContact CG-ND1 3.43Å; W496-H608 HydrophobicContact CH2-CB 3.59Å; W496-H608 HydrophobicContact CZ2-CB 3.73Å; W496-H608 HydrophobicContact CZ3-CB 4.33Å; Y500-H608 AromaticContact CE2-NE2 3.44Å; Y500-H608 WeakPolarHBondContact CE2-NE2 3.24Å; Y500-H608 AromaticContact CZ-CD2 3.81Å; Y500-H608 AromaticContact CZ-NE2 3.46Å; Y500-H608 PolarHBondContact OH-CD2 3.46Å; Y500-H608 PolarHBondContact OH-NE2 2.82Å; S604-H608 PolarHBondContact OG-CE1 2.79Å; S604-H608 PolarHBondContact OG-NE2 2.88Å; Y606-H608 PolarHBondContact O-NE2 2.7Å; H608-E617 WeakPolarHBondContact CA-OE2 3.32Å; H608-E617 PolarHBondContact N-OE2 3.17Å; H608-E617 PolarHBondContact O-N 3.12Å; H608-Y631 AromaticContact CE1-CD1 3.67Å; H608-Y631 AromaticContact CE1-CE1 3.42Å; H608-Y631 VanDerWaalsContact CE1-CE1 3.42Å; H608-Y631 WeakPolarHBondContact CE1-CE1 3.4Å; H608-Y631 AromaticContact NE2-CE1 3.94Å
609	R	96.1	Very high	94.2	Very high	117 Å²	117	52.3 Å²	52.3	44%	0.442	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-145	134.1	177	-62.4	-170.8	178.6	-77.9	-10.7	111	W496 G607 G614 R615	W496-R609 HydrophobicContact CH2-CG 3.81Å; W496-R609 HydrophobicContact CZ2-CG 4.21Å; G607-R609 PolarHBondContact O-N 2.97Å; R609-G614 PolarHBondContact NH1-O 2.96Å; R609-R615 CarbonylContact C-O 3.56Å; R609-R615 VanDerWaalsContact CA-O 3.26Å; R609-R615 WeakPolarHBondContact CA-O 3.47Å
610	L	93.3	Very high	94.5	Very high	17 Å²	17	47.8 Å²	47.8	9%	0.089	26%	0.259	C	S	.	.			trans	-68.7	153.9	170	-56.8	177	0	0	0	110.8	G614 R615 E617 L658	L610-G614 VanDerWaalsContact O-CA 3.29Å; L610-G614 WeakPolarHBondContact O-CA 3.33Å; L610-G614 PolarHBondContact O-N 2.71Å; L610-R615 HydrophobicContact CD1-CB 4.27Å; L610-R615 PolarHBondContact N-O 2.83Å; L610-E617 HydrophobicContact CD2-CG 3.87Å; L610-E617 HydrophobicContact CG-CG 4.41Å; L610-L658 WeakPolarHBondContact CD2-O 3.41Å
611	L	85.9	Confident	94.9	Very high	142 Å²	142	46.8 Å²	46.8	74%	0.743	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.7	140.2	171.7	-64.4	176.3	0	0	0	109.4
612	P	85	Confident	95.1	Very high	131 Å²	131	39.7 Å²	39.7	85%	0.851	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	cis	-89.8	-6.2	3.9	36.2	-36.5	0	0	0	114.8	G614	P612-G614 PolarHBondContact O-N 2.79Å
613	D	88.4	Confident	95.2	Very high	85 Å²	85	41.6 Å²	41.6	46%	0.455	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-14.3	-164.8	68.9	29.5	0	0	0	115.8	R615	D613-R615 VanDerWaalsContact C-N 3.26Å; D613-R615 VanDerWaalsContact CG-NE 3.34Å; D613-R615 PolarHBondContact O-N 3.4Å; D613-R615 VanDerWaalsContact OD1-CB 3.28Å; D613-R615 WeakPolarHBondContact OD1-CB 3.48Å; D613-R615 WeakPolarHBondContact OD1-CG 3.12Å; D613-R615 PolarHBondContact OD1-N 3.45Å; D613-R615 IonicContact OD1-NE 3.51Å; D613-R615 PolarHBondContact OD1-NE 3.45Å; D613-R615 IonicContact OD2-CZ 3.7Å; D613-R615 VanDerWaalsContact OD2-CZ 3.23Å; D613-R615 IonicContact OD2-NE 2.78Å; D613-R615 PolarHBondContact OD2-NE 3.02Å; D613-R615 IonicContact OD2-NH2 3.51Å; D613-R615 PolarHBondContact OD2-NH2 3.32Å
614	G	93.1	Very high	95.1	Very high	26 Å²	26	47.4 Å²	47.4	27%	0.268	26%	0.257	S	S	.	.			trans	73.9	6.1	177.2	0	0	0	0	0	115.6	R609 L610 P612	R609-G614 PolarHBondContact NH1-O 2.96Å; L610-G614 VanDerWaalsContact O-CA 3.29Å; L610-G614 WeakPolarHBondContact O-CA 3.33Å; L610-G614 PolarHBondContact O-N 2.71Å; P612-G614 PolarHBondContact O-N 2.79Å
615	R	95.8	Very high	94.9	Very high	72 Å²	72	48.5 Å²	48.5	27%	0.272	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-59.5	149.4	174	-73.7	-175.4	-66.6	133.2	9.2	110.5	R609 L610 D613 E617 S662 E663	R609-R615 CarbonylContact C-O 3.56Å; R609-R615 VanDerWaalsContact CA-O 3.26Å; R609-R615 WeakPolarHBondContact CA-O 3.47Å; L610-R615 HydrophobicContact CD1-CB 4.27Å; L610-R615 PolarHBondContact N-O 2.83Å; D613-R615 VanDerWaalsContact C-N 3.26Å; D613-R615 VanDerWaalsContact CG-NE 3.34Å; D613-R615 PolarHBondContact O-N 3.4Å; D613-R615 VanDerWaalsContact OD1-CB 3.28Å; D613-R615 WeakPolarHBondContact OD1-CB 3.48Å; D613-R615 WeakPolarHBondContact OD1-CG 3.12Å; D613-R615 PolarHBondContact OD1-N 3.45Å; D613-R615 IonicContact OD1-NE 3.51Å; D613-R615 PolarHBondContact OD1-NE 3.45Å; D613-R615 IonicContact OD2-CZ 3.7Å; D613-R615 VanDerWaalsContact OD2-CZ 3.23Å; D613-R615 IonicContact OD2-NE 2.78Å; D613-R615 PolarHBondContact OD2-NE 3.02Å; D613-R615 IonicContact OD2-NH2 3.51Å; D613-R615 PolarHBondContact OD2-NH2 3.32Å; R615-E617 PolarHBondContact O-N 3.41Å; R615-S662 PolarHBondContact NH1-OG 3.29Å; R615-E663 IonicContact CZ-OE1 2.79Å; R615-E663 VanDerWaalsContact CZ-OE1 3.25Å; R615-E663 IonicContact CZ-OE2 3.61Å; R615-E663 VanDerWaalsContact NH1-CD 3.27Å; R615-E663 IonicContact NH1-OE1 2.77Å; R615-E663 PolarHBondContact NH1-OE1 2.85Å; R615-E663 IonicContact NH1-OE2 2.69Å; R615-E663 PolarHBondContact NH1-OE2 3.04Å; R615-E663 IonicContact NH2-OE1 3.46Å; R615-E663 PolarHBondContact NH2-OE1 3.03Å; R615-E663 IonicContact NH2-OE2 3.25Å
616	P	96.9	Very high	94.8	Very high	80 Å²	80	49.2 Å²	49.2	52%	0.519	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-58.7	136.3	176.4	-21.7	33.3	0	0	0	111.8
617	E	97.7	Very high	94.7	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.019	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-63.5	152.9	159.1	-70.1	173.1	158.6	0	0	109.1	G607 H608 L610 R615 T628 R655 L658	G607-E617 PolarHBondContact N-OE2 2.87Å; H608-E617 WeakPolarHBondContact CA-OE2 3.32Å; H608-E617 PolarHBondContact N-OE2 3.17Å; H608-E617 PolarHBondContact O-N 3.12Å; L610-E617 HydrophobicContact CD2-CG 3.87Å; L610-E617 HydrophobicContact CG-CG 4.41Å; R615-E617 PolarHBondContact O-N 3.41Å; E617-T628 PolarHBondContact O-OG1 2.84Å; E617-R655 IonicContact OE1-NH2 3.61Å; E617-L658 HydrophobicContact CB-CB 3.92Å; E617-L658 HydrophobicContact CB-CD1 3.92Å; E617-L658 HydrophobicContact CG-CB 3.93Å; E617-L658 HydrophobicContact CG-CD1 4.39Å
618	V	98	Very high	94.9	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.024	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-128.2	137.2	176.9	173.8	0	0	0	0	109.7	T620 V659 Q661 L664	V618-T620 WeakPolarHBondContact CG1-O 3.32Å; V618-V659 PolarHBondContact N-O 2.82Å; V618-Q661 HydrophobicContact CG2-CB 4.4Å; V618-L664 HydrophobicContact CB-CD1 3.95Å; V618-L664 HydrophobicContact CG1-CD1 3.49Å; V618-L664 VanDerWaalsContact CG1-CD1 3.49Å
619	T	98.6	Very high	95	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-112.7	-22.3	174	69.2	0	0	0	0	113.4	L627 T628 V629 D630 L658 H679 L680 L682	T619-L627 PolarHBondContact N-O 3.23Å; T619-T628 HydrophobicContact CG2-CG2 3.81Å; T619-T628 WeakPolarHBondContact OG1-CA 3.03Å; T619-V629 PolarHBondContact OG1-N 2.84Å; T619-D630 WeakPolarHBondContact CB-OD2 3.48Å; T619-D630 HydrophobicContact CG2-CB 4.22Å; T619-D630 PolarHBondContact OG1-N 3.32Å; T619-D630 PolarHBondContact OG1-OD2 3.19Å; T619-L658 HydrophobicContact CG2-CD1 3.72Å; T619-L658 HydrophobicContact CG2-CD2 4.25Å; T619-H679 CarbonylContact O-C 3.58Å; T619-H679 WeakPolarHBondContact O-CA 3.49Å; T619-L680 PolarHBondContact O-N 2.66Å; T619-L682 HydrophobicContact CG2-CD1 3.74Å
