A0A087WT20_HUMAN Loading...

DDB1- and CUL4-associated factor 13

Part of the small subunit (SSU) processome, first precursor of the small eukaryotic ribosomal subunit. During the assembly of the SSU processome in the nucleolus, many ribosome biogenesis factors, an RNA chaperone and ribosomal proteins associate with the nascent pre-rRNA and work in concert to generate RNA folding, modifications, rearrangements and cleavage as well as targeted degradation of pre-ribosomal RNA by the RNA exosome. Participates in the 18S rRNA processing in growing oocytes, being essential for oocyte nonsurrounded nucleolus (NSN) to surrounded nucleolus (SN) transition.

AlphaFold DB , UniProt , Accession A0A087WT20, Species HUMAN (Homo sapiens, Human), Gene DCAF13, Length 597 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.8	Very low	35.9	Very low	228 Å²	228	179.9 Å²	179.9	100%	1.123	87%	0.866	S	S	*	*				0	107.3	0	-73	170.3	172.3	0	0	108.4
2	Q	31.9	Very low	35.7	Very low	200 Å²	200	179.8 Å²	179.8	94%	0.935	87%	0.872	S	S	*	*			trans	-80	138.6	177.8	-68.3	166.9	-10.2	0	0	109.3
3	W	32.9	Very low	35.5	Very low	234 Å²	234	176 Å²	176	89%	0.886	87%	0.865	S	S	*	*			trans	-109.5	141.4	171.7	-75	78.6	0	0	0	109.2
4	P	36.6	Very low	35.3	Very low	111 Å²	111	171.1 Å²	171.1	72%	0.721	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-77.1	159.4	-170	31.1	-36.1	0	0	0	113.6
5	P	39.4	Very low	35.1	Very low	109 Å²	109	166.5 Å²	166.5	71%	0.708	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-76	161.7	-177.1	32	-36.2	0	0	0	113.6
6	P	47.2	Very low	35.2	Very low	125 Å²	125	164.1 Å²	164.1	81%	0.812	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-75.1	145	-175.5	30.4	-35.6	0	0	0	113.4
7	W	34.7	Very low	35.8	Very low	253 Å²	253	161.5 Å²	161.5	96%	0.958	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-67.3	129.4	179.9	-73.2	59.6	0	0	0	112.1
8	R	30.3	Very low	36.5	Very low	242 Å²	242	159.2 Å²	159.2	91%	0.913	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-68	133.7	169.7	-70.8	-177.5	175.2	-138.7	0.8	110
9	R	32.9	Very low	37	Very low	251 Å²	251	157.8 Å²	157.8	95%	0.947	85%	0.845	S	S	*	*			trans	-92.9	115.3	163.8	-74	-173.6	174.7	-160.7	-3	109.6
10	S	30.2	Very low	37.1	Very low	105 Å²	105	153.5 Å²	153.5	73%	0.734	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-78.1	149.8	163.7	-54	0	0	0	0	109.9
11	P	38.5	Very low	37.6	Very low	121 Å²	121	152.7 Å²	152.7	79%	0.786	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-75.4	134.8	179.3	30.6	-33.6	0	0	0	111.2
12	L	32.6	Very low	37.4	Very low	179 Å²	179	148.4 Å²	148.4	94%	0.937	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-76.4	124.8	168.9	-89.1	161.6	0	0	0	109.7
13	V	33.7	Very low	37.5	Very low	130 Å²	130	150.9 Å²	150.9	79%	0.788	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-72.4	138.8	175.7	174.1	0	0	0	0	109.9	A15	V13-A15 PolarHBondContact O-N 3.41Å
14	S	32.2	Very low	37.4	Very low	108 Å²	108	142.9 Å²	142.9	76%	0.755	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-72.7	117.3	174.5	51	0	0	0	0	111.5
15	A	32.9	Very low	37.2	Very low	102 Å²	102	145.5 Å²	145.5	84%	0.843	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-93.4	116.2	170	0	0	0	0	0	110.7	V13	V13-A15 PolarHBondContact O-N 3.41Å
16	T	36.5	Very low	36.7	Very low	128 Å²	128	148 Å²	148	79%	0.785	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-83.2	136.6	167.9	44.9	0	0	0	0	110.6
17	P	45.3	Very low	35.8	Very low	119 Å²	119	147.3 Å²	147.3	77%	0.773	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-75.7	147	170.3	31.5	-33.4	0	0	0	111.6
18	P	48.2	Very low	36.6	Very low	120 Å²	120	140.3 Å²	140.3	78%	0.779	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-82.7	162.1	179.3	34.2	-35.9	0	0	0	113.2
19	P	46.8	Very low	36.6	Very low	134 Å²	134	139.9 Å²	139.9	87%	0.87	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-82.1	145.8	179.4	33.2	-34.7	0	0	0	113.4
20	G	37.6	Very low	36.3	Very low	71 Å²	71	138.8 Å²	138.8	73%	0.732	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-98.4	159.7	170.5	0	0	0	0	0	113.1
21	P	49.4	Very low	36.4	Very low	137 Å²	137	139.9 Å²	139.9	89%	0.89	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-96.8	160	-155.1	36.8	-37.3	0	0	0	116.7
22	T	36.6	Very low	36	Very low	137 Å²	137	138.2 Å²	138.2	84%	0.84	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-98.5	127.5	175.7	49.6	0	0	0	0	113.9
23	R	32.6	Very low	35.9	Very low	253 Å²	253	138.6 Å²	138.6	96%	0.955	80%	0.801	S	S	*	*			trans	-153.8	141.1	147.1	-71.1	-170.2	174.5	-178.1	-3.2	106
24	G	31.4	Very low	35.8	Very low	65 Å²	65	137 Å²	137	67%	0.67	80%	0.801	S	S	*	*			cis	126.2	134	6.6	0	0	0	0	0	110
25	L	32.7	Very low	35.7	Very low	167 Å²	167	135.1 Å²	135.1	87%	0.874	80%	0.799	S	S	*	*			trans	81	140.7	-177.8	-52.6	168.9	0	0	0	114.2
26	L	29.4	Very low	35.5	Very low	161 Å²	161	138.2 Å²	138.2	84%	0.843	80%	0.801	S	S	*	*			cis	-152.3	169.4	6.6	-113.7	154.3	0	0	0	112.3
27	C	27.5	Very low	35.2	Very low	111 Å²	111	136.7 Å²	136.7	75%	0.75	80%	0.796	S	S	*	*			trans	-88.1	-166.4	179.9	-133.1	0	0	0	0	111.2
28	P	50.9	Low	34.4	Very low	105 Å²	105	135.6 Å²	135.6	68%	0.682	79%	0.791	S	S	*	*			cis	-146.2	173.8	5	37.9	-14.6	0	0	0	120.4
29	R	30.9	Very low	33.6	Very low	234 Å²	234	135.7 Å²	135.7	88%	0.883	79%	0.79	S	S	*	*			trans	49.9	128	141.5	-73.1	173.5	173.9	-174.5	-2.9	123.4
30	R	27.4	Very low	32.8	Very low	228 Å²	228	138.2 Å²	138.2	86%	0.86	79%	0.79	S	S	*	*				-176.8	130	98.9	-98.6	-166.1	174.8	-178.4	-0.9	111
31	V	31.2	Very low	32.4	Very low	128 Å²	128	138 Å²	138	78%	0.776	79%	0.787	S	S	*	*				74.4	132.4	102.4	176.2	0	0	0	0	112.3
32	S	30	Very low	31.5	Very low	85 Å²	85	136.2 Å²	136.2	59%	0.594	79%	0.785	S	S	*	*			cis	-159.8	155.2	20.2	36.9	0	0	0	0	113.6
33	E	31.1	Very low	31.2	Very low	187 Å²	187	140.4 Å²	140.4	87%	0.874	79%	0.785	S	S	*	*			trans	51.9	150.1	133.3	-66.7	162.6	-170.1	0	0	122.1
34	A	31.3	Very low	31.1	Very low	96 Å²	96	135.4 Å²	135.4	79%	0.793	78%	0.783	S	S	*	*			cis	-165	169	-3.9	0	0	0	0	0	111.7
35	G	29.3	Very low	31	Very low	69 Å²	69	135.6 Å²	135.6	71%	0.711	79%	0.785	S	S	*	*			trans	81.1	122	163.3	0	0	0	0	0	115.5
36	D	29	Very low	30.9	Very low	167 Å²	167	136.3 Å²	136.3	89%	0.893	78%	0.784	S	S	*	*			cis	53.3	129.6	34.6	-68.9	-24.8	0	0	0	113.3
37	S	30.7	Very low	30.8	Very low	97 Å²	97	139.7 Å²	139.7	68%	0.678	79%	0.785	S	S	*	*			cis	-162.6	176.4	11.3	53.4	0	0	0	0	112.1
38	S	28.8	Very low	31	Very low	96 Å²	96	141.8 Å²	141.8	67%	0.671	78%	0.783	S	S	*	*			trans	40	141	141.5	60.9	0	0	0	0	121.2
39	T	32	Very low	29.9	Very low	121 Å²	121	147.5 Å²	147.5	74%	0.742	79%	0.793	S	S	*	*			cis	-170.1	176.7	23.8	-3.6	0	0	0	0	111.1
40	E	30.1	Very low	29.8	Very low	187 Å²	187	141.6 Å²	141.6	87%	0.874	78%	0.783	S	S	*	*			trans	-19.6	155.7	153.3	-56.2	167	148.1	0	0	117.4
41	G	28.7	Very low	30.1	Very low	66 Å²	66	136.8 Å²	136.8	68%	0.68	78%	0.779	S	S	*	*			cis	153.1	163.9	4.9	0	0	0	0	0	110.9
42	A	30.6	Very low	31	Very low	101 Å²	101	136.6 Å²	136.6	84%	0.835	78%	0.78	S	S	*	*			trans	62.5	158.4	173.8	0	0	0	0	0	116.1
43	R	30.3	Very low	31	Very low	224 Å²	224	137.2 Å²	137.2	85%	0.845	79%	0.791	S	S	*	*			cis	180	159.7	-15.4	-109.7	-176.6	173.1	-176.1	-0.1	105
44	T	30.8	Very low	30.9	Very low	149 Å²	149	137.4 Å²	137.4	91%	0.914	79%	0.791	S	S	*	*			trans	64.7	152.7	170.8	70.2	0	0	0	0	116.2
45	G	28.8	Very low	30.9	Very low	69 Å²	69	138.4 Å²	138.4	71%	0.711	79%	0.792	S	S	*	*			cis	-172.6	175	-2	0	0	0	0	0	112.3
46	H	29.4	Very low	31.1	Very low	182 Å²	182	139.6 Å²	139.6	84%	0.843	80%	0.796	S	S	*	*			trans	-34.7	146.8	179.4	-59.2	-88	0	0	0	117.9
47	R	28.9	Very low	31.1	Very low	231 Å²	231	140.2 Å²	140.2	87%	0.872	80%	0.795	S	S	*	*				-173	153.1	94.5	-100.3	178.7	179.9	178.1	0.5	114.7
48	H	30.4	Very low	31.2	Very low	155 Å²	155	144.7 Å²	144.7	72%	0.718	81%	0.805	S	S	*	*			trans	-68.4	153	166.9	-63.8	-98.2	0	0	0	111.4
49	Y	28.2	Very low	31.2	Very low	226 Å²	226	144 Å²	144	89%	0.886	81%	0.813	S	S	*	*			trans	-133.3	143.8	139.2	-92.8	-83	0	0	0	109.9
50	V	29.9	Very low	31.3	Very low	109 Å²	109	150.4 Å²	150.4	66%	0.661	82%	0.824	S	S	*	*			trans	-132.9	169.9	179.9	-175.3	0	0	0	0	106.3
51	T	31.9	Very low	31.3	Very low	128 Å²	128	147.3 Å²	147.3	79%	0.785	82%	0.823	S	S	*	*			trans	88.9	161.2	165.7	84.5	0	0	0	0	114.8
52	P	50.3	Low	31.6	Very low	124 Å²	124	153.4 Å²	153.4	81%	0.805	83%	0.834	S	S	*	*				-139.8	-170.1	-101.3	32.6	-7.4	0	0	0	113.2
53	A	29.7	Very low	32.7	Very low	98 Å²	98	153.5 Å²	153.5	81%	0.81	83%	0.826	S	S	*	*			trans	-156.7	123.1	155.6	0	0	0	0	0	112.3
54	E	30.5	Very low	32.8	Very low	190 Å²	190	150.5 Å²	150.5	89%	0.888	83%	0.826	S	S	*	*			trans	-72.6	174.2	150.7	-57.3	166.1	123.8	0	0	107.6
55	S	30.5	Very low	33.5	Very low	117 Å²	117	148.1 Å²	148.1	82%	0.818	81%	0.813	S	S	*	*			cis	-162.6	176.7	28.2	55.9	0	0	0	0	111.5
56	A	33.2	Very low	33.5	Very low	94 Å²	94	149.7 Å²	149.7	78%	0.777	81%	0.813	S	S	*	*			trans	-76.2	162.2	-174.1	0	0	0	0	0	115.5
57	M	30.4	Very low	33.6	Very low	181 Å²	181	149.2 Å²	149.2	89%	0.892	82%	0.816	S	S	*	*			trans	-160.2	158.1	140	-107.3	-63.6	175.4	0	0	111.5
58	E	31.3	Very low	33.9	Very low	190 Å²	190	149.2 Å²	149.2	89%	0.888	82%	0.816	S	S	*	*			trans	-87	163.2	-166.6	-57.7	171.7	113.3	0	0	114.5
59	G	30.2	Very low	34.4	Very low	81 Å²	81	147.9 Å²	147.9	84%	0.835	82%	0.821	S	S	*	*			trans	-172.5	98.5	170	0	0	0	0	0	114.2
60	R	33	Very low	34.5	Very low	257 Å²	257	141.5 Å²	141.5	97%	0.97	82%	0.815	S	S	*	*			trans	-84.3	134.2	170.7	-73.7	178.6	172.5	-176.5	-1.6	111.5
61	S	31.3	Very low	34.8	Very low	122 Å²	122	141.4 Å²	141.4	85%	0.853	82%	0.819	S	S	*	*			trans	-157.1	154.8	144.5	56.5	0	0	0	0	110.8
62	Q	34.5	Very low	35.5	Very low	193 Å²	193	141.4 Å²	141.4	90%	0.902	82%	0.821	S	S	*	*			trans	-114.9	179	-168.9	-112.9	-153.4	6.8	0	0	111.8
63	P	54.3	Low	34.8	Very low	103 Å²	103	141 Å²	141	67%	0.669	82%	0.816	S	S	*	*			trans	-107.5	-170.2	-137.8	44.2	-38.5	0	0	0	114.1
64	L	30.7	Very low	34.8	Very low	161 Å²	161	143.7 Å²	143.7	84%	0.843	82%	0.817	S	S	*	*			trans	173.8	171.5	147.6	-90.7	170.8	0	0	0	108
65	P	45.8	Very low	34.9	Very low	99 Å²	99	138.9 Å²	138.9	64%	0.643	81%	0.81	S	S	*	*				-138.1	173	-71.1	39	-20.1	0	0	0	116.6
66	S	29.7	Very low	35.9	Very low	102 Å²	102	139 Å²	139	71%	0.713	81%	0.808	S	S	*	*			trans	58.4	134	143.2	66.2	0	0	0	0	123
67	L	31.6	Very low	35.8	Very low	173 Å²	173	138 Å²	138	91%	0.906	80%	0.8	S	S	*	*				-161.9	141.6	120.3	-103.7	167.1	0	0	0	111.1
68	R	34	Very low	35.9	Very low	230 Å²	230	138.8 Å²	138.8	87%	0.868	80%	0.801	S	S	*	*			trans	-103.4	163.4	172	-76.2	-177.8	173.3	-177.7	-1.6	110
69	P	42.2	Very low	35.8	Very low	128 Å²	128	132.8 Å²	132.8	83%	0.831	79%	0.79	S	S	*	*				-130	138.6	106.1	7.1	14.6	0	0	0	111.4
70	A	30.5	Very low	35.8	Very low	91 Å²	91	141.6 Å²	141.6	75%	0.752	80%	0.798	S	S	*	*				94.2	113	61.4	0	0	0	0	0	112.4
71	S	35.7	Very low	35.5	Very low	108 Å²	108	132.9 Å²	132.9	76%	0.755	79%	0.788	S	S	*	*			trans	-92.9	168.5	171.7	50.6	0	0	0	0	111.3
72	P	46.8	Very low	35.5	Very low	128 Å²	128	132 Å²	132	83%	0.831	78%	0.783	S	S	*	*			trans	-126.1	145	148.3	35.3	-24.7	0	0	0	113
73	T	35.5	Very low	35.2	Very low	114 Å²	114	130.2 Å²	130.2	70%	0.699	78%	0.779	S	S	*	*			trans	-108.4	158.7	170.6	52.9	0	0	0	0	110.7
74	N	30	Very low	33.9	Very low	156 Å²	156	130.1 Å²	130.1	83%	0.834	78%	0.78	S	S	*	*			trans	128.8	131.5	145.3	-63.9	-10.5	0	0	0	116.3
75	A	32.5	Very low	33.9	Very low	89 Å²	89	128.9 Å²	128.9	74%	0.736	78%	0.779	S	S	*	*			trans	-90	-170.8	154.1	0	0	0	0	0	108.3
76	P	49.8	Very low	33.1	Very low	119 Å²	119	128.4 Å²	128.4	77%	0.773	78%	0.784	S	S	*	*			cis	-148.4	-178.2	11.1	44.7	-23.9	0	0	0	118.8
77	A	32.6	Very low	33	Very low	74 Å²	74	133 Å²	133	61%	0.612	79%	0.791	S	S	*	*			trans	74.4	139.4	140.6	0	0	0	0	0	125.3
78	H	32.1	Very low	33	Very low	196 Å²	196	133.7 Å²	133.7	91%	0.907	79%	0.789	S	S	*	*			trans	64.6	143.2	161.9	-56.3	-60.2	0	0	0	119.9
79	G	28.1	Very low	33.4	Very low	64 Å²	64	127.8 Å²	127.8	66%	0.66	78%	0.781	S	S	*	*			cis	163.9	147.4	-12.6	0	0	0	0	0	114.5
80	R	30.5	Very low	33.1	Very low	266 Å²	266	127.8 Å²	127.8	100%	1.004	78%	0.781	S	S	*	*			trans	65.3	140.4	175	-45.9	-178.5	-167.5	-146.3	2.8	115.4
81	G	27.7	Very low	33.1	Very low	74 Å²	74	132.2 Å²	132.2	76%	0.763	79%	0.791	S	S	*	*			cis	-150.6	-147.3	-5.4	0	0	0	0	0	108.6
82	S	30.3	Very low	33	Very low	105 Å²	105	130.9 Å²	130.9	73%	0.734	79%	0.786	S	S	*	*			cis	-174.8	138.1	-14.9	42.5	0	0	0	0	109.8
83	D	28.8	Very low	32.2	Very low	155 Å²	155	132.1 Å²	132.1	83%	0.829	79%	0.786	S	S	*	*			trans	62.3	145.1	161.1	-57.2	-17.1	0	0	0	119.7
84	C	28.1	Very low	31.9	Very low	101 Å²	101	132.9 Å²	132.9	68%	0.682	79%	0.79	S	S	*	*			cis	-158.9	150.5	13.2	-132.5	0	0	0	0	113.8
85	T	29.1	Very low	31.7	Very low	134 Å²	134	130.6 Å²	130.6	82%	0.822	79%	0.785	S	S	*	*			trans	52.3	130.3	153.5	61.2	0	0	0	0	120.8
86	A	30	Very low	31.7	Very low	90 Å²	90	137.5 Å²	137.5	74%	0.744	79%	0.792	S	S	*	*				-172.8	148.2	51.1	0	0	0	0	0	115.5
87	K	28.1	Very low	30.7	Very low	199 Å²	199	140.2 Å²	140.2	87%	0.865	79%	0.794	S	S	*	*			trans	68.2	89.2	151.8	-67.2	179.8	178.6	-178.4	0	121.6
88	E	30.4	Very low	30.7	Very low	187 Å²	187	143.5 Å²	143.5	87%	0.874	80%	0.802	S	S	*	*				19.4	158.5	119.4	-70.2	-175.4	174.2	0	0	122.8
89	P	42.1	Very low	30.8	Very low	106 Å²	106	145.8 Å²	145.8	69%	0.688	80%	0.804	S	S	*	*			cis	-140	166.8	-26.7	38	-21.6	0	0	0	115
90	P	36	Very low	30.8	Very low	128 Å²	128	146.4 Å²	146.4	83%	0.831	81%	0.81	S	S	*	*			trans	-101.1	143.3	158.3	35.8	-27.9	0	0	0	112.2
91	L	31.3	Very low	30.9	Very low	184 Å²	184	138.6 Å²	138.6	96%	0.963	80%	0.802	S	S	*	*			trans	-94.2	137.3	171.2	-82.9	166	0	0	0	111.2
92	A	32.9	Very low	31.1	Very low	79 Å²	79	139.4 Å²	139.4	65%	0.653	80%	0.802	S	S	*	*			trans	-142.9	135.1	171.3	0	0	0	0	0	112.1
93	N	31.1	Very low	31	Very low	154 Å²	154	143.4 Å²	143.4	82%	0.824	81%	0.809	S	S	*	*			trans	64.9	143.2	161.3	-50.1	-29.4	0	0	0	116.1
94	V	29.4	Very low	31.1	Very low	130 Å²	130	143.5 Å²	143.5	79%	0.788	81%	0.81	S	S	*	*				-167.7	153.3	58.6	160.8	0	0	0	0	111
95	C	25.7	Very low	31.6	Very low	108 Å²	108	144.7 Å²	144.7	73%	0.73	82%	0.816	S	S	*	*			trans	59	110	160.8	-75.8	0	0	0	0	123.6
96	R	31.5	Very low	31.9	Very low	234 Å²	234	144.9 Å²	144.9	88%	0.883	82%	0.817	S	S	*	*				26	128.8	109.8	-69.2	-179	171.8	-179.7	-2.5	118.7
97	Q	30.1	Very low	31.9	Very low	176 Å²	176	149.6 Å²	149.6	82%	0.822	82%	0.823	S	S	*	*				-158.5	134.7	113.3	-108.1	172.1	22.6	0	0	113.1
98	N	31.8	Very low	32.5	Very low	144 Å²	144	145.9 Å²	145.9	77%	0.77	82%	0.82	S	S	*	*			trans	32.1	121	150.4	-54.5	-10.2	0	0	0	121.6
99	Y	33	Very low	32.9	Very low	244 Å²	244	142.2 Å²	142.2	96%	0.957	82%	0.821	S	S	*	*			trans	-131.7	133.7	140.6	-89.7	-82.7	0	0	0	110.3
100	G	29.1	Very low	32.2	Very low	76 Å²	76	141 Å²	141	78%	0.784	83%	0.828	S	S	*	*			trans	-101.1	166.2	179.7	0	0	0	0	0	113.3
101	A	33.1	Very low	31.9	Very low	102 Å²	102	145.6 Å²	145.6	84%	0.843	83%	0.829	S	S	*	*			trans	-63.7	150.6	-168.8	0	0	0	0	0	118
102	A	30.7	Very low	31.8	Very low	91 Å²	91	147.4 Å²	147.4	75%	0.752	82%	0.823	S	S	*	*			trans	-158.3	105.7	141.3	0	0	0	0	0	106
103	Q	29.7	Very low	31.5	Very low	190 Å²	190	149 Å²	149	89%	0.888	83%	0.829	S	S	*	*				58.9	90.8	83	-74.3	-166.3	-10.1	0	0	114.5
104	D	29.3	Very low	31.4	Very low	157 Å²	157	146.3 Å²	146.3	84%	0.84	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-85	137.7	164	-63.5	-57	0	0	0	110.9
105	P	38.5	Very low	31.4	Very low	126 Å²	126	145.9 Å²	145.9	82%	0.818	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-87.5	138	167.4	33.1	-30.8	0	0	0	112.1
106	V	35.5	Very low	31.4	Very low	138 Å²	138	149.4 Å²	149.4	84%	0.836	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-87.8	134.7	172.2	173.7	0	0	0	0	109.7
107	E	30.8	Very low	31.2	Very low	189 Å²	189	144.9 Å²	144.9	88%	0.883	84%	0.835	S	S	*	*			trans	-107	140.6	162.9	-82.1	-161.9	153.1	0	0	112
108	P	41.6	Very low	31.1	Very low	121 Å²	121	143 Å²	143	79%	0.786	84%	0.835	S	S	*	*			trans	-97.7	160.3	-173	38.1	-36	0	0	0	114.4
109	A	37.7	Very low	30.9	Very low	110 Å²	110	140 Å²	140	91%	0.909	84%	0.839	S	S	*	*			trans	-82.6	136.6	174.9	0	0	0	0	0	113.4
110	G	28.5	Very low	30.8	Very low	81 Å²	81	133.9 Å²	133.9	84%	0.835	83%	0.832	S	S	*	*			trans	-129.6	113	-178.5	0	0	0	0	0	114.3
111	R	28.6	Very low	30.8	Very low	223 Å²	223	136 Å²	136	84%	0.842	84%	0.835	S	S	*	*			trans	-55.5	166.6	-177.7	-76	170.9	163.7	-175.5	-4.5	118.6
112	R	29	Very low	31	Very low	222 Å²	222	139.8 Å²	139.8	84%	0.838	84%	0.84	S	S	*	*			trans	78.1	152	155.7	-74	165.7	-174.9	-164.4	2.2	116.5
113	S	27	Very low	31	Very low	113 Å²	113	139 Å²	139	79%	0.79	84%	0.84	S	S	*	*			cis	-162.7	171.9	-13.8	42.3	0	0	0	0	110.4
114	A	29.9	Very low	31.1	Very low	98 Å²	98	140.1 Å²	140.1	81%	0.81	84%	0.842	S	S	*	*			trans	-74	156.6	-173	0	0	0	0	0	116.3
115	S	27.5	Very low	31	Very low	121 Å²	121	137.1 Å²	137.1	85%	0.846	84%	0.839	S	S	*	*			trans	-169.3	157.9	134.7	49.3	0	0	0	0	112.5
116	H	26.2	Very low	30.5	Very low	181 Å²	181	140.5 Å²	140.5	84%	0.838	84%	0.844	S	S	*	*			trans	-73.2	161.8	174.1	-68.6	-36.7	0	0	0	112.6
117	V	26.9	Very low	30.2	Very low	140 Å²	140	140.5 Å²	140.5	85%	0.848	84%	0.844	S	S	*	*				-177.9	155.5	110.8	149.3	0	0	0	0	111.2
118	T	28.6	Very low	30.1	Very low	135 Å²	135	136 Å²	136	83%	0.828	84%	0.84	S	S	*	*			trans	-62.7	154.9	-179.2	51.2	0	0	0	0	115.3
119	G	27.4	Very low	29.5	Very low	82 Å²	82	135.9 Å²	135.9	85%	0.845	84%	0.84	S	S	*	*			trans	177.2	107.6	162.8	0	0	0	0	0	115.3
120	S	31.7	Very low	29	Very low	116 Å²	116	134.3 Å²	134.3	81%	0.811	83%	0.834	S	S	*	*			trans	-79	146.2	167.3	54.2	0	0	0	0	112.4
121	S	29.1	Very low	29.3	Very low	121 Å²	121	141.7 Å²	141.7	85%	0.846	84%	0.837	S	S	*	*			trans	177.9	154.4	133	38.4	0	0	0	0	112.7
122	L	38.1	Very low	29.2	Very low	180 Å²	180	142.4 Å²	142.4	94%	0.942	84%	0.84	S	S	*	*			trans	-73.5	143.7	166.9	-66.4	105.3	0	0	0	110.4
123	G	28.7	Very low	29.2	Very low	74 Å²	74	143 Å²	143	76%	0.763	84%	0.842	S	S	*	*			trans	-149.3	119	171.1	0	0	0	0	0	111.5
124	K	32.1	Very low	29.4	Very low	215 Å²	215	148.8 Å²	148.8	94%	0.935	85%	0.847	S	S	*	*			trans	-68.6	146.7	169.5	-66.9	172.6	176.8	176.2	0	109.5
125	A	27.1	Very low	29.3	Very low	94 Å²	94	156.2 Å²	156.2	78%	0.777	85%	0.854	S	S	*	*			trans	-135.3	102	162.7	0	0	0	0	0	109.9
126	E	28.4	Very low	29.5	Very low	196 Å²	196	154.6 Å²	154.6	92%	0.916	85%	0.848	S	S	*	*			trans	-71.6	141.4	151.8	-70.4	176.3	111.8	0	0	108.3
127	V	30.1	Very low	29.9	Very low	139 Å²	139	154.4 Å²	154.4	84%	0.842	85%	0.847	S	S	*	*			trans	-132	124	158.5	178.6	0	0	0	0	108.3
128	A	28.6	Very low	30.1	Very low	95 Å²	95	156.1 Å²	156.1	79%	0.785	85%	0.851	S	S	*	*			trans	-69	146.4	-176.4	0	0	0	0	0	112.9	G130	A128-G130 PolarHBondContact O-N 3.02Å
129	C	27.6	Very low	30.7	Very low	118 Å²	118	157.5 Å²	157.5	80%	0.797	85%	0.852	S	S	*	*			trans	-88.8	103.2	168.1	-174.5	0	0	0	0	109.9	R131	C129-R131 PolarHBondContact O-N 3.26Å
130	G	29	Very low	31.2	Very low	76 Å²	76	157.7 Å²	157.7	78%	0.784	85%	0.846	S	S	*	*			trans	-75.3	117.2	172.4	0	0	0	0	0	111.8	A128	A128-G130 PolarHBondContact O-N 3.02Å
131	R	33	Very low	31	Very low	236 Å²	236	159.4 Å²	159.4	89%	0.891	85%	0.846	S	S	*	*			trans	-104.9	130.6	161.1	-71.8	-172.9	179.7	-156.5	-0.5	109.3	C129	C129-R131 PolarHBondContact O-N 3.26Å
132	R	26.8	Very low	31.9	Very low	238 Å²	238	160.3 Å²	160.3	90%	0.898	85%	0.847	S	S	*	*			trans	-131.5	109.1	171	-165.4	178.6	-168.2	-177.7	3.9	109
133	W	30.4	Very low	31.7	Very low	235 Å²	235	157 Å²	157	89%	0.89	84%	0.838	S	S	*	*			trans	-130.8	155	160.9	-81.5	98	0	0	0	108.9
134	R	30.2	Very low	32.3	Very low	235 Å²	235	165.5 Å²	165.5	89%	0.887	85%	0.848	S	S	*	*			trans	-74.1	151.6	-157.1	-68.1	173.3	172.7	161.7	-5	113.5
135	W	28	Very low	32.7	Very low	253 Å²	253	159.8 Å²	159.8	96%	0.958	84%	0.835	S	S	*	*			trans	-87.5	140.2	158.4	-76.3	78.2	0	0	0	110
136	A	31.6	Very low	33.9	Very low	87 Å²	87	161.6 Å²	161.6	72%	0.719	84%	0.839	S	S	*	*			trans	-155.9	120.5	148.5	0	0	0	0	0	107.9
137	E	35.2	Very low	34.5	Very low	178 Å²	178	156.4 Å²	156.4	83%	0.832	83%	0.829	S	S	*	*			trans	37.2	122	150.1	-57.9	173.8	151.9	0	0	118.8
138	L	31.5	Very low	35.2	Very low	175 Å²	175	153.2 Å²	153.2	92%	0.916	82%	0.824	S	S	*	*				-156.7	161.4	73.1	-100.7	149.5	0	0	0	113.5
139	L	39.5	Very low	36.2	Very low	164 Å²	164	160.6 Å²	160.6	86%	0.859	83%	0.832	S	S	*	*			trans	-86.4	164.3	-179	-79.4	155.8	0	0	0	113
140	A	37.7	Very low	37.4	Very low	87 Å²	87	159.1 Å²	159.1	72%	0.719	83%	0.828	S	S	*	*			trans	69.3	145.2	169.8	0	0	0	0	0	115.5
141	D	29.2	Very low	38.8	Very low	152 Å²	152	161.6 Å²	161.6	81%	0.813	83%	0.828	S	S	*	*			cis	-127.9	148.7	15.8	-91.2	-55.8	0	0	0	114.8
142	T	46.5	Very low	40.1	Very low	140 Å²	140	158.3 Å²	158.3	86%	0.859	82%	0.823	S	S	*	*			trans	-81.9	110.6	162.5	45.7	0	0	0	0	110.6
143	S	35.2	Very low	42.3	Very low	110 Å²	110	155.1 Å²	155.1	77%	0.769	82%	0.82	S	S	*	*			trans	-139.1	120.6	155.6	58.4	0	0	0	0	110.5
144	W	39.8	Very low	44.6	Very low	252 Å²	252	152.8 Å²	152.8	96%	0.955	82%	0.816	S	S	*	*			trans	-96.2	106.8	-179.8	-168.8	5.8	0	0	0	108.4
145	S	40.5	Very low	47	Very low	95 Å²	95	147.5 Å²	147.5	66%	0.664	81%	0.81	S	S	*	*			trans	-106.8	129.4	168.8	-79.8	0	0	0	0	109.9	A147	S145-A147 PolarHBondContact O-N 3.42Å
146	P	54.1	Low	49.8	Very low	133 Å²	133	145 Å²	145	86%	0.864	81%	0.806	S	S	*	*			trans	-83	65.9	177.8	35	-34.9	0	0	0	110.6
147	A	40.7	Very low	52.4	Low	86 Å²	86	148.1 Å²	148.1	71%	0.711	81%	0.808	S	S	*	*			trans	-100.7	138.3	166.9	0	0	0	0	0	109	S145	S145-A147 PolarHBondContact O-N 3.42Å
148	G	44.8	Very low	55	Low	72 Å²	72	146.4 Å²	146.4	74%	0.742	80%	0.803	S	S	*	*			trans	-57.5	154.9	-163.9	0	0	0	0	0	114.7	A150	G148-A150 PolarHBondContact O-N 2.99Å
149	R	49.3	Very low	57.7	Low	251 Å²	251	142.9 Å²	142.9	95%	0.947	79%	0.793	S	S	*	*			trans	-62.1	83.2	165.5	-76.8	-176.6	179.3	169.1	1.1	109.7	T151	R149-T151 PolarHBondContact O-N 2.66Å; R149-T151 VanDerWaalsContact O-N 3.12Å
150	A	51.8	Low	60	Low	87 Å²	87	144.1 Å²	144.1	72%	0.719	79%	0.787	S	S	*	*			trans	-58.7	113.8	156.1	0	0	0	0	0	106.5	G148 E152	G148-A150 PolarHBondContact O-N 2.99Å; A150-E152 VanDerWaalsContact C-N 3.35Å; A150-E152 PolarHBondContact O-N 3.46Å
151	T	58.6	Low	62.4	Low	128 Å²	128	143.4 Å²	143.4	79%	0.785	77%	0.77	S	S	*	*			trans	-65.8	97.8	171.8	48.6	0	0	0	0	107.7	R149 M153	R149-T151 PolarHBondContact O-N 2.66Å; R149-T151 VanDerWaalsContact O-N 3.12Å; T151-M153 PolarHBondContact O-N 2.8Å
152	E	61.5	Low	65	Low	166 Å²	166	139 Å²	139	78%	0.776	75%	0.75	S	S	*	*			trans	-53	110.5	175.8	-75.1	-169.9	142.4	0	0	109.6	A150 K154	A150-E152 VanDerWaalsContact C-N 3.35Å; A150-E152 PolarHBondContact O-N 3.46Å; E152-K154 PolarHBondContact O-N 3.46Å
153	M	73.4	Confident	66.8	Low	171 Å²	171	136.8 Å²	136.8	84%	0.842	73%	0.733	S	S	*	*			trans	-69.3	101.8	175.6	-90.1	-154.2	-79.2	0	0	109.2	T151 V155	T151-M153 PolarHBondContact O-N 2.8Å; M153-V155 HydrophobicContact CB-CG2 4.21Å; M153-V155 PolarHBondContact O-N 2.92Å
154	K	77.2	Confident	69	Low	186 Å²	186	136.8 Å²	136.8	81%	0.809	72%	0.724	S	S	*	*			trans	-72.9	74.9	172.8	-68.1	-178.5	-180	177.3	0	110.3	E152 K156	E152-K154 PolarHBondContact O-N 3.46Å; K154-K156 PolarHBondContact O-N 3.1Å
155	V	81.9	Confident	71	Confident	124 Å²	124	129.6 Å²	129.6	75%	0.752	70%	0.698	S	S	*	*			trans	-70.3	108.8	176.6	-176.8	0	0	0	0	109.4	M153	M153-V155 HydrophobicContact CB-CG2 4.21Å; M153-V155 PolarHBondContact O-N 2.92Å
156	K	85.5	Confident	73.1	Confident	201 Å²	201	128.7 Å²	128.7	87%	0.874	69%	0.688	S	S	*	*			trans	-112.1	101.5	174	-172.6	177.1	-179.9	-179.9	0	110.4	K154	K154-K156 PolarHBondContact O-N 3.1Å
157	M	87.5	Confident	74.5	Confident	153 Å²	153	129 Å²	129	75%	0.754	67%	0.672	S	S	*	*			trans	-81.6	155.1	174.2	58.2	-174.2	-83.5	0	0	112.4	S159	M157-S159 PolarHBondContact O-N 2.87Å; M157-S159 VanDerWaalsContact O-N 3.12Å
158	L	88.6	Confident	76.5	Confident	141 Å²	141	131.7 Å²	131.7	74%	0.738	67%	0.67	S	S	*	*			trans	-76.1	95.3	174.1	-179.6	68.7	0	0	0	110.4	R160	L158-R160 HydrophobicContact CG-CG 4.45Å
159	S	88.5	Confident	78.4	Confident	101 Å²	101	131.8 Å²	131.8	71%	0.706	66%	0.656	S	S	*	*			trans	-82	130.1	168.7	53.7	0	0	0	0	111	M157	M157-S159 PolarHBondContact O-N 2.87Å; M157-S159 VanDerWaalsContact O-N 3.12Å
160	R	88.1	Confident	80.1	Confident	191 Å²	191	128.3 Å²	128.3	72%	0.721	65%	0.648	S	S	*	*			trans	-113.6	107.4	173	-65.8	-177.2	-179.9	171.3	1.3	108.6	L158 Y165	L158-R160 HydrophobicContact CG-CG 4.45Å; R160-Y165 HydrophobicContact CB-CE1 4.09Å
161	N	87.5	Confident	81.9	Confident	71 Å²	71	132.1 Å²	132.1	38%	0.38	66%	0.655	S	S	.	*			trans	-74	124.5	173.4	-174	13.3	0	0	0	110	D163 N164 Y165	N161-D163 PolarHBondContact ND2-OD2 2.87Å; N161-D163 PolarHBondContact O-N 3.01Å; N161-D163 PolarHBondContact OD1-OD2 3.42Å; N161-N164 WeakPolarHBondContact O-CB 3.28Å; N161-N164 PolarHBondContact O-N 2.93Å; N161-N164 VanDerWaalsContact O-N 3.15Å; N161-Y165 WeakPolarHBondContact O-CD1 3.35Å; N161-Y165 WeakPolarHBondContact O-CE1 3.4Å
162	P	84.6	Confident	83.2	Confident	60 Å²	60	129.6 Å²	129.6	39%	0.39	64%	0.637	S	S	.	*	G	3₁₀ helix	trans	-48	-40.4	173.8	16.4	-32.6	0	0	0	114.4	N164 Y165 V166	P162-N164 PolarHBondContact O-N 3.05Å; P162-Y165 PolarHBondContact O-N 2.69Å; P162-V166 HydrophobicContact CB-CG2 4.03Å; P162-V166 WeakPolarHBondContact O-CB 3.39Å; P162-V166 WeakPolarHBondContact O-CG2 3.24Å; P162-V166 PolarHBondContact O-N 2.83Å
163	D	83.2	Confident	84.3	Confident	93 Å²	93	129.6 Å²	129.6	50%	0.497	64%	0.641	S	S	.	*	G	3₁₀ helix	trans	-59.1	-20.9	-176.8	-43.3	-30.9	0	0	0	113.4	N161 R175	N161-D163 PolarHBondContact ND2-OD2 2.87Å; N161-D163 PolarHBondContact O-N 3.01Å; N161-D163 PolarHBondContact OD1-OD2 3.42Å; D163-R175 PolarHBondContact O-NH1 2.9Å
164	N	81.8	Confident	84.9	Confident	110 Å²	110	128.6 Å²	128.6	59%	0.588	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-76.8	-20.9	178.4	-69.2	-24.5	0	0	0	113.3	N161 P162 R175	N161-N164 WeakPolarHBondContact O-CB 3.28Å; N161-N164 PolarHBondContact O-N 2.93Å; N161-N164 VanDerWaalsContact O-N 3.15Å; P162-N164 PolarHBondContact O-N 3.05Å; N164-R175 WeakPolarHBondContact O-CD 2.92Å
165	Y	81.9	Confident	85.4	Confident	102 Å²	102	126.1 Å²	126.1	40%	0.4	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	-136.7	-15.4	-173.1	60.3	-95.3	0	0	0	115.4	R160 N161 P162	R160-Y165 HydrophobicContact CB-CE1 4.09Å; N161-Y165 WeakPolarHBondContact O-CD1 3.35Å; N161-Y165 WeakPolarHBondContact O-CE1 3.4Å; P162-Y165 PolarHBondContact O-N 2.69Å
166	V	83.9	Confident	85.7	Confident	75 Å²	75	125.2 Å²	125.2	46%	0.455	62%	0.615	S	S	.	*	S	Bend	trans	-85.6	149.9	168.5	-175.1	0	0	0	0	108.6	P162	P162-V166 HydrophobicContact CB-CG2 4.03Å; P162-V166 WeakPolarHBondContact O-CB 3.39Å; P162-V166 WeakPolarHBondContact O-CG2 3.24Å; P162-V166 PolarHBondContact O-N 2.83Å
167	R	84.3	Confident	85.9	Confident	140 Å²	140	121.1 Å²	121.1	53%	0.528	61%	0.609	S	S	.	*			trans	-79.1	139.5	173.6	64.5	-175.8	177.8	155.8	-0.9	110.2	T169 K170 D172	R167-T169 WeakPolarHBondContact CD-O 3.35Å; R167-T169 WeakPolarHBondContact CG-O 3.39Å; R167-K170 PolarHBondContact NH1-O 3.33Å; R167-D172 HydrophobicContact CB-CB 4.26Å
168	E	82.9	Confident	86.1	Confident	143 Å²	143	122.9 Å²	122.9	67%	0.668	61%	0.607	S	S	*	*	S	Bend	trans	-77.4	-49	176.6	-67.7	163.4	-135.9	0	0	110.2	R175	E168-R175 IonicContact OE1-NH2 2.95Å; E168-R175 PolarHBondContact OE1-NH2 3.09Å
169	T	85.2	Confident	86.4	Confident	73 Å²	73	119.9 Å²	119.9	45%	0.448	59%	0.592	S	S	.	*	S	Bend	trans	-110.4	171.1	175.4	80.6	0	0	0	0	112.8	R167 L171 D172	R167-T169 WeakPolarHBondContact CD-O 3.35Å; R167-T169 WeakPolarHBondContact CG-O 3.39Å; T169-L171 VanDerWaalsContact C-N 3.29Å; T169-L171 PolarHBondContact O-N 2.79Å; T169-L171 PolarHBondContact OG1-N 3.2Å; T169-D172 WeakPolarHBondContact CA-OD2 3.25Å; T169-D172 VanDerWaalsContact CB-OD2 3.26Å; T169-D172 WeakPolarHBondContact CB-OD2 3.49Å; T169-D172 WeakPolarHBondContact CG2-OD2 3.44Å; T169-D172 PolarHBondContact N-OD2 3.45Å; T169-D172 PolarHBondContact OG1-N 3.36Å; T169-D172 PolarHBondContact OG1-OD2 3.35Å
170	K	85	Confident	86.7	Confident	178 Å²	178	123.1 Å²	123.1	77%	0.774	59%	0.59	S	S	*	*	S	Bend	trans	-70.4	-23.8	176.3	-72.2	-178.5	-177.6	173.4	0	113.6	R167	R167-K170 PolarHBondContact NH1-O 3.33Å