620	T	98.5	Very high	95.1	Very high	4 Å²	4	44.2 Å²	44.2	3%	0.025	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	138.4	175.1	-179	0	0	0	0	111.6	V618 T625 S626 L627 V629 D678 H679	V618-T620 WeakPolarHBondContact CG1-O 3.32Å; T620-T625 HydrophobicContact CG2-CG2 4.18Å; T620-S626 CarbonylContact O-C 3.5Å; T620-S626 VanDerWaalsContact O-CA 3.29Å; T620-S626 WeakPolarHBondContact O-CA 3.27Å; T620-L627 PolarHBondContact N-O 2.93Å; T620-L627 PolarHBondContact O-N 2.72Å; T620-V629 HydrophobicContact CG2-CG2 3.73Å; T620-D678 WeakPolarHBondContact CA-O 3.44Å; T620-D678 PolarHBondContact OG1-O 2.82Å; T620-H679 PolarHBondContact OG1-CD2 3.49Å; T620-H679 VanDerWaalsContact OG1-CD2 3.3Å; T620-H679 PolarHBondContact OG1-NE2 2.71Å
621	S	97.8	Very high	95.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	106.5	-179.9	-162.3	0	0	0	0	113.8	T625 S626 L670 D678	S621-T625 WeakPolarHBondContact CA-O 3.34Å; S621-S626 WeakPolarHBondContact CB-OG 3.25Å; S621-S626 WeakPolarHBondContact OG-CB 3.44Å; S621-S626 PolarHBondContact OG-OG 3.38Å; S621-L670 WeakPolarHBondContact O-CB 3.36Å; S621-L670 PolarHBondContact O-N 2.83Å; S621-D678 PolarHBondContact N-O 3.43Å
622	H	96.6	Very high	96	Very high	9 Å²	9	36.8 Å²	36.8	4%	0.042	20%	0.201	C	C	.	.	S	Bend	trans	-133.7	-170.5	-178.1	62.6	94.7	0	0	0	110.8	Y323 R624 T625 R669 D678	Y323-H622 HydrophobicContact CD1-CB 4.36Å; Y323-H622 HydrophobicContact CE1-CB 4.01Å; H622-R624 PolarHBondContact ND1-N 2.75Å; H622-R624 PolarHBondContact O-N 3.2Å; H622-T625 PolarHBondContact N-O 3.1Å; H622-T625 WeakPolarHBondContact NE2-CG2 3.37Å; H622-R669 PolarHBondContact O-NH1 2.72Å; H622-D678 HydrophobicContact CB-CB 4.33Å; H622-D678 IonicContact CD2-OD2 3.51Å
623	S	95.4	Very high	96.6	Very high	45 Å²	45	30.5 Å²	30.5	32%	0.315	16%	0.161	S	C	.	.	S	Bend	trans	-63.8	-4.6	-174.9	-66.4	0	0	0	0	116.2	L322 H325	L322-S623 WeakPolarHBondContact O-CB 3.19Å; L322-S623 PolarHBondContact O-N 2.74Å; L322-S623 PolarHBondContact O-OG 3.01Å; L322-S623 VanDerWaalsContact O-OG 3.07Å; H325-S623 PolarHBondContact ND1-OG 3.23Å
624	R	93.8	Very high	97	Very high	183 Å²	183	27 Å²	27	69%	0.691	14%	0.141	S	C	*	.	S	Bend	trans	-125.8	-20.1	-176.5	-65.6	-62.7	-167	165.4	3.9	115.3	L322 H622	L322-R624 HydrophobicContact CD2-CB 4.02Å; L322-R624 HydrophobicContact CD2-CG 3.52Å; H622-R624 PolarHBondContact ND1-N 2.75Å; H622-R624 PolarHBondContact O-N 3.2Å
625	T	92.9	Very high	97	Very high	43 Å²	43	26.5 Å²	26.5	26%	0.264	13%	0.133	S	C	.	.			trans	-148.6	161.4	-179.1	-140.4	0	0	0	0	111.3	T620 S621 H622 L627	T620-T625 HydrophobicContact CG2-CG2 4.18Å; S621-T625 WeakPolarHBondContact CA-O 3.34Å; H622-T625 PolarHBondContact N-O 3.1Å; H622-T625 WeakPolarHBondContact NE2-CG2 3.37Å; T625-L627 HydrophobicContact CG2-CD1 4.38Å; T625-L627 HydrophobicContact CG2-CG 4.41Å; T625-L627 WeakPolarHBondContact OG1-CD1 3.27Å; T625-L627 WeakPolarHBondContact OG1-CG 3.47Å
626	S	96.4	Very high	96.3	Very high	16 Å²	16	24.3 Å²	24.3	11%	0.112	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	92.9	171.5	-164.7	0	0	0	0	107.2	T620 S621 Q661	T620-S626 CarbonylContact O-C 3.5Å; T620-S626 VanDerWaalsContact O-CA 3.29Å; T620-S626 WeakPolarHBondContact O-CA 3.27Å; S621-S626 WeakPolarHBondContact CB-OG 3.25Å; S621-S626 WeakPolarHBondContact OG-CB 3.44Å; S621-S626 PolarHBondContact OG-OG 3.38Å; S626-Q661 WeakPolarHBondContact OG-CB 3.44Å; S626-Q661 WeakPolarHBondContact OG-CG 3.19Å
627	L	96.7	Very high	94.7	Very high	54 Å²	54	23.4 Å²	23.4	28%	0.283	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	162.2	-165.4	-68.9	176.1	0	0	0	112.2	V494 T619 T620 T625 V629	V494-L627 HydrophobicContact CG1-CD1 3.88Å; V494-L627 HydrophobicContact CG1-CD2 4.22Å; V494-L627 HydrophobicContact CG1-CG 4.46Å; T619-L627 PolarHBondContact N-O 3.23Å; T620-L627 PolarHBondContact N-O 2.93Å; T620-L627 PolarHBondContact O-N 2.72Å; T625-L627 HydrophobicContact CG2-CD1 4.38Å; T625-L627 HydrophobicContact CG2-CG 4.41Å; T625-L627 WeakPolarHBondContact OG1-CD1 3.27Å; T625-L627 WeakPolarHBondContact OG1-CG 3.47Å; L627-V629 HydrophobicContact CB-CG1 4.49Å
628	T	98.6	Very high	92.5	Very high	5 Å²	5	29 Å²	29	3%	0.031	15%	0.149	C	C	.	.			trans	-85.9	127.6	157.3	-70.7	0	0	0	0	110.1	V494 P495 E617 T619 Y631	V494-T628 WeakPolarHBondContact CA-O 3.14Å; P495-T628 HydrophobicContact CG-CG2 3.65Å; E617-T628 PolarHBondContact O-OG1 2.84Å; T619-T628 HydrophobicContact CG2-CG2 3.81Å; T619-T628 WeakPolarHBondContact OG1-CA 3.03Å; T628-Y631 HydrophobicContact CG2-CE1 3.94Å
629	V	98.8	Very high	89.7	Confident	7 Å²	7	35.4 Å²	35.4	4%	0.042	18%	0.183	C	C	.	.			trans	-136.3	-15.5	170.3	-63.3	0	0	0	0	113.5	F491 T619 T620 L627 Y631	F491-V629 PolarHBondContact N-O 3.34Å; T619-V629 PolarHBondContact OG1-N 2.84Å; T620-V629 HydrophobicContact CG2-CG2 3.73Å; L627-V629 HydrophobicContact CB-CG1 4.49Å; V629-Y631 WeakPolarHBondContact O-CD2 3.13Å; V629-Y631 WeakPolarHBondContact O-CE2 3.48Å
630	D	98.9	Very high	87	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.011	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	143.7	178.8	-50.4	-92.2	0	0	0	110.6	G489 T619 H679 L682	G489-D630 WeakPolarHBondContact O-CA 3.41Å; T619-D630 WeakPolarHBondContact CB-OD2 3.48Å; T619-D630 HydrophobicContact CG2-CB 4.22Å; T619-D630 PolarHBondContact OG1-N 3.32Å; T619-D630 PolarHBondContact OG1-OD2 3.19Å; D630-H679 VanDerWaalsContact CG-ND1 3.29Å; D630-H679 IonicContact OD1-CE1 3.17Å; D630-H679 IonicContact OD1-ND1 2.71Å; D630-H679 PolarHBondContact OD1-ND1 3.25Å; D630-H679 VanDerWaalsContact OD1-ND1 3.08Å; D630-H679 IonicContact OD2-CE1 3.35Å; D630-H679 IonicContact OD2-CG 2.7Å; D630-H679 IonicContact OD2-ND1 3.62Å; D630-H679 PolarHBondContact OD2-ND1 2.97Å; D630-L682 HydrophobicContact CB-CD1 3.79Å; D630-L682 HydrophobicContact CB-CD2 4.22Å; D630-L682 WeakPolarHBondContact O-CD2 3.28Å