171	L	87.8	Confident	87	Confident	167 Å²	167	118.1 Å²	118.1	87%	0.874	58%	0.577	S	S	*	*	S	Bend	trans	-89.4	-16.8	-175.7	-63.3	175.7	0	0	0	112.9	T169	T169-L171 VanDerWaalsContact C-N 3.29Å; T169-L171 PolarHBondContact O-N 2.79Å; T169-L171 PolarHBondContact OG1-N 3.2Å
172	D	87.7	Confident	87.3	Confident	76 Å²	76	119 Å²	119	41%	0.406	59%	0.587	S	S	.	*	S	Bend	trans	-68.3	142.5	-178.5	-64.4	-48.2	0	0	0	113.1	R167 T169 Q174	R167-D172 HydrophobicContact CB-CB 4.26Å; T169-D172 WeakPolarHBondContact CA-OD2 3.25Å; T169-D172 VanDerWaalsContact CB-OD2 3.26Å; T169-D172 WeakPolarHBondContact CB-OD2 3.49Å; T169-D172 WeakPolarHBondContact CG2-OD2 3.44Å; T169-D172 PolarHBondContact N-OD2 3.45Å; T169-D172 PolarHBondContact OG1-N 3.36Å; T169-D172 PolarHBondContact OG1-OD2 3.35Å; D172-Q174 PolarHBondContact O-N 3.03Å
173	L	84.6	Confident	87.8	Confident	165 Å²	165	120.7 Å²	120.7	86%	0.864	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-68.7	127.5	172.8	-68.1	168.8	0	0	0	110.1	R175	L173-R175 PolarHBondContact O-N 3.48Å
174	Q	86.1	Confident	88.4	Confident	151 Å²	151	121.3 Å²	121.3	71%	0.706	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-61	120.4	175.5	-174.2	177.4	7.9	0	0	110.7	D172 V176	D172-Q174 PolarHBondContact O-N 3.03Å; Q174-V176 PolarHBondContact O-N 3.25Å
175	R	87	Confident	89	Confident	134 Å²	134	119.4 Å²	119.4	51%	0.506	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-69.4	120.2	175.6	-62.2	178.9	-173.6	151.2	7.4	109.3	D163 N164 E168 L173 P177	D163-R175 PolarHBondContact O-NH1 2.9Å; N164-R175 WeakPolarHBondContact O-CD 2.92Å; E168-R175 IonicContact OE1-NH2 2.95Å; E168-R175 PolarHBondContact OE1-NH2 3.09Å; L173-R175 PolarHBondContact O-N 3.48Å; R175-P177 WeakPolarHBondContact O-CD 3.47Å
176	V	88.4	Confident	89.6	Confident	104 Å²	104	117.7 Å²	117.7	63%	0.63	60%	0.598	S	S	*	*			trans	-112.2	97.5	178.5	-178.6	0	0	0	0	109.2	Q174	Q174-V176 PolarHBondContact O-N 3.25Å
177	P	90	Very high	90.1	Very high	115 Å²	115	121.8 Å²	121.8	75%	0.747	61%	0.609	S	S	*	*			trans	-64.8	143.5	175.5	27.6	-33.8	0	0	0	110.3	R175	R175-P177 WeakPolarHBondContact O-CD 3.47Å
178	R	91.9	Very high	90.5	Very high	190 Å²	190	120.2 Å²	120.2	72%	0.717	61%	0.608	S	S	*	*			trans	-125.5	128.8	-179.7	-73.9	-179.7	162	-172.7	-4.7	110.1	Y180	R178-Y180 HydrophobicContact CB-CE2 4.29Å
179	N	94.4	Very high	91.1	Very high	79 Å²	79	117.3 Å²	117.3	42%	0.422	60%	0.6	S	S	.	*			trans	-110.6	139.2	161.9	-171.5	-5.3	0	0	0	108.2	D181 L184 H185	N179-D181 PolarHBondContact ND2-OD2 3.46Å; N179-D181 PolarHBondContact OD1-N 3.08Å; N179-D181 VanDerWaalsContact OD1-N 3.08Å; N179-D181 PolarHBondContact OD1-OD2 3.12Å; N179-L184 HydrophobicContact CB-CD1 3.86Å; N179-L184 VanDerWaalsContact ND2-CD1 3.3Å; N179-L184 WeakPolarHBondContact ND2-CD1 3.46Å; N179-H185 PolarHBondContact O-NE2 2.73Å
180	Y	94.5	Very high	91.7	Very high	168 Å²	168	117 Å²	117	66%	0.659	60%	0.599	S	S	*	*			trans	-103.3	1.5	-176.9	-62.9	-76.2	0	0	0	113.5	R178 P182	R178-Y180 HydrophobicContact CB-CE2 4.29Å; Y180-P182 WeakPolarHBondContact O-CD 3.12Å
181	D	94.7	Very high	92.2	Very high	87 Å²	87	113.1 Å²	113.1	47%	0.465	58%	0.58	S	S	.	*			trans	-52.6	121	176.4	-67.4	-25.6	0	0	0	111.9	N179 A183 L184 H185	N179-D181 PolarHBondContact ND2-OD2 3.46Å; N179-D181 PolarHBondContact OD1-N 3.08Å; N179-D181 VanDerWaalsContact OD1-N 3.08Å; N179-D181 PolarHBondContact OD1-OD2 3.12Å; D181-A183 PolarHBondContact O-N 3.07Å; D181-A183 VanDerWaalsContact O-N 3.11Å; D181-L184 HydrophobicContact CB-CD1 4.27Å; D181-L184 HydrophobicContact CB-CG 4.29Å; D181-L184 PolarHBondContact O-N 3.06Å; D181-H185 PolarHBondContact O-CD2 2.84Å
182	P	94.2	Very high	92.6	Very high	89 Å²	89	107.3 Å²	107.3	58%	0.578	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-58.9	-28.1	-177.7	-28	36.1	0	0	0	113.9	Y180 L184 H185	Y180-P182 WeakPolarHBondContact O-CD 3.12Å; P182-L184 PolarHBondContact O-N 3.21Å; P182-H185 CarbonylContact O-C 3.49Å; P182-H185 PolarHBondContact O-N 2.83Å
183	A	95.3	Very high	93.1	Very high	96 Å²	96	106.1 Å²	106.1	79%	0.793	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-60.5	-29.2	175	0	0	0	0	0	113.3	D181	D181-A183 PolarHBondContact O-N 3.07Å; D181-A183 VanDerWaalsContact O-N 3.11Å
184	L	95	Very high	93.8	Very high	106 Å²	106	102.7 Å²	102.7	56%	0.555	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-84	-13.1	174.9	-61.8	177.3	0	0	0	112.8	N179 D181 P182 P186	N179-L184 HydrophobicContact CB-CD1 3.86Å; N179-L184 VanDerWaalsContact ND2-CD1 3.3Å; N179-L184 WeakPolarHBondContact ND2-CD1 3.46Å; D181-L184 HydrophobicContact CB-CD1 4.27Å; D181-L184 HydrophobicContact CB-CG 4.29Å; D181-L184 PolarHBondContact O-N 3.06Å; P182-L184 PolarHBondContact O-N 3.21Å; L184-P186 WeakPolarHBondContact O-CD 3.42Å
185	H	93.3	Very high	94.3	Very high	69 Å²	69	100.8 Å²	100.8	32%	0.319	51%	0.506	S	S	.	.	S	Bend	trans	-122.1	53.7	-176.6	-61.8	-71.3	0	0	0	113.4	N179 D181 P182 E188	N179-H185 PolarHBondContact O-NE2 2.73Å; D181-H185 PolarHBondContact O-CD2 2.84Å; P182-H185 CarbonylContact O-C 3.49Å; P182-H185 PolarHBondContact O-N 2.83Å; H185-E188 WeakPolarHBondContact O-CG 3.36Å
186	P	94.6	Very high	94.8	Very high	67 Å²	67	94.4 Å²	94.4	44%	0.435	48%	0.482	S	S	.	.			trans	-59.9	155.2	-178.9	27.4	-36.2	0	0	0	112.7	L184 R191	L184-P186 WeakPolarHBondContact O-CD 3.42Å; P186-R191 PolarHBondContact O-NH2 3.05Å
187	F	95.2	Very high	95.3	Very high	160 Å²	160	90.8 Å²	90.8	70%	0.702	46%	0.459	S	S	*	.			trans	63.9	43.1	-178.9	-47.5	-75.3	0	0	0	115.1	V189 P190 R191	F187-V189 PolarHBondContact O-N 3.01Å; F187-P190 HydrophobicContact CB-CB 4.31Å; F187-P190 HydrophobicContact CB-CG 4.16Å; F187-P190 HydrophobicContact CD1-CG 4.46Å; F187-P190 WeakPolarHBondContact O-CD 3.02Å; F187-R191 WeakPolarHBondContact O-CB 3.49Å; F187-R191 PolarHBondContact O-N 3.13Å
188	E	93.6	Very high	95.7	Very high	108 Å²	108	88.8 Å²	88.8	51%	0.505	44%	0.442	S	S	.	.	H	α-helix	trans	-50.3	-58.5	174.6	-59.6	-176.1	167.4	0	0	112.5	H185 R191 E192	H185-E188 WeakPolarHBondContact O-CG 3.36Å; E188-R191 WeakPolarHBondContact O-CB 3.33Å; E188-R191 PolarHBondContact O-N 2.87Å; E188-E192 WeakPolarHBondContact O-CG 3.19Å; E188-E192 PolarHBondContact O-N 2.82Å
189	V	95.3	Very high	95.9	Very high	82 Å²	82	80.3 Å²	80.3	50%	0.497	41%	0.412	S	S	.	.	H	α-helix	trans	-64	-46.7	-176.3	179.3	0	0	0	0	112.9	F187 R191 E192 Y193 F533	F187-V189 PolarHBondContact O-N 3.01Å; V189-R191 VanDerWaalsContact C-N 3.32Å; V189-R191 PolarHBondContact O-N 2.89Å; V189-E192 PolarHBondContact O-N 2.93Å; V189-Y193 WeakPolarHBondContact O-CB 3.35Å; V189-Y193 PolarHBondContact O-N 2.96Å; V189-F533 HydrophobicContact CG1-CE1 4.24Å; V189-F533 HydrophobicContact CG1-CZ 4.26Å
190	P	96.8	Very high	96.1	Very high	65 Å²	65	76.7 Å²	76.7	42%	0.422	39%	0.393	S	S	.	.	H	α-helix	trans	-59.8	-38.8	172.9	-26.4	35.3	0	0	0	113.6	F187 Y193 I194	F187-P190 HydrophobicContact CB-CB 4.31Å; F187-P190 HydrophobicContact CB-CG 4.16Å; F187-P190 HydrophobicContact CD1-CG 4.46Å; F187-P190 WeakPolarHBondContact O-CD 3.02Å; P190-Y193 PolarHBondContact O-N 2.98Å; P190-I194 VanDerWaalsContact O-CG1 3.31Å; P190-I194 WeakPolarHBondContact O-CG1 3.42Å; P190-I194 PolarHBondContact O-N 3.24Å
191	R	96.5	Very high	96.2	Very high	98 Å²	98	73.2 Å²	73.2	37%	0.37	38%	0.381	S	S	.	.	H	α-helix	trans	-65.9	-42.4	178.1	-170.2	-170.6	-57.3	-170.4	-0.3	111.2	P186 F187 E188 V189 R195	P186-R191 PolarHBondContact O-NH2 3.05Å; F187-R191 WeakPolarHBondContact O-CB 3.49Å; F187-R191 PolarHBondContact O-N 3.13Å; E188-R191 WeakPolarHBondContact O-CB 3.33Å; E188-R191 PolarHBondContact O-N 2.87Å; V189-R191 VanDerWaalsContact C-N 3.32Å; V189-R191 PolarHBondContact O-N 2.89Å; R191-R195 WeakPolarHBondContact O-CD 3.32Å; R191-R195 VanDerWaalsContact O-CG 3.25Å; R191-R195 WeakPolarHBondContact O-CG 3.23Å; R191-R195 PolarHBondContact O-N 2.82Å
192	E	96.6	Very high	96.3	Very high	44 Å²	44	73.4 Å²	73.4	21%	0.206	38%	0.382	C	S	.	.	H	α-helix	trans	-64.5	-43	172.4	-74	-164.3	149.7	0	0	112.8	E188 V189 I194 R195 A196 L529 K532 F533	E188-E192 WeakPolarHBondContact O-CG 3.19Å; E188-E192 PolarHBondContact O-N 2.82Å; V189-E192 PolarHBondContact O-N 2.93Å; E192-I194 PolarHBondContact O-N 3.07Å; E192-R195 WeakPolarHBondContact O-CB 3.09Å; E192-R195 PolarHBondContact O-N 3.03Å; E192-A196 WeakPolarHBondContact O-CB 3.31Å; E192-A196 PolarHBondContact O-N 2.73Å; E192-L529 HydrophobicContact CB-CD2 3.87Å; E192-L529 HydrophobicContact CG-CD2 3.98Å; E192-K532 IonicContact OE1-NZ 2.64Å; E192-K532 IonicContact OE2-NZ 3.7Å; E192-K532 PolarHBondContact OE2-NZ 3.3Å; E192-F533 HydrophobicContact CB-CE2 3.77Å; E192-F533 HydrophobicContact CB-CZ 3.96Å
193	Y	97.8	Very high	96.3	Very high	52 Å²	52	70.9 Å²	70.9	20%	0.204	36%	0.362	C	S	.	.	H	α-helix	trans	-61.1	-43.6	176.7	172.2	-101.6	0	0	0	111.9	V189 P190 R195 A196 L197 F533 Y536 I539	V189-Y193 WeakPolarHBondContact O-CB 3.35Å; V189-Y193 PolarHBondContact O-N 2.96Å; P190-Y193 PolarHBondContact O-N 2.98Å; Y193-R195 VanDerWaalsContact C-N 3.34Å; Y193-R195 PolarHBondContact O-N 2.85Å; Y193-A196 PolarHBondContact O-N 3.13Å; Y193-L197 WeakPolarHBondContact O-CB 3.47Å; Y193-L197 PolarHBondContact O-N 3.38Å; Y193-F533 AromaticContact CD2-CD1 3.97Å; Y193-F533 HydrophobicContact CD2-CD1 3.97Å; Y193-F533 HydrophobicContact CD2-CE1 4.46Å; Y193-F533 HydrophobicContact CD2-CG 4.45Å; Y193-Y536 HydrophobicContact CD2-CD1 4.12Å; Y193-Y536 HydrophobicContact CD2-CE1 4.49Å; Y193-Y536 HydrophobicContact CD2-CG 4.37Å; Y193-Y536 AromaticContact CE2-CD1 3.73Å; Y193-Y536 HydrophobicContact CE2-CD1 3.73Å; Y193-Y536 HydrophobicContact CE2-CE1 4.47Å; Y193-Y536 AromaticContact CE2-CG 3.98Å; Y193-Y536 HydrophobicContact CE2-CG 3.98Å; Y193-I539 HydrophobicContact CD2-CD1 3.84Å; Y193-I539 HydrophobicContact CE2-CD1 3.61Å; Y193-I539 HydrophobicContact CE2-CG1 4.25Å
194	I	97.7	Very high	96.3	Very high	93 Å²	93	69.1 Å²	69.1	48%	0.477	34%	0.335	S	S	.	.	H	α-helix	trans	-64	-39.6	175.3	-68.5	166.1	0	0	0	110.8	P190 E192 L197 N198	P190-I194 VanDerWaalsContact O-CG1 3.31Å; P190-I194 WeakPolarHBondContact O-CG1 3.42Å; P190-I194 PolarHBondContact O-N 3.24Å; E192-I194 PolarHBondContact O-N 3.07Å; I194-L197 PolarHBondContact O-N 2.99Å; I194-N198 WeakPolarHBondContact O-CB 3.37Å; I194-N198 VanDerWaalsContact O-CG 3.24Å; I194-N198 PolarHBondContact O-N 3.33Å
195	R	97.8	Very high	96.3	Very high	110 Å²	110	68.9 Å²	68.9	42%	0.415	34%	0.338	S	S	.	.	H	α-helix	trans	-62	-45.2	173.4	-72.9	166.3	177	-175.2	1.8	111.8	R191 E192 Y193 N198 A199 Y525 L529	R191-R195 WeakPolarHBondContact O-CD 3.32Å; R191-R195 VanDerWaalsContact O-CG 3.25Å; R191-R195 WeakPolarHBondContact O-CG 3.23Å; R191-R195 PolarHBondContact O-N 2.82Å; E192-R195 WeakPolarHBondContact O-CB 3.09Å; E192-R195 PolarHBondContact O-N 3.03Å; Y193-R195 VanDerWaalsContact C-N 3.34Å; Y193-R195 PolarHBondContact O-N 2.85Å; R195-N198 PolarHBondContact O-N 2.88Å; R195-A199 VanDerWaalsContact O-CB 3.32Å; R195-A199 WeakPolarHBondContact O-CB 3.48Å; R195-A199 PolarHBondContact O-N 3.29Å; R195-Y525 PolarHBondContact NH1-OH 3.49Å; R195-L529 HydrophobicContact CB-CD1 3.57Å
196	A	98.1	Very high	96.4	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-62.5	-43	176	0	0	0	0	0	112.2	E192 Y193 A199 T200 L529 F533 I539	E192-A196 WeakPolarHBondContact O-CB 3.31Å; E192-A196 PolarHBondContact O-N 2.73Å; Y193-A196 PolarHBondContact O-N 3.13Å; A196-A199 PolarHBondContact O-N 2.79Å; A196-T200 PolarHBondContact O-N 3.18Å; A196-T200 PolarHBondContact O-OG1 2.56Å; A196-L529 HydrophobicContact CB-CB 4.06Å; A196-F533 HydrophobicContact CB-CB 4.07Å; A196-F533 HydrophobicContact CB-CD2 3.84Å; A196-F533 HydrophobicContact CB-CG 4.22Å; A196-I539 HydrophobicContact CB-CD1 3.85Å
197	L	98.1	Very high	96.5	Very high	28 Å²	28	69.9 Å²	69.9	15%	0.147	34%	0.341	C	S	.	.	H	α-helix	trans	-62.7	-44.3	175.6	-178.1	63.7	0	0	0	111.5	Y193 I194 T200 K201 H538 I539 I542	Y193-L197 WeakPolarHBondContact O-CB 3.47Å; Y193-L197 PolarHBondContact O-N 3.38Å; I194-L197 PolarHBondContact O-N 2.99Å; L197-T200 PolarHBondContact O-N 3.39Å; L197-T200 PolarHBondContact O-OG1 2.92Å; L197-K201 WeakPolarHBondContact O-CG 3.4Å; L197-K201 PolarHBondContact O-N 2.91Å; L197-K201 VanDerWaalsContact O-N 3.07Å; L197-H538 HydrophobicContact CD1-CB 4.32Å; L197-I539 HydrophobicContact CB-CG1 4.34Å; L197-I539 HydrophobicContact CD1-CG1 4.05Å; L197-I542 HydrophobicContact CD1-CD1 3.72Å
198	N	97.9	Very high	96.5	Very high	74 Å²	74	69.3 Å²	69.3	40%	0.396	34%	0.338	S	S	.	.	H	α-helix	trans	-67	-40.4	176	-70.8	-12.5	0	0	0	111.5	I194 R195 T200 K201 L202	I194-N198 WeakPolarHBondContact O-CB 3.37Å; I194-N198 VanDerWaalsContact O-CG 3.24Å; I194-N198 PolarHBondContact O-N 3.33Å; R195-N198 PolarHBondContact O-N 2.88Å; N198-T200 PolarHBondContact O-N 3.02Å; N198-K201 PolarHBondContact O-N 3.31Å; N198-L202 WeakPolarHBondContact O-CB 3.47Å; N198-L202 VanDerWaalsContact O-CG 3.29Å; N198-L202 WeakPolarHBondContact O-CG 3.39Å; N198-L202 PolarHBondContact O-N 3.14Å
199	A	97.4	Very high	96.6	Very high	11 Å²	11	65.3 Å²	65.3	9%	0.091	32%	0.322	C	S	.	.	H	α-helix	trans	-59.8	-44.5	174.9	0	0	0	0	0	112.4	R195 A196 L202 E203 N526 K530	R195-A199 VanDerWaalsContact O-CB 3.32Å; R195-A199 WeakPolarHBondContact O-CB 3.48Å; R195-A199 PolarHBondContact O-N 3.29Å; A196-A199 PolarHBondContact O-N 2.79Å; A199-L202 PolarHBondContact O-N 3.06Å; A199-E203 WeakPolarHBondContact O-CB 3.32Å; A199-E203 PolarHBondContact O-N 3.19Å; A199-N526 HydrophobicContact CB-CB 3.95Å; A199-K530 HydrophobicContact CB-CD 4.41Å; A199-K530 HydrophobicContact CB-CG 4.21Å
200	T	97	Very high	96.6	Very high	3 Å²	3	66.1 Å²	66.1	2%	0.018	32%	0.319	C	S	.	.	H	α-helix	trans	-66.3	-36.1	175.2	53.8	0	0	0	0	113.3	A196 L197 N198 R204 K530 I539	A196-T200 PolarHBondContact O-N 3.18Å; A196-T200 PolarHBondContact O-OG1 2.56Å; L197-T200 PolarHBondContact O-N 3.39Å; L197-T200 PolarHBondContact O-OG1 2.92Å; N198-T200 PolarHBondContact O-N 3.02Å; T200-R204 WeakPolarHBondContact O-CG 3.48Å; T200-R204 PolarHBondContact O-N 2.85Å; T200-K530 HydrophobicContact CG2-CD 3.81Å; T200-K530 HydrophobicContact CG2-CG 3.75Å; T200-I539 HydrophobicContact CG2-CG2 3.89Å
201	K	97.1	Very high	96.5	Very high	95 Å²	95	66 Å²	66	41%	0.413	31%	0.314	S	S	.	.	H	α-helix	trans	-64.5	-48.2	173.2	-72	171.6	-179.8	177.1	0	111.4	L197 N198 E203 R204 V205 I542	L197-K201 WeakPolarHBondContact O-CG 3.4Å; L197-K201 PolarHBondContact O-N 2.91Å; L197-K201 VanDerWaalsContact O-N 3.07Å; N198-K201 PolarHBondContact O-N 3.31Å; K201-E203 PolarHBondContact O-N 3.02Å; K201-R204 PolarHBondContact O-N 2.75Å; K201-R204 VanDerWaalsContact O-N 3.13Å; K201-V205 WeakPolarHBondContact O-CG2 3.48Å; K201-V205 PolarHBondContact O-N 3.34Å; K201-I542 HydrophobicContact CG-CD1 4.22Å
202	L	96.1	Very high	96.4	Very high	91 Å²	91	61.9 Å²	61.9	48%	0.476	30%	0.301	S	S	.	.	H	α-helix	trans	-62.4	-42.2	178.7	-69	174.2	0	0	0	111.7	N198 A199 R204 V205 F206	N198-L202 WeakPolarHBondContact O-CB 3.47Å; N198-L202 VanDerWaalsContact O-CG 3.29Å; N198-L202 WeakPolarHBondContact O-CG 3.39Å; N198-L202 PolarHBondContact O-N 3.14Å; A199-L202 PolarHBondContact O-N 3.06Å; L202-R204 VanDerWaalsContact C-N 3.26Å; L202-R204 PolarHBondContact O-N 2.85Å; L202-V205 PolarHBondContact O-N 3.13Å; L202-F206 HydrophobicContact CB-CD2 4.19Å; L202-F206 HydrophobicContact CB-CE2 4.22Å; L202-F206 HydrophobicContact CD2-CE2 3.98Å; L202-F206 WeakPolarHBondContact O-CB 3.49Å; L202-F206 WeakPolarHBondContact O-CD2 3.44Å; L202-F206 PolarHBondContact O-N 3.08Å
203	E	95	Very high	96.2	Very high	36 Å²	36	61.9 Å²	61.9	17%	0.168	31%	0.306	C	S	.	.	H	α-helix	trans	-56.1	-39.8	172.7	171.5	168.4	-128.2	0	0	112.3	A199 K201 A207 S509 K530	A199-E203 WeakPolarHBondContact O-CB 3.32Å; A199-E203 PolarHBondContact O-N 3.19Å; K201-E203 PolarHBondContact O-N 3.02Å; E203-A207 WeakPolarHBondContact O-CB 3.37Å; E203-A207 PolarHBondContact O-N 2.84Å; E203-A207 VanDerWaalsContact O-N 3.08Å; E203-S509 WeakPolarHBondContact O-CB 3.44Å; E203-K530 IonicContact OE1-NZ 3.66Å; E203-K530 PolarHBondContact OE1-NZ 2.99Å; E203-K530 VanDerWaalsContact OE2-CD 3.24Å; E203-K530 WeakPolarHBondContact OE2-CD 3.25Å; E203-K530 IonicContact OE2-NZ 3.98Å; E203-K530 PolarHBondContact OE2-NZ 3.47Å
204	R	95.1	Very high	96	Very high	59 Å²	59	59.5 Å²	59.5	22%	0.223	30%	0.296	C	S	.	.	H	α-helix	trans	-75	-33.6	177.4	-67.4	-73.9	158.6	-112.5	0	113.1	T200 K201 L202 I542 A543 R546	T200-R204 WeakPolarHBondContact O-CG 3.48Å; T200-R204 PolarHBondContact O-N 2.85Å; K201-R204 PolarHBondContact O-N 2.75Å; K201-R204 VanDerWaalsContact O-N 3.13Å; L202-R204 VanDerWaalsContact C-N 3.26Å; L202-R204 PolarHBondContact O-N 2.85Å; R204-I542 HydrophobicContact CG-CG2 4.04Å; R204-I542 PolarHBondContact NE-O 3.12Å; R204-A543 PolarHBondContact NE-O 3.32Å; R204-A543 PolarHBondContact NH2-O 3.07Å; R204-R546 VanDerWaalsContact NH2-NH2 3.16Å
205	V	95.3	Very high	95.6	Very high	101 Å²	101	60.3 Å²	60.3	61%	0.612	30%	0.302	S	S	*	.	H	α-helix	trans	-70.4	-38.7	174.2	171.1	0	0	0	0	111.9	K201 L202	K201-V205 WeakPolarHBondContact O-CG2 3.48Å; K201-V205 PolarHBondContact O-N 3.34Å; L202-V205 PolarHBondContact O-N 3.13Å
206	F	95.9	Very high	95	Very high	124 Å²	124	56.5 Å²	56.5	54%	0.544	30%	0.297	S	S	.	.	S	Bend	trans	-87.9	-0.2	179.3	-65.1	-56	0	0	0	114.1	L202 K208 S509	L202-F206 HydrophobicContact CB-CD2 4.19Å; L202-F206 HydrophobicContact CB-CE2 4.22Å; L202-F206 HydrophobicContact CD2-CE2 3.98Å; L202-F206 WeakPolarHBondContact O-CB 3.49Å; L202-F206 WeakPolarHBondContact O-CD2 3.44Å; L202-F206 PolarHBondContact O-N 3.08Å; F206-K208 VanDerWaalsContact C-N 3.34Å; F206-K208 PolarHBondContact O-N 3.38Å; F206-S509 WeakPolarHBondContact O-CA 3.39Å
207	A	95.6	Very high	94.7	Very high	33 Å²	33	57 Å²	57	27%	0.273	30%	0.299	S	S	.	.			trans	-66.3	88.3	176.1	0	0	0	0	0	111.4	E203 A508	E203-A207 WeakPolarHBondContact O-CB 3.37Å; E203-A207 PolarHBondContact O-N 2.84Å; E203-A207 VanDerWaalsContact O-N 3.08Å; A207-A508 HydrophobicContact CB-CB 4.03Å
208	K	95.1	Very high	94.5	Very high	148 Å²	148	64.3 Å²	64.3	64%	0.643	33%	0.325	S	S	*	.			trans	-124.6	81.6	177.6	-65.3	-175.6	-179.5	-176.6	0	108.1	F206 A508	F206-K208 VanDerWaalsContact C-N 3.34Å; F206-K208 PolarHBondContact O-N 3.38Å; K208-A508 CarbonylContact C-O 3.52Å; K208-A508 PolarHBondContact N-O 3.35Å
209	P	96.3	Very high	94.3	Very high	25 Å²	25	63.7 Å²	63.7	16%	0.162	32%	0.321	C	S	.	.			trans	-79.5	-32.8	-170.6	30.3	-34.7	0	0	0	113.4	L211 Y472 W504 K505 A508	P209-L211 PolarHBondContact O-N 3.49Å; P209-Y472 HydrophobicContact CB-CD1 3.8Å; P209-Y472 HydrophobicContact CB-CD2 4.32Å; P209-Y472 HydrophobicContact CB-CE1 3.35Å; P209-Y472 HydrophobicContact CB-CE2 3.9Å; P209-Y472 HydrophobicContact CB-CG 4.29Å; P209-Y472 HydrophobicContact CG-CD1 3.68Å; P209-Y472 HydrophobicContact CG-CE1 3.61Å; P209-Y472 HydrophobicContact CG-CG 4.36Å; P209-W504 HydrophobicContact CB-CE3 4.1Å; P209-W504 HydrophobicContact CG-CE3 4.19Å; P209-W504 HydrophobicContact CG-CZ3 4.24Å; P209-W504 CarbonylContact O-C 3.6Å; P209-W504 VanDerWaalsContact O-CA 3.27Å; P209-W504 WeakPolarHBondContact O-CA 3.11Å; P209-K505 PolarHBondContact O-N 2.97Å; P209-A508 HydrophobicContact CB-CB 3.82Å; P209-A508 HydrophobicContact CG-CB 4.3Å
210	F	96.3	Very high	94.1	Very high	98 Å²	98	63.1 Å²	63.1	43%	0.43	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	130.2	179.3	-179.3	-109.4	0	0	0	110.8	A212 R502 W504	F210-A212 VanDerWaalsContact CE2-O 3.29Å; F210-A212 WeakPolarHBondContact CE2-O 3.38Å; F210-A212 VanDerWaalsContact CZ-C 3.44Å; F210-R502 HydrophobicContact CE2-CB 4.16Å; F210-R502 HydrophobicContact CE2-CG 3.92Å; F210-W504 HydrophobicContact CB-CE3 3.92Å; F210-W504 HydrophobicContact CB-CH2 4.43Å; F210-W504 HydrophobicContact CB-CZ3 3.72Å; F210-W504 HydrophobicContact CD2-CD2 4.45Å; F210-W504 HydrophobicContact CD2-CE3 4.33Å; F210-W504 HydrophobicContact CD2-CH2 4.26Å; F210-W504 HydrophobicContact CD2-CZ2 4.34Å; F210-W504 HydrophobicContact CD2-CZ3 4.24Å; F210-W504 HydrophobicContact CG-CZ3 4.46Å
211	L	93.9	Very high	94.1	Very high	64 Å²	64	63 Å²	63	34%	0.335	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	-51	-178.8	-175.5	66.1	0	0	0	112.3	P209 Y491 L503 L512	P209-L211 PolarHBondContact O-N 3.49Å; L211-Y491 HydrophobicContact CD2-CD1 3.99Å; L211-Y491 HydrophobicContact CD2-CE1 3.78Å; L211-L503 HydrophobicContact CB-CB 4.29Å; L211-L503 WeakPolarHBondContact CB-O 3.38Å; L211-L503 PolarHBondContact N-O 3.25Å; L211-L512 HydrophobicContact CD1-CD1 3.88Å
212	A	93.4	Very high	94	Very high	10 Å²	10	60.2 Å²	60.2	8%	0.083	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	159.5	-177.7	0	0	0	0	0	112	F210 L503	F210-A212 VanDerWaalsContact CE2-O 3.29Å; F210-A212 WeakPolarHBondContact CE2-O 3.38Å; F210-A212 VanDerWaalsContact CZ-C 3.44Å; A212-L503 HydrophobicContact CB-CB 4.46Å; A212-L503 HydrophobicContact CB-CD1 4.34Å; A212-L503 PolarHBondContact N-O 3.44Å; A212-L503 PolarHBondContact O-N 3.14Å
213	S	93.8	Very high	93.9	Very high	45 Å²	45	56.5 Å²	56.5	32%	0.315	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	140.3	158.6	-134.8	0	0	0	0	107.5	N500 I501	S213-N500 PolarHBondContact OG-OD1 3.06Å; S213-I501 CarbonylContact C-O 3.58Å; S213-I501 WeakPolarHBondContact CA-O 3.47Å
214	L	93.3	Very high	93.9	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	116.7	162.2	-52.9	173.3	0	0	0	105.4	W246 L248 R251 M493 I501 L503	L214-W246 HydrophobicContact CB-CD2 4.21Å; L214-W246 HydrophobicContact CB-CE3 3.81Å; L214-W246 HydrophobicContact CB-CH2 4.18Å; L214-W246 HydrophobicContact CB-CZ3 3.8Å; L214-W246 HydrophobicContact CD1-CB 4.16Å; L214-W246 HydrophobicContact CD1-CD2 4.06Å; L214-W246 HydrophobicContact CD1-CE3 4.12Å; L214-W246 HydrophobicContact CD1-CG 4.07Å; L214-W246 HydrophobicContact CD2-CE3 4.27Å; L214-W246 HydrophobicContact CG-CE3 4.29Å; L214-L248 HydrophobicContact CD1-CD2 4.16Å; L214-R251 HydrophobicContact CD2-CB 3.72Å; L214-R251 HydrophobicContact CD2-CG 4.25Å; L214-M493 HydrophobicContact CD1-CE 4.31Å; L214-I501 HydrophobicContact CB-CB 4.22Å; L214-I501 HydrophobicContact CD1-CG2 4.42Å; L214-I501 PolarHBondContact N-O 2.98Å; L214-I501 PolarHBondContact O-N 3.35Å; L214-I501 VanDerWaalsContact O-N 3.1Å; L214-L503 HydrophobicContact CD1-CD1 4.2Å; L214-L503 HydrophobicContact CD2-CD1 4.24Å; L214-L503 HydrophobicContact CG-CD1 4.17Å
215	D	89.7	Confident	94	Very high	111 Å²	111	53 Å²	53	59%	0.594	28%	0.275	S	S	*	.			trans	-116.3	147	-171.9	-166.5	17.5	0	0	0	109.8	W246 N500	D215-W246 WeakPolarHBondContact O-CH2 3.49Å; D215-N500 PolarHBondContact OD1-ND2 3.37Å; D215-N500 VanDerWaalsContact OD1-ND2 3.1Å
216	G	84.1	Confident	93.9	Very high	30 Å²	30	50.7 Å²	50.7	31%	0.309	26%	0.257	S	S	.	.			trans	146.9	-19.8	172.5	0	0	0	0	0	117.2	R244	G216-R244 VanDerWaalsContact C-CZ 3.45Å; G216-R244 PolarHBondContact O-NH1 2.95Å; G216-R244 PolarHBondContact O-NH2 3.49Å
217	H	93.1	Very high	93.8	Very high	9 Å²	9	45 Å²	45	4%	0.042	23%	0.232	C	C	.	.			trans	-60.9	151.2	171.3	-75.6	-67.4	0	0	0	110.8	V221 S236 A238 R244 M499	H217-V221 HydrophobicContact CB-CG2 4.49Å; H217-V221 VanDerWaalsContact CD2-CG2 3.45Å; H217-V221 WeakPolarHBondContact CD2-CG2 3.33Å; H217-S236 PolarHBondContact CE1-OG 3.23Å; H217-S236 PolarHBondContact NE2-OG 2.98Å; H217-A238 HydrophobicContact CB-CB 4.24Å; H217-R244 WeakPolarHBondContact ND1-CD 3.39Å; H217-M499 HydrophobicContact CB-CB 4.14Å; H217-M499 WeakPolarHBondContact O-CB 3.32Å
218	R	92.3	Very high	93.6	Very high	182 Å²	182	45.7 Å²	45.7	69%	0.687	23%	0.234	S	C	*	.	S	Bend	trans	-93.3	-24.8	179.5	-58.1	174.7	172.6	151.4	-12.5	112.5	D240 E242 M499	R218-D240 WeakPolarHBondContact CB-OD2 3.12Å; R218-D240 PolarHBondContact N-OD2 2.84Å; R218-E242 VanDerWaalsContact CD-OE1 3.29Å; R218-E242 WeakPolarHBondContact CD-OE1 3.42Å; R218-E242 IonicContact CZ-OE1 3.27Å; R218-E242 VanDerWaalsContact CZ-OE1 3.27Å; R218-E242 IonicContact NE-OE1 3.39Å; R218-E242 PolarHBondContact NE-OE1 2.79Å; R218-E242 IonicContact NH1-OE1 2.78Å; R218-E242 PolarHBondContact NH1-OE1 3.2Å; R218-M499 WeakPolarHBondContact O-CE 3.17Å
219	D	94.6	Very high	93.3	Very high	61 Å²	61	45.2 Å²	45.2	33%	0.326	23%	0.234	S	C	.	.	S	Bend	trans	-128.2	175.3	172.8	-156.6	1.3	0	0	0	113	C239 D240 M499	D219-C239 HydrophobicContact CB-CB 4.17Å; D219-C239 WeakPolarHBondContact OD2-CB 3.35Å; D219-D240 HydrophobicContact CB-CB 3.92Å; D219-D240 PolarHBondContact N-OD2 2.87Å; D219-D240 VanDerWaalsContact N-OD2 3.12Å; D219-M499 WeakPolarHBondContact O-CA 3.33Å; D219-M499 WeakPolarHBondContact O-CB 3.39Å; D219-M499 VanDerWaalsContact O-CG 3.31Å; D219-M499 WeakPolarHBondContact O-CG 3.45Å
220	G	93.8	Very high	93.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.246	C	C	.	.			trans	-56.8	142.8	-175.5	0	0	0	0	0	114.3	N222 A238 C239 D497	G220-N222 PolarHBondContact O-N 3.4Å; G220-A238 CarbonylContact O-C 3.57Å; G220-A238 VanDerWaalsContact O-CA 3.25Å; G220-A238 WeakPolarHBondContact O-CA 3.11Å; G220-C239 PolarHBondContact O-N 3.28Å; G220-C239 PolarHBondContact O-SG 3.24Å; G220-D497 VanDerWaalsContact CA-O 3.29Å; G220-D497 WeakPolarHBondContact CA-O 3.25Å
221	V	96.1	Very high	92.9	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	101.2	-177	-175.9	0	0	0	0	110.6	H217 L224 C482 S496 M499 I501	H217-V221 HydrophobicContact CB-CG2 4.49Å; H217-V221 VanDerWaalsContact CD2-CG2 3.45Å; H217-V221 WeakPolarHBondContact CD2-CG2 3.33Å; V221-L224 HydrophobicContact CG1-CD2 4.42Å; V221-L224 HydrophobicContact CG1-CG 4.41Å; V221-C482 PolarHBondContact O-SG 2.98Å; V221-S496 PolarHBondContact N-O 2.89Å; V221-S496 VanDerWaalsContact N-O 3.11Å; V221-M499 VanDerWaalsContact CG2-O 3.3Å; V221-M499 WeakPolarHBondContact CG2-O 3.42Å; V221-I501 HydrophobicContact CG1-CG1 4.19Å; V221-I501 HydrophobicContact CG2-CG1 3.94Å
222	N	94.8	Very high	92.8	Very high	37 Å²	37	46.3 Å²	46.3	20%	0.198	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-38.8	-177.3	-176.6	54	0	0	0	112.9	G220 G237 V264 R265 C482	G220-N222 PolarHBondContact O-N 3.4Å; N222-G237 PolarHBondContact N-O 3.42Å; N222-V264 PolarHBondContact ND2-O 2.91Å; N222-R265 PolarHBondContact ND2-O 3.34Å; N222-C482 WeakPolarHBondContact O-CB 3.46Å
223	C	94.2	Very high	92.8	Very high	13 Å²	13	47 Å²	47	9%	0.088	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	151.8	-175.4	59.9	0	0	0	0	114.3	S236 G237 V264	C223-S236 WeakPolarHBondContact O-CA 3.27Å; C223-G237 PolarHBondContact N-O 2.91Å; C223-G237 PolarHBondContact O-N 3.36Å; C223-V264 PolarHBondContact SG-O 3.21Å; C223-V264 VanDerWaalsContact SG-O 3.34Å
224	L	96.3	Very high	92.9	Very high	11 Å²	11	45.2 Å²	45.2	6%	0.058	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	136.1	178.8	-77.7	172.1	0	0	0	110.5	V221 V234 L235 K484 M493 I501	V221-L224 HydrophobicContact CG1-CD2 4.42Å; V221-L224 HydrophobicContact CG1-CG 4.41Å; L224-V234 HydrophobicContact CD2-CG1 4.37Å; L224-L235 WeakPolarHBondContact CA-O 3.08Å; L224-K484 HydrophobicContact CB-CG 3.93Å; L224-M493 HydrophobicContact CD1-CB 4.36Å; L224-I501 HydrophobicContact CD1-CG2 4.47Å; L224-I501 HydrophobicContact CD2-CD1 4.11Å; L224-I501 HydrophobicContact CD2-CG1 4.44Å; L224-I501 HydrophobicContact CD2-CG2 4.27Å
225	A	95.4	Very high	93	Very high	9 Å²	9	45.2 Å²	45.2	7%	0.074	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	133.3	173.3	0	0	0	0	0	111.3	V234 L235 I267 T269	A225-V234 WeakPolarHBondContact O-CG1 3.49Å; A225-L235 HydrophobicContact CB-CB 4.31Å; A225-L235 PolarHBondContact N-O 2.65Å; A225-L235 PolarHBondContact O-N 2.71Å; A225-I267 HydrophobicContact CB-CB 4.23Å; A225-I267 HydrophobicContact CB-CG2 3.77Å; A225-T269 HydrophobicContact CB-CG2 4.26Å
226	K	94.3	Very high	93.3	Very high	53 Å²	53	39.9 Å²	39.9	23%	0.23	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	142	176	63	-166.3	174.7	-160.6	0	110.1	T269 D441	K226-T269 PolarHBondContact O-OG1 3.42Å; K226-D441 IonicContact NZ-OD2 3.86Å; K226-D441 PolarHBondContact NZ-OD2 3.41Å
227	H	94	Very high	93.9	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.019	19%	0.19	C	C	.	.			trans	-67.9	138.9	170	-171.3	-55.1	0	0	0	109.9	E229 K230 T233 G273	H227-E229 PolarHBondContact ND1-N 3.17Å; H227-E229 VanDerWaalsContact ND1-N 3.14Å; H227-K230 HydrophobicContact CB-CB 4.33Å; H227-K230 PolarHBondContact ND1-N 2.88Å; H227-K230 WeakPolarHBondContact NE2-CD 3.3Å; H227-T233 HydrophobicContact CB-CG2 4.41Å; H227-T233 VanDerWaalsContact CB-O 3.29Å; H227-T233 WeakPolarHBondContact CB-O 3.42Å; H227-T233 PolarHBondContact N-O 2.83Å; H227-G273 PolarHBondContact NE2-O 3.4Å
228	P	90.8	Very high	94.1	Very high	48 Å²	48	38 Å²	38	31%	0.312	19%	0.188	S	C	.	.	S	Bend	trans	-66.4	-51.4	-177.2	21.6	-31.9	0	0	0	112.4	T269 R270 F271	P228-T269 WeakPolarHBondContact CD-OG1 3.37Å; P228-R270 WeakPolarHBondContact CG-O 3.46Å; P228-F271 WeakPolarHBondContact CG-O 3.02Å
229	E	89.6	Confident	94.2	Very high	139 Å²	139	30 Å²	30	65%	0.65	16%	0.159	S	C	*	.	S	Bend	trans	-87.1	-49.3	-177.1	-51.6	179.4	164.7	0	0	114	H227 L231	H227-E229 PolarHBondContact ND1-N 3.17Å; H227-E229 VanDerWaalsContact ND1-N 3.14Å; E229-L231 PolarHBondContact O-N 3.04Å
230	K	91.9	Very high	94.1	Very high	95 Å²	95	28.9 Å²	28.9	41%	0.413	15%	0.153	S	C	.	.			trans	-81.9	97.4	-175.4	-61.3	175.4	-168.1	159.3	0	111.4	H227 A232 T233	H227-K230 HydrophobicContact CB-CB 4.33Å; H227-K230 PolarHBondContact ND1-N 2.88Å; H227-K230 WeakPolarHBondContact NE2-CD 3.3Å; K230-A232 PolarHBondContact O-N 3.47Å; K230-T233 PolarHBondContact O-N 3.25Å; K230-T233 VanDerWaalsContact O-N 3.11Å
231	L	91.9	Very high	94.1	Very high	85 Å²	85	28.9 Å²	28.9	45%	0.445	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-31.7	177.6	178.4	64.4	0	0	0	114.6	E229 D488	E229-L231 PolarHBondContact O-N 3.04Å; L231-D488 HydrophobicContact CD1-CB 3.85Å; L231-D488 HydrophobicContact CD2-CB 3.89Å
232	A	92.5	Very high	94	Very high	30 Å²	30	29.2 Å²	29.2	25%	0.248	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-12.8	-174.8	0	0	0	0	0	114.6	K230 N247 L248 T249	K230-A232 PolarHBondContact O-N 3.47Å; A232-N247 CarbonylContact O-C 3.42Å; A232-N247 WeakPolarHBondContact O-CA 3.49Å; A232-L248 WeakPolarHBondContact O-CG 3.43Å; A232-L248 PolarHBondContact O-N 2.88Å; A232-T249 HydrophobicContact CB-CG2 3.88Å
233	T	93.4	Very high	94.1	Very high	24 Å²	24	27.4 Å²	27.4	15%	0.147	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	126.7	-171	-54.9	0	0	0	0	111	H227 K230 I245 W246	H227-T233 HydrophobicContact CB-CG2 4.41Å; H227-T233 VanDerWaalsContact CB-O 3.29Å; H227-T233 WeakPolarHBondContact CB-O 3.42Å; H227-T233 PolarHBondContact N-O 2.83Å; K230-T233 PolarHBondContact O-N 3.25Å; K230-T233 VanDerWaalsContact O-N 3.11Å; T233-I245 HydrophobicContact CG2-CG2 3.79Å; T233-W246 WeakPolarHBondContact CA-O 3.32Å
234	V	95.1	Very high	94.1	Very high	7 Å²	7	28.2 Å²	28.2	4%	0.042	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	139.6	180	-179.1	0	0	0	0	110.8	L224 A225 W246 L248 M493	L224-V234 HydrophobicContact CD2-CG1 4.37Å; A225-V234 WeakPolarHBondContact O-CG1 3.49Å; V234-W246 PolarHBondContact N-O 2.92Å; V234-W246 VanDerWaalsContact N-O 3.15Å; V234-W246 PolarHBondContact O-N 2.92Å; V234-L248 HydrophobicContact CG2-CD1 3.77Å; V234-L248 HydrophobicContact CG2-CD2 4.1Å; V234-L248 HydrophobicContact CG2-CG 3.93Å; V234-M493 HydrophobicContact CB-CE 4.05Å; V234-M493 HydrophobicContact CB-SD 4.21Å; V234-M493 HydrophobicContact CG1-CE 3.6Å; V234-M493 HydrophobicContact CG1-SD 3.89Å; V234-M493 HydrophobicContact CG2-CE 4.18Å; V234-M493 HydrophobicContact CG2-SD 3.69Å
235	L	95.7	Very high	94	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	147.9	174.7	-54.6	178.8	0	0	0	110.7	L224 A225 R244 I245 I267 T269 F276 M290	L224-L235 WeakPolarHBondContact CA-O 3.08Å; A225-L235 HydrophobicContact CB-CB 4.31Å; A225-L235 PolarHBondContact N-O 2.65Å; A225-L235 PolarHBondContact O-N 2.71Å; L235-R244 WeakPolarHBondContact CA-O 3.37Å; L235-I245 HydrophobicContact CD2-CB 4.07Å; L235-I245 HydrophobicContact CD2-CD1 3.85Å; L235-I245 HydrophobicContact CD2-CG1 3.55Å; L235-I245 HydrophobicContact CD2-CG2 3.93Å; L235-I267 HydrophobicContact CB-CG2 4.03Å; L235-I267 HydrophobicContact CD1-CG2 3.69Å; L235-T269 HydrophobicContact CD1-CG2 3.68Å; L235-T269 HydrophobicContact CG-CG2 4.41Å; L235-F276 HydrophobicContact CD1-CB 3.49Å; L235-F276 VanDerWaalsContact CD1-CB 3.49Å; L235-F276 HydrophobicContact CD1-CD1 4.05Å; L235-F276 HydrophobicContact CD1-CD2 3.74Å; L235-F276 HydrophobicContact CD1-CE2 4.44Å; L235-F276 HydrophobicContact CD1-CG 3.5Å; L235-M290 HydrophobicContact CD1-CE 3.95Å; L235-M290 HydrophobicContact CD1-SD 4.32Å; L235-M290 HydrophobicContact CD2-SD 4.2Å; L235-M290 HydrophobicContact CG-CE 4.45Å
236	S	96.5	Very high	94	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	137	174.4	58.9	0	0	0	0	110.7	H217 C223 V243 R244 W246 I501	H217-S236 PolarHBondContact CE1-OG 3.23Å; H217-S236 PolarHBondContact NE2-OG 2.98Å; C223-S236 WeakPolarHBondContact O-CA 3.27Å; S236-V243 WeakPolarHBondContact O-CA 3.5Å; S236-R244 PolarHBondContact N-O 2.95Å; S236-R244 PolarHBondContact O-N 2.73Å; S236-R244 PolarHBondContact OG-O 2.78Å; S236-W246 PolarHBondContact OG-NE1 3.37Å; S236-I501 VanDerWaalsContact CB-CD1 3.42Å; S236-I501 WeakPolarHBondContact OG-CD1 3.44Å
237	G	96.1	Very high	94	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	133.3	174	0	0	0	0	0	110.7	N222 C223 I267	N222-G237 PolarHBondContact N-O 3.42Å; C223-G237 PolarHBondContact N-O 2.91Å; C223-G237 PolarHBondContact O-N 3.36Å; G237-I267 VanDerWaalsContact N-CD1 3.29Å
238	A	95.9	Very high	93.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	171.7	176.3	0	0	0	0	0	112	H217 G220 D240 E242 V264	H217-A238 HydrophobicContact CB-CB 4.24Å; G220-A238 CarbonylContact O-C 3.57Å; G220-A238 VanDerWaalsContact O-CA 3.25Å; G220-A238 WeakPolarHBondContact O-CA 3.11Å; A238-D240 VanDerWaalsContact C-N 3.26Å; A238-D240 WeakPolarHBondContact CB-OD1 3.29Å; A238-D240 PolarHBondContact O-N 2.88Å; A238-E242 PolarHBondContact N-O 2.98Å; A238-V264 WeakPolarHBondContact O-CG2 3.46Å; A238-V264 PolarHBondContact O-N 3.15Å
239	C	94.9	Very high	93.9	Very high	13 Å²	13	30.1 Å²	30.1	9%	0.088	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-18.9	178.1	-66.5	0	0	0	0	113.2	D219 G220 G241 F263	D219-C239 HydrophobicContact CB-CB 4.17Å; D219-C239 WeakPolarHBondContact OD2-CB 3.35Å; G220-C239 PolarHBondContact O-N 3.28Å; G220-C239 PolarHBondContact O-SG 3.24Å; C239-G241 VanDerWaalsContact C-N 3.26Å; C239-G241 PolarHBondContact O-N 3.31Å; C239-F263 HydrophobicContact CB-CD1 3.88Å; C239-F263 HydrophobicContact CB-CD2 4.2Å; C239-F263 HydrophobicContact CB-CE1 3.85Å; C239-F263 HydrophobicContact CB-CE2 4.19Å; C239-F263 HydrophobicContact CB-CG 4.05Å; C239-F263 HydrophobicContact CB-CZ 4.01Å; C239-F263 WeakPolarHBondContact O-CA 3.35Å; C239-F263 WeakPolarHBondContact O-CD1 3.46Å; C239-F263 PolarHBondContact O-N 3.22Å
240	D	92.9	Very high	93.9	Very high	38 Å²	38	29.6 Å²	29.6	20%	0.203	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-2.3	176.5	55.3	16.3	0	0	0	114.6	R218 D219 A238 E242 Q258	R218-D240 WeakPolarHBondContact CB-OD2 3.12Å; R218-D240 PolarHBondContact N-OD2 2.84Å; D219-D240 HydrophobicContact CB-CB 3.92Å; D219-D240 PolarHBondContact N-OD2 2.87Å; D219-D240 VanDerWaalsContact N-OD2 3.12Å; A238-D240 VanDerWaalsContact C-N 3.26Å; A238-D240 WeakPolarHBondContact CB-OD1 3.29Å; A238-D240 PolarHBondContact O-N 2.88Å; D240-E242 VanDerWaalsContact C-N 3.32Å; D240-E242 VanDerWaalsContact OD1-CB 3.27Å; D240-E242 WeakPolarHBondContact OD1-CB 3.19Å; D240-E242 PolarHBondContact OD1-N 3.09Å; D240-Q258 PolarHBondContact O-NE2 3.28Å
241	G	93.4	Very high	93.9	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	86	-4.4	-174.8	0	0	0	0	0	114.6	C239 A259 H260 G262	C239-G241 VanDerWaalsContact C-N 3.26Å; C239-G241 PolarHBondContact O-N 3.31Å; G241-A259 PolarHBondContact O-N 2.88Å; G241-H260 WeakPolarHBondContact CA-O 3.38Å; G241-H260 PolarHBondContact O-N 2.85Å; G241-G262 VanDerWaalsContact CA-O 3.24Å; G241-G262 WeakPolarHBondContact CA-O 3.34Å; G241-G262 PolarHBondContact N-O 2.72Å
242	E	94.9	Very high	93.9	Very high	6 Å²	6	31 Å²	31	3%	0.028	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	134.2	174.7	-67.1	-171.6	-167.1	0	0	111.2	R218 A238 D240 R244 T256	R218-E242 VanDerWaalsContact CD-OE1 3.29Å; R218-E242 WeakPolarHBondContact CD-OE1 3.42Å; R218-E242 IonicContact CZ-OE1 3.27Å; R218-E242 VanDerWaalsContact CZ-OE1 3.27Å; R218-E242 IonicContact NE-OE1 3.39Å; R218-E242 PolarHBondContact NE-OE1 2.79Å; R218-E242 IonicContact NH1-OE1 2.78Å; R218-E242 PolarHBondContact NH1-OE1 3.2Å; A238-E242 PolarHBondContact N-O 2.98Å; D240-E242 VanDerWaalsContact C-N 3.32Å; D240-E242 VanDerWaalsContact OD1-CB 3.27Å; D240-E242 WeakPolarHBondContact OD1-CB 3.19Å; D240-E242 PolarHBondContact OD1-N 3.09Å; E242-R244 IonicContact OE2-CZ 3.72Å; E242-R244 VanDerWaalsContact OE2-CZ 3.24Å; E242-R244 IonicContact OE2-NE 3.36Å; E242-R244 PolarHBondContact OE2-NE 2.81Å; E242-R244 IonicContact OE2-NH2 2.6Å; E242-R244 PolarHBondContact OE2-NH2 3.28Å; E242-T256 HydrophobicContact CB-CG2 4.49Å; E242-T256 HydrophobicContact CG-CG2 4.41Å; E242-T256 WeakPolarHBondContact OE2-CG2 3.33Å
243	V	95.8	Very high	93.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.2	170.8	178.2	0	0	0	0	108.9	S236 I257 A259 V264 I267 F276 T278	S236-V243 WeakPolarHBondContact O-CA 3.5Å; V243-I257 PolarHBondContact N-O 2.98Å; V243-I257 PolarHBondContact O-N 2.96Å; V243-A259 HydrophobicContact CB-CB 4.27Å; V243-A259 HydrophobicContact CG2-CB 3.58Å; V243-V264 HydrophobicContact CG2-CG1 4.13Å; V243-V264 HydrophobicContact CG2-CG2 3.88Å; V243-I267 HydrophobicContact CG1-CD1 3.78Å; V243-I267 HydrophobicContact CG2-CD1 4.02Å; V243-F276 HydrophobicContact CG1-CE2 3.89Å; V243-F276 HydrophobicContact CG1-CZ 4.38Å; V243-T278 HydrophobicContact CG1-CG2 4.41Å; V243-T278 HydrophobicContact CG2-CG2 3.97Å
244	R	94.9	Very high	93.8	Very high	29 Å²	29	34.8 Å²	34.8	11%	0.109	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.1	-175.9	-66.6	-172.9	179	-146.2	5.9	112.3	G216 H217 L235 S236 E242 W246 R255 T256	G216-R244 VanDerWaalsContact C-CZ 3.45Å; G216-R244 PolarHBondContact O-NH1 2.95Å; G216-R244 PolarHBondContact O-NH2 3.49Å; H217-R244 WeakPolarHBondContact ND1-CD 3.39Å; L235-R244 WeakPolarHBondContact CA-O 3.37Å; S236-R244 PolarHBondContact N-O 2.95Å; S236-R244 PolarHBondContact O-N 2.73Å; S236-R244 PolarHBondContact OG-O 2.78Å; E242-R244 IonicContact OE2-CZ 3.72Å; E242-R244 VanDerWaalsContact OE2-CZ 3.24Å; E242-R244 IonicContact OE2-NE 3.36Å; E242-R244 PolarHBondContact OE2-NE 2.81Å; E242-R244 IonicContact OE2-NH2 2.6Å; E242-R244 PolarHBondContact OE2-NH2 3.28Å; R244-W246 HydrophobicContact CB-CZ2 4.07Å; R244-R255 WeakPolarHBondContact CA-O 3.43Å; R244-T256 HydrophobicContact CG-CG2 3.91Å; R244-T256 PolarHBondContact NE-OG1 2.87Å
245	I	94.9	Very high	93.5	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.026	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	120.1	177.1	-45.2	-163.5	0	0	0	108.4	T233 L235 I254 R255 I257 F276	T233-I245 HydrophobicContact CG2-CG2 3.79Å; L235-I245 HydrophobicContact CD2-CB 4.07Å; L235-I245 HydrophobicContact CD2-CD1 3.85Å; L235-I245 HydrophobicContact CD2-CG1 3.55Å; L235-I245 HydrophobicContact CD2-CG2 3.93Å; I245-I254 HydrophobicContact CG2-CD1 4.21Å; I245-I254 WeakPolarHBondContact O-CB 3.45Å; I245-I254 PolarHBondContact O-N 2.75Å; I245-R255 HydrophobicContact CB-CB 4.4Å; I245-R255 HydrophobicContact CD1-CB 4.46Å; I245-R255 VanDerWaalsContact CD1-NH2 3.33Å; I245-R255 HydrophobicContact CG1-CB 4.27Å; I245-R255 PolarHBondContact N-O 2.85Å; I245-R255 PolarHBondContact O-N 2.84Å; I245-I257 HydrophobicContact CD1-CD1 4.34Å; I245-F276 HydrophobicContact CD1-CE1 3.95Å; I245-F276 HydrophobicContact CD1-CZ 4.33Å
246	W	95	Very high	93.4	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.015	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	145	-175.2	-58.9	89.8	0	0	0	112	L214 D215 T233 V234 S236 R244 C253 I501	L214-W246 HydrophobicContact CB-CD2 4.21Å; L214-W246 HydrophobicContact CB-CE3 3.81Å; L214-W246 HydrophobicContact CB-CH2 4.18Å; L214-W246 HydrophobicContact CB-CZ3 3.8Å; L214-W246 HydrophobicContact CD1-CB 4.16Å; L214-W246 HydrophobicContact CD1-CD2 4.06Å; L214-W246 HydrophobicContact CD1-CE3 4.12Å; L214-W246 HydrophobicContact CD1-CG 4.07Å; L214-W246 HydrophobicContact CD2-CE3 4.27Å; L214-W246 HydrophobicContact CG-CE3 4.29Å; D215-W246 WeakPolarHBondContact O-CH2 3.49Å; T233-W246 WeakPolarHBondContact CA-O 3.32Å; V234-W246 PolarHBondContact N-O 2.92Å; V234-W246 VanDerWaalsContact N-O 3.15Å; V234-W246 PolarHBondContact O-N 2.92Å; S236-W246 PolarHBondContact OG-NE1 3.37Å; R244-W246 HydrophobicContact CB-CZ2 4.07Å; W246-C253 HydrophobicContact CE3-CB 3.98Å; W246-C253 HydrophobicContact CH2-CB 4.04Å; W246-C253 HydrophobicContact CZ3-CB 3.7Å; W246-I501 HydrophobicContact CZ2-CD1 4.21Å
247	N	93.9	Very high	93.2	Very high	24 Å²	24	39 Å²	39	13%	0.128	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	111.3	163.8	-176.9	-7.3	0	0	0	109.6	A232 T249 R251 N252 I254	A232-N247 CarbonylContact O-C 3.42Å; A232-N247 WeakPolarHBondContact O-CA 3.49Å; N247-T249 PolarHBondContact ND2-OG1 2.92Å; N247-T249 PolarHBondContact O-N 2.96Å; N247-T249 PolarHBondContact OD1-N 2.93Å; N247-T249 PolarHBondContact OD1-OG1 3.15Å; N247-R251 VanDerWaalsContact O-CA 3.27Å; N247-R251 WeakPolarHBondContact O-CA 3.37Å; N247-R251 PolarHBondContact O-N 3.28Å; N247-N252 WeakPolarHBondContact CB-OD1 3.43Å; N247-N252 PolarHBondContact N-O 3.03Å; N247-N252 VanDerWaalsContact N-O 3.11Å; N247-I254 HydrophobicContact CB-CD1 3.84Å; N247-I254 HydrophobicContact CB-CG1 3.89Å
248	L	91.8	Very high	93.1	Very high	29 Å²	29	44.1 Å²	44.1	15%	0.152	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-25.1	179.8	-62.3	-174.6	0	0	0	113.9	L214 A232 V234 R251 T486 M493 L503	L214-L248 HydrophobicContact CD1-CD2 4.16Å; A232-L248 WeakPolarHBondContact O-CG 3.43Å; A232-L248 PolarHBondContact O-N 2.88Å; V234-L248 HydrophobicContact CG2-CD1 3.77Å; V234-L248 HydrophobicContact CG2-CD2 4.1Å; V234-L248 HydrophobicContact CG2-CG 3.93Å; L248-R251 WeakPolarHBondContact O-CG 3.44Å; L248-T486 HydrophobicContact CD1-CG2 4.05Å; L248-M493 HydrophobicContact CD1-SD 4.08Å; L248-M493 HydrophobicContact CD2-CE 3.79Å; L248-M493 HydrophobicContact CD2-SD 3.84Å; L248-L503 HydrophobicContact CD2-CD1 4.05Å; L248-L503 HydrophobicContact CD2-CD2 4Å
249	T	90.8	Very high	92.9	Very high	103 Å²	103	44.2 Å²	44.2	63%	0.632	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-47	-177.8	62.6	0	0	0	0	111.8	A232 N247	A232-T249 HydrophobicContact CB-CG2 3.88Å; N247-T249 PolarHBondContact ND2-OG1 2.92Å; N247-T249 PolarHBondContact O-N 2.96Å; N247-T249 PolarHBondContact OD1-N 2.93Å; N247-T249 PolarHBondContact OD1-OG1 3.15Å
250	Q	90.1	Very high	92.8	Very high	129 Å²	129	43.8 Å²	43.8	60%	0.603	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-24.1	178.6	-70.8	175.1	-0.3	0	0	112.3	N252	Q250-N252 VanDerWaalsContact C-N 3.33Å; Q250-N252 WeakPolarHBondContact CB-OD1 3.49Å; Q250-N252 PolarHBondContact OE1-ND2 3.04Å; Q250-N252 PolarHBondContact OE1-OD1 2.8Å
251	R	90.9	Very high	92.7	Very high	145 Å²	145	51 Å²	51	55%	0.547	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	32.9	-177.4	-56.2	167.1	-68	176.7	1.4	113.6	L214 N247 L248	L214-R251 HydrophobicContact CD2-CB 3.72Å; L214-R251 HydrophobicContact CD2-CG 4.25Å; N247-R251 VanDerWaalsContact O-CA 3.27Å; N247-R251 WeakPolarHBondContact O-CA 3.37Å; N247-R251 PolarHBondContact O-N 3.28Å; L248-R251 WeakPolarHBondContact O-CG 3.44Å
252	N	91.6	Very high	92.6	Very high	64 Å²	64	52 Å²	52	34%	0.342	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	155.8	174.5	53.4	-5.3	0	0	0	111.1	N247 Q250	N247-N252 WeakPolarHBondContact CB-OD1 3.43Å; N247-N252 PolarHBondContact N-O 3.03Å; N247-N252 VanDerWaalsContact N-O 3.11Å; Q250-N252 VanDerWaalsContact C-N 3.33Å; Q250-N252 WeakPolarHBondContact CB-OD1 3.49Å; Q250-N252 PolarHBondContact OE1-ND2 3.04Å; Q250-N252 PolarHBondContact OE1-OD1 2.8Å
253	C	92.4	Very high	92.6	Very high	41 Å²	41	55.7 Å²	55.7	28%	0.277	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	130.1	161.2	-165	0	0	0	0	107.7	W246 R255	W246-C253 HydrophobicContact CE3-CB 3.98Å; W246-C253 HydrophobicContact CH2-CB 4.04Å; W246-C253 HydrophobicContact CZ3-CB 3.7Å; C253-R255 PolarHBondContact SG-O 3.32Å
254	I	91.3	Very high	92.6	Very high	92 Å²	92	55.7 Å²	55.7	47%	0.472	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-46.4	173.9	-44	176.8	0	0	0	109.5	I245 N247	I245-I254 HydrophobicContact CG2-CD1 4.21Å; I245-I254 WeakPolarHBondContact O-CB 3.45Å; I245-I254 PolarHBondContact O-N 2.75Å; N247-I254 HydrophobicContact CB-CD1 3.84Å; N247-I254 HydrophobicContact CB-CG1 3.89Å
255	R	89.8	Confident	92.5	Very high	35 Å²	35	58.6 Å²	58.6	13%	0.132	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	145.6	-176.5	-64	-161.2	-67.6	143	-6.7	111.3	R244 I245 C253 K289 M290 D291 E299	R244-R255 WeakPolarHBondContact CA-O 3.43Å; I245-R255 HydrophobicContact CB-CB 4.4Å; I245-R255 HydrophobicContact CD1-CB 4.46Å; I245-R255 VanDerWaalsContact CD1-NH2 3.33Å; I245-R255 HydrophobicContact CG1-CB 4.27Å; I245-R255 PolarHBondContact N-O 2.85Å; I245-R255 PolarHBondContact O-N 2.84Å; C253-R255 PolarHBondContact SG-O 3.32Å; R255-K289 PolarHBondContact NH2-O 2.91Å; R255-M290 PolarHBondContact NH2-O 3.31Å; R255-D291 VanDerWaalsContact CZ-O 3.27Å; R255-D291 PolarHBondContact NH1-O 2.57Å; R255-D291 PolarHBondContact NH2-O 3.44Å; R255-E299 IonicContact CZ-OE1 3.44Å; R255-E299 IonicContact NH1-OE1 3.47Å; R255-E299 PolarHBondContact NH1-OE1 3.08Å
256	T	93	Very high	92.5	Very high	59 Å²	59	58.6 Å²	58.6	36%	0.362	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	119.9	173.8	-59.2	0	0	0	0	107.6	E242 R244	E242-T256 HydrophobicContact CB-CG2 4.49Å; E242-T256 HydrophobicContact CG-CG2 4.41Å; E242-T256 WeakPolarHBondContact OE2-CG2 3.33Å; R244-T256 HydrophobicContact CG-CG2 3.91Å; R244-T256 PolarHBondContact NE-OG1 2.87Å
257	I	92.9	Very high	92.5	Very high	3 Å²	3	59 Å²	59	2%	0.015	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.9	-175.6	-63.5	154.7	0	0	0	107.6	V243 I245 A259 F276 W288 E299	V243-I257 PolarHBondContact N-O 2.98Å; V243-I257 PolarHBondContact O-N 2.96Å; I245-I257 HydrophobicContact CD1-CD1 4.34Å; I257-A259 HydrophobicContact CG2-CB 4.48Å; I257-A259 PolarHBondContact O-N 2.88Å; I257-F276 HydrophobicContact CD1-CE1 4.39Å; I257-F276 HydrophobicContact CD1-CZ 3.73Å; I257-W288 HydrophobicContact CG2-CD2 4.14Å; I257-W288 HydrophobicContact CG2-CE3 3.92Å; I257-W288 HydrophobicContact CG2-CH2 3.71Å; I257-W288 HydrophobicContact CG2-CZ2 3.94Å; I257-W288 HydrophobicContact CG2-CZ3 3.69Å; I257-E299 VanDerWaalsContact CG1-OE2 3.22Å; I257-E299 WeakPolarHBondContact CG1-OE2 3.45Å
258	Q	93.2	Very high	92.6	Very high	107 Å²	107	58.5 Å²	58.5	50%	0.5	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	94.1	168.6	-171.3	68.3	37.2	0	0	108.4	D240 H260	D240-Q258 PolarHBondContact O-NE2 3.28Å; Q258-H260 PolarHBondContact NE2-O 3.48Å
259	A	92.2	Very high	92.8	Very high	3 Å²	3	57.9 Å²	57.9	3%	0.025	29%	0.288	C	S	.	.			trans	-82.8	-38.2	-171.1	0	0	0	0	0	112.6	G241 V243 I257 T278 K286 W288	G241-A259 PolarHBondContact O-N 2.88Å; V243-A259 HydrophobicContact CB-CB 4.27Å; V243-A259 HydrophobicContact CG2-CB 3.58Å; I257-A259 HydrophobicContact CG2-CB 4.48Å; I257-A259 PolarHBondContact O-N 2.88Å; A259-T278 HydrophobicContact CB-CG2 4.4Å; A259-K286 WeakPolarHBondContact O-CD 3.42Å; A259-K286 WeakPolarHBondContact O-CE 3.37Å; A259-K286 PolarHBondContact O-NZ 3.33Å; A259-W288 HydrophobicContact CB-CZ2 4.05Å
260	H	93.9	Very high	92.9	Very high	4 Å²	4	55 Å²	55	2%	0.019	27%	0.265	C	S	.	.			trans	-139.3	163	-174	-61.2	-83.8	0	0	0	110.7	G241 Q258 G262 T278 G280 D282 T284	G241-H260 WeakPolarHBondContact CA-O 3.38Å; G241-H260 PolarHBondContact O-N 2.85Å; Q258-H260 PolarHBondContact NE2-O 3.48Å; H260-G262 VanDerWaalsContact C-N 3.3Å; H260-T278 WeakPolarHBondContact NE2-CB 3.4Å; H260-T278 PolarHBondContact NE2-OG1 2.96Å; H260-G280 PolarHBondContact CE1-N 3.09Å; H260-D282 IonicContact CE1-OD1 3.44Å; H260-D282 IonicContact CE1-OD2 3.01Å; H260-D282 IonicContact CG-OD1 3.66Å; H260-D282 IonicContact CG-OD2 3.1Å; H260-D282 IonicContact ND1-OD1 3.43Å; H260-D282 PolarHBondContact ND1-OD1 3.23Å; H260-D282 IonicContact ND1-OD2 3.35Å; H260-D282 PolarHBondContact ND1-OD2 3.47Å; H260-T284 PolarHBondContact CE1-O 2.35Å; H260-T284 PolarHBondContact CE1-OG1 3.2Å; H260-T284 VanDerWaalsContact CE1-OG1 3.24Å; H260-T284 PolarHBondContact ND1-OG1 3.25Å
261	E	90.6	Very high	92.9	Very high	189 Å²	189	51.9 Å²	51.9	88%	0.883	25%	0.25	S	C	*	.	S	Bend	trans	-82.9	-8.5	173.6	-64.7	-173.8	163	0	0	113.2
262	G	91	Very high	92.7	Very high	20 Å²	20	46.6 Å²	46.6	21%	0.206	24%	0.235	C	C	.	.	S	Bend	trans	-145.2	-162.2	-179.8	0	0	0	0	0	111.8	G241 H260 V264	G241-G262 VanDerWaalsContact CA-O 3.24Å; G241-G262 WeakPolarHBondContact CA-O 3.34Å; G241-G262 PolarHBondContact N-O 2.72Å; H260-G262 VanDerWaalsContact C-N 3.3Å; G262-V264 PolarHBondContact O-N 3.45Å
263	F	94.1	Very high	92.6	Very high	84 Å²	84	43.7 Å²	43.7	37%	0.368	22%	0.22	S	C	.	.			trans	-59.2	128.9	-164.4	-71.3	23.9	0	0	0	112.2	C239 R265 G280 D281	C239-F263 HydrophobicContact CB-CD1 3.88Å; C239-F263 HydrophobicContact CB-CD2 4.2Å; C239-F263 HydrophobicContact CB-CE1 3.85Å; C239-F263 HydrophobicContact CB-CE2 4.19Å; C239-F263 HydrophobicContact CB-CG 4.05Å; C239-F263 HydrophobicContact CB-CZ 4.01Å; C239-F263 WeakPolarHBondContact O-CA 3.35Å; C239-F263 WeakPolarHBondContact O-CD1 3.46Å; C239-F263 PolarHBondContact O-N 3.22Å; F263-R265 PolarHBondContact O-N 2.64Å; F263-G280 VanDerWaalsContact O-CA 3.28Å; F263-G280 WeakPolarHBondContact O-CA 3.3Å; F263-D281 PolarHBondContact O-N 3.21Å
264	V	95.8	Very high	92.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	97.8	169	-167.6	0	0	0	0	108.7	N222 C223 A238 V243 G262 I267 V279	N222-V264 PolarHBondContact ND2-O 2.91Å; C223-V264 PolarHBondContact SG-O 3.21Å; C223-V264 VanDerWaalsContact SG-O 3.34Å; A238-V264 WeakPolarHBondContact O-CG2 3.46Å; A238-V264 PolarHBondContact O-N 3.15Å; V243-V264 HydrophobicContact CG2-CG1 4.13Å; V243-V264 HydrophobicContact CG2-CG2 3.88Å; G262-V264 PolarHBondContact O-N 3.45Å; V264-I267 HydrophobicContact CG1-CD1 4.07Å; V264-I267 HydrophobicContact CG1-CG1 3.72Å; V264-V279 CarbonylContact C-O 3.57Å
265	R	93.9	Very high	92.6	Very high	90 Å²	90	41.3 Å²	41.3	34%	0.34	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	-38.8	-177.3	-68.4	-65.5	178.8	-171.9	-9.3	112.5	N222 F263 V279 D281	N222-R265 PolarHBondContact ND2-O 3.34Å; F263-R265 PolarHBondContact O-N 2.64Å; R265-V279 HydrophobicContact CB-CG1 4.39Å; R265-V279 PolarHBondContact N-O 3.13Å; R265-D281 WeakPolarHBondContact CG-OD1 3.45Å; R265-D281 IonicContact CZ-OD1 2.63Å; R265-D281 IonicContact CZ-OD2 2.67Å; R265-D281 IonicContact NE-OD1 3.69Å; R265-D281 PolarHBondContact NE-OD1 2.91Å; R265-D281 IonicContact NE-OD2 3.54Å; R265-D281 PolarHBondContact NE-OD2 2.93Å; R265-D281 IonicContact NH2-OD1 3.75Å; R265-D281 PolarHBondContact NH2-OD1 3.49Å; R265-D281 IonicContact NH2-OD2 3.74Å; R265-D281 PolarHBondContact NH2-OD2 3.45Å
266	G	93.9	Very high	92.9	Very high	6 Å²	6	39.6 Å²	39.6	6%	0.062	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	148.7	179.8	0	0	0	0	0	113.3	V279	G266-V279 PolarHBondContact N-O 3.45Å; G266-V279 PolarHBondContact O-N 2.93Å
267	I	96.2	Very high	93	Very high	13 Å²	13	37 Å²	37	7%	0.067	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	137.9	169.6	-62.6	176	0	0	0	107.5	A225 L235 G237 V243 V264 F276 F277 T278	A225-I267 HydrophobicContact CB-CB 4.23Å; A225-I267 HydrophobicContact CB-CG2 3.77Å; L235-I267 HydrophobicContact CB-CG2 4.03Å; L235-I267 HydrophobicContact CD1-CG2 3.69Å; G237-I267 VanDerWaalsContact N-CD1 3.29Å; V243-I267 HydrophobicContact CG1-CD1 3.78Å; V243-I267 HydrophobicContact CG2-CD1 4.02Å; V264-I267 HydrophobicContact CG1-CD1 4.07Å; V264-I267 HydrophobicContact CG1-CG1 3.72Å; I267-F276 HydrophobicContact CG2-CD2 4.38Å; I267-F277 WeakPolarHBondContact CA-O 3.47Å; I267-T278 HydrophobicContact CG1-CG2 4.21Å
268	C	95.2	Very high	93.1	Very high	13 Å²	13	36.9 Å²	36.9	9%	0.088	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	148.3	166.4	-161.5	0	0	0	0	111.1	F276 F277 I314 H316	C268-F276 CarbonylContact O-C 3.47Å; C268-F276 WeakPolarHBondContact O-CA 3.2Å; C268-F276 WeakPolarHBondContact O-CB 3.03Å; C268-F277 PolarHBondContact N-O 2.86Å; C268-F277 PolarHBondContact O-N 3.37Å; C268-I314 HydrophobicContact CB-CG2 4.15Å; C268-H316 HydrophobicContact CB-CB 4.46Å; C268-H316 VanDerWaalsContact SG-CB 3.58Å; C268-H316 PolarHBondContact SG-N 3.19Å
269	T	95.1	Very high	93.2	Very high	16 Å²	16	31.8 Å²	31.8	10%	0.098	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	137.5	176.9	55	0	0	0	0	110.2	A225 K226 P228 L235 F276 M290	A225-T269 HydrophobicContact CB-CG2 4.26Å; K226-T269 PolarHBondContact O-OG1 3.42Å; P228-T269 WeakPolarHBondContact CD-OG1 3.37Å; L235-T269 HydrophobicContact CD1-CG2 3.68Å; L235-T269 HydrophobicContact CG-CG2 4.41Å; T269-F276 HydrophobicContact CG2-CB 4.49Å; T269-M290 HydrophobicContact CG2-CE 3.43Å; T269-M290 VanDerWaalsContact CG2-CE 3.43Å
270	R	94.1	Very high	93.3	Very high	41 Å²	41	31.7 Å²	31.7	16%	0.155	16%	0.16	C	C	.	.			trans	-58.2	145.8	169.4	-178.6	178.3	166.9	71.1	-9.9	110.5	P228 C272 G273 S275 F277 A321 E335	P228-R270 WeakPolarHBondContact CG-O 3.46Å; R270-C272 VanDerWaalsContact C-N 3.27Å; R270-C272 PolarHBondContact NE-SG 3.21Å; R270-C272 PolarHBondContact O-N 2.9Å; R270-C272 VanDerWaalsContact O-N 3.16Å; R270-G273 PolarHBondContact O-N 2.93Å; R270-S275 VanDerWaalsContact CB-O 3.29Å; R270-S275 WeakPolarHBondContact CB-O 3.29Å; R270-S275 VanDerWaalsContact CD-OG 3.23Å; R270-S275 WeakPolarHBondContact CD-OG 3.39Å; R270-S275 PolarHBondContact N-O 3.4Å; R270-F277 HydrophobicContact CB-CE2 4.44Å; R270-A321 VanDerWaalsContact NH1-CB 3.31Å; R270-E335 VanDerWaalsContact CD-OE1 3.23Å; R270-E335 WeakPolarHBondContact CD-OE1 3.44Å; R270-E335 WeakPolarHBondContact CG-OE1 3.41Å; R270-E335 IonicContact CZ-OE1 2.87Å; R270-E335 IonicContact CZ-OE2 2.92Å; R270-E335 IonicContact NE-OE1 3.3Å; R270-E335 IonicContact NE-OE2 3.2Å; R270-E335 IonicContact NH1-OE1 2.72Å; R270-E335 PolarHBondContact NH1-OE1 2.76Å; R270-E335 IonicContact NH1-OE2 3.95Å; R270-E335 PolarHBondContact NH1-OE2 2.96Å; R270-E335 IonicContact NH2-OE2 3.88Å
271	F	88.8	Confident	93.2	Very high	65 Å²	65	34 Å²	34	29%	0.285	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-36.9	-176.1	67.4	-88.8	0	0	0	114.6	P228 G273 H316 E320	P228-F271 WeakPolarHBondContact CG-O 3.02Å; F271-G273 VanDerWaalsContact C-N 3.34Å; F271-H316 AromaticContact CD1-CE1 3.65Å; F271-E320 WeakPolarHBondContact CD1-O 3.43Å; F271-E320 VanDerWaalsContact CE1-C 3.4Å; F271-E320 WeakPolarHBondContact CE1-O 3.39Å
272	C	88.1	Confident	93.2	Very high	34 Å²	34	27.1 Å²	27.1	23%	0.23	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	5.7	177.1	69.6	0	0	0	0	114.1	R270 T274	R270-C272 VanDerWaalsContact C-N 3.27Å; R270-C272 PolarHBondContact NE-SG 3.21Å; R270-C272 PolarHBondContact O-N 2.9Å; R270-C272 VanDerWaalsContact O-N 3.16Å; C272-T274 PolarHBondContact O-N 3.27Å; C272-T274 PolarHBondContact SG-OG1 3.48Å
273	G	88	Confident	93.3	Very high	3 Å²	3	30.5 Å²	30.5	3%	0.031	15%	0.151	C	C	.	.	S	Bend	trans	64.5	14.6	172.6	0	0	0	0	0	117.1	H227 R270 F271 M290	H227-G273 PolarHBondContact NE2-O 3.4Å; R270-G273 PolarHBondContact O-N 2.93Å; F271-G273 VanDerWaalsContact C-N 3.34Å; G273-M290 WeakPolarHBondContact O-CB 3.39Å; G273-M290 VanDerWaalsContact O-CG 3.3Å; G273-M290 WeakPolarHBondContact O-CG 3.36Å
274	T	91.4	Very high	93.3	Very high	76 Å²	76	27 Å²	27	47%	0.466	14%	0.136	S	C	.	.	S	Bend	trans	-84.9	-25.6	177.6	55.4	0	0	0	0	113.1	C272 M290	C272-T274 PolarHBondContact O-N 3.27Å; C272-T274 PolarHBondContact SG-OG1 3.48Å; T274-M290 WeakPolarHBondContact O-CB 3.37Å; T274-M290 PolarHBondContact O-N 2.98Å
275	S	93.3	Very high	93.3	Very high	6 Å²	6	27 Å²	27	4%	0.042	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	166.7	179.3	57.1	0	0	0	0	111.8	R270 Q287 W288	R270-S275 VanDerWaalsContact CB-O 3.29Å; R270-S275 WeakPolarHBondContact CB-O 3.29Å; R270-S275 VanDerWaalsContact CD-OG 3.23Å; R270-S275 WeakPolarHBondContact CD-OG 3.39Å; R270-S275 PolarHBondContact N-O 3.4Å; S275-Q287 PolarHBondContact OG-NE2 3.29Å; S275-W288 CarbonylContact C-O 3.59Å; S275-W288 WeakPolarHBondContact CA-O 3.42Å; S275-W288 WeakPolarHBondContact CB-O 3.45Å