631	Y	98.9	Very high	83.9	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.008	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	150.7	-179.8	-58.2	-88.4	0	0	0	112.1	C488 G489 F491 S493 P495 Y500 H608 T628 V629 L633	C488-Y631 WeakPolarHBondContact CA-O 3.1Å; G489-Y631 PolarHBondContact N-O 3.18Å; G489-Y631 PolarHBondContact O-N 2.99Å; G489-Y631 VanDerWaalsContact O-N 3.07Å; F491-Y631 HydrophobicContact CB-CD2 3.98Å; F491-Y631 HydrophobicContact CB-CE2 4.04Å; F491-Y631 AromaticContact CD2-CD2 3.66Å; F491-Y631 HydrophobicContact CD2-CD2 3.66Å; F491-Y631 HydrophobicContact CD2-CG 4.45Å; F491-Y631 HydrophobicContact CG-CD2 4.01Å; S493-Y631 VanDerWaalsContact O-CE2 3.31Å; S493-Y631 WeakPolarHBondContact O-CE2 3.46Å; S493-Y631 PolarHBondContact O-OH 3.33Å; P495-Y631 VanDerWaalsContact CD-OH 3.25Å; P495-Y631 WeakPolarHBondContact CD-OH 3.32Å; P495-Y631 HydrophobicContact CG-CE1 4.3Å; Y500-Y631 AromaticContact CD2-CD1 4Å; Y500-Y631 HydrophobicContact CD2-CD1 4Å; Y500-Y631 AromaticContact CD2-CE1 3.38Å; Y500-Y631 HydrophobicContact CD2-CE1 3.38Å; Y500-Y631 AromaticContact CD2-CZ 3.73Å; Y500-Y631 AromaticContact CE2-CD1 3.77Å; Y500-Y631 HydrophobicContact CE2-CD1 3.77Å; Y500-Y631 AromaticContact CE2-CE1 3.4Å; Y500-Y631 HydrophobicContact CE2-CE1 3.4Å; Y500-Y631 VanDerWaalsContact CE2-CE1 3.4Å; H608-Y631 AromaticContact CE1-CD1 3.67Å; H608-Y631 AromaticContact CE1-CE1 3.42Å; H608-Y631 VanDerWaalsContact CE1-CE1 3.42Å; H608-Y631 WeakPolarHBondContact CE1-CE1 3.4Å; H608-Y631 AromaticContact NE2-CE1 3.94Å; T628-Y631 HydrophobicContact CG2-CE1 3.94Å; V629-Y631 WeakPolarHBondContact O-CD2 3.13Å; V629-Y631 WeakPolarHBondContact O-CE2 3.48Å; Y631-L633 HydrophobicContact CD1-CD2 4.35Å; Y631-L633 HydrophobicContact CG-CD2 4.41Å
632	I	98.8	Very high	81.2	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	103.4	155.6	-54.8	178.9	0	0	0	106.7	V305 I486 S605 L682 V684 F686	V305-I632 HydrophobicContact CG1-CD1 4.5Å; I486-I632 HydrophobicContact CG2-CG2 4.02Å; S605-I632 PolarHBondContact N-O 2.85Å; S605-I632 VanDerWaalsContact N-O 3.12Å; S605-I632 PolarHBondContact OG-O 3.32Å; I632-L682 HydrophobicContact CD1-CB 3.81Å; I632-L682 HydrophobicContact CG1-CB 4.03Å; I632-L682 HydrophobicContact CG1-CD2 4.2Å; I632-V684 HydrophobicContact CD1-CG1 4.21Å; I632-V684 HydrophobicContact CD1-CG2 3.87Å; I632-V684 HydrophobicContact CG2-CG2 4.02Å; I632-F686 HydrophobicContact CG2-CE2 4.39Å; I632-F686 HydrophobicContact CG2-CZ 3.97Å
633	L	98.6	Very high	78.2	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	148.6	175.5	-53	-175.6	0	0	0	110	I486 L487 L503 L602 Q603 Y631	I486-L633 CarbonylContact C-O 3.59Å; I486-L633 WeakPolarHBondContact CA-O 3.4Å; L487-L633 HydrophobicContact CB-CB 4.33Å; L487-L633 PolarHBondContact N-O 3.31Å; L487-L633 PolarHBondContact O-N 2.76Å; L503-L633 HydrophobicContact CB-CD1 3.84Å; L503-L633 HydrophobicContact CD1-CD1 3.89Å; L503-L633 HydrophobicContact CD2-CD1 4.06Å; L503-L633 HydrophobicContact CG-CD1 4.16Å; L602-L633 HydrophobicContact CB-CB 4.28Å; L602-L633 HydrophobicContact CD1-CB 4.45Å; L602-L633 HydrophobicContact CD1-CD1 4.43Å; Q603-L633 CarbonylContact O-C 3.55Å; Q603-L633 VanDerWaalsContact O-CA 3.26Å; Q603-L633 WeakPolarHBondContact O-CA 3.11Å; Y631-L633 HydrophobicContact CD1-CD2 4.35Å; Y631-L633 HydrophobicContact CG-CD2 4.41Å
634	Y	97.1	Very high	75.2	Confident	12 Å²	12	56.3 Å²	56.3	5%	0.047	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	150	-178.4	66.4	-77.4	0	0	0	113.1	V485 L602 Q603 L650 L652 F686	V485-Y634 VanDerWaalsContact O-CA 3.26Å; V485-Y634 WeakPolarHBondContact O-CA 3.25Å; L602-Y634 CarbonylContact C-O 3.59Å; L602-Y634 WeakPolarHBondContact CA-O 3.42Å; Q603-Y634 HydrophobicContact CG-CD1 4.28Å; Q603-Y634 HydrophobicContact CG-CD2 4.45Å; Q603-Y634 HydrophobicContact CG-CE1 3.79Å; Q603-Y634 HydrophobicContact CG-CE2 4.01Å; Q603-Y634 PolarHBondContact N-O 2.95Å; Q603-Y634 VanDerWaalsContact NE2-CZ 3.31Å; Q603-Y634 PolarHBondContact NE2-OH 2.85Å; Q603-Y634 VanDerWaalsContact O-CD1 3.28Å; Q603-Y634 WeakPolarHBondContact O-CD1 3.12Å; Q603-Y634 PolarHBondContact O-N 2.82Å; Y634-L650 HydrophobicContact CD2-CB 4.01Å; Y634-L650 VanDerWaalsContact CE2-O 3.32Å; Y634-L650 WeakPolarHBondContact CE2-O 3.27Å; Y634-L652 HydrophobicContact CE1-CB 4.43Å; Y634-L652 HydrophobicContact CE1-CD2 4.43Å; Y634-L652 HydrophobicContact CE2-CB 4.36Å; Y634-L652 VanDerWaalsContact OH-CB 3.29Å; Y634-L652 WeakPolarHBondContact OH-CB 3.35Å; Y634-F686 HydrophobicContact CD1-CD1 4.43Å; Y634-F686 AromaticContact CD1-CE1 3.41Å; Y634-F686 HydrophobicContact CD1-CE1 3.41Å; Y634-F686 VanDerWaalsContact CD1-CE1 3.41Å; Y634-F686 AromaticContact CD1-CZ 3.92Å; Y634-F686 HydrophobicContact CD1-CZ 3.92Å; Y634-F686 HydrophobicContact CD2-CD1 4.13Å; Y634-F686 AromaticContact CD2-CE1 3.83Å; Y634-F686 HydrophobicContact CD2-CE1 3.83Å; Y634-F686 AromaticContact CE1-CE1 3.74Å; Y634-F686 HydrophobicContact CE1-CE1 3.74Å; Y634-F686 HydrophobicContact CE2-CD1 4.26Å; Y634-F686 HydrophobicContact CE2-CE1 4.1Å; Y634-F686 HydrophobicContact CG-CD1 4.19Å; Y634-F686 AromaticContact CG-CE1 3.44Å; Y634-F686 HydrophobicContact CG-CE1 3.44Å; Y634-F686 VanDerWaalsContact CG-CE1 3.44Å; Y634-F686 AromaticContact CG-CZ 3.95Å; Y634-F686 HydrophobicContact CG-CZ 3.95Å
635	S	91.8	Very high	72.3	Confident	14 Å²	14	52.7 Å²	52.7	10%	0.098	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	131	171.9	59.5	0	0	0	0	111.1	P484 V485 L650	P484-S635 WeakPolarHBondContact CA-OG 3.28Å; V485-S635 PolarHBondContact N-OG 3.21Å; V485-S635 PolarHBondContact O-N 2.89Å; V485-S635 PolarHBondContact O-OG 3.2Å; S635-L650 PolarHBondContact O-N 2.89Å
636	S	81.1	Confident	69.9	Low	27 Å²	27	53.2 Å²	53.2	19%	0.189	33%	0.33	C	S	.	.			trans	-125	146.2	-170.7	-172.1	0	0	0	0	113.7	Q603 I638	Q603-S636 VanDerWaalsContact NE2-CB 3.27Å; Q603-S636 PolarHBondContact NE2-OG 2.91Å; S636-I638 PolarHBondContact O-N 3.03Å
637	D	64.3	Low	67.8	Low	60 Å²	60	53 Å²	53	32%	0.321	33%	0.331	S	S	.	.			trans	-80.5	42	-179	-85.6	-29.4	0	0	0	113.5	N639 A640 G647 R648 G649	D637-N639 PolarHBondContact O-N 3.06Å; D637-A640 HydrophobicContact CB-CB 4.03Å; D637-A640 WeakPolarHBondContact O-CB 3.47Å; D637-A640 PolarHBondContact O-N 3.49Å; D637-G647 WeakPolarHBondContact OD1-CA 3.41Å; D637-G647 VanDerWaalsContact OD2-C 3.26Å; D637-G647 VanDerWaalsContact OD2-CA 3.32Å; D637-G647 WeakPolarHBondContact OD2-CA 3.38Å; D637-R648 PolarHBondContact OD1-N 2.95Å; D637-R648 PolarHBondContact OD2-N 2.79Å; D637-R648 VanDerWaalsContact OD2-N 3.08Å; D637-G649 PolarHBondContact OD1-N 3.49Å; D637-G649 WeakPolarHBondContact OD2-CA 3.44Å; D637-G649 PolarHBondContact OD2-N 3.46Å
638	I	51.3	Low	66.3	Low	121 Å²	121	53.5 Å²	53.5	62%	0.621	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-21.4	-178.5	-67.1	162.1	0	0	0	112.9	S636	S636-I638 PolarHBondContact O-N 3.03Å
639	N	39.8	Very low	65.1	Low	139 Å²	139	53.5 Å²	53.5	74%	0.743	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	3	179.4	-70.7	23.5	0	0	0	114.4	D637 T641	D637-N639 PolarHBondContact O-N 3.06Å; N639-T641 VanDerWaalsContact C-N 3.33Å; N639-T641 PolarHBondContact O-N 3.3Å
640	A	41.3	Very low	64.6	Low	51 Å²	51	53.3 Å²	53.3	42%	0.421	33%	0.329	S	S	.	.			trans	-76.8	82	175.8	0	0	0	0	0	110.6	D637	D637-A640 HydrophobicContact CB-CB 4.03Å; D637-A640 WeakPolarHBondContact O-CB 3.47Å; D637-A640 PolarHBondContact O-N 3.49Å
641	T	34.2	Very low	64.2	Low	74 Å²	74	55.5 Å²	55.5	45%	0.454	34%	0.339	S	S	.	.			trans	-56.6	131	160.9	48	0	0	0	0	108.4	N639 S643 L644	N639-T641 VanDerWaalsContact C-N 3.33Å; N639-T641 PolarHBondContact O-N 3.3Å; T641-S643 PolarHBondContact O-N 3.24Å; T641-L644 PolarHBondContact O-N 3.34Å