276	F	95.4	Very high	93.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	159	172.1	65.5	-84.8	0	0	0	110.6	L235 V243 I245 I257 I267 C268 T269 T278 Q287 W288 M290	L235-F276 HydrophobicContact CD1-CB 3.49Å; L235-F276 VanDerWaalsContact CD1-CB 3.49Å; L235-F276 HydrophobicContact CD1-CD1 4.05Å; L235-F276 HydrophobicContact CD1-CD2 3.74Å; L235-F276 HydrophobicContact CD1-CE2 4.44Å; L235-F276 HydrophobicContact CD1-CG 3.5Å; V243-F276 HydrophobicContact CG1-CE2 3.89Å; V243-F276 HydrophobicContact CG1-CZ 4.38Å; I245-F276 HydrophobicContact CD1-CE1 3.95Å; I245-F276 HydrophobicContact CD1-CZ 4.33Å; I257-F276 HydrophobicContact CD1-CE1 4.39Å; I257-F276 HydrophobicContact CD1-CZ 3.73Å; I267-F276 HydrophobicContact CG2-CD2 4.38Å; C268-F276 CarbonylContact O-C 3.47Å; C268-F276 WeakPolarHBondContact O-CA 3.2Å; C268-F276 WeakPolarHBondContact O-CB 3.03Å; T269-F276 HydrophobicContact CG2-CB 4.49Å; F276-T278 HydrophobicContact CD2-CG2 3.72Å; F276-T278 HydrophobicContact CE2-CG2 3.55Å; F276-Q287 WeakPolarHBondContact O-CA 3.23Å; F276-W288 HydrophobicContact CD1-CB 3.9Å; F276-W288 HydrophobicContact CD2-CB 4.12Å; F276-W288 HydrophobicContact CD2-CG 4.47Å; F276-W288 HydrophobicContact CE1-CB 3.44Å; F276-W288 VanDerWaalsContact CE1-CB 3.44Å; F276-W288 HydrophobicContact CE1-CG 4.38Å; F276-W288 HydrophobicContact CE2-CB 3.67Å; F276-W288 AromaticContact CE2-CD1 3.66Å; F276-W288 AromaticContact CE2-CG 3.81Å; F276-W288 HydrophobicContact CE2-CG 3.81Å; F276-W288 HydrophobicContact CG-CB 4.23Å; F276-W288 HydrophobicContact CZ-CB 3.32Å; F276-W288 AromaticContact CZ-CG 3.78Å; F276-W288 HydrophobicContact CZ-CG 3.78Å; F276-W288 PolarHBondContact N-O 2.67Å; F276-W288 PolarHBondContact O-N 2.92Å; F276-M290 HydrophobicContact CB-CE 4.06Å; F276-M290 HydrophobicContact CB-SD 4.37Å; F276-M290 HydrophobicContact CD1-CE 4.36Å; F276-M290 HydrophobicContact CD1-CG 4.01Å; F276-M290 HydrophobicContact CD1-SD 3.57Å; F276-M290 VanDerWaalsContact CD1-SD 3.57Å; F276-M290 HydrophobicContact CE1-SD 4.26Å; F276-M290 HydrophobicContact CG-SD 4.34Å
277	F	95.4	Very high	93.3	Very high	5 Å²	5	25.2 Å²	25.2	2%	0.022	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.3	179	-63.5	-89.6	0	0	0	109.6	I267 C268 R270 V285 K286 Q287 I314 H316 F323 E335	I267-F277 WeakPolarHBondContact CA-O 3.47Å; C268-F277 PolarHBondContact N-O 2.86Å; C268-F277 PolarHBondContact O-N 3.37Å; R270-F277 HydrophobicContact CB-CE2 4.44Å; F277-V285 HydrophobicContact CD1-CG1 4.29Å; F277-K286 CarbonylContact C-O 3.5Å; F277-K286 WeakPolarHBondContact CA-O 3.34Å; F277-Q287 HydrophobicContact CD1-CB 3.84Å; F277-Q287 HydrophobicContact CD1-CG 3.96Å; F277-Q287 HydrophobicContact CE1-CB 3.58Å; F277-Q287 HydrophobicContact CE1-CG 3.44Å; F277-Q287 VanDerWaalsContact CE1-CG 3.44Å; F277-Q287 HydrophobicContact CE2-CG 4.38Å; F277-Q287 HydrophobicContact CZ-CB 4.33Å; F277-Q287 VanDerWaalsContact CZ-CD 3.47Å; F277-Q287 HydrophobicContact CZ-CG 3.67Å; F277-I314 HydrophobicContact CB-CD1 3.57Å; F277-I314 HydrophobicContact CG-CD1 4.31Å; F277-H316 AromaticContact CD2-CD2 3.91Å; F277-H316 AromaticContact CE2-CD2 3.63Å; F277-H316 AromaticContact CE2-NE2 3.83Å; F277-F323 HydrophobicContact CD1-CE1 4.47Å; F277-F323 HydrophobicContact CE1-CD1 4.34Å; F277-F323 AromaticContact CE1-CE1 3.98Å; F277-F323 HydrophobicContact CE1-CE1 3.98Å; F277-F323 HydrophobicContact CE1-CZ 4.36Å; F277-F323 HydrophobicContact CZ-CD1 4.28Å; F277-F323 HydrophobicContact CZ-CE1 4.27Å; F277-E335 HydrophobicContact CE2-CG 4.37Å; F277-E335 WeakPolarHBondContact CE2-OE1 3.17Å; F277-E335 HydrophobicContact CZ-CG 3.68Å; F277-E335 VanDerWaalsContact CZ-OE1 3.31Å; F277-E335 WeakPolarHBondContact CZ-OE1 3.48Å
278	T	95.8	Very high	93.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	146.6	174.4	65.7	0	0	0	0	109.4	V243 A259 H260 I267 F276 V285 K286 W288	V243-T278 HydrophobicContact CG1-CG2 4.41Å; V243-T278 HydrophobicContact CG2-CG2 3.97Å; A259-T278 HydrophobicContact CB-CG2 4.4Å; H260-T278 WeakPolarHBondContact NE2-CB 3.4Å; H260-T278 PolarHBondContact NE2-OG1 2.96Å; I267-T278 HydrophobicContact CG1-CG2 4.21Å; F276-T278 HydrophobicContact CD2-CG2 3.72Å; F276-T278 HydrophobicContact CE2-CG2 3.55Å; T278-V285 WeakPolarHBondContact O-CA 3.36Å; T278-K286 PolarHBondContact N-O 2.82Å; T278-K286 PolarHBondContact O-N 2.81Å; T278-W288 PolarHBondContact OG1-NE1 2.96Å; T278-W288 VanDerWaalsContact OG1-NE1 3.08Å
279	V	95.6	Very high	93.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	129.7	-179.5	168	0	0	0	0	109	V264 R265 G266 V285 Y311 I314	V264-V279 CarbonylContact C-O 3.57Å; R265-V279 HydrophobicContact CB-CG1 4.39Å; R265-V279 PolarHBondContact N-O 3.13Å; G266-V279 PolarHBondContact N-O 3.45Å; G266-V279 PolarHBondContact O-N 2.93Å; V279-V285 HydrophobicContact CG2-CB 4.43Å; V279-V285 HydrophobicContact CG2-CG1 4.04Å; V279-V285 HydrophobicContact CG2-CG2 4.11Å; V279-Y311 HydrophobicContact CG1-CG 4.46Å; V279-Y311 WeakPolarHBondContact CG1-O 3.2Å; V279-I314 HydrophobicContact CB-CG2 4.36Å; V279-I314 HydrophobicContact CG2-CB 3.77Å; V279-I314 HydrophobicContact CG2-CD1 3.76Å; V279-I314 HydrophobicContact CG2-CG1 4.36Å; V279-I314 HydrophobicContact CG2-CG2 3.87Å
280	G	93.4	Very high	92.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	170.5	-176.5	0	0	0	0	0	115.1	H260 F263 D282 K283 T284	H260-G280 PolarHBondContact CE1-N 3.09Å; F263-G280 VanDerWaalsContact O-CA 3.28Å; F263-G280 WeakPolarHBondContact O-CA 3.3Å; G280-D282 PolarHBondContact O-N 2.88Å; G280-K283 PolarHBondContact O-N 3.01Å; G280-T284 PolarHBondContact N-O 3.42Å
281	D	91.5	Very high	92.3	Very high	53 Å²	53	31.7 Å²	31.7	28%	0.283	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-14.9	174.2	-78.9	-7.5	0	0	0	113.4	F263 R265 K283	F263-D281 PolarHBondContact O-N 3.21Å; R265-D281 WeakPolarHBondContact CG-OD1 3.45Å; R265-D281 IonicContact CZ-OD1 2.63Å; R265-D281 IonicContact CZ-OD2 2.67Å; R265-D281 IonicContact NE-OD1 3.69Å; R265-D281 PolarHBondContact NE-OD1 2.91Å; R265-D281 IonicContact NE-OD2 3.54Å; R265-D281 PolarHBondContact NE-OD2 2.93Å; R265-D281 IonicContact NH2-OD1 3.75Å; R265-D281 PolarHBondContact NH2-OD1 3.49Å; R265-D281 IonicContact NH2-OD2 3.74Å; R265-D281 PolarHBondContact NH2-OD2 3.45Å; D281-K283 PolarHBondContact O-N 2.09Å; D281-K283 VanDerWaalsContact O-N 3.08Å
282	D	91.7	Very high	91.7	Very high	44 Å²	44	30.5 Å²	30.5	24%	0.235	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	4.8	171	69.4	3	0	0	0	113.8	H260 G280 T284 K286	H260-D282 IonicContact CE1-OD1 3.44Å; H260-D282 IonicContact CE1-OD2 3.01Å; H260-D282 IonicContact CG-OD1 3.66Å; H260-D282 IonicContact CG-OD2 3.1Å; H260-D282 IonicContact ND1-OD1 3.43Å; H260-D282 PolarHBondContact ND1-OD1 3.23Å; H260-D282 IonicContact ND1-OD2 3.35Å; H260-D282 PolarHBondContact ND1-OD2 3.47Å; G280-D282 PolarHBondContact O-N 2.88Å; D282-T284 HydrophobicContact CB-CG2 4.38Å; D282-T284 WeakPolarHBondContact O-CG2 3.33Å; D282-T284 PolarHBondContact O-N 3.47Å; D282-T284 WeakPolarHBondContact OD1-CB 3.35Å; D282-T284 PolarHBondContact OD1-N 3.2Å; D282-T284 PolarHBondContact OD1-OG1 2.97Å; D282-T284 PolarHBondContact OD2-OG1 2.75Å; D282-T284 VanDerWaalsContact OD2-OG1 3.07Å; D282-K286 IonicContact OD2-NZ 2.71Å; D282-K286 PolarHBondContact OD2-NZ 3.45Å
283	K	92.4	Very high	91.1	Very high	92 Å²	92	31.6 Å²	31.6	40%	0.4	17%	0.173	S	C	.	.	S	Bend	trans	63.8	12	-177	-49.1	177.1	-177.1	178.4	0	114	G280 D281 G307 V310	G280-K283 PolarHBondContact O-N 3.01Å; D281-K283 PolarHBondContact O-N 2.09Å; D281-K283 VanDerWaalsContact O-N 3.08Å; K283-G307 WeakPolarHBondContact O-CA 3.05Å; K283-G307 PolarHBondContact O-N 3.46Å; K283-V310 HydrophobicContact CG-CG2 3.82Å
284	T	94.1	Very high	90.3	Very high	10 Å²	10	33.3 Å²	33.3	6%	0.061	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	145.7	-179.1	75.5	0	0	0	0	111.9	H260 G280 D282 K286 T304 I305 L306	H260-T284 PolarHBondContact CE1-O 2.35Å; H260-T284 PolarHBondContact CE1-OG1 3.2Å; H260-T284 VanDerWaalsContact CE1-OG1 3.24Å; H260-T284 PolarHBondContact ND1-OG1 3.25Å; G280-T284 PolarHBondContact N-O 3.42Å; D282-T284 HydrophobicContact CB-CG2 4.38Å; D282-T284 WeakPolarHBondContact O-CG2 3.33Å; D282-T284 PolarHBondContact O-N 3.47Å; D282-T284 WeakPolarHBondContact OD1-CB 3.35Å; D282-T284 PolarHBondContact OD1-N 3.2Å; D282-T284 PolarHBondContact OD1-OG1 2.97Å; D282-T284 PolarHBondContact OD2-OG1 2.75Å; D282-T284 VanDerWaalsContact OD2-OG1 3.07Å; T284-K286 VanDerWaalsContact OG1-CE 3.26Å; T284-K286 WeakPolarHBondContact OG1-CE 3.49Å; T284-T304 HydrophobicContact CG2-CG2 4.42Å; T284-I305 WeakPolarHBondContact CA-O 3.24Å; T284-L306 HydrophobicContact CG2-CD2 3.82Å
285	V	95.3	Very high	89.4	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	118.4	161.2	-170.7	0	0	0	0	106.7	F277 T278 V279 T304 I305 Y311 I314 F323 T325	F277-V285 HydrophobicContact CD1-CG1 4.29Å; T278-V285 WeakPolarHBondContact O-CA 3.36Å; V279-V285 HydrophobicContact CG2-CB 4.43Å; V279-V285 HydrophobicContact CG2-CG1 4.04Å; V279-V285 HydrophobicContact CG2-CG2 4.11Å; V285-T304 WeakPolarHBondContact O-CA 3.4Å; V285-I305 HydrophobicContact CB-CB 4.21Å; V285-I305 PolarHBondContact N-O 3.04Å; V285-I305 PolarHBondContact O-N 2.92Å; V285-Y311 HydrophobicContact CG2-CD2 3.75Å; V285-Y311 HydrophobicContact CG2-CE2 3.73Å; V285-I314 HydrophobicContact CG1-CD1 3.92Å; V285-F323 HydrophobicContact CG1-CE2 4.16Å; V285-T325 HydrophobicContact CG2-CG2 4.03Å
286	K	94.8	Very high	88.2	Confident	35 Å²	35	44.8 Å²	44.8	15%	0.152	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	130.2	-179	-72	167.3	178.1	157.2	0	110.2	A259 F277 T278 D282 T284 W288 P301 T304	A259-K286 WeakPolarHBondContact O-CD 3.42Å; A259-K286 WeakPolarHBondContact O-CE 3.37Å; A259-K286 PolarHBondContact O-NZ 3.33Å; F277-K286 CarbonylContact C-O 3.5Å; F277-K286 WeakPolarHBondContact CA-O 3.34Å; T278-K286 PolarHBondContact N-O 2.82Å; T278-K286 PolarHBondContact O-N 2.81Å; D282-K286 IonicContact OD2-NZ 2.71Å; D282-K286 PolarHBondContact OD2-NZ 3.45Å; T284-K286 VanDerWaalsContact OG1-CE 3.26Å; T284-K286 WeakPolarHBondContact OG1-CE 3.49Å; K286-W288 HydrophobicContact CB-CZ2 4.26Å; K286-W288 HydrophobicContact CD-CZ2 4.11Å; K286-P301 HydrophobicContact CB-CB 4.22Å; K286-P301 HydrophobicContact CG-CB 4.4Å; K286-T304 HydrophobicContact CG-CG2 3.96Å
287	Q	94.4	Very high	87.2	Confident	22 Å²	22	50 Å²	50	10%	0.103	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	129.8	174.5	-169.5	-179.7	20.1	0	0	109.9	S275 F276 F277 P301 L302 H303	S275-Q287 PolarHBondContact OG-NE2 3.29Å; F276-Q287 WeakPolarHBondContact O-CA 3.23Å; F277-Q287 HydrophobicContact CD1-CB 3.84Å; F277-Q287 HydrophobicContact CD1-CG 3.96Å; F277-Q287 HydrophobicContact CE1-CB 3.58Å; F277-Q287 HydrophobicContact CE1-CG 3.44Å; F277-Q287 VanDerWaalsContact CE1-CG 3.44Å; F277-Q287 HydrophobicContact CE2-CG 4.38Å; F277-Q287 HydrophobicContact CZ-CB 4.33Å; F277-Q287 VanDerWaalsContact CZ-CD 3.47Å; F277-Q287 HydrophobicContact CZ-CG 3.67Å; Q287-P301 CarbonylContact O-C 3.57Å; Q287-P301 WeakPolarHBondContact O-CA 3.31Å; Q287-L302 HydrophobicContact CB-CB 4.49Å; Q287-L302 PolarHBondContact O-N 3.03Å; Q287-H303 HydrophobicContact CB-CB 4.14Å; Q287-H303 PolarHBondContact N-O 2.85Å
288	W	93.8	Very high	86.3	Confident	12 Å²	12	58 Å²	58	5%	0.045	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.5	-176	-61.2	94.7	0	0	0	110.9	I257 A259 S275 F276 T278 K286 E299 P301	I257-W288 HydrophobicContact CG2-CD2 4.14Å; I257-W288 HydrophobicContact CG2-CE3 3.92Å; I257-W288 HydrophobicContact CG2-CH2 3.71Å; I257-W288 HydrophobicContact CG2-CZ2 3.94Å; I257-W288 HydrophobicContact CG2-CZ3 3.69Å; A259-W288 HydrophobicContact CB-CZ2 4.05Å; S275-W288 CarbonylContact C-O 3.59Å; S275-W288 WeakPolarHBondContact CA-O 3.42Å; S275-W288 WeakPolarHBondContact CB-O 3.45Å; F276-W288 HydrophobicContact CD1-CB 3.9Å; F276-W288 HydrophobicContact CD2-CB 4.12Å; F276-W288 HydrophobicContact CD2-CG 4.47Å; F276-W288 HydrophobicContact CE1-CB 3.44Å; F276-W288 VanDerWaalsContact CE1-CB 3.44Å; F276-W288 HydrophobicContact CE1-CG 4.38Å; F276-W288 HydrophobicContact CE2-CB 3.67Å; F276-W288 AromaticContact CE2-CD1 3.66Å; F276-W288 AromaticContact CE2-CG 3.81Å; F276-W288 HydrophobicContact CE2-CG 3.81Å; F276-W288 HydrophobicContact CG-CB 4.23Å; F276-W288 HydrophobicContact CZ-CB 3.32Å; F276-W288 AromaticContact CZ-CG 3.78Å; F276-W288 HydrophobicContact CZ-CG 3.78Å; F276-W288 PolarHBondContact N-O 2.67Å; F276-W288 PolarHBondContact O-N 2.92Å; T278-W288 PolarHBondContact OG1-NE1 2.96Å; T278-W288 VanDerWaalsContact OG1-NE1 3.08Å; K286-W288 HydrophobicContact CB-CZ2 4.26Å; K286-W288 HydrophobicContact CD-CZ2 4.11Å; W288-E299 WeakPolarHBondContact CZ3-O 3.35Å; W288-P301 HydrophobicContact CD2-CB 4.27Å; W288-P301 HydrophobicContact CE3-CB 4.25Å; W288-P301 HydrophobicContact CH2-CB 4.01Å; W288-P301 HydrophobicContact CH2-CG 4.26Å; W288-P301 HydrophobicContact CZ2-CB 4.01Å; W288-P301 HydrophobicContact CZ2-CG 4.5Å; W288-P301 HydrophobicContact CZ3-CB 4.13Å
289	K	92	Very high	85.5	Confident	109 Å²	109	61.4 Å²	61.4	47%	0.474	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	140.6	172.5	-162.2	-179.3	178.1	-172.7	0	110.4	R255 D291 L302	R255-K289 PolarHBondContact NH2-O 2.91Å; K289-D291 HydrophobicContact CD-CB 4.44Å; K289-L302 HydrophobicContact CB-CD1 4.08Å; K289-L302 HydrophobicContact CB-CG 4.49Å
290	M	88.6	Confident	84.9	Confident	16 Å²	16	68.9 Å²	68.9	8%	0.079	37%	0.365	C	S	.	.	S	Bend	trans	-74.7	-29.5	178.5	-79.3	-76.5	-147.1	0	0	113.7	L235 R255 T269 G273 T274 F276	L235-M290 HydrophobicContact CD1-CE 3.95Å; L235-M290 HydrophobicContact CD1-SD 4.32Å; L235-M290 HydrophobicContact CD2-SD 4.2Å; L235-M290 HydrophobicContact CG-CE 4.45Å; R255-M290 PolarHBondContact NH2-O 3.31Å; T269-M290 HydrophobicContact CG2-CE 3.43Å; T269-M290 VanDerWaalsContact CG2-CE 3.43Å; G273-M290 WeakPolarHBondContact O-CB 3.39Å; G273-M290 VanDerWaalsContact O-CG 3.3Å; G273-M290 WeakPolarHBondContact O-CG 3.36Å; T274-M290 WeakPolarHBondContact O-CB 3.37Å; T274-M290 PolarHBondContact O-N 2.98Å; F276-M290 HydrophobicContact CB-CE 4.06Å; F276-M290 HydrophobicContact CB-SD 4.37Å; F276-M290 HydrophobicContact CD1-CE 4.36Å; F276-M290 HydrophobicContact CD1-CG 4.01Å; F276-M290 HydrophobicContact CD1-SD 3.57Å; F276-M290 VanDerWaalsContact CD1-SD 3.57Å; F276-M290 HydrophobicContact CE1-SD 4.26Å; F276-M290 HydrophobicContact CG-SD 4.34Å
291	D	84.6	Confident	84.8	Confident	83 Å²	83	71 Å²	71	44%	0.444	38%	0.378	S	S	.	.	S	Bend	trans	-77.8	153.9	170.5	-50.5	-48.4	0	0	0	110.4	R255 K289	R255-D291 VanDerWaalsContact CZ-O 3.27Å; R255-D291 PolarHBondContact NH1-O 2.57Å; R255-D291 PolarHBondContact NH2-O 3.44Å; K289-D291 HydrophobicContact CD-CB 4.44Å
292	G	75.6	Confident	84.6	Confident	39 Å²	39	73.6 Å²	73.6	40%	0.402	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-64.6	161.7	175.8	0	0	0	0	0	113.3
293	P	76.8	Confident	84.5	Confident	58 Å²	58	74.2 Å²	74.2	38%	0.377	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-56.8	161.6	164	29	-37.5	0	0	0	110.6	D297 E299	P293-D297 HydrophobicContact CB-CB 4.04Å; P293-E299 HydrophobicContact CB-CG 4.26Å; P293-E299 VanDerWaalsContact CD-OE1 3.23Å; P293-E299 WeakPolarHBondContact CD-OE1 3.46Å; P293-E299 HydrophobicContact CG-CG 3.65Å
294	G	71	Confident	84.6	Confident	38 Å²	38	72.3 Å²	72.3	39%	0.392	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-62.6	162	164.8	0	0	0	0	0	110.5	G296 D297	G294-G296 PolarHBondContact O-N 3.11Å; G294-D297 WeakPolarHBondContact CA-OD2 3.31Å; G294-D297 PolarHBondContact N-OD2 3.48Å; G294-D297 PolarHBondContact O-N 2.9Å
295	Y	71.3	Confident	84.5	Confident	249 Å²	249	72 Å²	72	98%	0.976	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	104.8	176.7	-178.9	-88.6	0	0	0	109.7
296	G	67.8	Low	84.3	Confident	74 Å²	74	78.5 Å²	78.5	76%	0.763	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.2	-5.2	-179.9	0	0	0	0	0	115.6	G294	G294-G296 PolarHBondContact O-N 3.11Å
297	D	76.4	Confident	83.9	Confident	111 Å²	111	77.5 Å²	77.5	59%	0.594	42%	0.421	S	S	*	.			trans	-85.4	142.4	174.8	-50.3	-43.1	0	0	0	110.7	P293 G294	P293-D297 HydrophobicContact CB-CB 4.04Å; G294-D297 WeakPolarHBondContact CA-OD2 3.31Å; G294-D297 PolarHBondContact N-OD2 3.48Å; G294-D297 PolarHBondContact O-N 2.9Å
298	E	75.2	Confident	83.6	Confident	173 Å²	173	86 Å²	86	81%	0.808	46%	0.457	S	S	*	.			trans	-75	149.2	171	-62.3	-163.2	168.8	0	0	111.2	E300	E298-E300 PolarHBondContact O-N 2.93Å
299	E	79	Confident	83.4	Confident	70 Å²	70	87.2 Å²	87.2	33%	0.327	47%	0.466	S	S	.	.			trans	-80.5	87.1	-179.6	-71	-166.6	129.9	0	0	111.2	R255 I257 W288 P293	R255-E299 IonicContact CZ-OE1 3.44Å; R255-E299 IonicContact NH1-OE1 3.47Å; R255-E299 PolarHBondContact NH1-OE1 3.08Å; I257-E299 VanDerWaalsContact CG1-OE2 3.22Å; I257-E299 WeakPolarHBondContact CG1-OE2 3.45Å; W288-E299 WeakPolarHBondContact CZ3-O 3.35Å; P293-E299 HydrophobicContact CB-CG 4.26Å; P293-E299 VanDerWaalsContact CD-OE1 3.23Å; P293-E299 WeakPolarHBondContact CD-OE1 3.46Å; P293-E299 HydrophobicContact CG-CG 3.65Å
300	E	84	Confident	83.3	Confident	157 Å²	157	84.6 Å²	84.6	73%	0.734	46%	0.459	S	S	*	.			trans	-90.1	146.4	172.1	-63.9	-171.1	158.8	0	0	112.8	E298	E298-E300 PolarHBondContact O-N 2.93Å
301	P	90	Very high	83.5	Confident	45 Å²	45	84.2 Å²	84.2	29%	0.292	46%	0.457	S	S	.	.			trans	-73.3	135.3	172	30	-33.3	0	0	0	111.2	K286 Q287 W288 H303 T304	K286-P301 HydrophobicContact CB-CB 4.22Å; K286-P301 HydrophobicContact CG-CB 4.4Å; Q287-P301 CarbonylContact O-C 3.57Å; Q287-P301 WeakPolarHBondContact O-CA 3.31Å; W288-P301 HydrophobicContact CD2-CB 4.27Å; W288-P301 HydrophobicContact CE3-CB 4.25Å; W288-P301 HydrophobicContact CH2-CB 4.01Å; W288-P301 HydrophobicContact CH2-CG 4.26Å; W288-P301 HydrophobicContact CZ2-CB 4.01Å; W288-P301 HydrophobicContact CZ2-CG 4.5Å; W288-P301 HydrophobicContact CZ3-CB 4.13Å; P301-H303 VanDerWaalsContact C-N 3.29Å; P301-H303 PolarHBondContact O-N 2.7Å; P301-T304 WeakPolarHBondContact CG-OG1 3.34Å
302	L	88.3	Confident	83.9	Confident	107 Å²	107	82.3 Å²	82.3	56%	0.56	45%	0.449	S	S	*	.	S	Bend	trans	-59.9	-38.4	177.6	-66.6	174.2	0	0	0	112.7	Q287 K289	Q287-L302 HydrophobicContact CB-CB 4.49Å; Q287-L302 PolarHBondContact O-N 3.03Å; K289-L302 HydrophobicContact CB-CD1 4.08Å; K289-L302 HydrophobicContact CB-CG 4.49Å
303	H	89.4	Confident	84.7	Confident	57 Å²	57	80.8 Å²	80.8	26%	0.264	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	141.1	176.7	-164.1	59.8	0	0	0	109.5	Q287 P301 I305	Q287-H303 HydrophobicContact CB-CB 4.14Å; Q287-H303 PolarHBondContact N-O 2.85Å; P301-H303 VanDerWaalsContact C-N 3.29Å; P301-H303 PolarHBondContact O-N 2.7Å; H303-I305 VanDerWaalsContact CD2-CG1 3.44Å; H303-I305 WeakPolarHBondContact CD2-CG1 3.34Å
304	T	93.5	Very high	85.6	Confident	52 Å²	52	78.2 Å²	78.2	32%	0.319	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	118.7	175.6	-60.9	0	0	0	0	108.9	T284 V285 K286 P301	T284-T304 HydrophobicContact CG2-CG2 4.42Å; V285-T304 WeakPolarHBondContact O-CA 3.4Å; K286-T304 HydrophobicContact CG-CG2 3.96Å; P301-T304 WeakPolarHBondContact CG-OG1 3.34Å
305	I	92.9	Very high	86.8	Confident	3 Å²	3	77.3 Å²	77.3	2%	0.015	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.3	176.5	-56	171.6	0	0	0	108	T284 V285 H303 F323 W333 T338	T284-I305 WeakPolarHBondContact CA-O 3.24Å; V285-I305 HydrophobicContact CB-CB 4.21Å; V285-I305 PolarHBondContact N-O 3.04Å; V285-I305 PolarHBondContact O-N 2.92Å; H303-I305 VanDerWaalsContact CD2-CG1 3.44Å; H303-I305 WeakPolarHBondContact CD2-CG1 3.34Å; I305-F323 HydrophobicContact CD1-CZ 3.84Å; I305-W333 HydrophobicContact CD1-CE3 4.07Å; I305-W333 HydrophobicContact CD1-CZ3 4.42Å; I305-W333 HydrophobicContact CG2-CE3 4.22Å; I305-W333 HydrophobicContact CG2-CH2 3.82Å; I305-W333 HydrophobicContact CG2-CZ3 3.54Å; I305-T338 HydrophobicContact CG1-CG2 4.44Å; I305-T338 HydrophobicContact CG2-CG2 4.43Å
306	L	91.5	Very high	88	Confident	138 Å²	138	65.8 Å²	65.8	72%	0.723	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	112.2	178.9	-67.1	168.3	0	0	0	110.1	T284	T284-L306 HydrophobicContact CG2-CD2 3.82Å
307	G	86.8	Confident	89.3	Confident	14 Å²	14	62.3 Å²	62.3	14%	0.144	32%	0.321	C	S	.	.			trans	-79.9	148.2	175.3	0	0	0	0	0	113.1	K283 T309 Y311	K283-G307 WeakPolarHBondContact O-CA 3.05Å; K283-G307 PolarHBondContact O-N 3.46Å; G307-T309 VanDerWaalsContact C-N 3.34Å; G307-Y311 WeakPolarHBondContact CA-OH 3.47Å
308	K	86.9	Confident	90	Very high	200 Å²	200	63.2 Å²	63.2	87%	0.87	32%	0.316	S	S	*	.	S	Bend	trans	-69.3	-36.8	169.5	-64.5	178.4	-178.4	174.9	0	111.3
309	T	89.4	Confident	90.9	Very high	38 Å²	38	61.5 Å²	61.5	23%	0.233	31%	0.306	C	S	.	.	S	Bend	trans	-116.4	164.5	-176.2	51.9	0	0	0	0	110.7	G307 Q328	G307-T309 VanDerWaalsContact C-N 3.34Å; T309-Q328 HydrophobicContact CG2-CB 4.3Å
310	V	90.7	Very high	91.5	Very high	55 Å²	55	62.1 Å²	62.1	33%	0.333	31%	0.309	S	S	.	.			trans	-70.9	135.1	170.9	179.9	0	0	0	0	108.7	K283	K283-V310 HydrophobicContact CG-CG2 3.82Å
311	Y	92.2	Very high	92	Very high	7 Å²	7	56 Å²	56	3%	0.027	29%	0.285	C	S	.	.			trans	-95.7	130.7	172	-59.5	-67.4	0	0	0	109.9	V279 V285 G307 T325 C326 W333	V279-Y311 HydrophobicContact CG1-CG 4.46Å; V279-Y311 WeakPolarHBondContact CG1-O 3.2Å; V285-Y311 HydrophobicContact CG2-CD2 3.75Å; V285-Y311 HydrophobicContact CG2-CE2 3.73Å; G307-Y311 WeakPolarHBondContact CA-OH 3.47Å; Y311-T325 WeakPolarHBondContact CD1-OG1 3.19Å; Y311-T325 VanDerWaalsContact CE1-OG1 3.3Å; Y311-T325 WeakPolarHBondContact CE1-OG1 3.48Å; Y311-C326 CarbonylContact C-O 3.53Å; Y311-C326 WeakPolarHBondContact CA-O 3.29Å; Y311-C326 WeakPolarHBondContact CB-O 3.39Å; Y311-W333 WeakPolarHBondContact OH-CZ2 3.44Å
312	T	92.7	Very high	92.2	Very high	44 Å²	44	54.7 Å²	54.7	27%	0.27	28%	0.276	S	S	.	.			trans	-94.4	-16.6	-177.6	53.2	0	0	0	0	113.2	C326 I351	T312-C326 PolarHBondContact N-O 2.98Å; T312-C326 PolarHBondContact OG1-O 3.19Å; T312-C326 PolarHBondContact OG1-SG 2.83Å; T312-I351 WeakPolarHBondContact CB-O 3.16Å; T312-I351 PolarHBondContact OG1-O 2.82Å
313	G	93.2	Very high	92.5	Very high	7 Å²	7	49.6 Å²	49.6	7%	0.072	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	166.1	-177.5	0	0	0	0	0	113.6	C326	G313-C326 PolarHBondContact N-O 3.46Å; G313-C326 WeakPolarHBondContact O-CB 3.33Å; G313-C326 PolarHBondContact O-N 2.86Å
314	I	95.9	Very high	92.8	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	150.2	-180	-172.6	163.3	0	0	0	110.4	C268 F277 V279 V285 F323 A324 T325 K355	C268-I314 HydrophobicContact CB-CG2 4.15Å; F277-I314 HydrophobicContact CB-CD1 3.57Å; F277-I314 HydrophobicContact CG-CD1 4.31Å; V279-I314 HydrophobicContact CB-CG2 4.36Å; V279-I314 HydrophobicContact CG2-CB 3.77Å; V279-I314 HydrophobicContact CG2-CD1 3.76Å; V279-I314 HydrophobicContact CG2-CG1 4.36Å; V279-I314 HydrophobicContact CG2-CG2 3.87Å; V285-I314 HydrophobicContact CG1-CD1 3.92Å; I314-F323 HydrophobicContact CD1-CD2 3.78Å; I314-F323 HydrophobicContact CD1-CE2 4.16Å; I314-F323 HydrophobicContact CG1-CD2 4.21Å; I314-A324 WeakPolarHBondContact CA-O 3.35Å; I314-T325 HydrophobicContact CD1-CG2 4.1Å; I314-T325 HydrophobicContact CG1-CG2 4.24Å; I314-K355 PolarHBondContact O-NZ 3.1Å
315	D	96.3	Very high	92.8	Very high	18 Å²	18	44.4 Å²	44.4	10%	0.096	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	155.5	165.8	-148.4	46.7	0	0	0	111.5	F323 A324 K355 F356	D315-F323 WeakPolarHBondContact O-CA 3.35Å; D315-F323 WeakPolarHBondContact O-CB 3.47Å; D315-A324 PolarHBondContact N-O 2.92Å; D315-A324 PolarHBondContact O-N 2.86Å; D315-K355 IonicContact OD1-NZ 3.53Å; D315-K355 PolarHBondContact OD1-NZ 2.67Å; D315-K355 WeakPolarHBondContact OD2-CA 3.29Å; D315-K355 IonicContact OD2-NZ 2.77Å; D315-F356 HydrophobicContact CB-CD2 3.95Å; D315-F356 WeakPolarHBondContact O-CE2 3.23Å; D315-F356 PolarHBondContact OD2-N 3.02Å
316	H	95.3	Very high	92.8	Very high	7 Å²	7	44.3 Å²	44.3	3%	0.032	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	142.5	-177.2	-159.5	-67.7	0	0	0	110.9	C268 F271 F277 E320 V322 E335 F356	C268-H316 HydrophobicContact CB-CB 4.46Å; C268-H316 VanDerWaalsContact SG-CB 3.58Å; C268-H316 PolarHBondContact SG-N 3.19Å; F271-H316 AromaticContact CD1-CE1 3.65Å; F277-H316 AromaticContact CD2-CD2 3.91Å; F277-H316 AromaticContact CE2-CD2 3.63Å; F277-H316 AromaticContact CE2-NE2 3.83Å; H316-E320 PolarHBondContact CE1-O 2.93Å; H316-E320 VanDerWaalsContact CE1-O 3.22Å; H316-V322 PolarHBondContact CE1-O 2.97Å; H316-V322 PolarHBondContact ND1-O 2.87Å; H316-E335 IonicContact NE2-OE1 2.72Å; H316-E335 PolarHBondContact NE2-OE1 3Å; H316-F356 WeakPolarHBondContact O-CD2 3.44Å
317	H	95.3	Very high	92.7	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.009	19%	0.188	C	C	.	.			trans	-64.9	143.7	173	-171.8	-115.2	0	0	0	110.5	K319 E320 V322 F356 T361	H317-K319 VanDerWaalsContact C-N 3.31Å; H317-K319 PolarHBondContact O-N 2.73Å; H317-E320 IonicContact CE1-OE2 3.69Å; H317-E320 VanDerWaalsContact ND1-CB 3.33Å; H317-E320 WeakPolarHBondContact ND1-CB 3.23Å; H317-E320 PolarHBondContact ND1-N 3.12Å; H317-E320 VanDerWaalsContact ND1-N 3.14Å; H317-E320 IonicContact ND1-OE2 3.97Å; H317-V322 HydrophobicContact CB-CB 4.17Å; H317-V322 WeakPolarHBondContact CB-O 3.24Å; H317-V322 PolarHBondContact N-O 3.23Å; H317-F356 HydrophobicContact CB-CE2 4.47Å; H317-F356 HydrophobicContact CB-CZ 4.41Å; H317-T361 PolarHBondContact CD2-O 2.93Å; H317-T361 PolarHBondContact CE1-OG1 3.42Å; H317-T361 VanDerWaalsContact CE1-OG1 3.31Å; H317-T361 WeakPolarHBondContact NE2-CB 3.39Å; H317-T361 PolarHBondContact NE2-O 2.97Å; H317-T361 PolarHBondContact NE2-OG1 3.44Å
318	W	92.3	Very high	92.8	Very high	129 Å²	129	41.3 Å²	41.3	49%	0.489	20%	0.201	S	C	.	.	S	Bend	trans	-77.7	-9.7	-170.8	-73	78.7	0	0	0	115	P358 T361	W318-P358 HydrophobicContact CD2-CB 3.98Å; W318-P358 HydrophobicContact CE3-CB 4.39Å; W318-P358 HydrophobicContact CG-CB 4.47Å; W318-P358 HydrophobicContact CH2-CB 4.26Å; W318-P358 HydrophobicContact CZ2-CB 3.84Å; W318-T361 HydrophobicContact CB-CG2 4Å
319	K	92.6	Very high	92.9	Very high	138 Å²	138	34.5 Å²	34.5	60%	0.6	17%	0.172	S	C	*	.	S	Bend	trans	-136.1	-20.7	-173.8	-68.4	175.4	-175.6	164.7	0	115.9	H317 T361	H317-K319 VanDerWaalsContact C-N 3.31Å; H317-K319 PolarHBondContact O-N 2.73Å; K319-T361 HydrophobicContact CD-CG2 3.94Å; K319-T361 HydrophobicContact CG-CG2 4.2Å
320	E	93.3	Very high	93.1	Very high	83 Å²	83	32.7 Å²	32.7	39%	0.388	16%	0.161	S	C	.	.	S	Bend	trans	-127.4	160.6	-170.6	-58.4	173.4	-178.7	0	0	109.2	F271 H316 H317 V322 F362	F271-E320 WeakPolarHBondContact CD1-O 3.43Å; F271-E320 VanDerWaalsContact CE1-C 3.4Å; F271-E320 WeakPolarHBondContact CE1-O 3.39Å; H316-E320 PolarHBondContact CE1-O 2.93Å; H316-E320 VanDerWaalsContact CE1-O 3.22Å; H317-E320 IonicContact CE1-OE2 3.69Å; H317-E320 VanDerWaalsContact ND1-CB 3.33Å; H317-E320 WeakPolarHBondContact ND1-CB 3.23Å; H317-E320 PolarHBondContact ND1-N 3.12Å; H317-E320 VanDerWaalsContact ND1-N 3.14Å; H317-E320 IonicContact ND1-OE2 3.97Å; E320-V322 HydrophobicContact CB-CG2 4.24Å; E320-V322 PolarHBondContact O-N 3Å; E320-F362 WeakPolarHBondContact OE1-CZ 3.31Å
321	A	93.3	Very high	93.2	Very high	27 Å²	27	30.3 Å²	30.3	22%	0.223	15%	0.146	C	C	.	.	S	Bend	trans	-76.1	46.3	179.7	0	0	0	0	0	112.8	R270 E335	R270-A321 VanDerWaalsContact NH1-CB 3.31Å; A321-E335 HydrophobicContact CB-CB 4.5Å; A321-E335 HydrophobicContact CB-CG 4.18Å; A321-E335 PolarHBondContact O-N 2.74Å; A321-E335 VanDerWaalsContact O-N 3.13Å
322	V	94.4	Very high	93.3	Very high	18 Å²	18	30.2 Å²	30.2	11%	0.109	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	136.8	-175.4	178.4	0	0	0	0	108.5	H316 H317 E320 I332 W333 M378	H316-V322 PolarHBondContact CE1-O 2.97Å; H316-V322 PolarHBondContact ND1-O 2.87Å; H317-V322 HydrophobicContact CB-CB 4.17Å; H317-V322 WeakPolarHBondContact CB-O 3.24Å; H317-V322 PolarHBondContact N-O 3.23Å; E320-V322 HydrophobicContact CB-CG2 4.24Å; E320-V322 PolarHBondContact O-N 3Å; V322-I332 HydrophobicContact CG1-CG2 4.01Å; V322-W333 VanDerWaalsContact CA-O 3.27Å; V322-W333 WeakPolarHBondContact CA-O 3.27Å; V322-W333 WeakPolarHBondContact CG1-O 3.16Å; V322-M378 HydrophobicContact CG1-CE 3.44Å; V322-M378 VanDerWaalsContact CG1-CE 3.44Å