642	P	39.9	Very low	63.9	Low	148 Å²	148	56.2 Å²	56.2	96%	0.961	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	12.3	-169.9	27.7	-36.6	0	0	0	115.3
643	S	33	Very low	63.7	Low	101 Å²	101	57.6 Å²	57.6	71%	0.706	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	0.2	175.8	56.1	0	0	0	0	113.9	T641	T641-S643 PolarHBondContact O-N 3.24Å
644	L	33.5	Very low	63.6	Low	124 Å²	124	57.9 Å²	57.9	65%	0.649	35%	0.353	S	S	*	.	S	Bend	trans	-127.2	109	179.2	-91.9	164.9	0	0	0	110.1	T641	T641-L644 PolarHBondContact O-N 3.34Å
645	P	33.3	Very low	63.6	Low	107 Å²	107	58.8 Å²	58.8	70%	0.695	36%	0.356	S	S	*	.			trans	-72.2	146.1	175.9	30.4	-34	0	0	0	111.1	D691	P645-D691 WeakPolarHBondContact CA-OD2 3.21Å; P645-D691 WeakPolarHBondContact CB-OD2 3.31Å
646	G	42.4	Very low	63.9	Low	53 Å²	53	58.4 Å²	58.4	55%	0.546	35%	0.353	S	S	.	.			trans	129.9	16.2	177.5	0	0	0	0	0	116.5	D691	G646-D691 PolarHBondContact N-OD2 2.99Å
647	G	51.8	Low	64.7	Low	12 Å²	12	57.1 Å²	57.1	12%	0.124	34%	0.344	C	S	.	.			trans	-62.3	138.8	168.7	0	0	0	0	0	112.2	D637 S692	D637-G647 WeakPolarHBondContact OD1-CA 3.41Å; D637-G647 VanDerWaalsContact OD2-C 3.26Å; D637-G647 VanDerWaalsContact OD2-CA 3.32Å; D637-G647 WeakPolarHBondContact OD2-CA 3.38Å; G647-S692 PolarHBondContact O-OG 3.46Å
648	R	64.1	Low	66.3	Low	64 Å²	64	54.5 Å²	54.5	24%	0.242	33%	0.33	C	S	.	.			trans	-133.8	10.4	179.4	-68	-169.8	179.7	-133.7	-2.5	113.3	Y441 L477 P484 D637	Y441-R648 VanDerWaalsContact CE1-CZ 3.46Å; L477-R648 VanDerWaalsContact CD1-NH1 3.3Å; P484-R648 VanDerWaalsContact CB-O 3.29Å; P484-R648 WeakPolarHBondContact CB-O 3.34Å; P484-R648 VanDerWaalsContact CD-O 3.28Å; P484-R648 WeakPolarHBondContact CD-O 3.45Å; P484-R648 WeakPolarHBondContact CG-O 3.29Å; D637-R648 PolarHBondContact OD1-N 2.95Å; D637-R648 PolarHBondContact OD2-N 2.79Å; D637-R648 VanDerWaalsContact OD2-N 3.08Å
649	G	75.2	Confident	68.4	Low	5 Å²	5	49.2 Å²	49.2	5%	0.052	30%	0.303	C	S	.	.	S	Bend	trans	-84.1	-174.2	176.4	0	0	0	0	0	112.9	D637	D637-G649 PolarHBondContact OD1-N 3.49Å; D637-G649 WeakPolarHBondContact OD2-CA 3.44Å; D637-G649 PolarHBondContact OD2-N 3.46Å
650	L	88.3	Confident	71.1	Confident	3 Å²	3	42.7 Å²	42.7	2%	0.016	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	136.3	177.1	-63.9	174.6	0	0	0	110.8	F303 P484 I486 Y634 S635 F686 L688	F303-L650 HydrophobicContact CE1-CD2 3.94Å; F303-L650 HydrophobicContact CZ-CD1 4.13Å; F303-L650 HydrophobicContact CZ-CD2 3.96Å; P484-L650 HydrophobicContact CB-CD1 4.32Å; P484-L650 HydrophobicContact CB-CD2 4.2Å; P484-L650 HydrophobicContact CB-CG 3.89Å; P484-L650 HydrophobicContact CG-CD2 4.49Å; I486-L650 HydrophobicContact CD1-CD1 3.67Å; I486-L650 HydrophobicContact CG1-CD1 3.48Å; I486-L650 VanDerWaalsContact CG1-CD1 3.48Å; Y634-L650 HydrophobicContact CD2-CB 4.01Å; Y634-L650 VanDerWaalsContact CE2-O 3.32Å; Y634-L650 WeakPolarHBondContact CE2-O 3.27Å; S635-L650 PolarHBondContact O-N 2.89Å; L650-F686 HydrophobicContact CB-CB 4.14Å; L650-F686 HydrophobicContact CB-CD1 4.23Å; L650-F686 HydrophobicContact CB-CG 4.22Å; L650-F686 HydrophobicContact CD1-CD2 4.24Å; L650-F686 HydrophobicContact CD1-CG 4.32Å; L650-L688 HydrophobicContact CD2-CB 4.15Å; L650-L688 HydrophobicContact CD2-CD1 3.96Å
651	Q	89.9	Confident	73.7	Confident	49 Å²	49	44.2 Å²	44.2	23%	0.229	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	117.7	170.5	176.1	-178.6	58.7	0	0	109.6	S289 E291 L653 F686 R687	S289-Q651 PolarHBondContact OG-NE2 2.9Å; S289-Q651 VanDerWaalsContact OG-NE2 3.14Å; E291-Q651 PolarHBondContact OE2-NE2 3.17Å; Q651-L653 HydrophobicContact CG-CD2 4.29Å; Q651-L653 PolarHBondContact O-N 3.06Å; Q651-F686 WeakPolarHBondContact O-CB 3.49Å; Q651-R687 HydrophobicContact CB-CB 4.29Å; Q651-R687 PolarHBondContact N-O 2.87Å; Q651-R687 PolarHBondContact O-N 2.79Å
652	L	93.3	Very high	76.6	Confident	17 Å²	17	43.2 Å²	43.2	9%	0.089	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	112	173.7	178.6	67.5	0	0	0	110.9	C288 S289 Y634 G654 V684 F686	C288-L652 HydrophobicContact CB-CD2 3.86Å; C288-L652 HydrophobicContact CB-CG 3.76Å; S289-L652 WeakPolarHBondContact CB-O 3.41Å; Y634-L652 HydrophobicContact CE1-CB 4.43Å; Y634-L652 HydrophobicContact CE1-CD2 4.43Å; Y634-L652 HydrophobicContact CE2-CB 4.36Å; Y634-L652 VanDerWaalsContact OH-CB 3.29Å; Y634-L652 WeakPolarHBondContact OH-CB 3.35Å; L652-G654 WeakPolarHBondContact CD1-O 3.47Å; L652-V684 HydrophobicContact CD1-CB 3.9Å; L652-V684 HydrophobicContact CD1-CG1 4.25Å; L652-F686 HydrophobicContact CB-CD1 3.93Å; L652-F686 HydrophobicContact CB-CE1 4.27Å; L652-F686 HydrophobicContact CD1-CD1 3.79Å; L652-F686 HydrophobicContact CD1-CE1 3.76Å; L652-F686 HydrophobicContact CG-CD1 4.48Å
653	L	94	Very high	79.2	Confident	29 Å²	29	38.6 Å²	38.6	15%	0.152	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-38.8	178.2	-57.3	-178.9	0	0	0	112.1	C288 S289 D302 Q651 R685 R687	C288-L653 PolarHBondContact N-O 3.41Å; S289-L653 PolarHBondContact N-O 3.15Å; D302-L653 HydrophobicContact CB-CD1 4.18Å; D302-L653 WeakPolarHBondContact OD2-CD1 3.35Å; Q651-L653 HydrophobicContact CG-CD2 4.29Å; Q651-L653 PolarHBondContact O-N 3.06Å; L653-R685 HydrophobicContact CB-CB 4.18Å; L653-R685 PolarHBondContact N-O 3.42Å; L653-R687 HydrophobicContact CD1-CB 4.04Å; L653-R687 HydrophobicContact CD2-CB 3.85Å; L653-R687 HydrophobicContact CG-CB 3.97Å
654	G	95.9	Very high	82.2	Confident	5 Å²	5	33.8 Å²	33.8	5%	0.052	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179	170.4	-176.8	0	0	0	0	0	113.4	E286 L652 V684 R685	E286-G654 CarbonylContact O-C 3.29Å; E286-G654 WeakPolarHBondContact O-CA 3.48Å; L652-G654 WeakPolarHBondContact CD1-O 3.47Å; G654-V684 CarbonylContact O-C 3.39Å; G654-V684 WeakPolarHBondContact O-CA 3.49Å; G654-R685 PolarHBondContact O-N 3.43Å
655	R	97.8	Very high	85.1	Confident	32 Å²	32	31.7 Å²	31.7	12%	0.121	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	153.3	-176.8	67.6	-168	-174.9	-175.2	9.8	111.7	W285 E286 S605 Y606 G607 E617 L683 V684	W285-R655 WeakPolarHBondContact CA-O 3.39Å; E286-R655 HydrophobicContact CB-CG 4.04Å; E286-R655 PolarHBondContact N-O 3.45Å; E286-R655 PolarHBondContact O-N 3.13Å; E286-R655 IonicContact OE2-CZ 2.82Å; E286-R655 IonicContact OE2-NE 3.77Å; E286-R655 PolarHBondContact OE2-NE 3.24Å; E286-R655 IonicContact OE2-NH2 2.76Å; E286-R655 PolarHBondContact OE2-NH2 2.99Å; S605-R655 VanDerWaalsContact O-CD 3.25Å; S605-R655 WeakPolarHBondContact O-CD 3.5Å; S605-R655 PolarHBondContact O-NH1 2.83Å; Y606-R655 HydrophobicContact CE1-CB 4.34Å; Y606-R655 HydrophobicContact CE1-CG 4.24Å; G607-R655 VanDerWaalsContact N-NH1 3.15Å; E617-R655 IonicContact OE1-NH2 3.61Å; R655-L683 CarbonylContact C-O 3.55Å; R655-L683 VanDerWaalsContact CA-O 3.3Å; R655-L683 WeakPolarHBondContact CA-O 3.38Å; R655-V684 HydrophobicContact CB-CG1 3.93Å