323	F	95	Very high	93.3	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	157.4	175.1	65.9	-87.9	0	0	0	110.7	F277 V285 I305 I314 D315 T325 W333 E335	F277-F323 HydrophobicContact CD1-CE1 4.47Å; F277-F323 HydrophobicContact CE1-CD1 4.34Å; F277-F323 AromaticContact CE1-CE1 3.98Å; F277-F323 HydrophobicContact CE1-CE1 3.98Å; F277-F323 HydrophobicContact CE1-CZ 4.36Å; F277-F323 HydrophobicContact CZ-CD1 4.28Å; F277-F323 HydrophobicContact CZ-CE1 4.27Å; V285-F323 HydrophobicContact CG1-CE2 4.16Å; I305-F323 HydrophobicContact CD1-CZ 3.84Å; I314-F323 HydrophobicContact CD1-CD2 3.78Å; I314-F323 HydrophobicContact CD1-CE2 4.16Å; I314-F323 HydrophobicContact CG1-CD2 4.21Å; D315-F323 WeakPolarHBondContact O-CA 3.35Å; D315-F323 WeakPolarHBondContact O-CB 3.47Å; F323-T325 HydrophobicContact CD2-CG2 3.93Å; F323-T325 HydrophobicContact CE2-CG2 3.75Å; F323-W333 HydrophobicContact CD1-CB 3.94Å; F323-W333 HydrophobicContact CD2-CB 3.91Å; F323-W333 AromaticContact CD2-CD1 3.94Å; F323-W333 HydrophobicContact CD2-CG 4.12Å; F323-W333 HydrophobicContact CE1-CB 3.52Å; F323-W333 HydrophobicContact CE1-CG 4.39Å; F323-W333 HydrophobicContact CE2-CB 3.5Å; F323-W333 AromaticContact CE2-CD1 3.6Å; F323-W333 HydrophobicContact CE2-CD2 4.33Å; F323-W333 AromaticContact CE2-CG 3.52Å; F323-W333 HydrophobicContact CE2-CG 3.52Å; F323-W333 HydrophobicContact CG-CB 4.11Å; F323-W333 HydrophobicContact CZ-CB 3.29Å; F323-W333 HydrophobicContact CZ-CD2 4.36Å; F323-W333 AromaticContact CZ-CG 3.68Å; F323-W333 HydrophobicContact CZ-CG 3.68Å; F323-W333 PolarHBondContact N-O 3.42Å; F323-W333 PolarHBondContact O-N 2.9Å; F323-E335 HydrophobicContact CD1-CG 4.21Å; F323-E335 HydrophobicContact CE1-CG 4.32Å
324	A	94.9	Very high	93.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.6	178	0	0	0	0	0	109.1	I314 D315 V330 D331 V354 F356	I314-A324 WeakPolarHBondContact CA-O 3.35Å; D315-A324 PolarHBondContact N-O 2.92Å; D315-A324 PolarHBondContact O-N 2.86Å; A324-V330 HydrophobicContact CB-CG1 4.41Å; A324-D331 CarbonylContact C-O 3.41Å; A324-D331 WeakPolarHBondContact CA-O 3.16Å; A324-V354 HydrophobicContact CB-CG1 3.85Å; A324-F356 HydrophobicContact CB-CE2 3.62Å; A324-F356 HydrophobicContact CB-CZ 3.66Å
325	T	94.6	Very high	92.9	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	158.7	169	68.2	0	0	0	0	110.6	V285 Y311 I314 F323 V330 D331 W333	V285-T325 HydrophobicContact CG2-CG2 4.03Å; Y311-T325 WeakPolarHBondContact CD1-OG1 3.19Å; Y311-T325 VanDerWaalsContact CE1-OG1 3.3Å; Y311-T325 WeakPolarHBondContact CE1-OG1 3.48Å; I314-T325 HydrophobicContact CD1-CG2 4.1Å; I314-T325 HydrophobicContact CG1-CG2 4.24Å; F323-T325 HydrophobicContact CD2-CG2 3.93Å; F323-T325 HydrophobicContact CE2-CG2 3.75Å; T325-V330 WeakPolarHBondContact O-CA 3.44Å; T325-D331 PolarHBondContact N-O 2.86Å; T325-D331 PolarHBondContact O-N 3.16Å; T325-D331 VanDerWaalsContact O-N 3.08Å; T325-W333 PolarHBondContact OG1-NE1 2.87Å
326	C	91.8	Very high	92.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	130.5	-171.7	178.6	0	0	0	0	107.2	Y311 T312 G313 I351 V354	Y311-C326 CarbonylContact C-O 3.53Å; Y311-C326 WeakPolarHBondContact CA-O 3.29Å; Y311-C326 WeakPolarHBondContact CB-O 3.39Å; T312-C326 PolarHBondContact N-O 2.98Å; T312-C326 PolarHBondContact OG1-O 3.19Å; T312-C326 PolarHBondContact OG1-SG 2.83Å; G313-C326 PolarHBondContact N-O 3.46Å; G313-C326 WeakPolarHBondContact O-CB 3.33Å; G313-C326 PolarHBondContact O-N 2.86Å; C326-I351 WeakPolarHBondContact SG-CB 3.35Å; C326-I351 WeakPolarHBondContact SG-CG2 3.5Å; C326-I351 PolarHBondContact SG-O 2.71Å; C326-V354 HydrophobicContact CB-CB 4.14Å; C326-V354 HydrophobicContact CB-CG2 3.62Å
327	G	88.8	Confident	92.3	Very high	3 Å²	3	42.8 Å²	42.8	3%	0.031	19%	0.194	C	C	.	.	S	Bend	trans	-161.5	-122	177.5	0	0	0	0	0	109.9	Q329 I351	G327-Q329 VanDerWaalsContact C-N 3.27Å; G327-Q329 PolarHBondContact N-O 3.07Å; G327-I351 PolarHBondContact O-N 3.13Å
328	Q	89.1	Confident	92	Very high	87 Å²	87	46.4 Å²	46.4	41%	0.407	22%	0.216	S	C	.	.	S	Bend	trans	-64.4	-35.8	166.1	-164.6	-180	3.9	0	0	111.2	T309 D349	T309-Q328 HydrophobicContact CG2-CB 4.3Å; Q328-D349 WeakPolarHBondContact CG-OD1 3.4Å; Q328-D349 PolarHBondContact NE2-OD1 2.84Å
329	Q	90.4	Very high	91.9	Very high	56 Å²	56	46.1 Å²	46.1	26%	0.262	23%	0.225	S	C	.	.	S	Bend	trans	-129.5	174.1	178.5	65.6	-170.2	3.1	0	0	110.9	G327 D331 S343 T345	G327-Q329 VanDerWaalsContact C-N 3.27Å; G327-Q329 PolarHBondContact N-O 3.07Å; Q329-D331 WeakPolarHBondContact CG-OD1 3.47Å; Q329-D331 WeakPolarHBondContact CG-OD2 3.46Å; Q329-D331 VanDerWaalsContact NE2-CG 3.35Å; Q329-D331 PolarHBondContact NE2-OD1 3.27Å; Q329-D331 PolarHBondContact NE2-OD2 3.22Å; Q329-D331 VanDerWaalsContact NE2-OD2 3.13Å; Q329-S343 PolarHBondContact NE2-OG 3.35Å; Q329-T345 HydrophobicContact CB-CG2 3.53Å; Q329-T345 HydrophobicContact CG-CG2 4.49Å; Q329-T345 VanDerWaalsContact OE1-CG2 3.31Å
330	V	92.4	Very high	91.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	117.2	165.3	-177.6	0	0	0	0	107.7	A324 T325 M344 I351 V354 L364 Y376	A324-V330 HydrophobicContact CB-CG1 4.41Å; T325-V330 WeakPolarHBondContact O-CA 3.44Å; V330-M344 HydrophobicContact CB-CB 4.46Å; V330-M344 PolarHBondContact N-O 3.36Å; V330-M344 PolarHBondContact O-N 2.81Å; V330-I351 HydrophobicContact CG2-CD1 3.51Å; V330-V354 HydrophobicContact CG1-CG2 4.25Å; V330-V354 HydrophobicContact CG2-CG2 3.91Å; V330-L364 HydrophobicContact CG1-CD1 3.94Å; V330-Y376 HydrophobicContact CB-CE1 4.31Å; V330-Y376 HydrophobicContact CG2-CE1 4.02Å; V330-Y376 HydrophobicContact CG2-CE2 4Å; V330-Y376 WeakPolarHBondContact CG2-OH 3.19Å
331	D	92.9	Very high	91.7	Very high	6 Å²	6	42.1 Å²	42.1	3%	0.032	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.7	176.2	-73.6	-44.6	0	0	0	109.9	A324 T325 Q329 W333 P340 S343	A324-D331 CarbonylContact C-O 3.41Å; A324-D331 WeakPolarHBondContact CA-O 3.16Å; T325-D331 PolarHBondContact N-O 2.86Å; T325-D331 PolarHBondContact O-N 3.16Å; T325-D331 VanDerWaalsContact O-N 3.08Å; Q329-D331 WeakPolarHBondContact CG-OD1 3.47Å; Q329-D331 WeakPolarHBondContact CG-OD2 3.46Å; Q329-D331 VanDerWaalsContact NE2-CG 3.35Å; Q329-D331 PolarHBondContact NE2-OD1 3.27Å; Q329-D331 PolarHBondContact NE2-OD2 3.22Å; Q329-D331 VanDerWaalsContact NE2-OD2 3.13Å; D331-W333 HydrophobicContact CB-CZ2 3.9Å; D331-W333 VanDerWaalsContact CB-NE1 3.28Å; D331-W333 PolarHBondContact O-NE1 3.47Å; D331-P340 HydrophobicContact CB-CB 4.21Å; D331-S343 WeakPolarHBondContact OD1-CA 3.11Å; D331-S343 WeakPolarHBondContact OD1-CB 3.41Å; D331-S343 PolarHBondContact OD1-OG 3.41Å
332	I	93.9	Very high	91.5	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.7	179	-70.4	160.4	0	0	0	108.7	V322 P340 I341 C342 M344 M378	V322-I332 HydrophobicContact CG1-CG2 4.01Å; I332-P340 CarbonylContact O-C 3.58Å; I332-P340 VanDerWaalsContact O-CA 3.3Å; I332-P340 WeakPolarHBondContact O-CA 3.4Å; I332-P340 WeakPolarHBondContact O-CB 3.33Å; I332-I341 HydrophobicContact CG2-CB 4.26Å; I332-I341 HydrophobicContact CG2-CD1 4.09Å; I332-I341 PolarHBondContact O-N 3.29Å; I332-C342 HydrophobicContact CB-CB 4.26Å; I332-C342 HydrophobicContact CD1-CB 4.11Å; I332-C342 PolarHBondContact N-O 3Å; I332-M344 HydrophobicContact CD1-CE 3.71Å; I332-M344 HydrophobicContact CD1-CG 4.46Å; I332-M344 HydrophobicContact CD1-SD 3.64Å; I332-M378 HydrophobicContact CB-CE 4.33Å; I332-M378 HydrophobicContact CD1-CE 4.01Å; I332-M378 HydrophobicContact CD1-SD 3.39Å; I332-M378 WeakPolarHBondContact CD1-SD 3.43Å; I332-M378 HydrophobicContact CG1-CE 4.02Å; I332-M378 HydrophobicContact CG1-SD 3.65Å; I332-M378 HydrophobicContact CG2-CE 3.37Å; I332-M378 HydrophobicContact CG2-SD 4.19Å
333	W	93.9	Very high	91.3	Very high	8 Å²	8	44 Å²	44	3%	0.03	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145	-171.9	-57.1	84.1	0	0	0	111.9	I305 Y311 V322 F323 T325 D331 P340	I305-W333 HydrophobicContact CD1-CE3 4.07Å; I305-W333 HydrophobicContact CD1-CZ3 4.42Å; I305-W333 HydrophobicContact CG2-CE3 4.22Å; I305-W333 HydrophobicContact CG2-CH2 3.82Å; I305-W333 HydrophobicContact CG2-CZ3 3.54Å; Y311-W333 WeakPolarHBondContact OH-CZ2 3.44Å; V322-W333 VanDerWaalsContact CA-O 3.27Å; V322-W333 WeakPolarHBondContact CA-O 3.27Å; V322-W333 WeakPolarHBondContact CG1-O 3.16Å; F323-W333 HydrophobicContact CD1-CB 3.94Å; F323-W333 HydrophobicContact CD2-CB 3.91Å; F323-W333 AromaticContact CD2-CD1 3.94Å; F323-W333 HydrophobicContact CD2-CG 4.12Å; F323-W333 HydrophobicContact CE1-CB 3.52Å; F323-W333 HydrophobicContact CE1-CG 4.39Å; F323-W333 HydrophobicContact CE2-CB 3.5Å; F323-W333 AromaticContact CE2-CD1 3.6Å; F323-W333 HydrophobicContact CE2-CD2 4.33Å; F323-W333 AromaticContact CE2-CG 3.52Å; F323-W333 HydrophobicContact CE2-CG 3.52Å; F323-W333 HydrophobicContact CG-CB 4.11Å; F323-W333 HydrophobicContact CZ-CB 3.29Å; F323-W333 HydrophobicContact CZ-CD2 4.36Å; F323-W333 AromaticContact CZ-CG 3.68Å; F323-W333 HydrophobicContact CZ-CG 3.68Å; F323-W333 PolarHBondContact N-O 3.42Å; F323-W333 PolarHBondContact O-N 2.9Å; T325-W333 PolarHBondContact OG1-NE1 2.87Å; D331-W333 HydrophobicContact CB-CZ2 3.9Å; D331-W333 VanDerWaalsContact CB-NE1 3.28Å; D331-W333 PolarHBondContact O-NE1 3.47Å; W333-P340 HydrophobicContact CD2-CB 4.08Å; W333-P340 HydrophobicContact CE3-CB 4.16Å; W333-P340 HydrophobicContact CH2-CB 4.09Å; W333-P340 HydrophobicContact CH2-CG 4.1Å; W333-P340 HydrophobicContact CZ2-CB 3.98Å; W333-P340 HydrophobicContact CZ2-CG 4.28Å; W333-P340 HydrophobicContact CZ3-CB 4.18Å; W333-P340 HydrophobicContact CZ3-CG 4.38Å; W333-P340 VanDerWaalsContact CZ3-N 3.34Å
334	D	92.7	Very high	90.9	Very high	32 Å²	32	44 Å²	44	17%	0.171	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	138.5	161.6	-165.7	-22.2	0	0	0	107.5	Q336 R337 I341	D334-Q336 PolarHBondContact O-N 2.87Å; D334-Q336 VanDerWaalsContact O-N 3.15Å; D334-Q336 PolarHBondContact OD1-N 3.28Å; D334-R337 HydrophobicContact CB-CB 4.08Å; D334-R337 HydrophobicContact CB-CG 3.97Å; D334-R337 PolarHBondContact O-N 3.04Å; D334-R337 VanDerWaalsContact O-N 3.08Å; D334-R337 IonicContact OD2-CZ 3.67Å; D334-R337 IonicContact OD2-NH1 2.69Å; D334-R337 PolarHBondContact OD2-NH1 3.01Å; D334-I341 HydrophobicContact CB-CD1 3.87Å; D334-I341 HydrophobicContact CB-CG1 4.14Å
335	E	88.2	Confident	90.4	Very high	12 Å²	12	48.1 Å²	48.1	6%	0.056	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-27.5	176.2	-66.7	-172	160.5	0	0	113.6	R270 F277 H316 A321 F323 R337	R270-E335 VanDerWaalsContact CD-OE1 3.23Å; R270-E335 WeakPolarHBondContact CD-OE1 3.44Å; R270-E335 WeakPolarHBondContact CG-OE1 3.41Å; R270-E335 IonicContact CZ-OE1 2.87Å; R270-E335 IonicContact CZ-OE2 2.92Å; R270-E335 IonicContact NE-OE1 3.3Å; R270-E335 IonicContact NE-OE2 3.2Å; R270-E335 IonicContact NH1-OE1 2.72Å; R270-E335 PolarHBondContact NH1-OE1 2.76Å; R270-E335 IonicContact NH1-OE2 3.95Å; R270-E335 PolarHBondContact NH1-OE2 2.96Å; R270-E335 IonicContact NH2-OE2 3.88Å; F277-E335 HydrophobicContact CE2-CG 4.37Å; F277-E335 WeakPolarHBondContact CE2-OE1 3.17Å; F277-E335 HydrophobicContact CZ-CG 3.68Å; F277-E335 VanDerWaalsContact CZ-OE1 3.31Å; F277-E335 WeakPolarHBondContact CZ-OE1 3.48Å; H316-E335 IonicContact NE2-OE1 2.72Å; H316-E335 PolarHBondContact NE2-OE1 3Å; A321-E335 HydrophobicContact CB-CB 4.5Å; A321-E335 HydrophobicContact CB-CG 4.18Å; A321-E335 PolarHBondContact O-N 2.74Å; A321-E335 VanDerWaalsContact O-N 3.13Å; F323-E335 HydrophobicContact CD1-CG 4.21Å; F323-E335 HydrophobicContact CE1-CG 4.32Å; E335-R337 VanDerWaalsContact C-N 3.3Å
336	Q	88.4	Confident	89.5	Confident	158 Å²	158	52 Å²	52	74%	0.738	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-3.3	-178.9	-55.3	-57.7	-59.7	0	0	113.3	D334	D334-Q336 PolarHBondContact O-N 2.87Å; D334-Q336 VanDerWaalsContact O-N 3.15Å; D334-Q336 PolarHBondContact OD1-N 3.28Å
337	R	89.7	Confident	88.5	Confident	135 Å²	135	55.3 Å²	55.3	51%	0.509	30%	0.299	S	S	.	.			trans	-123.2	129.6	-172.6	-65	-177.7	169.8	113.8	-11.7	112.4	D334 E335 N339	D334-R337 HydrophobicContact CB-CB 4.08Å; D334-R337 HydrophobicContact CB-CG 3.97Å; D334-R337 PolarHBondContact O-N 3.04Å; D334-R337 VanDerWaalsContact O-N 3.08Å; D334-R337 IonicContact OD2-CZ 3.67Å; D334-R337 IonicContact OD2-NH1 2.69Å; D334-R337 PolarHBondContact OD2-NH1 3.01Å; E335-R337 VanDerWaalsContact C-N 3.3Å; R337-N339 PolarHBondContact O-N 3.35Å
338	T	89	Confident	87.4	Confident	77 Å²	77	58.1 Å²	58.1	47%	0.472	31%	0.311	S	S	.	.	S	Bend	trans	-79	-2.8	172.7	-33	0	0	0	0	113.5	I305	I305-T338 HydrophobicContact CG1-CG2 4.44Å; I305-T338 HydrophobicContact CG2-CG2 4.43Å
339	N	89.5	Confident	86.1	Confident	124 Å²	124	59.6 Å²	59.6	66%	0.663	32%	0.321	S	S	*	.	S	Bend	trans	-117.3	145.8	173.7	-72.7	-40.2	0	0	0	109.5	R337	R337-N339 PolarHBondContact O-N 3.35Å
340	P	91.4	Very high	85.9	Confident	44 Å²	44	59.1 Å²	59.1	29%	0.286	33%	0.325	S	S	.	.			trans	-67.9	145.5	178.2	29.2	-32.8	0	0	0	110.6	D331 I332 W333	D331-P340 HydrophobicContact CB-CB 4.21Å; I332-P340 CarbonylContact O-C 3.58Å; I332-P340 VanDerWaalsContact O-CA 3.3Å; I332-P340 WeakPolarHBondContact O-CA 3.4Å; I332-P340 WeakPolarHBondContact O-CB 3.33Å; W333-P340 HydrophobicContact CD2-CB 4.08Å; W333-P340 HydrophobicContact CE3-CB 4.16Å; W333-P340 HydrophobicContact CH2-CB 4.09Å; W333-P340 HydrophobicContact CH2-CG 4.1Å; W333-P340 HydrophobicContact CZ2-CB 3.98Å; W333-P340 HydrophobicContact CZ2-CG 4.28Å; W333-P340 HydrophobicContact CZ3-CB 4.18Å; W333-P340 HydrophobicContact CZ3-CG 4.38Å; W333-P340 VanDerWaalsContact CZ3-N 3.34Å
341	I	90.7	Very high	85.8	Confident	92 Å²	92	59.6 Å²	59.6	47%	0.472	33%	0.327	S	S	.	.	S	Bend	trans	-67.7	-43.4	170.9	-58.5	159.9	0	0	0	109.8	I332 D334	I332-I341 HydrophobicContact CG2-CB 4.26Å; I332-I341 HydrophobicContact CG2-CD1 4.09Å; I332-I341 PolarHBondContact O-N 3.29Å; D334-I341 HydrophobicContact CB-CD1 3.87Å; D334-I341 HydrophobicContact CB-CG1 4.14Å
342	C	89.4	Confident	85.7	Confident	31 Å²	31	61.2 Å²	61.2	21%	0.209	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	138.1	-174.5	-173.2	0	0	0	0	110.3	I332	I332-C342 HydrophobicContact CB-CB 4.26Å; I332-C342 HydrophobicContact CD1-CB 4.11Å; I332-C342 PolarHBondContact N-O 3Å
343	S	89.5	Confident	85.7	Confident	53 Å²	53	61.7 Å²	61.7	37%	0.371	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	112.8	175.1	-66.5	0	0	0	0	108.8	Q329 D331	Q329-S343 PolarHBondContact NE2-OG 3.35Å; D331-S343 WeakPolarHBondContact OD1-CA 3.11Å; D331-S343 WeakPolarHBondContact OD1-CB 3.41Å; D331-S343 PolarHBondContact OD1-OG 3.41Å
344	M	87.8	Confident	85.7	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	117.2	-175.3	-68.1	170.4	160.6	0	0	111	V330 I332 Y376 Q380	V330-M344 HydrophobicContact CB-CB 4.46Å; V330-M344 PolarHBondContact N-O 3.36Å; V330-M344 PolarHBondContact O-N 2.81Å; I332-M344 HydrophobicContact CD1-CE 3.71Å; I332-M344 HydrophobicContact CD1-CG 4.46Å; I332-M344 HydrophobicContact CD1-SD 3.64Å; M344-Y376 HydrophobicContact CB-CD1 3.73Å; M344-Y376 HydrophobicContact CB-CE1 3.77Å; M344-Y376 HydrophobicContact CG-CD1 4.17Å; M344-Y376 HydrophobicContact SD-CD1 3.47Å; M344-Y376 WeakPolarHBondContact SD-CD1 3.23Å; M344-Y376 HydrophobicContact SD-CE1 4.4Å; M344-Y376 HydrophobicContact SD-CG 3.99Å; M344-Q380 WeakPolarHBondContact CE-O 3.37Å
345	T	83.8	Confident	85.9	Confident	87 Å²	87	62.5 Å²	62.5	53%	0.534	35%	0.345	S	S	.	.			trans	-121.3	145	178.4	51.5	0	0	0	0	112	Q329	Q329-T345 HydrophobicContact CB-CG2 3.53Å; Q329-T345 HydrophobicContact CG-CG2 4.49Å; Q329-T345 VanDerWaalsContact OE1-CG2 3.31Å
346	W	76.4	Confident	86.3	Confident	83 Å²	83	62.2 Å²	62.2	31%	0.314	34%	0.343	S	S	.	.	S	Bend	trans	-120.5	15.3	164.1	-149.1	-49.8	0	0	0	110.5	F348 V374 P383 K386 V596	W346-F348 HydrophobicContact CB-CD2 4.06Å; W346-F348 HydrophobicContact CB-CE2 3.85Å; W346-F348 AromaticContact CD1-CE2 4Å; W346-F348 HydrophobicContact CG-CE2 4.11Å; W346-F348 WeakPolarHBondContact O-CE2 3.45Å; W346-V374 HydrophobicContact CE3-CG1 3.86Å; W346-V374 HydrophobicContact CZ3-CG1 4.38Å; W346-P383 HydrophobicContact CD2-CG 3.9Å; W346-P383 HydrophobicContact CE3-CB 3.41Å; W346-P383 VanDerWaalsContact CE3-CB 3.41Å; W346-P383 HydrophobicContact CE3-CG 3.15Å; W346-P383 HydrophobicContact CH2-CG 4.34Å; W346-P383 HydrophobicContact CZ3-CB 3.49Å; W346-P383 VanDerWaalsContact CZ3-CB 3.49Å; W346-P383 HydrophobicContact CZ3-CG 3.42Å; W346-P383 VanDerWaalsContact CZ3-CG 3.42Å; W346-K386 HydrophobicContact CE3-CB 4.47Å; W346-V596 HydrophobicContact CZ2-CG1 4Å
347	G	71.4	Confident	86.7	Confident	68 Å²	68	54.7 Å²	54.7	70%	0.701	31%	0.308	S	S	*	.	S	Bend	trans	79.4	39.3	178.2	0	0	0	0	0	115.8
348	F	64.4	Low	86.8	Confident	62 Å²	62	49.5 Å²	49.5	27%	0.272	29%	0.292	S	S	.	.			trans	-125.1	149.6	175.2	-56.9	-68.1	0	0	0	110	W346 D370 K386	W346-F348 HydrophobicContact CB-CD2 4.06Å; W346-F348 HydrophobicContact CB-CE2 3.85Å; W346-F348 AromaticContact CD1-CE2 4Å; W346-F348 HydrophobicContact CG-CE2 4.11Å; W346-F348 WeakPolarHBondContact O-CE2 3.45Å; F348-D370 HydrophobicContact CD1-CB 4.4Å; F348-D370 WeakPolarHBondContact CD1-OD2 3.48Å; F348-K386 HydrophobicContact CE2-CD 4.25Å; F348-K386 VanDerWaalsContact CE2-NZ 3.26Å
349	D	61.8	Low	87.1	Confident	118 Å²	118	48.9 Å²	48.9	63%	0.631	29%	0.285	S	S	*	.	S	Bend	trans	-99.2	-7.9	-164.9	-113.7	22.2	0	0	0	115.1	Q328	Q328-D349 WeakPolarHBondContact CG-OD1 3.4Å; Q328-D349 PolarHBondContact NE2-OD1 2.84Å
350	S	86.4	Confident	87.4	Confident	47 Å²	47	47.7 Å²	47.7	33%	0.329	28%	0.276	S	S	.	.			trans	-151.7	117.5	172.2	55.1	0	0	0	0	113.7	S369	S350-S369 PolarHBondContact O-N 3.38Å; S350-S369 VanDerWaalsContact OG-CB 3.29Å; S350-S369 WeakPolarHBondContact OG-CB 3.33Å
351	I	91.7	Very high	87.5	Confident	9 Å²	9	45.9 Å²	45.9	5%	0.046	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	135.3	168.8	-49.2	-175.4	0	0	0	106.5	T312 C326 G327 V330 V354 C367	T312-I351 WeakPolarHBondContact CB-O 3.16Å; T312-I351 PolarHBondContact OG1-O 2.82Å; C326-I351 WeakPolarHBondContact SG-CB 3.35Å; C326-I351 WeakPolarHBondContact SG-CG2 3.5Å; C326-I351 PolarHBondContact SG-O 2.71Å; G327-I351 PolarHBondContact O-N 3.13Å; V330-I351 HydrophobicContact CG2-CD1 3.51Å; I351-V354 HydrophobicContact CG2-CG2 4.43Å; I351-C367 CarbonylContact C-O 3.38Å; I351-C367 WeakPolarHBondContact CA-O 3.37Å; I351-C367 WeakPolarHBondContact CG2-O 3.46Å
352	S	90	Very high	87.6	Confident	40 Å²	40	44.1 Å²	44.1	28%	0.28	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-32.7	-174	64.1	0	0	0	0	113.5	C367 T393 N394	S352-C367 PolarHBondContact N-O 2.89Å; S352-C367 WeakPolarHBondContact OG-CB 3.06Å; S352-C367 PolarHBondContact OG-O 2.83Å; S352-T393 PolarHBondContact OG-O 3.07Å; S352-N394 PolarHBondContact OG-O 2.83Å
353	S	92.8	Very high	87.9	Confident	15 Å²	15	43.1 Å²	43.1	11%	0.105	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	152.1	179	62.1	0	0	0	0	111.7	S366 C367 N394 T395	S353-S366 CarbonylContact O-C 3.58Å; S353-S366 WeakPolarHBondContact O-CA 3.39Å; S353-S366 WeakPolarHBondContact O-CB 3.46Å; S353-C367 PolarHBondContact O-N 2.89Å; S353-N394 PolarHBondContact OG-O 3.27Å; S353-T395 WeakPolarHBondContact OG-CA 3.49Å
354	V	94.9	Very high	88.1	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	139.5	172.5	167.3	0	0	0	0	108.4	A324 C326 V330 I351 L364 G365	A324-V354 HydrophobicContact CB-CG1 3.85Å; C326-V354 HydrophobicContact CB-CB 4.14Å; C326-V354 HydrophobicContact CB-CG2 3.62Å; V330-V354 HydrophobicContact CG1-CG2 4.25Å; V330-V354 HydrophobicContact CG2-CG2 3.91Å; I351-V354 HydrophobicContact CG2-CG2 4.43Å; V354-L364 HydrophobicContact CG1-CD1 3.98Å; V354-G365 WeakPolarHBondContact CA-O 3.24Å
355	K	96.3	Very high	88.5	Confident	56 Å²	56	40.6 Å²	40.6	24%	0.243	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	130.2	172.9	-71	-73.3	147.7	-100.9	0	111.8	I314 D315 L364 G365 I396 W398	I314-K355 PolarHBondContact O-NZ 3.1Å; D315-K355 IonicContact OD1-NZ 3.53Å; D315-K355 PolarHBondContact OD1-NZ 2.67Å; D315-K355 WeakPolarHBondContact OD2-CA 3.29Å; D315-K355 IonicContact OD2-NZ 2.77Å; K355-L364 WeakPolarHBondContact O-CA 3.24Å; K355-G365 PolarHBondContact N-O 3.36Å; K355-G365 PolarHBondContact O-N 3Å; K355-I396 WeakPolarHBondContact CG-O 3.33Å; K355-W398 PolarHBondContact O-NE1 3.21Å
356	F	96.4	Very high	88.9	Confident	5 Å²	5	36.5 Å²	36.5	2%	0.022	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	146.9	169.8	-78.2	-75.5	0	0	0	111.4	D315 H316 H317 A324 T361 L364 M378 W398	D315-F356 HydrophobicContact CB-CD2 3.95Å; D315-F356 WeakPolarHBondContact O-CE2 3.23Å; D315-F356 PolarHBondContact OD2-N 3.02Å; H316-F356 WeakPolarHBondContact O-CD2 3.44Å; H317-F356 HydrophobicContact CB-CE2 4.47Å; H317-F356 HydrophobicContact CB-CZ 4.41Å; A324-F356 HydrophobicContact CB-CE2 3.62Å; A324-F356 HydrophobicContact CB-CZ 3.66Å; F356-T361 WeakPolarHBondContact CD1-O 3.41Å; F356-L364 HydrophobicContact CD1-CB 3.98Å; F356-L364 HydrophobicContact CE1-CB 4.17Å; F356-L364 HydrophobicContact CE1-CD2 4.06Å; F356-M378 HydrophobicContact CE1-CE 4.42Å; F356-M378 HydrophobicContact CE1-CG 4.08Å; F356-M378 HydrophobicContact CE1-SD 3.78Å; F356-M378 HydrophobicContact CZ-CE 4.46Å; F356-M378 HydrophobicContact CZ-SD 4.1Å; F356-W398 VanDerWaalsContact C-CD1 3.49Å
357	N	96.6	Very high	89.7	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.187	C	C	.	.			trans	-74.7	127.8	170.2	-176.3	-20	0	0	0	110	I359 E360 T361 L363 W398 A403	N357-I359 VanDerWaalsContact C-N 3.3Å; N357-I359 PolarHBondContact O-N 3.3Å; N357-I359 PolarHBondContact OD1-N 3.26Å; N357-E360 WeakPolarHBondContact CB-O 3.13Å; N357-E360 PolarHBondContact OD1-N 2.96Å; N357-T361 WeakPolarHBondContact O-CA 3.39Å; N357-L363 HydrophobicContact CB-CB 4.08Å; N357-L363 HydrophobicContact CB-CD2 4.45Å; N357-L363 WeakPolarHBondContact CB-O 3.31Å; N357-L363 PolarHBondContact N-O 2.85Å; N357-W398 HydrophobicContact CB-CD2 3.9Å; N357-W398 HydrophobicContact CB-CE3 4.27Å; N357-W398 HydrophobicContact CB-CG 4.07Å; N357-A403 PolarHBondContact ND2-O 2.66Å
358	P	93.4	Very high	90.7	Very high	27 Å²	27	29.4 Å²	29.4	18%	0.175	16%	0.155	C	C	.	.	S	Bend	trans	-68.1	-23.6	179.6	26.4	-35.2	0	0	0	114.5	W318 W398 P400	W318-P358 HydrophobicContact CD2-CB 3.98Å; W318-P358 HydrophobicContact CE3-CB 4.39Å; W318-P358 HydrophobicContact CG-CB 4.47Å; W318-P358 HydrophobicContact CH2-CB 4.26Å; W318-P358 HydrophobicContact CZ2-CB 3.84Å; P358-W398 HydrophobicContact CG-CB 4.46Å; P358-P400 HydrophobicContact CG-CB 4.14Å
359	I	95.5	Very high	91.8	Very high	63 Å²	63	28.3 Å²	28.3	32%	0.323	16%	0.155	S	C	.	.	S	Bend	trans	-98.1	-62.4	-176.7	-61.4	162.6	0	0	0	110.5	N357 T361 P400 A403	N357-I359 VanDerWaalsContact C-N 3.3Å; N357-I359 PolarHBondContact O-N 3.3Å; N357-I359 PolarHBondContact OD1-N 3.26Å; I359-T361 PolarHBondContact O-N 3.39Å; I359-P400 WeakPolarHBondContact CD1-O 3.26Å; I359-A403 HydrophobicContact CB-CB 3.74Å; I359-A403 HydrophobicContact CD1-CB 4Å; I359-A403 HydrophobicContact CG1-CB 4.5Å; I359-A403 HydrophobicContact CG2-CB 3.74Å
360	E	94.8	Very high	93	Very high	100 Å²	100	26.3 Å²	26.3	47%	0.467	14%	0.144	S	C	.	.	S	Bend	trans	-88.5	78.3	176.3	-71.3	-63.7	162.4	0	0	109.1	N357 F362 L363 A403	N357-E360 WeakPolarHBondContact CB-O 3.13Å; N357-E360 PolarHBondContact OD1-N 2.96Å; E360-F362 PolarHBondContact O-N 2.8Å; E360-L363 HydrophobicContact CB-CB 4.42Å; E360-L363 WeakPolarHBondContact O-CB 3.3Å; E360-L363 PolarHBondContact O-N 3.03Å; E360-A403 HydrophobicContact CG-CB 3.88Å
361	T	93.4	Very high	93.3	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.031	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-27.6	-160.8	63.8	0	0	0	0	114.7	H317 W318 K319 F356 N357 I359 L363	H317-T361 PolarHBondContact CD2-O 2.93Å; H317-T361 PolarHBondContact CE1-OG1 3.42Å; H317-T361 VanDerWaalsContact CE1-OG1 3.31Å; H317-T361 WeakPolarHBondContact NE2-CB 3.39Å; H317-T361 PolarHBondContact NE2-O 2.97Å; H317-T361 PolarHBondContact NE2-OG1 3.44Å; W318-T361 HydrophobicContact CB-CG2 4Å; K319-T361 HydrophobicContact CD-CG2 3.94Å; K319-T361 HydrophobicContact CG-CG2 4.2Å; F356-T361 WeakPolarHBondContact CD1-O 3.41Å; N357-T361 WeakPolarHBondContact O-CA 3.39Å; I359-T361 PolarHBondContact O-N 3.39Å; T361-L363 PolarHBondContact O-N 2.9Å
362	F	93.7	Very high	93.3	Very high	56 Å²	56	28.9 Å²	28.9	25%	0.246	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-6.1	175.3	-61	-79.8	0	0	0	114.5	E320 E360 M378 R379	E320-F362 WeakPolarHBondContact OE1-CZ 3.31Å; E360-F362 PolarHBondContact O-N 2.8Å; F362-M378 HydrophobicContact CB-CB 4.16Å; F362-M378 HydrophobicContact CB-CG 4.46Å; F362-M378 HydrophobicContact CD1-CB 4.09Å; F362-M378 WeakPolarHBondContact O-CB 3.4Å; F362-M378 WeakPolarHBondContact O-CG 3.29Å; F362-M378 PolarHBondContact O-N 3.37Å; F362-R379 HydrophobicContact CB-CG 4.33Å; F362-R379 HydrophobicContact CD1-CG 4.38Å; F362-R379 HydrophobicContact CG-CG 4.35Å
363	L	94.8	Very high	93.5	Very high	10 Å²	10	27 Å²	27	5%	0.052	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	133.3	176.1	-168.2	79.9	0	0	0	110.4	N357 E360 T361 L384 W398 M420	N357-L363 HydrophobicContact CB-CB 4.08Å; N357-L363 HydrophobicContact CB-CD2 4.45Å; N357-L363 WeakPolarHBondContact CB-O 3.31Å; N357-L363 PolarHBondContact N-O 2.85Å; E360-L363 HydrophobicContact CB-CB 4.42Å; E360-L363 WeakPolarHBondContact O-CB 3.3Å; E360-L363 PolarHBondContact O-N 3.03Å; T361-L363 PolarHBondContact O-N 2.9Å; L363-L384 HydrophobicContact CD1-CD1 3.85Å; L363-W398 HydrophobicContact CD2-CH2 3.32Å; L363-W398 HydrophobicContact CD2-CZ2 3.91Å; L363-W398 HydrophobicContact CD2-CZ3 3.69Å; L363-W398 HydrophobicContact CG-CH2 4.15Å; L363-W398 HydrophobicContact CG-CZ2 4.32Å; L363-M420 HydrophobicContact CD1-CE 3.66Å; L363-M420 HydrophobicContact CD2-CE 3.44Å; L363-M420 VanDerWaalsContact CD2-CE 3.44Å; L363-M420 HydrophobicContact CD2-SD 3.65Å; L363-M420 HydrophobicContact CG-CE 4.22Å
364	L	94.5	Very high	93.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	150.8	171.1	67.1	115.2	0	0	0	111.7	V330 V354 K355 F356 Y376 M378	V330-L364 HydrophobicContact CG1-CD1 3.94Å; V354-L364 HydrophobicContact CG1-CD1 3.98Å; K355-L364 WeakPolarHBondContact O-CA 3.24Å; F356-L364 HydrophobicContact CD1-CB 3.98Å; F356-L364 HydrophobicContact CE1-CB 4.17Å; F356-L364 HydrophobicContact CE1-CD2 4.06Å; L364-Y376 HydrophobicContact CD1-CD2 3.4Å; L364-Y376 HydrophobicContact CD1-CE2 4.08Å; L364-Y376 HydrophobicContact CD1-CG 3.84Å; L364-Y376 HydrophobicContact CG-CD2 4.03Å; L364-Y376 HydrophobicContact CG-CG 4.24Å; L364-Y376 PolarHBondContact N-O 3.1Å; L364-Y376 PolarHBondContact O-N 2.85Å; L364-M378 HydrophobicContact CD2-CG 3.92Å; L364-M378 HydrophobicContact CD2-SD 3.47Å; L364-M378 WeakPolarHBondContact CD2-SD 3.41Å
365	G	94.5	Very high	93.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.1	172.7	0	0	0	0	0	110.1	V354 K355 V374	V354-G365 WeakPolarHBondContact CA-O 3.24Å; K355-G365 PolarHBondContact N-O 3.36Å; K355-G365 PolarHBondContact O-N 3Å; G365-V374 WeakPolarHBondContact CA-O 3.47Å
366	S	93.9	Very high	93.4	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.007	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	151.5	172.2	88.6	0	0	0	0	112.2	S353 I373 V374 Y376 I396	S353-S366 CarbonylContact O-C 3.58Å; S353-S366 WeakPolarHBondContact O-CA 3.39Å; S353-S366 WeakPolarHBondContact O-CB 3.46Å; S366-I373 WeakPolarHBondContact O-CA 3.48Å; S366-V374 PolarHBondContact N-O 3.35Å; S366-V374 PolarHBondContact O-N 3.08Å; S366-Y376 VanDerWaalsContact OG-CE2 3.31Å; S366-Y376 WeakPolarHBondContact OG-CE2 3.27Å; S366-Y376 PolarHBondContact OG-OH 2.76Å; S366-Y376 VanDerWaalsContact OG-OH 3.07Å; S366-I396 WeakPolarHBondContact O-CD1 3.28Å
367	C	93.5	Very high	93.2	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	130.5	167.7	-73.7	0	0	0	0	109.3	I351 S352 S353 T393 T395 I396	I351-C367 CarbonylContact C-O 3.38Å; I351-C367 WeakPolarHBondContact CA-O 3.37Å; I351-C367 WeakPolarHBondContact CG2-O 3.46Å; S352-C367 PolarHBondContact N-O 2.89Å; S352-C367 WeakPolarHBondContact OG-CB 3.06Å; S352-C367 PolarHBondContact OG-O 2.83Å; S353-C367 PolarHBondContact O-N 2.89Å; C367-T393 WeakPolarHBondContact CB-O 3.33Å; C367-T395 VanDerWaalsContact SG-C 3.56Å; C367-I396 WeakPolarHBondContact SG-CD1 3.35Å; C367-I396 VanDerWaalsContact SG-CG1 3.53Å
368	A	91.6	Very high	92.9	Very high	2 Å²	2	27 Å²	27	2%	0.017	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	149.2	167	0	0	0	0	0	111.6	D370 R371 N372	A368-D370 PolarHBondContact O-N 2.91Å; A368-R371 PolarHBondContact O-N 3.02Å; A368-N372 HydrophobicContact CB-CB 3.98Å; A368-N372 PolarHBondContact N-O 3.21Å
369	S	88.3	Confident	92.8	Very high	40 Å²	40	33.3 Å²	33.3	28%	0.28	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-33.4	173.4	-163.1	0	0	0	0	111.6	S350 R371 R392	S350-S369 PolarHBondContact O-N 3.38Å; S350-S369 VanDerWaalsContact OG-CB 3.29Å; S350-S369 WeakPolarHBondContact OG-CB 3.33Å; S369-R371 PolarHBondContact O-N 2.88Å; S369-R392 VanDerWaalsContact O-CB 3.23Å; S369-R392 WeakPolarHBondContact O-CB 3.43Å
370	D	87	Confident	92.5	Very high	75 Å²	75	34.7 Å²	34.7	40%	0.401	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	28.7	178.6	-61	-34.8	0	0	0	114.7	F348 A368 N372	F348-D370 HydrophobicContact CD1-CB 4.4Å; F348-D370 WeakPolarHBondContact CD1-OD2 3.48Å; A368-D370 PolarHBondContact O-N 2.91Å; D370-N372 WeakPolarHBondContact CB-ND2 3.27Å; D370-N372 VanDerWaalsContact O-CG 3.28Å; D370-N372 PolarHBondContact O-N 2.84Å; D370-N372 PolarHBondContact O-ND2 2.95Å; D370-N372 PolarHBondContact O-OD1 2.73Å
371	R	91.6	Very high	92	Very high	107 Å²	107	33.7 Å²	33.7	40%	0.404	17%	0.168	S	C	.	.	S	Bend	trans	64.9	20.2	176.4	-40.1	172	-76.1	169.6	-0.3	115.3	A368 S369 L389 D390 R392	A368-R371 PolarHBondContact O-N 3.02Å; S369-R371 PolarHBondContact O-N 2.88Å; R371-L389 WeakPolarHBondContact CB-O 3.35Å; R371-L389 PolarHBondContact O-N 3.4Å; R371-D390 WeakPolarHBondContact CD-O 3.47Å; R371-D390 PolarHBondContact NH1-O 2.74Å; R371-R392 HydrophobicContact CG-CB 4.14Å
372	N	91.7	Very high	91.7	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	134.3	-177.1	-49.8	-52.8	0	0	0	110.4	A368 D370 V374 K386 V387	A368-N372 HydrophobicContact CB-CB 3.98Å; A368-N372 PolarHBondContact N-O 3.21Å; D370-N372 WeakPolarHBondContact CB-ND2 3.27Å; D370-N372 VanDerWaalsContact O-CG 3.28Å; D370-N372 PolarHBondContact O-N 2.84Å; D370-N372 PolarHBondContact O-ND2 2.95Å; D370-N372 PolarHBondContact O-OD1 2.73Å; N372-V374 HydrophobicContact CB-CG2 4.28Å; N372-K386 HydrophobicContact CB-CD 4.27Å; N372-K386 HydrophobicContact CB-CG 4.31Å; N372-K386 PolarHBondContact ND2-NZ 2.96Å; N372-K386 WeakPolarHBondContact OD1-CE 3.33Å; N372-K386 PolarHBondContact OD1-NZ 3.01Å; N372-K386 VanDerWaalsContact OD1-NZ 3.07Å; N372-V387 CarbonylContact C-O 3.55Å; N372-V387 VanDerWaalsContact CA-O 3.23Å; N372-V387 WeakPolarHBondContact CA-O 3.31Å
373	I	94.1	Very high	91.5	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	126.1	158.2	-63.2	163	0	0	0	106.3	S366 K386 V387 L389 T393 I396 F406 A408 F418	S366-I373 WeakPolarHBondContact O-CA 3.48Å; I373-K386 CarbonylContact O-C 3.47Å; I373-K386 VanDerWaalsContact O-CA 3.32Å; I373-K386 WeakPolarHBondContact O-CA 3.4Å; I373-V387 HydrophobicContact CB-CB 4.29Å; I373-V387 PolarHBondContact N-O 2.77Å; I373-V387 PolarHBondContact O-N 3.04Å; I373-L389 HydrophobicContact CD1-CD1 3.93Å; I373-L389 HydrophobicContact CD1-CG 4.5Å; I373-T393 HydrophobicContact CD1-CG2 4.09Å; I373-T393 HydrophobicContact CG1-CG2 4.01Å; I373-I396 HydrophobicContact CB-CD1 4.42Å; I373-I396 HydrophobicContact CG1-CD1 4.25Å; I373-I396 HydrophobicContact CG2-CD1 3.65Å; I373-F406 HydrophobicContact CD1-CE2 4.31Å; I373-F406 HydrophobicContact CG2-CE2 4Å; I373-F406 HydrophobicContact CG2-CZ 4.07Å; I373-A408 HydrophobicContact CD1-CB 3.73Å; I373-F418 HydrophobicContact CD1-CD2 4.22Å; I373-F418 HydrophobicContact CD1-CE2 3.83Å
374	V	93.7	Very high	91.3	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.018	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	135	177.5	-171.3	0	0	0	0	109.3	W346 G365 S366 N372 Y376 P383 K385 K386	W346-V374 HydrophobicContact CE3-CG1 3.86Å; W346-V374 HydrophobicContact CZ3-CG1 4.38Å; G365-V374 WeakPolarHBondContact CA-O 3.47Å; S366-V374 PolarHBondContact N-O 3.35Å; S366-V374 PolarHBondContact O-N 3.08Å; N372-V374 HydrophobicContact CB-CG2 4.28Å; V374-Y376 HydrophobicContact CB-CE2 3.68Å; V374-Y376 HydrophobicContact CG1-CD2 4.22Å; V374-Y376 HydrophobicContact CG1-CE1 4.01Å; V374-Y376 HydrophobicContact CG1-CE2 3.56Å; V374-Y376 VanDerWaalsContact CG1-CZ 3.45Å; V374-Y376 WeakPolarHBondContact O-CE2 3.47Å; V374-P383 HydrophobicContact CG1-CB 4.19Å; V374-K385 WeakPolarHBondContact CA-O 3.41Å; V374-K386 HydrophobicContact CG2-CB 4.28Å; V374-K386 HydrophobicContact CG2-CD 4.49Å; V374-K386 HydrophobicContact CG2-CG 4.34Å
375	L	94.6	Very high	91.1	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	142.3	174.1	-58.4	-176.6	0	0	0	109.5	L384 K385 W398 F406 M420 L423	L375-L384 HydrophobicContact CB-CB 4.48Å; L375-L384 WeakPolarHBondContact O-CB 3.07Å; L375-L384 PolarHBondContact O-N 2.73Å; L375-K385 PolarHBondContact N-O 2.95Å; L375-K385 PolarHBondContact O-N 2.92Å; L375-W398 HydrophobicContact CD2-CH2 3.86Å; L375-W398 HydrophobicContact CD2-CZ2 3.98Å; L375-F406 HydrophobicContact CD1-CE1 4.46Å; L375-F406 HydrophobicContact CD2-CE1 4.27Å; L375-F406 HydrophobicContact CD2-CZ 4.38Å; L375-M420 HydrophobicContact CD1-CB 3.87Å; L375-L423 HydrophobicContact CD1-CD1 4.03Å
376	Y	93.3	Very high	91	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.016	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	148.2	178.6	-39.5	-119.2	0	0	0	109.3	V330 M344 L364 S366 V374 P383	V330-Y376 HydrophobicContact CB-CE1 4.31Å; V330-Y376 HydrophobicContact CG2-CE1 4.02Å; V330-Y376 HydrophobicContact CG2-CE2 4Å; V330-Y376 WeakPolarHBondContact CG2-OH 3.19Å; M344-Y376 HydrophobicContact CB-CD1 3.73Å; M344-Y376 HydrophobicContact CB-CE1 3.77Å; M344-Y376 HydrophobicContact CG-CD1 4.17Å; M344-Y376 HydrophobicContact SD-CD1 3.47Å; M344-Y376 WeakPolarHBondContact SD-CD1 3.23Å; M344-Y376 HydrophobicContact SD-CE1 4.4Å; M344-Y376 HydrophobicContact SD-CG 3.99Å; L364-Y376 HydrophobicContact CD1-CD2 3.4Å; L364-Y376 HydrophobicContact CD1-CE2 4.08Å; L364-Y376 HydrophobicContact CD1-CG 3.84Å; L364-Y376 HydrophobicContact CG-CD2 4.03Å; L364-Y376 HydrophobicContact CG-CG 4.24Å; L364-Y376 PolarHBondContact N-O 3.1Å; L364-Y376 PolarHBondContact O-N 2.85Å; S366-Y376 VanDerWaalsContact OG-CE2 3.31Å; S366-Y376 WeakPolarHBondContact OG-CE2 3.27Å; S366-Y376 PolarHBondContact OG-OH 2.76Å; S366-Y376 VanDerWaalsContact OG-OH 3.07Å; V374-Y376 HydrophobicContact CB-CE2 3.68Å; V374-Y376 HydrophobicContact CG1-CD2 4.22Å; V374-Y376 HydrophobicContact CG1-CE1 4.01Å; V374-Y376 HydrophobicContact CG1-CE2 3.56Å; V374-Y376 VanDerWaalsContact CG1-CZ 3.45Å; V374-Y376 WeakPolarHBondContact O-CE2 3.47Å; Y376-P383 HydrophobicContact CD1-CB 3.49Å; Y376-P383 VanDerWaalsContact CD1-CB 3.49Å; Y376-P383 HydrophobicContact CE1-CB 3.74Å; Y376-P383 HydrophobicContact CG-CB 4.25Å
377	D	93	Very high	91	Very high	24 Å²	24	41.3 Å²	41.3	13%	0.128	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	122.7	168.1	179.4	-6.4	0	0	0	107.6	R379 Q380 L384	D377-R379 PolarHBondContact O-N 3.44Å; D377-R379 VanDerWaalsContact OD1-CB 3.28Å; D377-R379 WeakPolarHBondContact OD1-CB 3.46Å; D377-R379 WeakPolarHBondContact OD1-CD 3.31Å; D377-R379 VanDerWaalsContact OD1-CG 3.24Å; D377-R379 WeakPolarHBondContact OD1-CG 3.18Å; D377-R379 PolarHBondContact OD1-N 2.71Å; D377-Q380 PolarHBondContact O-N 3.47Å; D377-L384 HydrophobicContact CB-CD1 3.79Å; D377-L384 HydrophobicContact CB-CD2 4.22Å; D377-L384 HydrophobicContact CB-CG 3.95Å
378	M	90.8	Very high	91	Very high	40 Å²	40	42.9 Å²	42.9	20%	0.197	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-23.6	177.9	-64.1	-74.9	-65.5	0	0	113.4	V322 I332 F356 F362 L364 Q380	V322-M378 HydrophobicContact CG1-CE 3.44Å; V322-M378 VanDerWaalsContact CG1-CE 3.44Å; I332-M378 HydrophobicContact CB-CE 4.33Å; I332-M378 HydrophobicContact CD1-CE 4.01Å; I332-M378 HydrophobicContact CD1-SD 3.39Å; I332-M378 WeakPolarHBondContact CD1-SD 3.43Å; I332-M378 HydrophobicContact CG1-CE 4.02Å; I332-M378 HydrophobicContact CG1-SD 3.65Å; I332-M378 HydrophobicContact CG2-CE 3.37Å; I332-M378 HydrophobicContact CG2-SD 4.19Å; F356-M378 HydrophobicContact CE1-CE 4.42Å; F356-M378 HydrophobicContact CE1-CG 4.08Å; F356-M378 HydrophobicContact CE1-SD 3.78Å; F356-M378 HydrophobicContact CZ-CE 4.46Å; F356-M378 HydrophobicContact CZ-SD 4.1Å; F362-M378 HydrophobicContact CB-CB 4.16Å; F362-M378 HydrophobicContact CB-CG 4.46Å; F362-M378 HydrophobicContact CD1-CB 4.09Å; F362-M378 WeakPolarHBondContact O-CB 3.4Å; F362-M378 WeakPolarHBondContact O-CG 3.29Å; F362-M378 PolarHBondContact O-N 3.37Å; L364-M378 HydrophobicContact CD2-CG 3.92Å; L364-M378 HydrophobicContact CD2-SD 3.47Å; L364-M378 WeakPolarHBondContact CD2-SD 3.41Å; M378-Q380 VanDerWaalsContact C-N 3.31Å
379	R	91.1	Very high	91.1	Very high	161 Å²	161	42.8 Å²	42.8	61%	0.608	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-16	-179.7	-59	163.8	179.6	161.9	-2.2	113.2	F362 D377	F362-R379 HydrophobicContact CB-CG 4.33Å; F362-R379 HydrophobicContact CD1-CG 4.38Å; F362-R379 HydrophobicContact CG-CG 4.35Å; D377-R379 PolarHBondContact O-N 3.44Å; D377-R379 VanDerWaalsContact OD1-CB 3.28Å; D377-R379 WeakPolarHBondContact OD1-CB 3.46Å; D377-R379 WeakPolarHBondContact OD1-CD 3.31Å; D377-R379 VanDerWaalsContact OD1-CG 3.24Å; D377-R379 WeakPolarHBondContact OD1-CG 3.18Å; D377-R379 PolarHBondContact OD1-N 2.71Å
380	Q	89	Confident	91.3	Very high	92 Å²	92	43.5 Å²	43.5	43%	0.43	22%	0.22	S	C	.	.	S	Bend	trans	-115.5	139.7	179.2	-59	-173.7	6.3	0	0	108.7	M344 D377 M378 T382	M344-Q380 WeakPolarHBondContact CE-O 3.37Å; D377-Q380 PolarHBondContact O-N 3.47Å; M378-Q380 VanDerWaalsContact C-N 3.31Å; Q380-T382 PolarHBondContact O-N 3.08Å
381	A	84.2	Confident	91.6	Very high	78 Å²	78	44 Å²	44	65%	0.645	22%	0.221	S	C	*	.	S	Bend	trans	-72.5	-19	173.8	0	0	0	0	0	112.5
382	T	86.8	Confident	91.7	Very high	86 Å²	86	43.7 Å²	43.7	53%	0.528	22%	0.219	S	C	.	.	S	Bend	trans	-93.1	139.9	177.9	48.6	0	0	0	0	111.5	Q380	Q380-T382 PolarHBondContact O-N 3.08Å
383	P	89.8	Confident	91.9	Very high	22 Å²	22	43.5 Å²	43.5	14%	0.143	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	152.7	168.7	29.9	-37.8	0	0	0	111.7	W346 V374 Y376	W346-P383 HydrophobicContact CD2-CG 3.9Å; W346-P383 HydrophobicContact CE3-CB 3.41Å; W346-P383 VanDerWaalsContact CE3-CB 3.41Å; W346-P383 HydrophobicContact CE3-CG 3.15Å; W346-P383 HydrophobicContact CH2-CG 4.34Å; W346-P383 HydrophobicContact CZ3-CB 3.49Å; W346-P383 VanDerWaalsContact CZ3-CB 3.49Å; W346-P383 HydrophobicContact CZ3-CG 3.42Å; W346-P383 VanDerWaalsContact CZ3-CG 3.42Å; V374-P383 HydrophobicContact CG1-CB 4.19Å; Y376-P383 HydrophobicContact CD1-CB 3.49Å; Y376-P383 VanDerWaalsContact CD1-CB 3.49Å; Y376-P383 HydrophobicContact CE1-CB 3.74Å; Y376-P383 HydrophobicContact CG-CB 4.25Å
384	L	90.3	Very high	91.9	Very high	48 Å²	48	44.5 Å²	44.5	25%	0.251	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-57.1	-170.6	-77.4	-179.5	0	0	0	114.5	L363 L375 D377	L363-L384 HydrophobicContact CD1-CD1 3.85Å; L375-L384 HydrophobicContact CB-CB 4.48Å; L375-L384 WeakPolarHBondContact O-CB 3.07Å; L375-L384 PolarHBondContact O-N 2.73Å; D377-L384 HydrophobicContact CB-CD1 3.79Å; D377-L384 HydrophobicContact CB-CD2 4.22Å; D377-L384 HydrophobicContact CB-CG 3.95Å
385	K	90.8	Very high	92	Very high	63 Å²	63	45.6 Å²	45.6	27%	0.274	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	154.2	-171.1	-69.8	-172.2	-172.6	170.2	0	110.3	V374 L375 L423	V374-K385 WeakPolarHBondContact CA-O 3.41Å; L375-K385 PolarHBondContact N-O 2.95Å; L375-K385 PolarHBondContact O-N 2.92Å; K385-L423 HydrophobicContact CB-CD1 4.09Å; K385-L423 HydrophobicContact CD-CD1 3.81Å
386	K	91.3	Very high	92.1	Very high	13 Å²	13	45.6 Å²	45.6	6%	0.057	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	136.7	177.9	160.5	176.4	164.7	163.3	0	111.6	W346 F348 N372 I373 V374 I388 V595 V596	W346-K386 HydrophobicContact CE3-CB 4.47Å; F348-K386 HydrophobicContact CE2-CD 4.25Å; F348-K386 VanDerWaalsContact CE2-NZ 3.26Å; N372-K386 HydrophobicContact CB-CD 4.27Å; N372-K386 HydrophobicContact CB-CG 4.31Å; N372-K386 PolarHBondContact ND2-NZ 2.96Å; N372-K386 WeakPolarHBondContact OD1-CE 3.33Å; N372-K386 PolarHBondContact OD1-NZ 3.01Å; N372-K386 VanDerWaalsContact OD1-NZ 3.07Å; I373-K386 CarbonylContact O-C 3.47Å; I373-K386 VanDerWaalsContact O-CA 3.32Å; I373-K386 WeakPolarHBondContact O-CA 3.4Å; V374-K386 HydrophobicContact CG2-CB 4.28Å; V374-K386 HydrophobicContact CG2-CD 4.49Å; V374-K386 HydrophobicContact CG2-CG 4.34Å; K386-I388 HydrophobicContact CG-CG1 4.44Å; K386-V595 CarbonylContact O-C 3.58Å; K386-V595 WeakPolarHBondContact O-CA 3.35Å; K386-V596 HydrophobicContact CB-CB 4.21Å; K386-V596 HydrophobicContact CG-CB 4.49Å; K386-V596 PolarHBondContact N-O 3.45Å; K386-V596 PolarHBondContact O-N 3.34Å
387	V	93.8	Very high	92.2	Very high	1 Å²	1	46 Å²	46	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	134.3	172.3	-170.1	0	0	0	0	108.8	N372 I373 L389 L423 V592 V595	N372-V387 CarbonylContact C-O 3.55Å; N372-V387 VanDerWaalsContact CA-O 3.23Å; N372-V387 WeakPolarHBondContact CA-O 3.31Å; I373-V387 HydrophobicContact CB-CB 4.29Å; I373-V387 PolarHBondContact N-O 2.77Å; I373-V387 PolarHBondContact O-N 3.04Å; V387-L389 HydrophobicContact CG1-CD2 3.78Å; V387-L423 HydrophobicContact CG2-CB 3.65Å; V387-L423 HydrophobicContact CG2-CD1 3.74Å; V387-L423 HydrophobicContact CG2-CD2 3.86Å; V387-L423 HydrophobicContact CG2-CG 3.94Å; V387-V592 HydrophobicContact CG1-CG1 3.99Å; V387-V595 HydrophobicContact CG1-CG2 4.28Å; V387-V595 HydrophobicContact CG2-CG2 4.43Å
388	I	93.8	Very high	92.4	Very high	33 Å²	33	45.3 Å²	45.3	17%	0.169	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	123.8	175.2	-46.4	-171.9	0	0	0	108.4	K386 V593 A594	K386-I388 HydrophobicContact CG-CG1 4.44Å; I388-V593 HydrophobicContact CB-CB 4.36Å; I388-V593 HydrophobicContact CG2-CB 4.29Å; I388-V593 PolarHBondContact O-N 3.1Å; I388-A594 HydrophobicContact CD1-CB 4.33Å; I388-A594 HydrophobicContact CG1-CB 4.45Å; I388-A594 PolarHBondContact N-O 3.46Å; I388-A594 PolarHBondContact O-N 3.22Å
389	L	93.9	Very high	92.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	169.2	177.1	-55.9	-172.7	0	0	0	112.2	R371 I373 V387 T393 N410 Y416 F418 H591 V592	R371-L389 WeakPolarHBondContact CB-O 3.35Å; R371-L389 PolarHBondContact O-N 3.4Å; I373-L389 HydrophobicContact CD1-CD1 3.93Å; I373-L389 HydrophobicContact CD1-CG 4.5Å; V387-L389 HydrophobicContact CG1-CD2 3.78Å; L389-T393 HydrophobicContact CD1-CG2 3.67Å; L389-N410 WeakPolarHBondContact CD1-ND2 3.21Å; L389-Y416 HydrophobicContact CD1-CD2 4.1Å; L389-F418 HydrophobicContact CD1-CE2 4.41Å; L389-F418 HydrophobicContact CD2-CZ 3.9Å; L389-H591 WeakPolarHBondContact CA-O 3.41Å; L389-H591 WeakPolarHBondContact CD2-O 3.47Å; L389-V592 HydrophobicContact CD2-CB 4.43Å; L389-V592 HydrophobicContact CD2-CG2 3.9Å
390	D	92.6	Very high	92.9	Very high	55 Å²	55	37.6 Å²	37.6	29%	0.294	20%	0.203	S	C	.	.	S	Bend	trans	-57.6	-47.5	176.8	-76.7	-19.5	0	0	0	112.4	R371 H591	R371-D390 WeakPolarHBondContact CD-O 3.47Å; R371-D390 PolarHBondContact NH1-O 2.74Å; D390-H591 PolarHBondContact N-O 2.76Å; D390-H591 WeakPolarHBondContact OD2-CA 3.26Å; D390-H591 IonicContact OD2-CE1 3.13Å; D390-H591 IonicContact OD2-CG 3.79Å; D390-H591 IonicContact OD2-ND1 3.05Å; D390-H591 PolarHBondContact OD2-ND1 2.9Å
391	M	94	Very high	93.2	Very high	85 Å²	85	39.3 Å²	39.3	42%	0.419	21%	0.213	S	C	.	.	S	Bend	trans	-129	167.7	-177.9	-67.7	-62.5	-67.6	0	0	111.9	N410 D412	M391-N410 WeakPolarHBondContact CB-OD1 3.41Å; M391-N410 PolarHBondContact O-ND2 3.08Å; M391-N410 PolarHBondContact O-OD1 3.24Å; M391-D412 VanDerWaalsContact CG-OD1 3.24Å; M391-D412 WeakPolarHBondContact CG-OD1 3.49Å
392	R	93.4	Very high	93.7	Very high	100 Å²	100	39.4 Å²	39.4	38%	0.377	20%	0.2	S	C	.	.			trans	-74.8	144.9	-169	72.4	179.8	177.1	145.8	13.3	113.8	S369 R371 N410 E411	S369-R392 VanDerWaalsContact O-CB 3.23Å; S369-R392 WeakPolarHBondContact O-CB 3.43Å; R371-R392 HydrophobicContact CG-CB 4.14Å; R392-N410 PolarHBondContact O-OD1 2.83Å; R392-N410 VanDerWaalsContact O-OD1 3.09Å; R392-E411 HydrophobicContact CG-CB 4.5Å; R392-E411 HydrophobicContact CG-CG 3.77Å; R392-E411 VanDerWaalsContact CG-OE2 3.24Å; R392-E411 WeakPolarHBondContact CG-OE2 3.38Å; R392-E411 IonicContact CZ-OE1 2.99Å; R392-E411 VanDerWaalsContact CZ-OE1 3.31Å; R392-E411 IonicContact CZ-OE2 3.5Å; R392-E411 IonicContact NE-OE1 2.7Å; R392-E411 PolarHBondContact NE-OE1 3.07Å; R392-E411 VanDerWaalsContact NE-OE1 3.1Å; R392-E411 IonicContact NE-OE2 3.56Å; R392-E411 PolarHBondContact NE-OE2 3.05Å; R392-E411 IonicContact NH2-OE1 3.73Å; R392-E411 PolarHBondContact NH2-OE1 3.23Å; R392-E411 IonicContact NH2-OE2 2.58Å; R392-E411 PolarHBondContact O-N 3.33Å
393	T	94.9	Very high	94.1	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	127.1	175.1	45.5	0	0	0	0	110	S352 C367 I373 L389 A408 A409 N410	S352-T393 PolarHBondContact OG-O 3.07Å; C367-T393 WeakPolarHBondContact CB-O 3.33Å; I373-T393 HydrophobicContact CD1-CG2 4.09Å; I373-T393 HydrophobicContact CG1-CG2 4.01Å; L389-T393 HydrophobicContact CD1-CG2 3.67Å; T393-A408 HydrophobicContact CG2-CB 4.11Å; T393-A409 CarbonylContact C-O 3.52Å; T393-A409 WeakPolarHBondContact CA-O 3.39Å; T393-N410 HydrophobicContact CG2-CB 4.34Å
394	N	94.9	Very high	94.3	Very high	22 Å²	22	38 Å²	38	12%	0.118	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-51.2	-178.9	-67.8	-39.1	0	0	0	110.4	S352 S353 A409 V437 L438	S352-N394 PolarHBondContact OG-O 2.83Å; S353-N394 PolarHBondContact OG-O 3.27Å; N394-A409 PolarHBondContact N-O 3.49Å; N394-V437 PolarHBondContact ND2-O 3.23Å; N394-L438 WeakPolarHBondContact CB-O 3.37Å
395	T	95.7	Very high	94.6	Very high	25 Å²	25	36.6 Å²	36.6	15%	0.153	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	154.1	-174.8	50	0	0	0	0	112.6	S353 C367 A408 A409 L438 D439	S353-T395 WeakPolarHBondContact OG-CA 3.49Å; C367-T395 VanDerWaalsContact SG-C 3.56Å; T395-A408 WeakPolarHBondContact O-CA 3.38Å; T395-A409 PolarHBondContact O-N 2.96Å; T395-A409 WeakPolarHBondContact OG1-CB 3.43Å; T395-L438 WeakPolarHBondContact CG2-O 3.43Å; T395-L438 PolarHBondContact OG1-O 2.87Å; T395-D439 WeakPolarHBondContact OG1-CA 3.4Å
396	I	96.1	Very high	94.9	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.021	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	147.6	168.6	-76.5	153.9	0	0	0	108.1	K355 S366 C367 I373 F406 T407 A408	K355-I396 WeakPolarHBondContact CG-O 3.33Å; S366-I396 WeakPolarHBondContact O-CD1 3.28Å; C367-I396 WeakPolarHBondContact SG-CD1 3.35Å; C367-I396 VanDerWaalsContact SG-CG1 3.53Å; I373-I396 HydrophobicContact CB-CD1 4.42Å; I373-I396 HydrophobicContact CG1-CD1 4.25Å; I373-I396 HydrophobicContact CG2-CD1 3.65Å; I396-F406 HydrophobicContact CG1-CD2 4.33Å; I396-F406 HydrophobicContact CG1-CE2 4.49Å; I396-F406 HydrophobicContact CG2-CB 4.16Å; I396-F406 HydrophobicContact CG2-CD2 3.81Å; I396-F406 HydrophobicContact CG2-CG 4.26Å; I396-T407 WeakPolarHBondContact CA-O 3.45Å; I396-A408 HydrophobicContact CG1-CB 4.11Å
397	C	97.1	Very high	95.1	Very high	14 Å²	14	33 Å²	33	10%	0.095	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	131.6	165.1	-167.1	0	0	0	0	110	F406 T407 V440 Y442	C397-F406 CarbonylContact O-C 3.54Å; C397-F406 WeakPolarHBondContact O-CA 3.47Å; C397-F406 WeakPolarHBondContact O-CB 3.29Å; C397-T407 PolarHBondContact N-O 2.88Å; C397-T407 PolarHBondContact O-N 3Å; C397-V440 HydrophobicContact CB-CB 4.29Å; C397-V440 HydrophobicContact CB-CG1 3.9Å; C397-V440 WeakPolarHBondContact CB-O 3.45Å; C397-Y442 HydrophobicContact CB-CD2 4Å; C397-Y442 WeakPolarHBondContact O-CE2 3.44Å; C397-Y442 PolarHBondContact SG-N 2.83Å
398	W	97.3	Very high	95.3	Very high	8 Å²	8	33 Å²	33	3%	0.03	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	148	176	-65.6	97.1	0	0	0	111.3	K355 F356 N357 P358 L363 L375 P400 F406 Y442	K355-W398 PolarHBondContact O-NE1 3.21Å; F356-W398 VanDerWaalsContact C-CD1 3.49Å; N357-W398 HydrophobicContact CB-CD2 3.9Å; N357-W398 HydrophobicContact CB-CE3 4.27Å; N357-W398 HydrophobicContact CB-CG 4.07Å; P358-W398 HydrophobicContact CG-CB 4.46Å; L363-W398 HydrophobicContact CD2-CH2 3.32Å; L363-W398 HydrophobicContact CD2-CZ2 3.91Å; L363-W398 HydrophobicContact CD2-CZ3 3.69Å; L363-W398 HydrophobicContact CG-CH2 4.15Å; L363-W398 HydrophobicContact CG-CZ2 4.32Å; L375-W398 HydrophobicContact CD2-CH2 3.86Å; L375-W398 HydrophobicContact CD2-CZ2 3.98Å; W398-P400 WeakPolarHBondContact O-CD 3.38Å; W398-F406 HydrophobicContact CD2-CB 3.96Å; W398-F406 HydrophobicContact CE3-CB 3.71Å; W398-F406 HydrophobicContact CE3-CD1 4.15Å; W398-F406 HydrophobicContact CE3-CG 4.33Å; W398-F406 HydrophobicContact CG-CB 4.44Å; W398-F406 AromaticContact CH2-CD1 3.79Å; W398-F406 HydrophobicContact CH2-CD1 3.79Å; W398-F406 HydrophobicContact CH2-CE1 4.31Å; W398-F406 HydrophobicContact CH2-CG 4.39Å; W398-F406 HydrophobicContact CZ3-CB 4.06Å; W398-F406 AromaticContact CZ3-CD1 3.58Å; W398-F406 HydrophobicContact CZ3-CD1 3.58Å; W398-F406 HydrophobicContact CZ3-CE1 4.44Å; W398-F406 HydrophobicContact CZ3-CG 4.17Å; W398-Y442 WeakPolarHBondContact O-CD2 3.36Å
399	N	96.9	Very high	95.4	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	16%	0.156	C	C	.	.			trans	-73.4	120.4	171.1	-173.8	-14.8	0	0	0	109.8	M401 E402 I405 Y442 G446	N399-M401 PolarHBondContact O-N 3.23Å; N399-M401 VanDerWaalsContact O-N 3.15Å; N399-M401 PolarHBondContact OD1-N 3.42Å; N399-E402 HydrophobicContact CB-CB 4.15Å; N399-E402 PolarHBondContact ND2-OE2 3.22Å; N399-E402 PolarHBondContact O-N 2.95Å; N399-I405 HydrophobicContact CB-CB 4.3Å; N399-I405 HydrophobicContact CB-CG2 4.46Å; N399-I405 WeakPolarHBondContact CB-O 3.35Å; N399-I405 PolarHBondContact N-O 2.81Å; N399-Y442 HydrophobicContact CB-CD1 4.08Å; N399-Y442 HydrophobicContact CB-CE1 3.67Å; N399-G446 PolarHBondContact ND2-O 3.46Å; N399-G446 WeakPolarHBondContact OD1-CA 3.1Å
400	P	95.1	Very high	95.5	Very high	38 Å²	38	31.4 Å²	31.4	25%	0.247	16%	0.156	C	C	.	.	S	Bend	trans	-69.7	-6.9	-179.6	29.3	-36.3	0	0	0	115.2	P358 I359 W398 Y442 S443	P358-P400 HydrophobicContact CG-CB 4.14Å; I359-P400 WeakPolarHBondContact CD1-O 3.26Å; W398-P400 WeakPolarHBondContact O-CD 3.38Å; P400-Y442 VanDerWaalsContact CD-CB 3.44Å; P400-S443 VanDerWaalsContact CG-O 3.23Å; P400-S443 WeakPolarHBondContact CG-O 3.41Å
401	M	95.1	Very high	95.6	Very high	128 Å²	128	30.8 Å²	30.8	63%	0.631	15%	0.152	S	C	*	.	S	Bend	trans	-111.5	-19.5	175	-70	-68.8	-169.7	0	0	114	N399 T445	N399-M401 PolarHBondContact O-N 3.23Å; N399-M401 VanDerWaalsContact O-N 3.15Å; N399-M401 PolarHBondContact OD1-N 3.42Å; M401-T445 WeakPolarHBondContact CG-O 3.28Å
402	E	94.6	Very high	95.6	Very high	80 Å²	80	28.5 Å²	28.5	37%	0.374	14%	0.141	S	C	.	.			trans	-128.8	94.9	-174.6	-62.5	176.4	143.5	0	0	110	N399 F404 I405	N399-E402 HydrophobicContact CB-CB 4.15Å; N399-E402 PolarHBondContact ND2-OE2 3.22Å; N399-E402 PolarHBondContact O-N 2.95Å; E402-F404 PolarHBondContact O-N 2.89Å; E402-I405 HydrophobicContact CB-CB 4.25Å; E402-I405 HydrophobicContact CB-CG1 4.34Å; E402-I405 PolarHBondContact O-N 3.18Å
403	A	94.1	Very high	95.6	Very high	17 Å²	17	28.2 Å²	28.2	14%	0.14	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-34.7	-166.9	0	0	0	0	0	115.1	N357 I359 E360	N357-A403 PolarHBondContact ND2-O 2.66Å; I359-A403 HydrophobicContact CB-CB 3.74Å; I359-A403 HydrophobicContact CD1-CB 4Å; I359-A403 HydrophobicContact CG1-CB 4.5Å; I359-A403 HydrophobicContact CG2-CB 3.74Å; E360-A403 HydrophobicContact CG-CB 3.88Å
404	F	94.4	Very high	95.7	Very high	63 Å²	63	28.5 Å²	28.5	28%	0.276	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-4.1	-175	48.7	-90.7	0	0	0	113.7	E402 D419 M420	E402-F404 PolarHBondContact O-N 2.89Å; F404-D419 WeakPolarHBondContact O-CA 3.28Å; F404-M420 HydrophobicContact CB-CG 3.71Å; F404-M420 HydrophobicContact CB-SD 3.86Å; F404-M420 PolarHBondContact O-N 2.6Å
405	I	96.3	Very high	95.7	Very high	18 Å²	18	27.5 Å²	27.5	9%	0.092	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	132.3	-178.3	-60.2	-164.7	0	0	0	111.1	N399 E402 T417 F418	N399-I405 HydrophobicContact CB-CB 4.3Å; N399-I405 HydrophobicContact CB-CG2 4.46Å; N399-I405 WeakPolarHBondContact CB-O 3.35Å; N399-I405 PolarHBondContact N-O 2.81Å; E402-I405 HydrophobicContact CB-CB 4.25Å; E402-I405 HydrophobicContact CB-CG1 4.34Å; E402-I405 PolarHBondContact O-N 3.18Å; I405-T417 HydrophobicContact CG2-CG2 3.58Å; I405-F418 WeakPolarHBondContact CA-O 3.26Å
406	F	96.9	Very high	95.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	155.7	171.7	66.9	-88.4	0	0	0	111.2	I373 L375 I396 C397 W398 T417 F418 M420 L423	I373-F406 HydrophobicContact CD1-CE2 4.31Å; I373-F406 HydrophobicContact CG2-CE2 4Å; I373-F406 HydrophobicContact CG2-CZ 4.07Å; L375-F406 HydrophobicContact CD1-CE1 4.46Å; L375-F406 HydrophobicContact CD2-CE1 4.27Å; L375-F406 HydrophobicContact CD2-CZ 4.38Å; I396-F406 HydrophobicContact CG1-CD2 4.33Å; I396-F406 HydrophobicContact CG1-CE2 4.49Å; I396-F406 HydrophobicContact CG2-CB 4.16Å; I396-F406 HydrophobicContact CG2-CD2 3.81Å; I396-F406 HydrophobicContact CG2-CG 4.26Å; C397-F406 CarbonylContact O-C 3.54Å; C397-F406 WeakPolarHBondContact O-CA 3.47Å; C397-F406 WeakPolarHBondContact O-CB 3.29Å; W398-F406 HydrophobicContact CD2-CB 3.96Å; W398-F406 HydrophobicContact CE3-CB 3.71Å; W398-F406 HydrophobicContact CE3-CD1 4.15Å; W398-F406 HydrophobicContact CE3-CG 4.33Å; W398-F406 HydrophobicContact CG-CB 4.44Å; W398-F406 AromaticContact CH2-CD1 3.79Å; W398-F406 HydrophobicContact CH2-CD1 3.79Å; W398-F406 HydrophobicContact CH2-CE1 4.31Å; W398-F406 HydrophobicContact CH2-CG 4.39Å; W398-F406 HydrophobicContact CZ3-CB 4.06Å; W398-F406 AromaticContact CZ3-CD1 3.58Å; W398-F406 HydrophobicContact CZ3-CD1 3.58Å; W398-F406 HydrophobicContact CZ3-CE1 4.44Å; W398-F406 HydrophobicContact CZ3-CG 4.17Å; F406-T417 CarbonylContact O-C 3.36Å; F406-T417 WeakPolarHBondContact O-CA 3.39Å; F406-F418 HydrophobicContact CD1-CB 4.34Å; F406-F418 HydrophobicContact CD2-CB 4.48Å; F406-F418 HydrophobicContact CE1-CB 3.8Å; F406-F418 HydrophobicContact CE2-CB 3.96Å; F406-F418 AromaticContact CE2-CD2 3.9Å; F406-F418 HydrophobicContact CE2-CD2 3.9Å; F406-F418 HydrophobicContact CE2-CG 4.32Å; F406-F418 HydrophobicContact CZ-CB 3.6Å; F406-F418 HydrophobicContact CZ-CD2 4.15Å; F406-F418 HydrophobicContact CZ-CG 4.14Å; F406-F418 PolarHBondContact N-O 3.34Å; F406-F418 VanDerWaalsContact N-O 3.13Å; F406-F418 PolarHBondContact O-N 2.96Å; F406-M420 HydrophobicContact CE1-CB 4.47Å; F406-L423 HydrophobicContact CE1-CD2 4.1Å; F406-L423 HydrophobicContact CZ-CD2 4Å
407	T	97.4	Very high	95.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129.7	173	-63.7	0	0	0	0	109.8	I396 C397 L415 Y416 T417 V440 Y442 F449	I396-T407 WeakPolarHBondContact CA-O 3.45Å; C397-T407 PolarHBondContact N-O 2.88Å; C397-T407 PolarHBondContact O-N 3Å; T407-L415 HydrophobicContact CG2-CB 3.79Å; T407-L415 HydrophobicContact CG2-CD2 3.96Å; T407-Y416 WeakPolarHBondContact CA-O 3.33Å; T407-T417 PolarHBondContact OG1-OG1 3.48Å; T407-T417 VanDerWaalsContact OG1-OG1 3.09Å; T407-V440 HydrophobicContact CG2-CG1 4.26Å; T407-Y442 PolarHBondContact OG1-OH 3.19Å; T407-F449 HydrophobicContact CG2-CE2 4.31Å; T407-F449 HydrophobicContact CG2-CZ 4.24Å
408	A	96.6	Very high	95.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.8	173	0	0	0	0	0	111.3	I373 T393 T395 I396 L415 Y416	I373-A408 HydrophobicContact CD1-CB 3.73Å; T393-A408 HydrophobicContact CG2-CB 4.11Å; T395-A408 WeakPolarHBondContact O-CA 3.38Å; I396-A408 HydrophobicContact CG1-CB 4.11Å; A408-L415 WeakPolarHBondContact O-CA 3.25Å; A408-Y416 PolarHBondContact N-O 3.44Å; A408-Y416 PolarHBondContact O-N 3.14Å
409	A	97	Very high	95.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	125.8	169.7	0	0	0	0	0	109.6	T393 N394 T395 V437 V440	T393-A409 CarbonylContact C-O 3.52Å; T393-A409 WeakPolarHBondContact CA-O 3.39Å; N394-A409 PolarHBondContact N-O 3.49Å; T395-A409 PolarHBondContact O-N 2.96Å; T395-A409 WeakPolarHBondContact OG1-CB 3.43Å; A409-V437 HydrophobicContact CB-CB 4.07Å; A409-V437 HydrophobicContact CB-CG1 3.87Å; A409-V440 HydrophobicContact CB-CG2 3.62Å
410	N	95.7	Very high	95.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	154	-179.3	-160.7	-57.5	0	0	0	111.6	L389 M391 R392 T393 D412 N414 Y416 V437	L389-N410 WeakPolarHBondContact CD1-ND2 3.21Å; M391-N410 WeakPolarHBondContact CB-OD1 3.41Å; M391-N410 PolarHBondContact O-ND2 3.08Å; M391-N410 PolarHBondContact O-OD1 3.24Å; R392-N410 PolarHBondContact O-OD1 2.83Å; R392-N410 VanDerWaalsContact O-OD1 3.09Å; T393-N410 HydrophobicContact CG2-CB 4.34Å; N410-D412 HydrophobicContact CB-CB 4.38Å; N410-D412 PolarHBondContact O-N 3.14Å; N410-D412 PolarHBondContact OD1-N 3.23Å; N410-N414 PolarHBondContact N-O 2.79Å; N410-Y416 HydrophobicContact CB-CD2 3.9Å; N410-Y416 HydrophobicContact CB-CE2 3.62Å; N410-V437 PolarHBondContact O-N 2.83Å; N410-V437 VanDerWaalsContact O-N 3.13Å