656	L	97.9	Very high	87.9	Confident	6 Å²	6	33.7 Å²	33.7	3%	0.031	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	122.1	167.1	-175.3	66.6	0	0	0	108.3	R283 Y606 L683	R283-L656 HydrophobicContact CB-CD1 3.93Å; R283-L656 HydrophobicContact CB-CG 4.17Å; Y606-L656 VanDerWaalsContact CE1-O 3.28Å; Y606-L656 WeakPolarHBondContact CE1-O 3.34Å; Y606-L656 PolarHBondContact OH-O 3.28Å; L656-L683 HydrophobicContact CB-CB 3.88Å; L656-L683 HydrophobicContact CB-CD2 4.26Å; L656-L683 HydrophobicContact CB-CG 4.39Å; L656-L683 HydrophobicContact CD2-CB 4.25Å; L656-L683 HydrophobicContact CD2-CD2 4.08Å; L656-L683 PolarHBondContact N-O 3.33Å
657	S	97.1	Very high	90.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.158	C	C	.	.			trans	-55.4	149.1	-176.3	58.9	0	0	0	0	112.4	R283 Y284 E286	R283-S657 VanDerWaalsContact CZ-O 3.29Å; R283-S657 PolarHBondContact NE-O 3.19Å; R283-S657 PolarHBondContact NH2-O 2.64Å; Y284-S657 WeakPolarHBondContact CD1-OG 3.36Å; Y284-S657 WeakPolarHBondContact CE1-OG 3.34Å; Y284-S657 PolarHBondContact N-OG 2.88Å; Y284-S657 PolarHBondContact O-N 2.89Å; Y284-S657 PolarHBondContact O-OG 3.11Å; E286-S657 WeakPolarHBondContact OE1-CB 3.35Å
658	L	97.4	Very high	92.3	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.021	18%	0.179	C	C	.	.			trans	-92.7	174.3	164.2	-70.5	172.8	0	0	0	109.2	Y606 L610 E617 T619 L680 L682	Y606-L658 HydrophobicContact CD1-CD1 3.51Å; Y606-L658 HydrophobicContact CD1-CG 3.78Å; Y606-L658 HydrophobicContact CE1-CD1 3.88Å; Y606-L658 HydrophobicContact CE1-CG 3.65Å; Y606-L658 HydrophobicContact CG-CD1 3.96Å; L610-L658 WeakPolarHBondContact CD2-O 3.41Å; E617-L658 HydrophobicContact CB-CB 3.92Å; E617-L658 HydrophobicContact CB-CD1 3.92Å; E617-L658 HydrophobicContact CG-CB 3.93Å; E617-L658 HydrophobicContact CG-CD1 4.39Å; T619-L658 HydrophobicContact CG2-CD1 3.72Å; T619-L658 HydrophobicContact CG2-CD2 4.25Å; L658-L680 HydrophobicContact CD2-CB 4.49Å; L658-L680 HydrophobicContact CD2-CD1 4.36Å; L658-L682 HydrophobicContact CD2-CD1 4.4Å
659	V	96.7	Very high	93.8	Very high	11 Å²	11	36.3 Å²	36.3	7%	0.067	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-125	172.9	179.2	-63.1	0	0	0	0	110	L281 R283 V618 E663 L664 L680	L281-V659 HydrophobicContact CD1-CG1 4.17Å; L281-V659 HydrophobicContact CD1-CG2 4.2Å; L281-V659 HydrophobicContact CD2-CG1 4.44Å; L281-V659 HydrophobicContact CD2-CG2 3.98Å; L281-V659 HydrophobicContact CG-CG1 4.3Å; R283-V659 HydrophobicContact CG-CG1 4.38Å; V618-V659 PolarHBondContact N-O 2.82Å; V659-E663 HydrophobicContact CB-CB 3.98Å; V659-E663 HydrophobicContact CB-CG 4.37Å; V659-E663 HydrophobicContact CG1-CB 4.48Å; V659-E663 HydrophobicContact CG2-CB 4.45Å; V659-L664 HydrophobicContact CG2-CD1 3.99Å; V659-L664 HydrophobicContact CG2-CD2 3.91Å; V659-L664 HydrophobicContact CG2-CG 3.67Å; V659-L680 HydrophobicContact CG2-CD1 3.84Å
660	G	96.6	Very high	94.8	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.01	18%	0.175	C	C	.	.			trans	-91.4	179.8	175.2	0	0	0	0	0	112.3	S662 E663 L664	G660-S662 VanDerWaalsContact C-N 3.26Å; G660-S662 PolarHBondContact O-N 3.18Å; G660-E663 WeakPolarHBondContact CA-OE2 3.29Å; G660-E663 PolarHBondContact N-OE2 3.02Å; G660-L664 PolarHBondContact O-N 3.28Å
661	Q	95.9	Very high	95.3	Very high	84 Å²	84	36 Å²	36	39%	0.393	18%	0.175	S	C	.	.	H	α-helix	trans	-61.8	-35.5	172.2	174.1	175.4	-19.4	0	0	112	V618 S626 L664 E665	V618-Q661 HydrophobicContact CG2-CB 4.4Å; S626-Q661 WeakPolarHBondContact OG-CB 3.44Å; S626-Q661 WeakPolarHBondContact OG-CG 3.19Å; Q661-L664 PolarHBondContact O-N 3.45Å; Q661-E665 HydrophobicContact CG-CG 4.19Å; Q661-E665 PolarHBondContact NE2-OE1 2.87Å; Q661-E665 WeakPolarHBondContact O-CG 3.2Å; Q661-E665 PolarHBondContact O-N 3.08Å
662	S	94.5	Very high	95.5	Very high	53 Å²	53	34.2 Å²	34.2	37%	0.371	17%	0.166	S	C	.	.	H	α-helix	trans	-64.3	-48.4	-174.8	-47.9	0	0	0	0	112	R615 G660 L664 E665 E666	R615-S662 PolarHBondContact NH1-OG 3.29Å; G660-S662 VanDerWaalsContact C-N 3.26Å; G660-S662 PolarHBondContact O-N 3.18Å; S662-L664 VanDerWaalsContact C-N 3.26Å; S662-L664 PolarHBondContact O-N 3.18Å; S662-E665 PolarHBondContact O-N 3.03Å; S662-E665 VanDerWaalsContact O-N 3.11Å; S662-E666 PolarHBondContact O-N 3.17Å
663	E	95.1	Very high	95.6	Very high	50 Å²	50	35.4 Å²	35.4	23%	0.234	17%	0.17	C	C	.	.	H	α-helix	trans	-63.6	-33.5	177.4	-63.6	78.4	-178.8	0	0	111.6	L281 R615 V659 G660 V667	L281-E663 HydrophobicContact CD1-CB 4.13Å; R615-E663 IonicContact CZ-OE1 2.79Å; R615-E663 VanDerWaalsContact CZ-OE1 3.25Å; R615-E663 IonicContact CZ-OE2 3.61Å; R615-E663 VanDerWaalsContact NH1-CD 3.27Å; R615-E663 IonicContact NH1-OE1 2.77Å; R615-E663 PolarHBondContact NH1-OE1 2.85Å; R615-E663 IonicContact NH1-OE2 2.69Å; R615-E663 PolarHBondContact NH1-OE2 3.04Å; R615-E663 IonicContact NH2-OE1 3.46Å; R615-E663 PolarHBondContact NH2-OE1 3.03Å; R615-E663 IonicContact NH2-OE2 3.25Å; V659-E663 HydrophobicContact CB-CB 3.98Å; V659-E663 HydrophobicContact CB-CG 4.37Å; V659-E663 HydrophobicContact CG1-CB 4.48Å; V659-E663 HydrophobicContact CG2-CB 4.45Å; G660-E663 WeakPolarHBondContact CA-OE2 3.29Å; G660-E663 PolarHBondContact N-OE2 3.02Å; E663-V667 PolarHBondContact O-N 2.79Å
664	L	95.5	Very high	95.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-72.6	-36.3	173.5	-69.7	173.3	0	0	0	111.9	L281 V618 V659 G660 Q661 S662 V667 H668 R669 L670 L680	L281-L664 HydrophobicContact CD1-CD2 4.27Å; L281-L664 HydrophobicContact CD2-CD2 3.69Å; V618-L664 HydrophobicContact CB-CD1 3.95Å; V618-L664 HydrophobicContact CG1-CD1 3.49Å; V618-L664 VanDerWaalsContact CG1-CD1 3.49Å; V659-L664 HydrophobicContact CG2-CD1 3.99Å; V659-L664 HydrophobicContact CG2-CD2 3.91Å; V659-L664 HydrophobicContact CG2-CG 3.67Å; G660-L664 PolarHBondContact O-N 3.28Å; Q661-L664 PolarHBondContact O-N 3.45Å; S662-L664 VanDerWaalsContact C-N 3.26Å; S662-L664 PolarHBondContact O-N 3.18Å; L664-V667 HydrophobicContact CD2-CG2 4.36Å; L664-V667 WeakPolarHBondContact O-CG2 3.41Å; L664-V667 PolarHBondContact O-N 3.07Å; L664-H668 PolarHBondContact O-N 3.37Å; L664-R669 VanDerWaalsContact O-CA 3.25Å; L664-R669 WeakPolarHBondContact O-CA 3.47Å; L664-R669 PolarHBondContact O-N 2.97Å; L664-L670 HydrophobicContact CD1-CD1 4.43Å; L664-L670 HydrophobicContact CD2-CD1 3.95Å; L664-L670 HydrophobicContact CD2-CD2 4.09Å; L664-L670 HydrophobicContact CD2-CG 4.07Å; L664-L680 HydrophobicContact CD1-CD1 4.46Å; L664-L680 HydrophobicContact CD2-CD1 4.35Å; L664-L680 HydrophobicContact CD2-CD2 4.49Å
665	E	94	Very high	95.5	Very high	81 Å²	81	38.4 Å²	38.4	38%	0.379	18%	0.182	S	C	.	.	H	α-helix	trans	-67	-35.2	174.2	-74.9	172.6	159.1	0	0	112.6	Q661 S662 V667 H668 R669	Q661-E665 HydrophobicContact CG-CG 4.19Å; Q661-E665 PolarHBondContact NE2-OE1 2.87Å; Q661-E665 WeakPolarHBondContact O-CG 3.2Å; Q661-E665 PolarHBondContact O-N 3.08Å; S662-E665 PolarHBondContact O-N 3.03Å; S662-E665 VanDerWaalsContact O-N 3.11Å; E665-V667 VanDerWaalsContact C-N 3.3Å; E665-V667 PolarHBondContact O-N 2.96Å; E665-H668 PolarHBondContact O-N 3.22Å; E665-H668 VanDerWaalsContact O-N 3.11Å; E665-R669 HydrophobicContact CG-CG 4.18Å; E665-R669 IonicContact OE1-CZ 3.54Å; E665-R669 IonicContact OE1-NE 3.08Å; E665-R669 IonicContact OE1-NH2 3.39Å; E665-R669 PolarHBondContact OE1-NH2 3.17Å