411	E	94.9	Very high	95.3	Very high	43 Å²	43	34.8 Å²	34.8	20%	0.201	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.8	170	-65.9	-155.7	137.9	0	0	114.2	R392 Y413 A436	R392-E411 HydrophobicContact CG-CB 4.5Å; R392-E411 HydrophobicContact CG-CG 3.77Å; R392-E411 VanDerWaalsContact CG-OE2 3.24Å; R392-E411 WeakPolarHBondContact CG-OE2 3.38Å; R392-E411 IonicContact CZ-OE1 2.99Å; R392-E411 VanDerWaalsContact CZ-OE1 3.31Å; R392-E411 IonicContact CZ-OE2 3.5Å; R392-E411 IonicContact NE-OE1 2.7Å; R392-E411 PolarHBondContact NE-OE1 3.07Å; R392-E411 VanDerWaalsContact NE-OE1 3.1Å; R392-E411 IonicContact NE-OE2 3.56Å; R392-E411 PolarHBondContact NE-OE2 3.05Å; R392-E411 IonicContact NH2-OE1 3.73Å; R392-E411 PolarHBondContact NH2-OE1 3.23Å; R392-E411 IonicContact NH2-OE2 2.58Å; R392-E411 PolarHBondContact O-N 3.33Å; E411-Y413 WeakPolarHBondContact O-CD1 3.3Å; E411-Y413 WeakPolarHBondContact O-CE1 3.5Å; E411-Y413 PolarHBondContact O-N 2.83Å; E411-A436 HydrophobicContact CB-CB 4.13Å; E411-A436 HydrophobicContact CG-CB 3.96Å
412	D	93.1	Very high	95.2	Very high	37 Å²	37	30.9 Å²	30.9	20%	0.198	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	9.4	171.8	-90.1	-35.6	0	0	0	115.6	M391 N410 N414	M391-D412 VanDerWaalsContact CG-OD1 3.24Å; M391-D412 WeakPolarHBondContact CG-OD1 3.49Å; N410-D412 HydrophobicContact CB-CB 4.38Å; N410-D412 PolarHBondContact O-N 3.14Å; N410-D412 PolarHBondContact OD1-N 3.23Å; D412-N414 PolarHBondContact O-N 2.91Å; D412-N414 PolarHBondContact O-ND2 3.17Å
413	Y	94.2	Very high	95.1	Very high	93 Å²	93	27.3 Å²	27.3	37%	0.365	13%	0.131	S	C	.	.	S	Bend	trans	63.1	1.3	-174.1	-29.2	-40	0	0	0	114	E411 H433 V434 S435 Q559	E411-Y413 WeakPolarHBondContact O-CD1 3.3Å; E411-Y413 WeakPolarHBondContact O-CE1 3.5Å; E411-Y413 PolarHBondContact O-N 2.83Å; Y413-H433 WeakPolarHBondContact CB-O 3.39Å; Y413-H433 WeakPolarHBondContact O-CB 3.12Å; Y413-V434 WeakPolarHBondContact CD2-O 3.5Å; Y413-V434 WeakPolarHBondContact CE2-O 3.43Å; Y413-S435 VanDerWaalsContact CD1-CA 3.42Å; Y413-S435 WeakPolarHBondContact CD1-O 3.48Å; Y413-Q559 VanDerWaalsContact CD2-NE2 3.34Å
414	N	95.5	Very high	94.9	Very high	8 Å²	8	31 Å²	31	4%	0.043	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	163.7	-179.4	-54.4	-44.3	0	0	0	110.2	N410 D412 Y416 V429 H430	N410-N414 PolarHBondContact N-O 2.79Å; D412-N414 PolarHBondContact O-N 2.91Å; D412-N414 PolarHBondContact O-ND2 3.17Å; N414-Y416 HydrophobicContact CB-CE1 4.45Å; N414-Y416 HydrophobicContact CB-CE2 4.21Å; N414-Y416 PolarHBondContact ND2-OH 2.91Å; N414-V429 HydrophobicContact CB-CG1 4.13Å; N414-H430 CarbonylContact C-O 3.55Å; N414-H430 VanDerWaalsContact CA-O 3.24Å; N414-H430 WeakPolarHBondContact CA-O 3.5Å
415	L	96.6	Very high	94.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	145.1	164.9	-50.9	92.8	0	0	0	110.3	T407 A408 V429 H430 V437 V440 F449 F461	T407-L415 HydrophobicContact CG2-CB 3.79Å; T407-L415 HydrophobicContact CG2-CD2 3.96Å; A408-L415 WeakPolarHBondContact O-CA 3.25Å; L415-V429 WeakPolarHBondContact O-CA 3.49Å; L415-H430 HydrophobicContact CB-CB 4.13Å; L415-H430 HydrophobicContact CD1-CB 4.14Å; L415-H430 PolarHBondContact N-O 2.98Å; L415-H430 PolarHBondContact O-N 3.05Å; L415-V437 HydrophobicContact CD1-CG1 4.37Å; L415-V437 HydrophobicContact CD1-CG2 4.17Å; L415-V437 HydrophobicContact CD2-CG1 3.95Å; L415-V437 HydrophobicContact CG-CG1 4.09Å; L415-V437 HydrophobicContact CG-CG2 4.25Å; L415-V440 HydrophobicContact CD2-CG1 4.46Å; L415-V440 HydrophobicContact CD2-CG2 3.28Å; L415-F449 HydrophobicContact CD2-CE2 3.88Å; L415-F461 HydrophobicContact CD1-CD2 4.5Å; L415-F461 HydrophobicContact CD1-CE2 3.93Å; L415-F461 HydrophobicContact CD1-CZ 4.25Å
416	Y	96.7	Very high	94.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	114.4	-176	-59.2	-76.8	0	0	0	109.4	L389 T407 A408 N410 N414 F418 P426 V429 H591	L389-Y416 HydrophobicContact CD1-CD2 4.1Å; T407-Y416 WeakPolarHBondContact CA-O 3.33Å; A408-Y416 PolarHBondContact N-O 3.44Å; A408-Y416 PolarHBondContact O-N 3.14Å; N410-Y416 HydrophobicContact CB-CD2 3.9Å; N410-Y416 HydrophobicContact CB-CE2 3.62Å; N414-Y416 HydrophobicContact CB-CE1 4.45Å; N414-Y416 HydrophobicContact CB-CE2 4.21Å; N414-Y416 PolarHBondContact ND2-OH 2.91Å; Y416-F418 VanDerWaalsContact CB-CE2 3.4Å; Y416-F418 HydrophobicContact CG-CE2 4.38Å; Y416-P426 HydrophobicContact CD1-CB 4.43Å; Y416-P426 HydrophobicContact CD1-CG 4.28Å; Y416-V429 HydrophobicContact CD1-CB 4.46Å; Y416-V429 HydrophobicContact CD1-CG1 3.99Å; Y416-V429 HydrophobicContact CD1-CG2 3.95Å; Y416-V429 HydrophobicContact CE1-CB 4.49Å; Y416-V429 HydrophobicContact CE1-CG1 3.66Å; Y416-V429 HydrophobicContact CE1-CG2 4.08Å; Y416-H591 HydrophobicContact CE1-CB 3.67Å; Y416-H591 AromaticContact CE1-CD2 3.72Å; Y416-H591 AromaticContact CE1-CG 3.83Å; Y416-H591 AromaticContact CZ-CD2 3.99Å; Y416-H591 AromaticContact CZ-CG 3.82Å; Y416-H591 PolarHBondContact OH-CD2 3.31Å
417	T	96.6	Very high	94.6	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	119.3	174.5	-54.8	0	0	0	0	108.3	I405 F406 T407 P426 V427 M428 H430	I405-T417 HydrophobicContact CG2-CG2 3.58Å; F406-T417 CarbonylContact O-C 3.36Å; F406-T417 WeakPolarHBondContact O-CA 3.39Å; T407-T417 PolarHBondContact OG1-OG1 3.48Å; T407-T417 VanDerWaalsContact OG1-OG1 3.09Å; T417-P426 CarbonylContact O-C 3.5Å; T417-P426 WeakPolarHBondContact O-CA 3.35Å; T417-P426 WeakPolarHBondContact O-CB 3.45Å; T417-V427 PolarHBondContact O-N 3.12Å; T417-M428 PolarHBondContact N-O 2.81Å; T417-M428 PolarHBondContact O-N 2.74Å; T417-H430 PolarHBondContact OG1-CD2 2.86Å; T417-H430 VanDerWaalsContact OG1-CD2 3.28Å
418	F	96.1	Very high	94.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	153.6	-177.3	-73.6	-77	0	0	0	111.6	I373 L389 I405 F406 Y416 L423 P426 V592	I373-F418 HydrophobicContact CD1-CD2 4.22Å; I373-F418 HydrophobicContact CD1-CE2 3.83Å; L389-F418 HydrophobicContact CD1-CE2 4.41Å; L389-F418 HydrophobicContact CD2-CZ 3.9Å; I405-F418 WeakPolarHBondContact CA-O 3.26Å; F406-F418 HydrophobicContact CD1-CB 4.34Å; F406-F418 HydrophobicContact CD2-CB 4.48Å; F406-F418 HydrophobicContact CE1-CB 3.8Å; F406-F418 HydrophobicContact CE2-CB 3.96Å; F406-F418 AromaticContact CE2-CD2 3.9Å; F406-F418 HydrophobicContact CE2-CD2 3.9Å; F406-F418 HydrophobicContact CE2-CG 4.32Å; F406-F418 HydrophobicContact CZ-CB 3.6Å; F406-F418 HydrophobicContact CZ-CD2 4.15Å; F406-F418 HydrophobicContact CZ-CG 4.14Å; F406-F418 PolarHBondContact N-O 3.34Å; F406-F418 VanDerWaalsContact N-O 3.13Å; F406-F418 PolarHBondContact O-N 2.96Å; Y416-F418 VanDerWaalsContact CB-CE2 3.4Å; Y416-F418 HydrophobicContact CG-CE2 4.38Å; F418-L423 HydrophobicContact CB-CD2 4.13Å; F418-L423 HydrophobicContact CD1-CD2 4.33Å; F418-L423 HydrophobicContact CG-CD2 4.39Å; F418-P426 HydrophobicContact CD1-CB 4.04Å; F418-P426 HydrophobicContact CE1-CB 3.75Å; F418-P426 HydrophobicContact CE1-CG 4.33Å; F418-P426 HydrophobicContact CZ-CB 4.07Å; F418-V592 HydrophobicContact CE1-CG2 3.99Å; F418-V592 HydrophobicContact CZ-CG2 4.13Å
419	D	94.8	Very high	94.4	Very high	32 Å²	32	35.1 Å²	35.1	17%	0.171	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	124.8	159.5	176.6	-11.2	0	0	0	107.4	F404 R421 A422 L423 V427	F404-D419 WeakPolarHBondContact O-CA 3.28Å; D419-R421 PolarHBondContact O-N 3.3Å; D419-R421 VanDerWaalsContact OD1-CB 3.25Å; D419-R421 WeakPolarHBondContact OD1-CB 3.5Å; D419-R421 WeakPolarHBondContact OD1-CG 3.4Å; D419-R421 PolarHBondContact OD1-N 2.85Å; D419-A422 CarbonylContact O-C 3.59Å; D419-A422 PolarHBondContact O-N 2.76Å; D419-A422 VanDerWaalsContact O-N 3.1Å; D419-L423 WeakPolarHBondContact O-CD2 3.33Å; D419-V427 HydrophobicContact CB-CG2 4Å
420	M	92.9	Very high	94.3	Very high	44 Å²	44	35.1 Å²	35.1	22%	0.217	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-24.3	179.1	74.2	-178.5	-71.5	0	0	113.7	L363 L375 F404 F406	L363-M420 HydrophobicContact CD1-CE 3.66Å; L363-M420 HydrophobicContact CD2-CE 3.44Å; L363-M420 VanDerWaalsContact CD2-CE 3.44Å; L363-M420 HydrophobicContact CD2-SD 3.65Å; L363-M420 HydrophobicContact CG-CE 4.22Å; L375-M420 HydrophobicContact CD1-CB 3.87Å; F404-M420 HydrophobicContact CB-CG 3.71Å; F404-M420 HydrophobicContact CB-SD 3.86Å; F404-M420 PolarHBondContact O-N 2.6Å; F406-M420 HydrophobicContact CE1-CB 4.47Å
421	R	92.9	Very high	94.2	Very high	166 Å²	166	36.8 Å²	36.8	63%	0.626	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-41.3	-179.2	-61.1	168.2	174.7	173.4	-1.8	110.8	D419	D419-R421 PolarHBondContact O-N 3.3Å; D419-R421 VanDerWaalsContact OD1-CB 3.25Å; D419-R421 WeakPolarHBondContact OD1-CB 3.5Å; D419-R421 WeakPolarHBondContact OD1-CG 3.4Å; D419-R421 PolarHBondContact OD1-N 2.85Å
422	A	92.4	Very high	94.2	Very high	47 Å²	47	35.9 Å²	35.9	39%	0.388	18%	0.182	S	C	.	.			trans	-127	74.4	-171.4	0	0	0	0	0	111.6	D419 D424	D419-A422 CarbonylContact O-C 3.59Å; D419-A422 PolarHBondContact O-N 2.76Å; D419-A422 VanDerWaalsContact O-N 3.1Å; A422-D424 VanDerWaalsContact C-N 3.35Å; A422-D424 PolarHBondContact O-N 2.84Å
423	L	91.8	Very high	94.3	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-13.5	-173.4	-67.1	166.5	0	0	0	114.6	L375 K385 V387 F406 F418 D419 T425 V595	L375-L423 HydrophobicContact CD1-CD1 4.03Å; K385-L423 HydrophobicContact CB-CD1 4.09Å; K385-L423 HydrophobicContact CD-CD1 3.81Å; V387-L423 HydrophobicContact CG2-CB 3.65Å; V387-L423 HydrophobicContact CG2-CD1 3.74Å; V387-L423 HydrophobicContact CG2-CD2 3.86Å; V387-L423 HydrophobicContact CG2-CG 3.94Å; F406-L423 HydrophobicContact CE1-CD2 4.1Å; F406-L423 HydrophobicContact CZ-CD2 4Å; F418-L423 HydrophobicContact CB-CD2 4.13Å; F418-L423 HydrophobicContact CD1-CD2 4.33Å; F418-L423 HydrophobicContact CG-CD2 4.39Å; D419-L423 WeakPolarHBondContact O-CD2 3.33Å; L423-T425 PolarHBondContact O-N 3.22Å; L423-T425 VanDerWaalsContact O-N 3.12Å; L423-V595 HydrophobicContact CB-CG1 4.15Å; L423-V595 HydrophobicContact CB-CG2 4.04Å
424	D	91.3	Very high	94.4	Very high	94 Å²	94	30.2 Å²	30.2	50%	0.503	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.9	-179.3	-52	-32.4	0	0	0	112.9	A422 V595	A422-D424 VanDerWaalsContact C-N 3.35Å; A422-D424 PolarHBondContact O-N 2.84Å; D424-V595 WeakPolarHBondContact OD1-CG2 3.4Å
425	T	91.4	Very high	94.4	Very high	51 Å²	51	31.4 Å²	31.4	31%	0.313	17%	0.167	S	C	.	.	S	Bend	trans	-140	130.4	177.2	51	0	0	0	0	111	L423 K589	L423-T425 PolarHBondContact O-N 3.22Å; L423-T425 VanDerWaalsContact O-N 3.12Å; T425-K589 HydrophobicContact CG2-CD 3.99Å; T425-K589 HydrophobicContact CG2-CG 3.5Å; T425-K589 VanDerWaalsContact CG2-CG 3.5Å
426	P	94.2	Very high	94.4	Very high	1 Å²	1	32 Å²	32	1%	0.006	17%	0.171	C	C	.	.			trans	-65.7	138.4	165.3	28.4	-32.4	0	0	0	109.8	Y416 T417 F418 M428 V429 K588	Y416-P426 HydrophobicContact CD1-CB 4.43Å; Y416-P426 HydrophobicContact CD1-CG 4.28Å; T417-P426 CarbonylContact O-C 3.5Å; T417-P426 WeakPolarHBondContact O-CA 3.35Å; T417-P426 WeakPolarHBondContact O-CB 3.45Å; F418-P426 HydrophobicContact CD1-CB 4.04Å; F418-P426 HydrophobicContact CE1-CB 3.75Å; F418-P426 HydrophobicContact CE1-CG 4.33Å; F418-P426 HydrophobicContact CZ-CB 4.07Å; P426-M428 VanDerWaalsContact C-N 3.31Å; P426-V429 HydrophobicContact CB-CG2 4.48Å; P426-V429 HydrophobicContact CG-CG2 3.92Å; P426-K588 WeakPolarHBondContact CD-O 3.16Å; P426-K588 HydrophobicContact CG-CB 4.15Å; P426-K588 WeakPolarHBondContact CG-O 3.39Å
427	V	93.8	Very high	94.4	Very high	69 Å²	69	32 Å²	32	42%	0.418	17%	0.171	S	C	.	.	S	Bend	trans	-59.3	-45.1	172.9	179.7	0	0	0	0	109.8	T417 D419 K588	T417-V427 PolarHBondContact O-N 3.12Å; D419-V427 HydrophobicContact CB-CG2 4Å; V427-K588 PolarHBondContact O-NZ 3.42Å
428	M	94.4	Very high	94.4	Very high	41 Å²	41	33.6 Å²	33.6	20%	0.202	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	146.7	179	-167.7	51.4	56.2	0	0	111.4	T417 P426	T417-M428 PolarHBondContact N-O 2.81Å; T417-M428 PolarHBondContact O-N 2.74Å; P426-M428 VanDerWaalsContact C-N 3.31Å
429	V	95.5	Very high	94.5	Very high	6 Å²	6	34.4 Å²	34.4	4%	0.036	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	117.7	171.2	-173.9	0	0	0	0	107.8	N414 L415 Y416 P426 M431 S466 K588	N414-V429 HydrophobicContact CB-CG1 4.13Å; L415-V429 WeakPolarHBondContact O-CA 3.49Å; Y416-V429 HydrophobicContact CD1-CB 4.46Å; Y416-V429 HydrophobicContact CD1-CG1 3.99Å; Y416-V429 HydrophobicContact CD1-CG2 3.95Å; Y416-V429 HydrophobicContact CE1-CB 4.49Å; Y416-V429 HydrophobicContact CE1-CG1 3.66Å; Y416-V429 HydrophobicContact CE1-CG2 4.08Å; P426-V429 HydrophobicContact CB-CG2 4.48Å; P426-V429 HydrophobicContact CG-CG2 3.92Å; V429-M431 HydrophobicContact CB-CE 4.13Å; V429-M431 HydrophobicContact CG1-CE 3.65Å; V429-M431 HydrophobicContact CG1-CG 3.97Å; V429-S466 WeakPolarHBondContact O-CA 3.43Å; V429-S466 WeakPolarHBondContact O-CB 3.32Å; V429-S466 PolarHBondContact O-OG 3.45Å; V429-K588 HydrophobicContact CG2-CB 4.43Å; V429-K588 HydrophobicContact CG2-CG 4.21Å
430	H	96.4	Very high	94.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	118.5	-179.4	-57.8	-87.8	0	0	0	109.4	N414 L415 T417 F449 F461 P462 V463 K465 S466	N414-H430 CarbonylContact C-O 3.55Å; N414-H430 VanDerWaalsContact CA-O 3.24Å; N414-H430 WeakPolarHBondContact CA-O 3.5Å; L415-H430 HydrophobicContact CB-CB 4.13Å; L415-H430 HydrophobicContact CD1-CB 4.14Å; L415-H430 PolarHBondContact N-O 2.98Å; L415-H430 PolarHBondContact O-N 3.05Å; T417-H430 PolarHBondContact OG1-CD2 2.86Å; T417-H430 VanDerWaalsContact OG1-CD2 3.28Å; H430-F449 HydrophobicContact CB-CZ 4.31Å; H430-F449 AromaticContact CD2-CZ 3.61Å; H430-F449 AromaticContact CG-CZ 3.65Å; H430-F449 AromaticContact ND1-CZ 3.77Å; H430-F449 AromaticContact NE2-CE1 3.87Å; H430-F461 HydrophobicContact CB-CD1 3.85Å; H430-F461 HydrophobicContact CB-CE1 3.81Å; H430-F461 HydrophobicContact CB-CG 4.37Å; H430-F461 HydrophobicContact CB-CZ 4.3Å; H430-F461 AromaticContact CE1-CD1 3.16Å; H430-F461 WeakPolarHBondContact CE1-CD1 3.49Å; H430-F461 AromaticContact CE1-CE1 3.98Å; H430-F461 AromaticContact CE1-CG 3.76Å; H430-F461 AromaticContact ND1-CD1 3.84Å; H430-P462 PolarHBondContact NE2-O 2.95Å; H430-V463 VanDerWaalsContact NE2-CA 3.27Å; H430-V463 WeakPolarHBondContact NE2-CA 3.28Å; H430-V463 PolarHBondContact NE2-O 3.32Å; H430-K465 PolarHBondContact CE1-O 2.88Å; H430-K465 PolarHBondContact ND1-O 2.82Å; H430-K465 PolarHBondContact NE2-N 2.88Å; H430-K465 PolarHBondContact NE2-O 3.43Å; H430-S466 CarbonylContact C-O 3.44Å; H430-S466 WeakPolarHBondContact CA-O 3.19Å; H430-S466 VanDerWaalsContact CE1-CA 3.47Å; H430-S466 WeakPolarHBondContact CE1-CA 3.16Å
431	M	93.4	Very high	94.9	Very high	35 Å²	35	31.5 Å²	31.5	17%	0.172	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	105.5	-170.7	-58.6	-175.1	-176.5	0	0	109.7	V429 S466 R467	V429-M431 HydrophobicContact CB-CE 4.13Å; V429-M431 HydrophobicContact CG1-CE 3.65Å; V429-M431 HydrophobicContact CG1-CG 3.97Å; M431-S466 PolarHBondContact N-O 2.9Å; M431-R467 VanDerWaalsContact O-CD 3.24Å; M431-R467 WeakPolarHBondContact O-CD 3.45Å; M431-R467 PolarHBondContact O-NE 2.87Å; M431-R467 PolarHBondContact O-NH1 3.2Å
432	D	94.1	Very high	95.1	Very high	24 Å²	24	23.8 Å²	23.8	13%	0.128	14%	0.14	C	C	.	.			trans	-163.1	-17.9	169.5	-111.7	-41	0	0	0	114.7	R459 F461 R467 S468	D432-R459 PolarHBondContact O-NE 3.09Å; D432-R459 PolarHBondContact O-NH2 2.83Å; D432-F461 HydrophobicContact CB-CE1 4.06Å; D432-F461 HydrophobicContact CB-CZ 3.79Å; D432-R467 IonicContact OD1-CZ 3.76Å; D432-R467 IonicContact OD1-NE 3.16Å; D432-R467 PolarHBondContact OD1-NE 3.48Å; D432-R467 IonicContact OD1-NH1 2.72Å; D432-R467 IonicContact OD1-NH2 3.31Å; D432-R467 PolarHBondContact OD1-NH2 3.06Å; D432-R467 IonicContact OD2-CZ 3.73Å; D432-R467 IonicContact OD2-NE 3.75Å; D432-R467 PolarHBondContact OD2-NE 2.84Å; D432-R467 IonicContact OD2-NH2 2.82Å; D432-S468 VanDerWaalsContact CG-OG 3.24Å; D432-S468 WeakPolarHBondContact OD2-CB 3.48Å; D432-S468 PolarHBondContact OD2-N 3.05Å; D432-S468 PolarHBondContact OD2-OG 2.98Å
433	H	96.3	Very high	95.3	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.019	12%	0.122	C	C	.	.			trans	-71.3	158.2	173.4	-57.4	-83.6	0	0	0	112	Y413 V437 S451 S453 R459 F461	Y413-H433 WeakPolarHBondContact CB-O 3.39Å; Y413-H433 WeakPolarHBondContact O-CB 3.12Å; H433-V437 HydrophobicContact CB-CG2 4.24Å; H433-V437 VanDerWaalsContact CD2-CG2 3.47Å; H433-V437 WeakPolarHBondContact CD2-CG2 3.5Å; H433-S451 PolarHBondContact CE1-OG 2.95Å; H433-S451 WeakPolarHBondContact NE2-CB 3.46Å; H433-S451 PolarHBondContact NE2-OG 3.11Å; H433-S453 WeakPolarHBondContact ND1-CB 3.22Å; H433-R459 PolarHBondContact ND1-NH1 2.72Å; H433-F461 AromaticContact NE2-CE2 3.8Å
434	V	95.5	Very high	95.5	Very high	7 Å²	7	23.2 Å²	23.2	4%	0.042	13%	0.133	C	C	.	.	S	Bend	trans	-105.3	-29.8	-179.1	179.1	0	0	0	0	111.6	Y413 D455 I552 Q555 I556 Q559	Y413-V434 WeakPolarHBondContact CD2-O 3.5Å; Y413-V434 WeakPolarHBondContact CE2-O 3.43Å; V434-D455 HydrophobicContact CB-CB 4Å; V434-D455 WeakPolarHBondContact CB-OD2 3.28Å; V434-D455 PolarHBondContact N-OD2 3Å; V434-I552 HydrophobicContact CG2-CG2 3.9Å; V434-Q555 HydrophobicContact CG1-CB 3.31Å; V434-Q555 HydrophobicContact CG1-CG 4.19Å; V434-I556 HydrophobicContact CG2-CD1 4.13Å; V434-I556 HydrophobicContact CG2-CG1 3.43Å; V434-I556 VanDerWaalsContact CG2-CG1 3.43Å; V434-Q559 PolarHBondContact O-NE2 3.33Å
435	S	96	Very high	95.7	Very high	33 Å²	33	21.2 Å²	21.2	23%	0.231	13%	0.125	C	C	.	.	S	Bend	trans	-124.9	178.9	177.6	-161.1	0	0	0	0	110	Y413 S453	Y413-S435 VanDerWaalsContact CD1-CA 3.42Å; Y413-S435 WeakPolarHBondContact CD1-O 3.48Å; S435-S453 PolarHBondContact O-OG 3.49Å
436	A	96.2	Very high	95.9	Very high	12 Å²	12	19 Å²	19	10%	0.099	11%	0.112	C	C	.	.			trans	-50.6	140.5	-175.8	0	0	0	0	0	111.8	E411 L438 S453 F454	E411-A436 HydrophobicContact CB-CB 4.13Å; E411-A436 HydrophobicContact CG-CB 3.96Å; A436-L438 HydrophobicContact CB-CD2 4.49Å; A436-S453 VanDerWaalsContact O-CA 3.28Å; A436-S453 WeakPolarHBondContact O-CA 3.43Å; A436-S453 WeakPolarHBondContact O-CB 3.3Å; A436-S453 PolarHBondContact O-OG 2.98Å; A436-F454 PolarHBondContact O-N 3.48Å
437	V	97.7	Very high	95.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	123.3	173.5	-167.5	0	0	0	0	107.7	N394 A409 N410 L415 H433 V440 A452	N394-V437 PolarHBondContact ND2-O 3.23Å; A409-V437 HydrophobicContact CB-CB 4.07Å; A409-V437 HydrophobicContact CB-CG1 3.87Å; N410-V437 PolarHBondContact O-N 2.83Å; N410-V437 VanDerWaalsContact O-N 3.13Å; L415-V437 HydrophobicContact CD1-CG1 4.37Å; L415-V437 HydrophobicContact CD1-CG2 4.17Å; L415-V437 HydrophobicContact CD2-CG1 3.95Å; L415-V437 HydrophobicContact CG-CG1 4.09Å; L415-V437 HydrophobicContact CG-CG2 4.25Å; H433-V437 HydrophobicContact CB-CG2 4.24Å; H433-V437 VanDerWaalsContact CD2-CG2 3.47Å; H433-V437 WeakPolarHBondContact CD2-CG2 3.5Å; V437-V440 HydrophobicContact CG1-CG2 4.32Å; V437-A452 WeakPolarHBondContact CA-O 3.43Å; V437-A452 VanDerWaalsContact CG1-O 3.27Å; V437-A452 WeakPolarHBondContact CG1-O 3.34Å
438	L	96.6	Very high	96.1	Very high	36 Å²	36	24.6 Å²	24.6	19%	0.188	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-56.6	-172.6	-61.3	-175.2	0	0	0	111.5	N394 T395 A436 A452 F454 I481	N394-L438 WeakPolarHBondContact CB-O 3.37Å; T395-L438 WeakPolarHBondContact CG2-O 3.43Å; T395-L438 PolarHBondContact OG1-O 2.87Å; A436-L438 HydrophobicContact CB-CD2 4.49Å; L438-A452 PolarHBondContact N-O 2.89Å; L438-F454 HydrophobicContact CD1-CB 4.39Å; L438-F454 HydrophobicContact CD1-CD2 4.26Å; L438-I481 WeakPolarHBondContact CB-O 3.43Å
439	D	97.3	Very high	96.2	Very high	16 Å²	16	22.6 Å²	22.6	9%	0.086	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	153.5	-177.8	-168.4	20.4	0	0	0	112.6	T395 S451 A452 I481 C482 V483 K484	T395-D439 WeakPolarHBondContact OG1-CA 3.4Å; D439-S451 WeakPolarHBondContact O-CA 3.48Å; D439-A452 PolarHBondContact O-N 3.37Å; D439-I481 VanDerWaalsContact CB-O 3.31Å; D439-I481 WeakPolarHBondContact CB-O 3.48Å; D439-C482 WeakPolarHBondContact OD2-CA 3.44Å; D439-V483 HydrophobicContact CB-CG1 4.23Å; D439-V483 PolarHBondContact OD2-N 3.35Å; D439-K484 IonicContact OD1-NZ 2.74Å; D439-K484 PolarHBondContact OD1-NZ 3.4Å; D439-K484 VanDerWaalsContact OD1-NZ 3.1Å; D439-K484 IonicContact OD2-NZ 3.78Å; D439-K484 PolarHBondContact OD2-NZ 2.76Å
440	V	97.6	Very high	96.3	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.006	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	137.7	-178.2	175	0	0	0	0	109.2	C397 T407 A409 L415 V437 F449 V450	C397-V440 HydrophobicContact CB-CB 4.29Å; C397-V440 HydrophobicContact CB-CG1 3.9Å; C397-V440 WeakPolarHBondContact CB-O 3.45Å; T407-V440 HydrophobicContact CG2-CG1 4.26Å; A409-V440 HydrophobicContact CB-CG2 3.62Å; L415-V440 HydrophobicContact CD2-CG1 4.46Å; L415-V440 HydrophobicContact CD2-CG2 3.28Å; V437-V440 HydrophobicContact CG1-CG2 4.32Å; V440-F449 HydrophobicContact CG1-CD2 4.14Å; V440-V450 WeakPolarHBondContact CA-O 3.2Å
441	D	97.8	Very high	96.4	Very high	14 Å²	14	22.3 Å²	22.3	8%	0.075	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	133.3	170.8	-158.2	57.9	0	0	0	110.8	K226 F449 V450 V483 K484 W485	K226-D441 IonicContact NZ-OD2 3.86Å; K226-D441 PolarHBondContact NZ-OD2 3.41Å; D441-F449 WeakPolarHBondContact O-CA 3.34Å; D441-F449 WeakPolarHBondContact O-CB 3.45Å; D441-V450 PolarHBondContact N-O 3.28Å; D441-V450 PolarHBondContact O-N 3.05Å; D441-V483 WeakPolarHBondContact CB-O 3.17Å; D441-K484 HydrophobicContact CB-CD 4.14Å; D441-K484 IonicContact OD1-NZ 3.21Å; D441-K484 WeakPolarHBondContact OD2-CA 3.2Å; D441-W485 PolarHBondContact O-NE1 3.18Å; D441-W485 PolarHBondContact OD2-N 2.97Å
442	Y	97.6	Very high	96.6	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.016	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	144.6	174.1	-91.6	-99.3	0	0	0	111.4	C397 W398 N399 P400 T407 F449 V463	C397-Y442 HydrophobicContact CB-CD2 4Å; C397-Y442 WeakPolarHBondContact O-CE2 3.44Å; C397-Y442 PolarHBondContact SG-N 2.83Å; W398-Y442 WeakPolarHBondContact O-CD2 3.36Å; N399-Y442 HydrophobicContact CB-CD1 4.08Å; N399-Y442 HydrophobicContact CB-CE1 3.67Å; P400-Y442 VanDerWaalsContact CD-CB 3.44Å; T407-Y442 PolarHBondContact OG1-OH 3.19Å; Y442-F449 HydrophobicContact CD1-CB 4.12Å; Y442-F449 HydrophobicContact CD2-CB 4.19Å; Y442-F449 HydrophobicContact CE1-CB 4.43Å; Y442-F449 HydrophobicContact CE1-CD1 4.39Å; Y442-F449 HydrophobicContact CE2-CB 4.48Å; Y442-F449 HydrophobicContact CG-CB 4.02Å; Y442-V463 HydrophobicContact CD1-CG2 4.48Å; Y442-V463 HydrophobicContact CE1-CG2 3.66Å
443	S	96.7	Very high	96.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.105	C	C	.	.			trans	-61.2	144.5	161.9	67.8	0	0	0	0	109.5	P400 T445 G446 E448	P400-S443 VanDerWaalsContact CG-O 3.23Å; P400-S443 WeakPolarHBondContact CG-O 3.41Å; S443-T445 PolarHBondContact O-N 2.85Å; S443-T445 PolarHBondContact OG-OG1 2.81Å; S443-G446 PolarHBondContact O-N 3.01Å; S443-E448 WeakPolarHBondContact CB-O 3.47Å; S443-E448 PolarHBondContact N-O 2.97Å; S443-E448 PolarHBondContact OG-N 3.13Å; S443-E448 PolarHBondContact OG-O 3.48Å
444	P	95	Very high	96.8	Very high	40 Å²	40	23.9 Å²	23.9	26%	0.26	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-17.7	172.1	-26.9	33.1	0	0	0	114.5
445	T	95.9	Very high	96.7	Very high	52 Å²	52	24.1 Å²	24.1	32%	0.319	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-10.1	176.7	73.8	0	0	0	0	114.4	M401 S443 K447	M401-T445 WeakPolarHBondContact CG-O 3.28Å; S443-T445 PolarHBondContact O-N 2.85Å; S443-T445 PolarHBondContact OG-OG1 2.81Å; T445-K447 PolarHBondContact O-N 2.78Å; T445-K447 VanDerWaalsContact O-N 3.11Å; T445-K447 PolarHBondContact OG1-N 2.78Å
446	G	95.3	Very high	96.7	Very high	5 Å²	5	26 Å²	26	5%	0.052	13%	0.129	C	C	.	.	S	Bend	trans	70.3	-6.1	-176.7	0	0	0	0	0	116.6	N399 S443 V463	N399-G446 PolarHBondContact ND2-O 3.46Å; N399-G446 WeakPolarHBondContact OD1-CA 3.1Å; S443-G446 PolarHBondContact O-N 3.01Å; G446-V463 WeakPolarHBondContact O-CG2 3.36Å
447	K	95.1	Very high	96.7	Very high	155 Å²	155	25.4 Å²	25.4	67%	0.674	13%	0.125	S	C	*	.	S	Bend	trans	-89.2	-29.9	-172.1	-65.5	177.9	-176.8	-178.4	0	114.6	T445 V463	T445-K447 PolarHBondContact O-N 2.78Å; T445-K447 VanDerWaalsContact O-N 3.11Å; T445-K447 PolarHBondContact OG1-N 2.78Å; K447-V463 PolarHBondContact O-N 3.12Å
448	E	96.9	Very high	96.7	Very high	31 Å²	31	25.4 Å²	25.4	15%	0.145	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	152.5	175.6	-60	-169.4	142.4	0	0	109.3	S443 I460 F461 P462 R469 W485	S443-E448 WeakPolarHBondContact CB-O 3.47Å; S443-E448 PolarHBondContact N-O 2.97Å; S443-E448 PolarHBondContact OG-N 3.13Å; S443-E448 PolarHBondContact OG-O 3.48Å; E448-I460 HydrophobicContact CB-CG2 4.37Å; E448-F461 CarbonylContact C-O 3.58Å; E448-F461 VanDerWaalsContact CA-O 3.31Å; E448-F461 WeakPolarHBondContact CA-O 3.5Å; E448-P462 HydrophobicContact CG-CB 4.47Å; E448-R469 WeakPolarHBondContact OE1-CD 3.24Å; E448-R469 IonicContact OE1-CZ 2.72Å; E448-R469 IonicContact OE1-NE 3.01Å; E448-R469 IonicContact OE1-NH1 2.72Å; E448-R469 PolarHBondContact OE1-NH1 2.83Å; E448-R469 IonicContact OE2-NH1 2.83Å; E448-R469 PolarHBondContact OE2-NH1 2.91Å; E448-W485 HydrophobicContact CB-CH2 4.39Å; E448-W485 HydrophobicContact CB-CZ2 4.1Å
449	F	97.9	Very high	96.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	163.1	167.6	65	-95.5	0	0	0	109.8	T407 L415 H430 V440 D441 Y442 F461 V463	T407-F449 HydrophobicContact CG2-CE2 4.31Å; T407-F449 HydrophobicContact CG2-CZ 4.24Å; L415-F449 HydrophobicContact CD2-CE2 3.88Å; H430-F449 HydrophobicContact CB-CZ 4.31Å; H430-F449 AromaticContact CD2-CZ 3.61Å; H430-F449 AromaticContact CG-CZ 3.65Å; H430-F449 AromaticContact ND1-CZ 3.77Å; H430-F449 AromaticContact NE2-CE1 3.87Å; V440-F449 HydrophobicContact CG1-CD2 4.14Å; D441-F449 WeakPolarHBondContact O-CA 3.34Å; D441-F449 WeakPolarHBondContact O-CB 3.45Å; Y442-F449 HydrophobicContact CD1-CB 4.12Å; Y442-F449 HydrophobicContact CD2-CB 4.19Å; Y442-F449 HydrophobicContact CE1-CB 4.43Å; Y442-F449 HydrophobicContact CE1-CD1 4.39Å; Y442-F449 HydrophobicContact CE2-CB 4.48Å; Y442-F449 HydrophobicContact CG-CB 4.02Å; F449-F461 HydrophobicContact CD1-CB 4.36Å; F449-F461 HydrophobicContact CD2-CB 4.15Å; F449-F461 HydrophobicContact CE1-CB 3.8Å; F449-F461 HydrophobicContact CE2-CB 3.53Å; F449-F461 AromaticContact CE2-CD2 3.73Å; F449-F461 HydrophobicContact CE2-CD2 3.73Å; F449-F461 AromaticContact CE2-CG 3.9Å; F449-F461 HydrophobicContact CE2-CG 3.9Å; F449-F461 HydrophobicContact CZ-CB 3.35Å; F449-F461 HydrophobicContact CZ-CD2 4.2Å; F449-F461 AromaticContact CZ-CG 3.91Å; F449-F461 HydrophobicContact CZ-CG 3.91Å; F449-F461 PolarHBondContact N-O 3.4Å; F449-F461 PolarHBondContact O-N 3.3Å; F449-V463 HydrophobicContact CD1-CG2 3.99Å; F449-V463 HydrophobicContact CE1-CG2 4.45Å
450	V	98.1	Very high	96.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	150.9	174.4	166.6	0	0	0	0	109.3	V440 D441 I458 I460 V483 W485 I492	V440-V450 WeakPolarHBondContact CA-O 3.2Å; D441-V450 PolarHBondContact N-O 3.28Å; D441-V450 PolarHBondContact O-N 3.05Å; V450-I458 HydrophobicContact CG1-CG2 3.48Å; V450-I458 VanDerWaalsContact CG1-CG2 3.48Å; V450-I460 HydrophobicContact CG2-CB 4.4Å; V450-I460 HydrophobicContact CG2-CG1 4Å; V450-I460 HydrophobicContact CG2-CG2 4.24Å; V450-V483 HydrophobicContact CG1-CB 4.29Å; V450-V483 HydrophobicContact CG1-CG1 3.95Å; V450-V483 HydrophobicContact CG1-CG2 3.35Å; V450-W485 HydrophobicContact CG2-CZ2 3.94Å; V450-I492 HydrophobicContact CB-CG2 4.44Å; V450-I492 HydrophobicContact CG1-CG2 3.84Å; V450-I492 HydrophobicContact CG2-CD1 3.4Å; V450-I492 VanDerWaalsContact CG2-CD1 3.4Å; V450-I492 HydrophobicContact CG2-CG1 3.84Å; V450-I492 HydrophobicContact CG2-CG2 4.15Å
451	S	98.1	Very high	96.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	138.7	177.2	53.6	0	0	0	0	110.5	H433 D439 I458 R459 F461	H433-S451 PolarHBondContact CE1-OG 2.95Å; H433-S451 WeakPolarHBondContact NE2-CB 3.46Å; H433-S451 PolarHBondContact NE2-OG 3.11Å; D439-S451 WeakPolarHBondContact O-CA 3.48Å; S451-I458 WeakPolarHBondContact O-CA 3.35Å; S451-R459 PolarHBondContact N-O 3.28Å; S451-R459 PolarHBondContact O-N 2.94Å; S451-R459 PolarHBondContact OG-O 2.98Å; S451-F461 WeakPolarHBondContact OG-CD2 3.49Å; S451-F461 VanDerWaalsContact OG-CE2 3.27Å; S451-F461 WeakPolarHBondContact OG-CE2 3.41Å