666	E	93.4	Very high	95.5	Very high	148 Å²	148	36.9 Å²	36.9	69%	0.692	18%	0.176	S	C	*	.	H	α-helix	trans	-61.6	-33.3	172.8	-73.9	176.1	-158.1	0	0	113.2	S662 H668	S662-E666 PolarHBondContact O-N 3.17Å; E666-H668 VanDerWaalsContact C-N 3.31Å
667	V	92.7	Very high	95.5	Very high	9 Å²	9	36.6 Å²	36.6	6%	0.055	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	18.4	174.7	-53.6	0	0	0	0	113.7	V278 N279 L281 E663 L664 E665 R669 N672	V278-V667 HydrophobicContact CG1-CB 4.12Å; V278-V667 HydrophobicContact CG1-CG1 4.39Å; N279-V667 WeakPolarHBondContact O-CG1 3.46Å; L281-V667 HydrophobicContact CB-CG1 4.39Å; L281-V667 HydrophobicContact CD1-CG1 4.23Å; L281-V667 HydrophobicContact CD1-CG2 4.28Å; E663-V667 PolarHBondContact O-N 2.79Å; L664-V667 HydrophobicContact CD2-CG2 4.36Å; L664-V667 WeakPolarHBondContact O-CG2 3.41Å; L664-V667 PolarHBondContact O-N 3.07Å; E665-V667 VanDerWaalsContact C-N 3.3Å; E665-V667 PolarHBondContact O-N 2.96Å; V667-R669 PolarHBondContact O-N 2.83Å; V667-N672 PolarHBondContact O-ND2 2.78Å
668	H	92.9	Very high	95.6	Very high	120 Å²	120	36.9 Å²	36.9	56%	0.556	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	32.2	-178.2	-57	-61.9	0	0	0	115.4	H325 L664 E665 E666	H325-H668 PolarHBondContact CD2-O 2.97Å; H325-H668 VanDerWaalsContact CD2-O 3.22Å; L664-H668 PolarHBondContact O-N 3.37Å; E665-H668 PolarHBondContact O-N 3.22Å; E665-H668 VanDerWaalsContact O-N 3.11Å; E666-H668 VanDerWaalsContact C-N 3.31Å
669	R	95.1	Very high	95.6	Very high	56 Å²	56	37.1 Å²	37.1	21%	0.211	18%	0.177	C	C	.	.	S	Bend	trans	57.9	-161.4	-178.2	-59.9	-170.3	-177.1	-168.1	2.2	112.6	H622 L664 E665 V667 N672	H622-R669 PolarHBondContact O-NH1 2.72Å; L664-R669 VanDerWaalsContact O-CA 3.25Å; L664-R669 WeakPolarHBondContact O-CA 3.47Å; L664-R669 PolarHBondContact O-N 2.97Å; E665-R669 HydrophobicContact CG-CG 4.18Å; E665-R669 IonicContact OE1-CZ 3.54Å; E665-R669 IonicContact OE1-NE 3.08Å; E665-R669 IonicContact OE1-NH2 3.39Å; E665-R669 PolarHBondContact OE1-NH2 3.17Å; V667-R669 PolarHBondContact O-N 2.83Å; R669-N672 WeakPolarHBondContact O-CB 3.11Å; R669-N672 PolarHBondContact O-ND2 3.48Å
670	L	97.3	Very high	95.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-130.5	142.1	-168.1	-50.7	171	0	0	0	111	H325 S621 L664 H675 D678 L680	H325-L670 PolarHBondContact CE1-O 3.16Å; H325-L670 PolarHBondContact NE2-O 2.92Å; S621-L670 WeakPolarHBondContact O-CB 3.36Å; S621-L670 PolarHBondContact O-N 2.83Å; L664-L670 HydrophobicContact CD1-CD1 4.43Å; L664-L670 HydrophobicContact CD2-CD1 3.95Å; L664-L670 HydrophobicContact CD2-CD2 4.09Å; L664-L670 HydrophobicContact CD2-CG 4.07Å; L670-H675 HydrophobicContact CD2-CB 3.66Å; L670-D678 HydrophobicContact CB-CB 4.34Å; L670-D678 WeakPolarHBondContact CD1-O 3.43Å; L670-L680 HydrophobicContact CD1-CD2 3.86Å; L670-L680 HydrophobicContact CD1-CG 4.01Å; L670-L680 HydrophobicContact CD2-CD2 4.39Å
671	P	97.6	Very high	95.8	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	17%	0.173	C	C	.	.	S	Bend	cis	-74.3	157.5	-4.9	-11.4	28.6	0	0	0	112.7	L311 C326 L331 H675 S677 D678	L311-P671 HydrophobicContact CD2-CG 3.74Å; C326-P671 PolarHBondContact SG-O 2.93Å; L331-P671 HydrophobicContact CD2-CB 4.43Å; L331-P671 HydrophobicContact CD2-CG 4.02Å; P671-H675 CarbonylContact C-O 3.59Å; P671-H675 WeakPolarHBondContact CA-O 3.37Å; P671-H675 WeakPolarHBondContact CB-O 3.26Å; P671-S677 WeakPolarHBondContact CA-O 3.42Å; P671-D678 HydrophobicContact CG-CB 4.32Å
672	N	95.7	Very high	96	Very high	11 Å²	11	32.6 Å²	32.6	6%	0.059	16%	0.155	C	C	.	.			trans	-142.3	-167.8	178.9	66.8	41.4	0	0	0	112.1	V667 R669 H674 H675	V667-N672 PolarHBondContact O-ND2 2.78Å; R669-N672 WeakPolarHBondContact O-CB 3.11Å; R669-N672 PolarHBondContact O-ND2 3.48Å; N672-H674 PolarHBondContact O-N 3.05Å; N672-H674 VanDerWaalsContact O-N 3.17Å; N672-H674 PolarHBondContact OD1-N 2.82Å; N672-H675 PolarHBondContact N-O 3.43Å; N672-H675 PolarHBondContact OD1-N 3.37Å
673	W	94	Very high	96.2	Very high	42 Å²	42	30.1 Å²	30.1	16%	0.159	14%	0.137	C	C	.	.	S	Bend	trans	-67.7	-6.4	-178.4	-67.6	92.9	0	0	0	115.3	R272 P274 D327 A329 V330 Y335	R272-W673 VanDerWaalsContact O-CH2 3.31Å; R272-W673 WeakPolarHBondContact O-CH2 3.49Å; R272-W673 WeakPolarHBondContact O-CZ3 3.47Å; P274-W673 HydrophobicContact CB-CD2 4.09Å; P274-W673 HydrophobicContact CB-CG 4.01Å; D327-W673 HydrophobicContact CB-CZ2 3.93Å; A329-W673 HydrophobicContact CB-CH2 4.46Å; V330-W673 HydrophobicContact CG1-CD2 3.46Å; V330-W673 VanDerWaalsContact CG1-CD2 3.46Å; V330-W673 HydrophobicContact CG1-CE3 3.68Å; V330-W673 HydrophobicContact CG1-CG 3.87Å; V330-W673 HydrophobicContact CG1-CH2 4.24Å; V330-W673 HydrophobicContact CG1-CZ2 4.06Å; V330-W673 HydrophobicContact CG1-CZ3 4.06Å; Y335-W673 HydrophobicContact CE2-CE3 4.35Å; Y335-W673 HydrophobicContact CE2-CZ3 4.37Å; Y335-W673 WeakPolarHBondContact OH-CA 2.95Å; Y335-W673 PolarHBondContact OH-O 3.13Å
674	H	92.3	Very high	96.3	Very high	80 Å²	80	27.7 Å²	27.7	37%	0.37	13%	0.126	S	C	.	.	S	Bend	trans	-125.8	-33.9	-179.4	-60.7	-56.8	0	0	0	112.8	N672	N672-H674 PolarHBondContact O-N 3.05Å; N672-H674 VanDerWaalsContact O-N 3.17Å; N672-H674 PolarHBondContact OD1-N 2.82Å
675	H	95.7	Very high	96.5	Very high	17 Å²	17	33.5 Å²	33.5	8%	0.079	15%	0.148	C	C	.	.			trans	-114.2	122.1	179.3	-59.3	-74.6	0	0	0	110.3	L281 E343 L670 P671 N672	L281-H675 VanDerWaalsContact CB-NE2 3.34Å; L281-H675 WeakPolarHBondContact CB-NE2 3.25Å; E343-H675 IonicContact OE1-ND1 2.76Å; L670-H675 HydrophobicContact CD2-CB 3.66Å; P671-H675 CarbonylContact C-O 3.59Å; P671-H675 WeakPolarHBondContact CA-O 3.37Å; P671-H675 WeakPolarHBondContact CB-O 3.26Å; N672-H675 PolarHBondContact N-O 3.43Å; N672-H675 PolarHBondContact OD1-N 3.37Å
676	S	97.9	Very high	96.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	13%	0.13	C	C	.	.			trans	-108.4	18	-167	-72.4	0	0	0	0	114.6	R336 N339	R336-S676 WeakPolarHBondContact CD-O 3.45Å; R336-S676 PolarHBondContact NH1-O 3.29Å; N339-S676 WeakPolarHBondContact CB-OG 3.34Å; N339-S676 PolarHBondContact ND2-OG 3.18Å
677	S	98.6	Very high	96.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-123.5	165.6	159.9	-177.3	0	0	0	0	108.5	N309 P671 H679	N309-S677 WeakPolarHBondContact O-CB 3.27Å; N309-S677 PolarHBondContact O-OG 3.05Å; P671-S677 WeakPolarHBondContact CA-O 3.42Å; S677-H679 VanDerWaalsContact C-N 3.29Å; S677-H679 PolarHBondContact OG-N 3.33Å
678	D	98.5	Very high	96	Very high	6 Å²	6	23.2 Å²	23.2	3%	0.032	10%	0.098	C	C	.	.	S	Bend	trans	-84	-6.8	166.8	64.9	-35.8	0	0	0	113.3	L311 Y323 T620 S621 H622 L670 P671	L311-D678 HydrophobicContact CD2-CB 4.33Å; Y323-D678 HydrophobicContact CE1-CB 3.78Å; Y323-D678 PolarHBondContact OH-OD2 2.88Å; Y323-D678 VanDerWaalsContact OH-OD2 3.06Å; T620-D678 WeakPolarHBondContact CA-O 3.44Å; T620-D678 PolarHBondContact OG1-O 2.82Å; S621-D678 PolarHBondContact N-O 3.43Å; H622-D678 HydrophobicContact CB-CB 4.33Å; H622-D678 IonicContact CD2-OD2 3.51Å; L670-D678 HydrophobicContact CB-CB 4.34Å; L670-D678 WeakPolarHBondContact CD1-O 3.43Å; P671-D678 HydrophobicContact CG-CB 4.32Å
679	H	98.8	Very high	94.8	Very high	10 Å²	10	18.4 Å²	18.4	5%	0.046	8%	0.081	C	C	.	.	B	Isolated β-bridge	trans	-100.7	164.2	169.1	-68.1	-128.3	0	0	0	112	Y308 N309 D490 T619 T620 D630 S677	Y308-H679 WeakPolarHBondContact CE2-O 3.13Å; N309-H679 HydrophobicContact CB-CB 4.03Å; N309-H679 PolarHBondContact ND2-NE2 2.92Å; D490-H679 IonicContact OD2-CE1 2.82Å; D490-H679 PolarHBondContact OD2-CE1 3.38Å; T619-H679 CarbonylContact O-C 3.58Å; T619-H679 WeakPolarHBondContact O-CA 3.49Å; T620-H679 PolarHBondContact OG1-CD2 3.49Å; T620-H679 VanDerWaalsContact OG1-CD2 3.3Å; T620-H679 PolarHBondContact OG1-NE2 2.71Å; D630-H679 VanDerWaalsContact CG-ND1 3.29Å; D630-H679 IonicContact OD1-CE1 3.17Å; D630-H679 IonicContact OD1-ND1 2.71Å; D630-H679 PolarHBondContact OD1-ND1 3.25Å; D630-H679 VanDerWaalsContact OD1-ND1 3.08Å; D630-H679 IonicContact OD2-CE1 3.35Å; D630-H679 IonicContact OD2-CG 2.7Å; D630-H679 IonicContact OD2-ND1 3.62Å; D630-H679 PolarHBondContact OD2-ND1 2.97Å; S677-H679 VanDerWaalsContact C-N 3.29Å; S677-H679 PolarHBondContact OG-N 3.33Å
680	L	98.6	Very high	92.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.08	C	C	.	.			trans	-104.4	143.7	170.2	-64.3	178.3	0	0	0	110.6	L281 T619 L658 V659 L664 L670 L682	L281-L680 HydrophobicContact CD2-CD1 4.26Å; L281-L680 HydrophobicContact CD2-CD2 3.89Å; T619-L680 PolarHBondContact O-N 2.66Å; L658-L680 HydrophobicContact CD2-CB 4.49Å; L658-L680 HydrophobicContact CD2-CD1 4.36Å; V659-L680 HydrophobicContact CG2-CD1 3.84Å; L664-L680 HydrophobicContact CD1-CD1 4.46Å; L664-L680 HydrophobicContact CD2-CD1 4.35Å; L664-L680 HydrophobicContact CD2-CD2 4.49Å; L670-L680 HydrophobicContact CD1-CD2 3.86Å; L670-L680 HydrophobicContact CD1-CG 4.01Å; L670-L680 HydrophobicContact CD2-CD2 4.39Å; L680-L682 PolarHBondContact O-N 2.92Å
681	P	98.6	Very high	90.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.093	C	C	.	.			trans	-68.6	124.6	172.7	23.9	-28.9	0	0	0	110.9	R283 M306 Y308 E343	R283-P681 VanDerWaalsContact CZ-O 3.31Å; R283-P681 PolarHBondContact NH1-O 2.76Å; R283-P681 PolarHBondContact NH2-O 3.22Å; M306-P681 HydrophobicContact CE-CB 4.19Å; M306-P681 HydrophobicContact CG-CB 4.11Å; M306-P681 HydrophobicContact SD-CB 4.02Å; Y308-P681 HydrophobicContact CD1-CB 3.74Å; Y308-P681 HydrophobicContact CD1-CG 4.27Å; Y308-P681 HydrophobicContact CD2-CB 4.12Å; Y308-P681 HydrophobicContact CE1-CB 4.05Å; Y308-P681 HydrophobicContact CE1-CG 4.05Å; Y308-P681 HydrophobicContact CE2-CB 4.43Å; Y308-P681 HydrophobicContact CE2-CG 4.48Å; Y308-P681 HydrophobicContact CG-CB 3.76Å; E343-P681 HydrophobicContact CG-CG 4.23Å
682	L	98.9	Very high	87.9	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.005	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	138.1	163.5	-80	66	0	0	0	107.8	M306 S307 Y606 T619 D630 I632 L658 L680	M306-L682 CarbonylContact C-O 3.51Å; M306-L682 WeakPolarHBondContact CA-O 3.23Å; M306-L682 WeakPolarHBondContact CG-O 3.25Å; S307-L682 PolarHBondContact N-O 2.8Å; S307-L682 PolarHBondContact O-N 3.49Å; Y606-L682 HydrophobicContact CD2-CD2 3.75Å; Y606-L682 HydrophobicContact CD2-CG 4.05Å; Y606-L682 HydrophobicContact CE2-CB 3.76Å; Y606-L682 HydrophobicContact CE2-CD2 3.78Å; Y606-L682 HydrophobicContact CE2-CG 3.62Å; T619-L682 HydrophobicContact CG2-CD1 3.74Å; D630-L682 HydrophobicContact CB-CD1 3.79Å; D630-L682 HydrophobicContact CB-CD2 4.22Å; D630-L682 WeakPolarHBondContact O-CD2 3.28Å; I632-L682 HydrophobicContact CD1-CB 3.81Å; I632-L682 HydrophobicContact CG1-CB 4.03Å; I632-L682 HydrophobicContact CG1-CD2 4.2Å; L658-L682 HydrophobicContact CD2-CD1 4.4Å; L680-L682 PolarHBondContact O-N 2.92Å
683	L	98.8	Very high	85.2	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	126.3	-174.9	176.8	65.7	0	0	0	110.8	W285 V305 M306 H347 A349 Y606 R655 L656	W285-L683 HydrophobicContact CH2-CD1 4.44Å; W285-L683 HydrophobicContact CH2-CD2 3.91Å; W285-L683 HydrophobicContact CH2-CG 3.67Å; W285-L683 HydrophobicContact CZ2-CD2 3.52Å; W285-L683 HydrophobicContact CZ2-CG 3.85Å; V305-L683 WeakPolarHBondContact O-CA 3.08Å; M306-L683 HydrophobicContact CB-CD1 4.14Å; H347-L683 HydrophobicContact CB-CD2 3.69Å; H347-L683 WeakPolarHBondContact ND1-CD2 3.37Å; A349-L683 HydrophobicContact CB-CD1 3.58Å; Y606-L683 PolarHBondContact OH-N 3.42Å; Y606-L683 VanDerWaalsContact OH-N 3.09Å; Y606-L683 PolarHBondContact OH-O 3.11Å; R655-L683 CarbonylContact C-O 3.55Å; R655-L683 VanDerWaalsContact CA-O 3.3Å; R655-L683 WeakPolarHBondContact CA-O 3.38Å; L656-L683 HydrophobicContact CB-CB 3.88Å; L656-L683 HydrophobicContact CB-CD2 4.26Å; L656-L683 HydrophobicContact CB-CG 4.39Å; L656-L683 HydrophobicContact CD2-CB 4.25Å; L656-L683 HydrophobicContact CD2-CD2 4.08Å; L656-L683 PolarHBondContact N-O 3.33Å
684	V	98.6	Very high	82.4	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	163.3	-171.2	-61.5	0	0	0	0	112.5	S304 V305 Y606 I632 L652 G654 R655 F686	S304-V684 CarbonylContact C-O 3.44Å; S304-V684 VanDerWaalsContact CA-O 3.24Å; S304-V684 WeakPolarHBondContact CA-O 3.22Å; V305-V684 HydrophobicContact CB-CG2 3.93Å; V305-V684 PolarHBondContact N-O 3.35Å; V305-V684 PolarHBondContact O-N 2.91Å; Y606-V684 HydrophobicContact CE2-CG1 3.95Å; I632-V684 HydrophobicContact CD1-CG1 4.21Å; I632-V684 HydrophobicContact CD1-CG2 3.87Å; I632-V684 HydrophobicContact CG2-CG2 4.02Å; L652-V684 HydrophobicContact CD1-CB 3.9Å; L652-V684 HydrophobicContact CD1-CG1 4.25Å; G654-V684 CarbonylContact O-C 3.39Å; G654-V684 WeakPolarHBondContact O-CA 3.49Å; R655-V684 HydrophobicContact CB-CG1 3.93Å; V684-F686 HydrophobicContact CB-CZ 4.36Å; V684-F686 HydrophobicContact CG2-CD2 4.2Å; V684-F686 HydrophobicContact CG2-CE1 4.33Å; V684-F686 HydrophobicContact CG2-CE2 3.47Å; V684-F686 VanDerWaalsContact CG2-CE2 3.47Å; V684-F686 HydrophobicContact CG2-CZ 3.55Å
685	R	97.8	Very high	81.9	Confident	121 Å²	121	23.4 Å²	23.4	46%	0.457	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	109.3	174.8	-64.8	-174.9	78.2	156.6	4.8	112.4	W285 F303 L653 G654	W285-R685 HydrophobicContact CH2-CG 3.67Å; W285-R685 HydrophobicContact CZ3-CG 3.67Å; F303-R685 CarbonylContact O-C 3.41Å; F303-R685 VanDerWaalsContact O-CA 3.32Å; F303-R685 WeakPolarHBondContact O-CA 3.47Å; L653-R685 HydrophobicContact CB-CB 4.18Å; L653-R685 PolarHBondContact N-O 3.42Å; G654-R685 PolarHBondContact O-N 3.43Å
686	F	94.6	Very high	81.1	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	142.3	163	40.8	-141.5	0	0	0	113.1	D302 F303 V305 I486 I632 Y634 L650 Q651 L652 V684	D302-F686 CarbonylContact C-O 3.57Å; D302-F686 VanDerWaalsContact CA-O 3.25Å; D302-F686 WeakPolarHBondContact CA-O 3.26Å; F303-F686 HydrophobicContact CE1-CB 4.44Å; F303-F686 HydrophobicContact CE2-CD2 4.11Å; F303-F686 HydrophobicContact CZ-CB 4.42Å; F303-F686 HydrophobicContact CZ-CD2 4.05Å; F303-F686 PolarHBondContact N-O 2.97Å; F303-F686 WeakPolarHBondContact O-CA 3.24Å; F303-F686 PolarHBondContact O-N 2.65Å; V305-F686 HydrophobicContact CB-CE2 4.42Å; V305-F686 HydrophobicContact CG2-CD2 4.2Å; V305-F686 HydrophobicContact CG2-CE2 3.98Å; I486-F686 HydrophobicContact CD1-CD2 4.2Å; I486-F686 HydrophobicContact CD1-CE2 3.97Å; I486-F686 HydrophobicContact CG1-CE2 4.39Å; I632-F686 HydrophobicContact CG2-CE2 4.39Å; I632-F686 HydrophobicContact CG2-CZ 3.97Å; Y634-F686 HydrophobicContact CD1-CD1 4.43Å; Y634-F686 AromaticContact CD1-CE1 3.41Å; Y634-F686 HydrophobicContact CD1-CE1 3.41Å; Y634-F686 VanDerWaalsContact CD1-CE1 3.41Å; Y634-F686 AromaticContact CD1-CZ 3.92Å; Y634-F686 HydrophobicContact CD1-CZ 3.92Å; Y634-F686 HydrophobicContact CD2-CD1 4.13Å; Y634-F686 AromaticContact CD2-CE1 3.83Å; Y634-F686 HydrophobicContact CD2-CE1 3.83Å; Y634-F686 AromaticContact CE1-CE1 3.74Å; Y634-F686 HydrophobicContact CE1-CE1 3.74Å; Y634-F686 HydrophobicContact CE2-CD1 4.26Å; Y634-F686 HydrophobicContact CE2-CE1 4.1Å; Y634-F686 HydrophobicContact CG-CD1 4.19Å; Y634-F686 AromaticContact CG-CE1 3.44Å; Y634-F686 HydrophobicContact CG-CE1 3.44Å; Y634-F686 VanDerWaalsContact CG-CE1 3.44Å; Y634-F686 AromaticContact CG-CZ 3.95Å; Y634-F686 HydrophobicContact CG-CZ 3.95Å; L650-F686 HydrophobicContact CB-CB 4.14Å; L650-F686 HydrophobicContact CB-CD1 4.23Å; L650-F686 HydrophobicContact CB-CG 4.22Å; L650-F686 HydrophobicContact CD1-CD2 4.24Å; L650-F686 HydrophobicContact CD1-CG 4.32Å; Q651-F686 WeakPolarHBondContact O-CB 3.49Å; L652-F686 HydrophobicContact CB-CD1 3.93Å; L652-F686 HydrophobicContact CB-CE1 4.27Å; L652-F686 HydrophobicContact CD1-CD1 3.79Å; L652-F686 HydrophobicContact CD1-CE1 3.76Å; L652-F686 HydrophobicContact CG-CD1 4.48Å; V684-F686 HydrophobicContact CB-CZ 4.36Å; V684-F686 HydrophobicContact CG2-CD2 4.2Å; V684-F686 HydrophobicContact CG2-CE1 4.33Å; V684-F686 HydrophobicContact CG2-CE2 3.47Å; V684-F686 VanDerWaalsContact CG2-CE2 3.47Å; V684-F686 HydrophobicContact CG2-CZ 3.55Å
687	R	90.1	Very high	80.2	Confident	21 Å²	21	25.1 Å²	25.1	8%	0.079	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.9	142.2	170.8	171.6	-64.5	143.8	7	109.1	V300 D302 Q651 L653	V300-R687 HydrophobicContact CB-CG 4.2Å; V300-R687 HydrophobicContact CG1-CG 4.41Å; D302-R687 WeakPolarHBondContact OD1-CB 3.15Å; D302-R687 VanDerWaalsContact OD1-CG 3.3Å; D302-R687 WeakPolarHBondContact OD1-CG 3.28Å; D302-R687 IonicContact OD1-CZ 3.73Å; D302-R687 IonicContact OD1-NE 3.47Å; D302-R687 PolarHBondContact OD1-NE 3.11Å; D302-R687 IonicContact OD1-NH2 2.75Å; D302-R687 PolarHBondContact OD1-NH2 3.36Å; D302-R687 IonicContact OD2-CZ 3.71Å; D302-R687 IonicContact OD2-NE 2.88Å; D302-R687 IonicContact OD2-NH2 2.72Å; D302-R687 PolarHBondContact OD2-NH2 2.97Å; Q651-R687 HydrophobicContact CB-CB 4.29Å; Q651-R687 PolarHBondContact N-O 2.87Å; Q651-R687 PolarHBondContact O-N 2.79Å; L653-R687 HydrophobicContact CD1-CB 4.04Å; L653-R687 HydrophobicContact CD2-CB 3.85Å; L653-R687 HydrophobicContact CG-CB 3.97Å
688	L	85.6	Confident	79.1	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	131.5	163.1	-176.7	62.9	0	0	0	108.7	F301 P430 I443 P484 L650 F693	F301-L688 HydrophobicContact CB-CB 4.31Å; F301-L688 PolarHBondContact N-O 2.69Å; F301-L688 VanDerWaalsContact N-O 3.17Å; F301-L688 PolarHBondContact O-N 3.38Å; P430-L688 HydrophobicContact CG-CD2 4.21Å; I443-L688 HydrophobicContact CD1-CD2 4.45Å; P484-L688 HydrophobicContact CG-CD1 3.89Å; L650-L688 HydrophobicContact CD2-CB 4.15Å; L650-L688 HydrophobicContact CD2-CD1 3.96Å; L688-F693 HydrophobicContact CD2-CE2 4.16Å; L688-F693 HydrophobicContact CD2-CZ 3.88Å; L688-F693 HydrophobicContact CG-CE2 4.21Å; L688-F693 HydrophobicContact CG-CZ 4.43Å
689	G	67.4	Low	77.9	Confident	19 Å²	19	27.8 Å²	27.8	20%	0.196	15%	0.147	C	C	.	.			trans	-77.1	167.4	-168.6	0	0	0	0	0	115.4	S692 F693	G689-S692 VanDerWaalsContact O-CB 3.27Å; G689-S692 WeakPolarHBondContact O-CB 3.5Å; G689-S692 PolarHBondContact O-N 2.93Å; G689-S692 VanDerWaalsContact O-N 3.17Å; G689-F693 WeakPolarHBondContact O-CD2 3.35Å
690	P	50.9	Low	76.5	Confident	29 Å²	29	29 Å²	29	19%	0.188	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-69.1	-36.7	-175.4	26.9	-34.4	0	0	0	114.5	P294 S298 S692 F693	P294-P690 HydrophobicContact CG-CG 4.22Å; S298-P690 WeakPolarHBondContact OG-CB 3.29Å; P690-S692 PolarHBondContact O-N 2.79Å; P690-S692 VanDerWaalsContact O-N 3.09Å; P690-F693 PolarHBondContact O-N 2.77Å
691	D	50.4	Low	75	Confident	52 Å²	52	31.1 Å²	31.1	28%	0.278	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-67.1	-7.5	174.4	-57.1	-2.8	0	0	0	112.3	Y441 P645 G646 F693	Y441-D691 PolarHBondContact OH-O 3.43Å; P645-D691 WeakPolarHBondContact CA-OD2 3.21Å; P645-D691 WeakPolarHBondContact CB-OD2 3.31Å; G646-D691 PolarHBondContact N-OD2 2.99Å; D691-F693 PolarHBondContact O-N 3.05Å
692	S	45.3	Very low	73.1	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-85.6	23.4	165	-58.4	0	0	0	0	113.2	Y441 G647 G689 P690	Y441-S692 WeakPolarHBondContact CD1-O 3.38Å; Y441-S692 WeakPolarHBondContact CD2-O 3.32Å; Y441-S692 VanDerWaalsContact CE2-O 3.26Å; Y441-S692 WeakPolarHBondContact CE2-O 3.16Å; G647-S692 PolarHBondContact O-OG 3.46Å; G689-S692 VanDerWaalsContact O-CB 3.27Å; G689-S692 WeakPolarHBondContact O-CB 3.5Å; G689-S692 PolarHBondContact O-N 2.93Å; G689-S692 VanDerWaalsContact O-N 3.17Å; P690-S692 PolarHBondContact O-N 2.79Å; P690-S692 VanDerWaalsContact O-N 3.09Å
693	F	38.8	Very low	71	Confident	47 Å²	47	36.2 Å²	36.2	21%	0.206	19%	0.191	C	C	.	.			trans	-150.1	14.8	176.5	-64.8	-74.7	0	0	0	115.1	R299 F301 T432 L688 G689 P690 D691	R299-F693 WeakPolarHBondContact O-CD2 3.22Å; R299-F693 VanDerWaalsContact O-CE2 3.3Å; R299-F693 WeakPolarHBondContact O-CE2 3.43Å; F301-F693 HydrophobicContact CB-CE2 4.03Å; F301-F693 HydrophobicContact CB-CZ 3.78Å; T432-F693 HydrophobicContact CG2-CD1 4.39Å; T432-F693 HydrophobicContact CG2-CE1 3.59Å; T432-F693 HydrophobicContact CG2-CZ 3.89Å; L688-F693 HydrophobicContact CD2-CE2 4.16Å; L688-F693 HydrophobicContact CD2-CZ 3.88Å; L688-F693 HydrophobicContact CG-CE2 4.21Å; L688-F693 HydrophobicContact CG-CZ 4.43Å; G689-F693 WeakPolarHBondContact O-CD2 3.35Å; P690-F693 PolarHBondContact O-N 2.77Å; D691-F693 PolarHBondContact O-N 3.05Å
694	T	33.9	Very low	68.5	Low	144 Å²	144	39.5 Å²	39.5	88%	0.883	21%	0.208	S	C	*	.			trans	-115.1	0	-173	55.6	0	0	0	0	113.6	Y441	Y441-T694 PolarHBondContact OH-O 2.88Å

Retrieved 694 of 694 residues in 815.3 ms (Link to these results)

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