452	A	97.3	Very high	96.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	142.1	174.2	0	0	0	0	0	110.2	V437 L438 D439 V480 V483	V437-A452 WeakPolarHBondContact CA-O 3.43Å; V437-A452 VanDerWaalsContact CG1-O 3.27Å; V437-A452 WeakPolarHBondContact CG1-O 3.34Å; L438-A452 PolarHBondContact N-O 2.89Å; D439-A452 PolarHBondContact O-N 3.37Å; A452-V480 HydrophobicContact CB-CB 3.89Å; A452-V480 HydrophobicContact CB-CG1 3.52Å; A452-V483 HydrophobicContact CB-CB 3.82Å; A452-V483 HydrophobicContact CB-CG1 3.84Å
453	S	97.1	Very high	96.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	152.5	179.3	176	0	0	0	0	112	H433 S435 A436 D455 K456 S457 V480	H433-S453 WeakPolarHBondContact ND1-CB 3.22Å; S435-S453 PolarHBondContact O-OG 3.49Å; A436-S453 VanDerWaalsContact O-CA 3.28Å; A436-S453 WeakPolarHBondContact O-CA 3.43Å; A436-S453 WeakPolarHBondContact O-CB 3.3Å; A436-S453 PolarHBondContact O-OG 2.98Å; S453-D455 PolarHBondContact O-N 2.99Å; S453-D455 VanDerWaalsContact O-N 3.11Å; S453-D455 PolarHBondContact OG-N 3.29Å; S453-K456 PolarHBondContact O-N 2.72Å; S453-S457 PolarHBondContact N-O 3.45Å; S453-V480 PolarHBondContact O-N 2.91Å
454	F	96.7	Very high	96.4	Very high	96 Å²	96	30 Å²	30	42%	0.421	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-14	166	-162.3	-98.1	0	0	0	112.7	A436 L438 K456 H479	A436-F454 PolarHBondContact O-N 3.48Å; L438-F454 HydrophobicContact CD1-CB 4.39Å; L438-F454 HydrophobicContact CD1-CD2 4.26Å; F454-K456 PolarHBondContact O-N 2.71Å; F454-K456 VanDerWaalsContact O-N 3.11Å; F454-H479 AromaticContact CD1-CE1 3.72Å; F454-H479 AromaticContact CD1-ND1 3.51Å; F454-H479 HydrophobicContact CD2-CB 3.89Å; F454-H479 AromaticContact CD2-CG 3.67Å; F454-H479 AromaticContact CD2-ND1 3.4Å; F454-H479 WeakPolarHBondContact CD2-ND1 3.42Å; F454-H479 AromaticContact CE1-CE1 3.31Å; F454-H479 WeakPolarHBondContact CE1-CE1 3.25Å; F454-H479 AromaticContact CE1-ND1 3.51Å; F454-H479 HydrophobicContact CE2-CB 4.06Å; F454-H479 AromaticContact CE2-CD2 3.97Å; F454-H479 AromaticContact CE2-CE1 3.76Å; F454-H479 AromaticContact CE2-CG 3.51Å; F454-H479 AromaticContact CE2-ND1 3.4Å; F454-H479 WeakPolarHBondContact CE2-ND1 3.46Å; F454-H479 AromaticContact CG-ND1 3.45Å; F454-H479 WeakPolarHBondContact CG-ND1 3.46Å; F454-H479 AromaticContact CZ-CE1 3.33Å; F454-H479 WeakPolarHBondContact CZ-CE1 3.13Å; F454-H479 AromaticContact CZ-CG 3.9Å; F454-H479 AromaticContact CZ-ND1 3.45Å; F454-H479 WeakPolarHBondContact CZ-ND1 3.39Å; F454-H479 AromaticContact CZ-NE2 3.79Å; F454-H479 PolarHBondContact O-ND1 3.04Å
455	D	94.1	Very high	96.4	Very high	11 Å²	11	33.8 Å²	33.8	6%	0.059	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	9.8	174	82.6	1.8	0	0	0	115.2	V434 S453 S457 R459 I552	V434-D455 HydrophobicContact CB-CB 4Å; V434-D455 WeakPolarHBondContact CB-OD2 3.28Å; V434-D455 PolarHBondContact N-OD2 3Å; S453-D455 PolarHBondContact O-N 2.99Å; S453-D455 VanDerWaalsContact O-N 3.11Å; S453-D455 PolarHBondContact OG-N 3.29Å; D455-S457 VanDerWaalsContact C-N 3.32Å; D455-S457 WeakPolarHBondContact OD1-CB 3.34Å; D455-S457 PolarHBondContact OD1-N 3.05Å; D455-S457 PolarHBondContact OD1-OG 2.87Å; D455-R459 VanDerWaalsContact CG-NH1 3.33Å; D455-R459 IonicContact OD1-NH1 2.67Å; D455-R459 PolarHBondContact OD1-NH1 3.3Å; D455-R459 VanDerWaalsContact OD1-NH1 3.13Å; D455-R459 IonicContact OD2-CZ 2.71Å; D455-R459 IonicContact OD2-NH1 3.37Å; D455-R459 PolarHBondContact OD2-NH1 2.77Å; D455-R459 IonicContact OD2-NH2 3.1Å; D455-R459 PolarHBondContact OD2-NH2 2.97Å; D455-I552 VanDerWaalsContact O-CD1 3.24Å; D455-I552 WeakPolarHBondContact O-CD1 3.47Å
456	K	95.2	Very high	96.3	Very high	73 Å²	73	33 Å²	33	32%	0.317	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	30.9	177.3	-44.9	-176.4	176.7	-167.8	0	113	S453 F454 M477 Q478 H479	S453-K456 PolarHBondContact O-N 2.72Å; F454-K456 PolarHBondContact O-N 2.71Å; F454-K456 VanDerWaalsContact O-N 3.11Å; K456-M477 WeakPolarHBondContact O-CE 3.19Å; K456-Q478 WeakPolarHBondContact CA-O 3.48Å; K456-Q478 WeakPolarHBondContact CB-O 3.33Å; K456-H479 WeakPolarHBondContact CE-CE1 3.29Å
457	S	96.2	Very high	96.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	159.9	177.7	80.1	0	0	0	0	113.5	S453 D455 R459 Y472	S453-S457 PolarHBondContact N-O 3.45Å; D455-S457 VanDerWaalsContact C-N 3.32Å; D455-S457 WeakPolarHBondContact OD1-CB 3.34Å; D455-S457 PolarHBondContact OD1-N 3.05Å; D455-S457 PolarHBondContact OD1-OG 2.87Å; S457-R459 PolarHBondContact OG-NH1 2.84Å; S457-Y472 WeakPolarHBondContact CA-O 3.27Å; S457-Y472 WeakPolarHBondContact CB-O 3.46Å
458	I	97.5	Very high	96.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.6	178.5	-57.4	155.6	0	0	0	106.9	V450 S451 V471 Y472 M477 V480 V483 I492 C494 W504	V450-I458 HydrophobicContact CG1-CG2 3.48Å; V450-I458 VanDerWaalsContact CG1-CG2 3.48Å; S451-I458 WeakPolarHBondContact O-CA 3.35Å; I458-V471 CarbonylContact O-C 3.56Å; I458-V471 WeakPolarHBondContact O-CA 3.24Å; I458-Y472 PolarHBondContact N-O 3.03Å; I458-Y472 PolarHBondContact O-N 3.06Å; I458-M477 HydrophobicContact CD1-CE 4.15Å; I458-M477 HydrophobicContact CD1-SD 4.25Å; I458-M477 HydrophobicContact CG1-CE 4.21Å; I458-V480 HydrophobicContact CG1-CG1 4.11Å; I458-V480 HydrophobicContact CG1-CG2 4.25Å; I458-V483 HydrophobicContact CG2-CG2 4.25Å; I458-I492 HydrophobicContact CG2-CG2 4.44Å; I458-C494 HydrophobicContact CD1-CB 3.58Å; I458-C494 WeakPolarHBondContact CD1-SG 3.38Å; I458-C494 HydrophobicContact CG1-CB 4.27Å; I458-W504 HydrophobicContact CD1-CZ2 4.39Å
459	R	97.6	Very high	96.2	Very high	3 Å²	3	35.3 Å²	35.3	1%	0.011	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	130.9	179.5	-63.3	-170	170.7	72.8	-8.8	110.9	D432 H433 S451 D455 S457 F461 E470 V471	D432-R459 PolarHBondContact O-NE 3.09Å; D432-R459 PolarHBondContact O-NH2 2.83Å; H433-R459 PolarHBondContact ND1-NH1 2.72Å; S451-R459 PolarHBondContact N-O 3.28Å; S451-R459 PolarHBondContact O-N 2.94Å; S451-R459 PolarHBondContact OG-O 2.98Å; D455-R459 VanDerWaalsContact CG-NH1 3.33Å; D455-R459 IonicContact OD1-NH1 2.67Å; D455-R459 PolarHBondContact OD1-NH1 3.3Å; D455-R459 VanDerWaalsContact OD1-NH1 3.13Å; D455-R459 IonicContact OD2-CZ 2.71Å; D455-R459 IonicContact OD2-NH1 3.37Å; D455-R459 PolarHBondContact OD2-NH1 2.77Å; D455-R459 IonicContact OD2-NH2 3.1Å; D455-R459 PolarHBondContact OD2-NH2 2.97Å; S457-R459 PolarHBondContact OG-NH1 2.84Å; R459-F461 HydrophobicContact CB-CD2 4.15Å; R459-F461 HydrophobicContact CB-CE2 3.55Å; R459-F461 HydrophobicContact CB-CZ 4.22Å; R459-E470 WeakPolarHBondContact CA-O 3.44Å; R459-V471 HydrophobicContact CG-CG1 4.13Å; R459-V471 HydrophobicContact CG-CG2 4.08Å
460	I	97.8	Very high	96.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	127.9	173.1	-44.1	-174.3	0	0	0	108.4	E448 V450 S468 R469 E470 Y472 W485 I492 A506	E448-I460 HydrophobicContact CB-CG2 4.37Å; V450-I460 HydrophobicContact CG2-CB 4.4Å; V450-I460 HydrophobicContact CG2-CG1 4Å; V450-I460 HydrophobicContact CG2-CG2 4.24Å; I460-S468 CarbonylContact O-C 3.47Å; I460-S468 WeakPolarHBondContact O-CA 3.36Å; I460-R469 PolarHBondContact O-N 3.3Å; I460-E470 HydrophobicContact CB-CB 4.17Å; I460-E470 HydrophobicContact CD1-CB 3.78Å; I460-E470 HydrophobicContact CD1-CG 3.95Å; I460-E470 HydrophobicContact CG1-CB 3.89Å; I460-E470 PolarHBondContact N-O 2.58Å; I460-Y472 HydrophobicContact CD1-CE2 3.87Å; I460-Y472 HydrophobicContact CG1-CE2 4.49Å; I460-W485 HydrophobicContact CG2-CZ2 4.32Å; I460-I492 HydrophobicContact CD1-CD1 3.46Å; I460-I492 VanDerWaalsContact CD1-CD1 3.46Å; I460-I492 HydrophobicContact CG1-CD1 3.88Å; I460-A506 WeakPolarHBondContact CD1-O 3.41Å
461	F	97.6	Very high	96.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.3	178	-71.1	-91	0	0	0	110.6	L415 H430 D432 H433 E448 F449 S451 R459 S468	L415-F461 HydrophobicContact CD1-CD2 4.5Å; L415-F461 HydrophobicContact CD1-CE2 3.93Å; L415-F461 HydrophobicContact CD1-CZ 4.25Å; H430-F461 HydrophobicContact CB-CD1 3.85Å; H430-F461 HydrophobicContact CB-CE1 3.81Å; H430-F461 HydrophobicContact CB-CG 4.37Å; H430-F461 HydrophobicContact CB-CZ 4.3Å; H430-F461 AromaticContact CE1-CD1 3.16Å; H430-F461 WeakPolarHBondContact CE1-CD1 3.49Å; H430-F461 AromaticContact CE1-CE1 3.98Å; H430-F461 AromaticContact CE1-CG 3.76Å; H430-F461 AromaticContact ND1-CD1 3.84Å; D432-F461 HydrophobicContact CB-CE1 4.06Å; D432-F461 HydrophobicContact CB-CZ 3.79Å; H433-F461 AromaticContact NE2-CE2 3.8Å; E448-F461 CarbonylContact C-O 3.58Å; E448-F461 VanDerWaalsContact CA-O 3.31Å; E448-F461 WeakPolarHBondContact CA-O 3.5Å; F449-F461 HydrophobicContact CD1-CB 4.36Å; F449-F461 HydrophobicContact CD2-CB 4.15Å; F449-F461 HydrophobicContact CE1-CB 3.8Å; F449-F461 HydrophobicContact CE2-CB 3.53Å; F449-F461 AromaticContact CE2-CD2 3.73Å; F449-F461 HydrophobicContact CE2-CD2 3.73Å; F449-F461 AromaticContact CE2-CG 3.9Å; F449-F461 HydrophobicContact CE2-CG 3.9Å; F449-F461 HydrophobicContact CZ-CB 3.35Å; F449-F461 HydrophobicContact CZ-CD2 4.2Å; F449-F461 AromaticContact CZ-CG 3.91Å; F449-F461 HydrophobicContact CZ-CG 3.91Å; F449-F461 PolarHBondContact N-O 3.4Å; F449-F461 PolarHBondContact O-N 3.3Å; S451-F461 WeakPolarHBondContact OG-CD2 3.49Å; S451-F461 VanDerWaalsContact OG-CE2 3.27Å; S451-F461 WeakPolarHBondContact OG-CE2 3.41Å; R459-F461 HydrophobicContact CB-CD2 4.15Å; R459-F461 HydrophobicContact CB-CE2 3.55Å; R459-F461 HydrophobicContact CB-CZ 4.22Å; F461-S468 VanDerWaalsContact CE1-N 3.27Å
462	P	96.6	Very high	96	Very high	12 Å²	12	37 Å²	37	8%	0.078	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	138.3	160.4	-18	34.4	0	0	0	109.7	H430 E448 D464 K465 R469	H430-P462 PolarHBondContact NE2-O 2.95Å; E448-P462 HydrophobicContact CG-CB 4.47Å; P462-D464 PolarHBondContact O-N 2.86Å; P462-K465 HydrophobicContact CB-CB 4.24Å; P462-K465 HydrophobicContact CB-CD 4.18Å; P462-K465 HydrophobicContact CB-CG 4.29Å; P462-K465 HydrophobicContact CG-CB 4.45Å; P462-K465 HydrophobicContact CG-CD 4.12Å; P462-K465 PolarHBondContact O-N 2.76Å; P462-R469 HydrophobicContact CG-CB 4.08Å
463	V	94.9	Very high	95.9	Very high	16 Å²	16	39.2 Å²	39.2	10%	0.097	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-38	-175.7	176.1	0	0	0	0	112.1	H430 Y442 G446 K447 F449 K465	H430-V463 VanDerWaalsContact NE2-CA 3.27Å; H430-V463 WeakPolarHBondContact NE2-CA 3.28Å; H430-V463 PolarHBondContact NE2-O 3.32Å; Y442-V463 HydrophobicContact CD1-CG2 4.48Å; Y442-V463 HydrophobicContact CE1-CG2 3.66Å; G446-V463 WeakPolarHBondContact O-CG2 3.36Å; K447-V463 PolarHBondContact O-N 3.12Å; F449-V463 HydrophobicContact CD1-CG2 3.99Å; F449-V463 HydrophobicContact CE1-CG2 4.45Å; V463-K465 PolarHBondContact O-N 3.5Å
464	D	94.4	Very high	95.8	Very high	136 Å²	136	41.1 Å²	41.1	73%	0.727	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-9.2	-179.8	-47	-50.3	0	0	0	114.4	P462	P462-D464 PolarHBondContact O-N 2.86Å
465	K	94.5	Very high	95.6	Very high	119 Å²	119	46.8 Å²	46.8	52%	0.517	22%	0.221	S	C	.	.			trans	-123.9	116.4	-165.3	-63.4	-179	-168.8	164.7	0	112.4	H430 P462 V463 R467	H430-K465 PolarHBondContact CE1-O 2.88Å; H430-K465 PolarHBondContact ND1-O 2.82Å; H430-K465 PolarHBondContact NE2-N 2.88Å; H430-K465 PolarHBondContact NE2-O 3.43Å; P462-K465 HydrophobicContact CB-CB 4.24Å; P462-K465 HydrophobicContact CB-CD 4.18Å; P462-K465 HydrophobicContact CB-CG 4.29Å; P462-K465 HydrophobicContact CG-CB 4.45Å; P462-K465 HydrophobicContact CG-CD 4.12Å; P462-K465 PolarHBondContact O-N 2.76Å; V463-K465 PolarHBondContact O-N 3.5Å; K465-R467 PolarHBondContact O-N 3.22Å
466	S	94.5	Very high	95.4	Very high	37 Å²	37	55.7 Å²	55.7	26%	0.259	25%	0.254	S	S	.	.	S	Bend	trans	-54.5	-19.7	172.3	179.4	0	0	0	0	115	V429 H430 M431	V429-S466 WeakPolarHBondContact O-CA 3.43Å; V429-S466 WeakPolarHBondContact O-CB 3.32Å; V429-S466 PolarHBondContact O-OG 3.45Å; H430-S466 CarbonylContact C-O 3.44Å; H430-S466 WeakPolarHBondContact CA-O 3.19Å; H430-S466 VanDerWaalsContact CE1-CA 3.47Å; H430-S466 WeakPolarHBondContact CE1-CA 3.16Å; M431-S466 PolarHBondContact N-O 2.9Å
467	R	94.3	Very high	95.3	Very high	134 Å²	134	52.4 Å²	52.4	51%	0.506	24%	0.24	S	C	.	.	S	Bend	trans	-113.3	143.3	-177.4	-59.8	-59.9	-65	-158.2	-15.8	111.7	M431 D432 K465	M431-R467 VanDerWaalsContact O-CD 3.24Å; M431-R467 WeakPolarHBondContact O-CD 3.45Å; M431-R467 PolarHBondContact O-NE 2.87Å; M431-R467 PolarHBondContact O-NH1 3.2Å; D432-R467 IonicContact OD1-CZ 3.76Å; D432-R467 IonicContact OD1-NE 3.16Å; D432-R467 PolarHBondContact OD1-NE 3.48Å; D432-R467 IonicContact OD1-NH1 2.72Å; D432-R467 IonicContact OD1-NH2 3.31Å; D432-R467 PolarHBondContact OD1-NH2 3.06Å; D432-R467 IonicContact OD2-CZ 3.73Å; D432-R467 IonicContact OD2-NE 3.75Å; D432-R467 PolarHBondContact OD2-NE 2.84Å; D432-R467 IonicContact OD2-NH2 2.82Å; K465-R467 PolarHBondContact O-N 3.22Å
468	S	96.1	Very high	95.2	Very high	27 Å²	27	55.5 Å²	55.5	19%	0.189	25%	0.254	C	S	.	.			trans	-61	144.8	178.2	59.9	0	0	0	0	111.8	D432 I460 F461	D432-S468 VanDerWaalsContact CG-OG 3.24Å; D432-S468 WeakPolarHBondContact OD2-CB 3.48Å; D432-S468 PolarHBondContact OD2-N 3.05Å; D432-S468 PolarHBondContact OD2-OG 2.98Å; I460-S468 CarbonylContact O-C 3.47Å; I460-S468 WeakPolarHBondContact O-CA 3.36Å; F461-S468 VanDerWaalsContact CE1-N 3.27Å
469	R	94.4	Very high	95.1	Very high	77 Å²	77	57.3 Å²	57.3	29%	0.291	26%	0.262	S	S	.	.	S	Bend	trans	-87.6	-48.2	175.7	177.1	-163.4	154.2	-167.2	-7	110.8	E448 I460 P462 N507 R546	E448-R469 WeakPolarHBondContact OE1-CD 3.24Å; E448-R469 IonicContact OE1-CZ 2.72Å; E448-R469 IonicContact OE1-NE 3.01Å; E448-R469 IonicContact OE1-NH1 2.72Å; E448-R469 PolarHBondContact OE1-NH1 2.83Å; E448-R469 IonicContact OE2-NH1 2.83Å; E448-R469 PolarHBondContact OE2-NH1 2.91Å; I460-R469 PolarHBondContact O-N 3.3Å; P462-R469 HydrophobicContact CG-CB 4.08Å; R469-N507 PolarHBondContact NH1-OD1 3.05Å; R469-N507 PolarHBondContact NH2-OD1 2.89Å; R469-R546 PolarHBondContact O-NH2 3.26Å
470	E	95.9	Very high	95	Very high	7 Å²	7	57.1 Å²	57.1	3%	0.033	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	147.1	179.8	-56.8	-70.7	129.8	0	0	109.4	R459 I460 Y472 R546	R459-E470 WeakPolarHBondContact CA-O 3.44Å; I460-E470 HydrophobicContact CB-CB 4.17Å; I460-E470 HydrophobicContact CD1-CB 3.78Å; I460-E470 HydrophobicContact CD1-CG 3.95Å; I460-E470 HydrophobicContact CG1-CB 3.89Å; I460-E470 PolarHBondContact N-O 2.58Å; E470-Y472 HydrophobicContact CB-CE1 3.85Å; E470-Y472 HydrophobicContact CG-CE1 4.38Å; E470-R546 IonicContact OE1-CZ 2.89Å; E470-R546 IonicContact OE1-NH1 2.83Å; E470-R546 IonicContact OE1-NH2 3.4Å; E470-R546 PolarHBondContact OE1-NH2 2.82Å; E470-R546 IonicContact OE2-CZ 3.62Å; E470-R546 IonicContact OE2-NH1 3.94Å; E470-R546 PolarHBondContact OE2-NH1 2.96Å; E470-R546 IonicContact OE2-NH2 3.94Å; E470-R546 PolarHBondContact OE2-NH2 3.3Å
471	V	96.6	Very high	94.9	Very high	22 Å²	22	58.6 Å²	58.6	13%	0.133	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	126.8	170.6	-175	0	0	0	0	107.5	I458 R459 L548	I458-V471 CarbonylContact O-C 3.56Å; I458-V471 WeakPolarHBondContact O-CA 3.24Å; R459-V471 HydrophobicContact CG-CG1 4.13Å; R459-V471 HydrophobicContact CG-CG2 4.08Å; V471-L548 HydrophobicContact CB-CD2 4.25Å; V471-L548 HydrophobicContact CG1-CD2 3.88Å
472	Y	97.4	Very high	94.8	Very high	6 Å²	6	58.9 Å²	58.9	2%	0.024	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	136.8	178.6	-58.7	-26.6	0	0	0	111	P209 S457 I458 I460 E470 I492 W504 K505 A506 A508	P209-Y472 HydrophobicContact CB-CD1 3.8Å; P209-Y472 HydrophobicContact CB-CD2 4.32Å; P209-Y472 HydrophobicContact CB-CE1 3.35Å; P209-Y472 HydrophobicContact CB-CE2 3.9Å; P209-Y472 HydrophobicContact CB-CG 4.29Å; P209-Y472 HydrophobicContact CG-CD1 3.68Å; P209-Y472 HydrophobicContact CG-CE1 3.61Å; P209-Y472 HydrophobicContact CG-CG 4.36Å; S457-Y472 WeakPolarHBondContact CA-O 3.27Å; S457-Y472 WeakPolarHBondContact CB-O 3.46Å; I458-Y472 PolarHBondContact N-O 3.03Å; I458-Y472 PolarHBondContact O-N 3.06Å; I460-Y472 HydrophobicContact CD1-CE2 3.87Å; I460-Y472 HydrophobicContact CG1-CE2 4.49Å; E470-Y472 HydrophobicContact CB-CE1 3.85Å; E470-Y472 HydrophobicContact CG-CE1 4.38Å; Y472-I492 HydrophobicContact CE2-CD1 4.29Å; Y472-W504 HydrophobicContact CD2-CB 3.99Å; Y472-W504 HydrophobicContact CD2-CD2 4.04Å; Y472-W504 AromaticContact CD2-CE3 3.91Å; Y472-W504 HydrophobicContact CD2-CE3 3.91Å; Y472-W504 HydrophobicContact CD2-CG 4.11Å; Y472-W504 HydrophobicContact CE2-CB 4.1Å; Y472-W504 HydrophobicContact CG-CD2 4.39Å; Y472-W504 AromaticContact CG-CE3 3.92Å; Y472-W504 HydrophobicContact CG-CE3 3.92Å; Y472-W504 HydrophobicContact CG-CZ3 4.21Å; Y472-K505 WeakPolarHBondContact CE2-O 3.5Å; Y472-K505 VanDerWaalsContact CZ-O 3.31Å; Y472-K505 PolarHBondContact OH-O 3.32Å; Y472-A506 PolarHBondContact OH-O 2.83Å; Y472-A508 HydrophobicContact CE1-CB 4.18Å; Y472-A508 PolarHBondContact OH-N 3.07Å
473	H	95.7	Very high	94.9	Very high	48 Å²	48	58.3 Å²	58.3	22%	0.222	27%	0.267	C	S	.	.			trans	-150.6	159.3	175.6	63.9	91.2	0	0	0	109.8	H547 P549	H473-H547 PolarHBondContact NE2-O 2.88Å; H473-P549 HydrophobicContact CB-CG 4.43Å
474	T	94.4	Very high	95	Very high	40 Å²	40	58.9 Å²	58.9	25%	0.245	27%	0.269	C	S	.	.			trans	-131.3	162.5	159.6	83.7	0	0	0	0	109.2	R476 M477 W504	T474-R476 VanDerWaalsContact C-N 3.26Å; T474-R476 PolarHBondContact O-N 3.05Å; T474-R476 PolarHBondContact OG1-N 2.8Å; T474-M477 WeakPolarHBondContact O-CB 3.44Å; T474-M477 PolarHBondContact O-N 2.57Å; T474-M477 VanDerWaalsContact O-N 3.17Å; T474-M477 PolarHBondContact OG1-N 2.97Å; T474-M477 VanDerWaalsContact OG1-N 3.11Å; T474-W504 HydrophobicContact CG2-CH2 3.47Å; T474-W504 VanDerWaalsContact CG2-CH2 3.47Å; T474-W504 HydrophobicContact CG2-CZ2 3.92Å
475	K	91.8	Very high	95.1	Very high	214 Å²	214	52.8 Å²	52.8	93%	0.93	24%	0.235	S	C	*	.	S	Bend	trans	-64.7	-28	175.8	-69.1	-174.6	177.4	-177.4	0	114
476	R	89.8	Confident	95.1	Very high	199 Å²	199	47.4 Å²	47.4	75%	0.751	21%	0.213	S	C	*	.	S	Bend	trans	-79.4	-27	176.5	-56.8	-170.3	-159.7	-151.7	4.9	110.9	T474 Q478 E498	T474-R476 VanDerWaalsContact C-N 3.26Å; T474-R476 PolarHBondContact O-N 3.05Å; T474-R476 PolarHBondContact OG1-N 2.8Å; R476-Q478 PolarHBondContact O-N 2.96Å; R476-Q478 PolarHBondContact O-NE2 3.34Å; R476-E498 WeakPolarHBondContact CB-OE2 3.36Å
477	M	93.1	Very high	95	Very high	4 Å²	4	48 Å²	48	2%	0.02	22%	0.217	C	C	.	.			trans	-58.8	122.2	-171.1	-151	160.5	77.4	0	0	112.4	K456 I458 T474 V480 E498 W504	K456-M477 WeakPolarHBondContact O-CE 3.19Å; I458-M477 HydrophobicContact CD1-CE 4.15Å; I458-M477 HydrophobicContact CD1-SD 4.25Å; I458-M477 HydrophobicContact CG1-CE 4.21Å; T474-M477 WeakPolarHBondContact O-CB 3.44Å; T474-M477 PolarHBondContact O-N 2.57Å; T474-M477 VanDerWaalsContact O-N 3.17Å; T474-M477 PolarHBondContact OG1-N 2.97Å; T474-M477 VanDerWaalsContact OG1-N 3.11Å; M477-V480 HydrophobicContact CE-CG2 3.67Å; M477-V480 HydrophobicContact CG-CG2 4.15Å; M477-V480 HydrophobicContact SD-CG2 4.09Å; M477-E498 WeakPolarHBondContact CA-OE1 3.35Å; M477-W504 HydrophobicContact SD-CZ2 3.89Å
478	Q	93.8	Very high	95	Very high	65 Å²	65	43.4 Å²	43.4	30%	0.304	20%	0.202	S	C	.	.			trans	-96.9	-154.7	173.9	-57.6	-49.2	-43.7	0	0	109.9	K456 R476 V480 S496 D497 E498	K456-Q478 WeakPolarHBondContact CA-O 3.48Å; K456-Q478 WeakPolarHBondContact CB-O 3.33Å; R476-Q478 PolarHBondContact O-N 2.96Å; R476-Q478 PolarHBondContact O-NE2 3.34Å; Q478-V480 PolarHBondContact O-N 3.42Å; Q478-S496 PolarHBondContact N-OG 3.17Å; Q478-S496 PolarHBondContact O-OG 3.34Å; Q478-D497 HydrophobicContact CB-CB 4.27Å; Q478-E498 HydrophobicContact CB-CB 4.33Å; Q478-E498 HydrophobicContact CG-CB 4.02Å; Q478-E498 PolarHBondContact N-OE1 3.05Å
479	H	94.9	Very high	94.9	Very high	37 Å²	37	44 Å²	44	17%	0.171	21%	0.206	C	C	.	.			trans	-59.7	131.7	-179.1	-55.2	-70	0	0	0	109.3	F454 K456 S496 D497	F454-H479 AromaticContact CD1-CE1 3.72Å; F454-H479 AromaticContact CD1-ND1 3.51Å; F454-H479 HydrophobicContact CD2-CB 3.89Å; F454-H479 AromaticContact CD2-CG 3.67Å; F454-H479 AromaticContact CD2-ND1 3.4Å; F454-H479 WeakPolarHBondContact CD2-ND1 3.42Å; F454-H479 AromaticContact CE1-CE1 3.31Å; F454-H479 WeakPolarHBondContact CE1-CE1 3.25Å; F454-H479 AromaticContact CE1-ND1 3.51Å; F454-H479 HydrophobicContact CE2-CB 4.06Å; F454-H479 AromaticContact CE2-CD2 3.97Å; F454-H479 AromaticContact CE2-CE1 3.76Å; F454-H479 AromaticContact CE2-CG 3.51Å; F454-H479 AromaticContact CE2-ND1 3.4Å; F454-H479 WeakPolarHBondContact CE2-ND1 3.46Å; F454-H479 AromaticContact CG-ND1 3.45Å; F454-H479 WeakPolarHBondContact CG-ND1 3.46Å; F454-H479 AromaticContact CZ-CE1 3.33Å; F454-H479 WeakPolarHBondContact CZ-CE1 3.13Å; F454-H479 AromaticContact CZ-CG 3.9Å; F454-H479 AromaticContact CZ-ND1 3.45Å; F454-H479 WeakPolarHBondContact CZ-ND1 3.39Å; F454-H479 AromaticContact CZ-NE2 3.79Å; F454-H479 PolarHBondContact O-ND1 3.04Å; K456-H479 WeakPolarHBondContact CE-CE1 3.29Å; H479-S496 VanDerWaalsContact O-CA 3.31Å; H479-S496 WeakPolarHBondContact O-CA 3.37Å; H479-S496 WeakPolarHBondContact O-CB 3.31Å; H479-S496 PolarHBondContact O-OG 3.21Å; H479-D497 HydrophobicContact CB-CB 4.14Å; H479-D497 IonicContact CD2-OD2 3.48Å; H479-D497 PolarHBondContact O-N 3.47Å
480	V	96.8	Very high	94.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	106.4	-179.7	-170	0	0	0	0	107.2	A452 S453 I458 M477 Q478 C494	A452-V480 HydrophobicContact CB-CB 3.89Å; A452-V480 HydrophobicContact CB-CG1 3.52Å; S453-V480 PolarHBondContact O-N 2.91Å; I458-V480 HydrophobicContact CG1-CG1 4.11Å; I458-V480 HydrophobicContact CG1-CG2 4.25Å; M477-V480 HydrophobicContact CE-CG2 3.67Å; M477-V480 HydrophobicContact CG-CG2 4.15Å; M477-V480 HydrophobicContact SD-CG2 4.09Å; Q478-V480 PolarHBondContact O-N 3.42Å; V480-C494 HydrophobicContact CG1-CB 3.68Å
481	I	96.1	Very high	94.9	Very high	31 Å²	31	47.9 Å²	47.9	16%	0.159	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-51	-170.5	-56.3	171.9	0	0	0	109.7	L438 D439 G495 D497	L438-I481 WeakPolarHBondContact CB-O 3.43Å; D439-I481 VanDerWaalsContact CB-O 3.31Å; D439-I481 WeakPolarHBondContact CB-O 3.48Å; I481-G495 PolarHBondContact N-O 2.9Å; I481-G495 VanDerWaalsContact N-O 3.09Å; I481-D497 HydrophobicContact CD1-CB 4.21Å
482	C	95.7	Very high	94.9	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.034	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.7	-176.5	58.4	0	0	0	0	112.6	V221 N222 D439 C494 G495	V221-C482 PolarHBondContact O-SG 2.98Å; N222-C482 WeakPolarHBondContact O-CB 3.46Å; D439-C482 WeakPolarHBondContact OD2-CA 3.44Å; C482-C494 CarbonylContact O-C 3.53Å; C482-C494 WeakPolarHBondContact O-CA 3.45Å; C482-G495 PolarHBondContact N-O 2.83Å; C482-G495 PolarHBondContact O-N 2.82Å
483	V	97.4	Very high	94.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	136.7	-177.7	76.9	0	0	0	0	111.4	D439 D441 V450 A452 I458 I492 M493 C494	D439-V483 HydrophobicContact CB-CG1 4.23Å; D439-V483 PolarHBondContact OD2-N 3.35Å; D441-V483 WeakPolarHBondContact CB-O 3.17Å; V450-V483 HydrophobicContact CG1-CB 4.29Å; V450-V483 HydrophobicContact CG1-CG1 3.95Å; V450-V483 HydrophobicContact CG1-CG2 3.35Å; A452-V483 HydrophobicContact CB-CB 3.82Å; A452-V483 HydrophobicContact CB-CG1 3.84Å; I458-V483 HydrophobicContact CG2-CG2 4.25Å; V483-I492 HydrophobicContact CG2-CG2 3.83Å; V483-M493 CarbonylContact C-O 3.33Å; V483-M493 VanDerWaalsContact CA-O 3.27Å; V483-M493 WeakPolarHBondContact CA-O 3.31Å; V483-M493 WeakPolarHBondContact CG2-O 3.39Å; V483-C494 HydrophobicContact CG2-CB 4.18Å
484	K	97.1	Very high	94.9	Very high	29 Å²	29	44.5 Å²	44.5	13%	0.126	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	142.4	-179.5	-64.3	-70.2	156.3	-104.2	0	111.3	L224 D439 D441 M493	L224-K484 HydrophobicContact CB-CG 3.93Å; D439-K484 IonicContact OD1-NZ 2.74Å; D439-K484 PolarHBondContact OD1-NZ 3.4Å; D439-K484 VanDerWaalsContact OD1-NZ 3.1Å; D439-K484 IonicContact OD2-NZ 3.78Å; D439-K484 PolarHBondContact OD2-NZ 2.76Å; D441-K484 HydrophobicContact CB-CD 4.14Å; D441-K484 IonicContact OD1-NZ 3.21Å; D441-K484 WeakPolarHBondContact OD2-CA 3.2Å; K484-M493 PolarHBondContact N-O 3.24Å; K484-M493 PolarHBondContact O-N 3.04Å
485	W	96.8	Very high	94.9	Very high	7 Å²	7	42.6 Å²	42.6	3%	0.027	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	142.9	166.1	-84.3	79.5	0	0	0	110.5	D441 E448 V450 I460 S489 I492 A506	D441-W485 PolarHBondContact O-NE1 3.18Å; D441-W485 PolarHBondContact OD2-N 2.97Å; E448-W485 HydrophobicContact CB-CH2 4.39Å; E448-W485 HydrophobicContact CB-CZ2 4.1Å; V450-W485 HydrophobicContact CG2-CZ2 3.94Å; I460-W485 HydrophobicContact CG2-CZ2 4.32Å; W485-S489 WeakPolarHBondContact CZ3-O 3.23Å; W485-I492 HydrophobicContact CD2-CG1 4.36Å; W485-A506 HydrophobicContact CE3-CB 4.41Å; W485-A506 HydrophobicContact CH2-CB 3.49Å; W485-A506 VanDerWaalsContact CH2-CB 3.49Å; W485-A506 HydrophobicContact CZ2-CB 4.31Å; W485-A506 HydrophobicContact CZ3-CB 3.55Å
486	T	95.4	Very high	95.1	Very high	7 Å²	7	32.4 Å²	32.4	4%	0.043	15%	0.151	C	C	.	.			trans	-70.1	147.6	165.4	52.9	0	0	0	0	110.7	L248 D488 S489 Y491 M493	L248-T486 HydrophobicContact CD1-CG2 4.05Å; T486-D488 WeakPolarHBondContact CB-OD1 3.45Å; T486-D488 PolarHBondContact O-N 2.99Å; T486-D488 PolarHBondContact OG1-OD1 3.11Å; T486-S489 PolarHBondContact O-N 3.02Å; T486-Y491 PolarHBondContact N-O 2.81Å; T486-Y491 WeakPolarHBondContact OG1-CA 3.37Å; T486-Y491 WeakPolarHBondContact OG1-CB 3.2Å; T486-Y491 PolarHBondContact OG1-N 3.43Å; T486-Y491 PolarHBondContact OG1-O 2.78Å; T486-Y491 VanDerWaalsContact OG1-O 3.07Å; T486-M493 HydrophobicContact CG2-CG 4.42Å; T486-M493 HydrophobicContact CG2-SD 4.46Å
487	S	92.3	Very high	95.3	Very high	49 Å²	49	26.3 Å²	26.3	34%	0.343	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-13.1	-177	-51.4	0	0	0	0	114.1
488	D	92.6	Very high	95.1	Very high	38 Å²	38	27.6 Å²	27.6	20%	0.203	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-2.4	174.6	78.2	-23	0	0	0	114.4	L231 T486 K490 Y491	L231-D488 HydrophobicContact CD1-CB 3.85Å; L231-D488 HydrophobicContact CD2-CB 3.89Å; T486-D488 WeakPolarHBondContact CB-OD1 3.45Å; T486-D488 PolarHBondContact O-N 2.99Å; T486-D488 PolarHBondContact OG1-OD1 3.11Å; D488-K490 VanDerWaalsContact C-N 3.29Å; D488-K490 PolarHBondContact O-N 3.15Å; D488-K490 PolarHBondContact OD1-N 2.98Å; D488-K490 WeakPolarHBondContact OD2-CB 3.41Å; D488-K490 WeakPolarHBondContact OD2-CD 3.33Å; D488-Y491 WeakPolarHBondContact OD2-CE2 3.39Å
489	S	94.4	Very high	95.1	Very high	38 Å²	38	28 Å²	28	27%	0.266	14%	0.142	S	C	.	.	S	Bend	trans	57.1	29.9	-175.7	67.3	0	0	0	0	116	W485 T486	W485-S489 WeakPolarHBondContact CZ3-O 3.23Å; T486-S489 PolarHBondContact O-N 3.02Å
490	K	94.1	Very high	95	Very high	108 Å²	108	27.5 Å²	27.5	47%	0.47	14%	0.141	S	C	.	.	S	Bend	trans	-116.4	-24	176.4	-66.7	173	-167.1	157.2	0	114.4	D488 A506	D488-K490 VanDerWaalsContact C-N 3.29Å; D488-K490 PolarHBondContact O-N 3.15Å; D488-K490 PolarHBondContact OD1-N 2.98Å; D488-K490 WeakPolarHBondContact OD2-CB 3.41Å; D488-K490 WeakPolarHBondContact OD2-CD 3.33Å; K490-A506 PolarHBondContact O-N 2.95Å
491	Y	95.9	Very high	95	Very high	58 Å²	58	27.5 Å²	27.5	23%	0.227	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	159.8	-176.1	-48.3	-83.1	0	0	0	112.4	L211 T486 D488 W504 K505 L512	L211-Y491 HydrophobicContact CD2-CD1 3.99Å; L211-Y491 HydrophobicContact CD2-CE1 3.78Å; T486-Y491 PolarHBondContact N-O 2.81Å; T486-Y491 WeakPolarHBondContact OG1-CA 3.37Å; T486-Y491 WeakPolarHBondContact OG1-CB 3.2Å; T486-Y491 PolarHBondContact OG1-N 3.43Å; T486-Y491 PolarHBondContact OG1-O 2.78Å; T486-Y491 VanDerWaalsContact OG1-O 3.07Å; D488-Y491 WeakPolarHBondContact OD2-CE2 3.39Å; Y491-W504 CarbonylContact C-O 3.54Å; Y491-W504 WeakPolarHBondContact CA-O 3.33Å; Y491-W504 WeakPolarHBondContact CB-O 3.24Å; Y491-K505 HydrophobicContact CD1-CG 4.38Å; Y491-K505 HydrophobicContact CE1-CG 4.35Å; Y491-L512 HydrophobicContact CE1-CD2 4.07Å; Y491-L512 WeakPolarHBondContact OH-CD2 3.45Å
492	I	97.3	Very high	94.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	131.3	-179	-59.2	164.4	0	0	0	106.5	V450 I458 I460 Y472 V483 W485 W504 A506	V450-I492 HydrophobicContact CB-CG2 4.44Å; V450-I492 HydrophobicContact CG1-CG2 3.84Å; V450-I492 HydrophobicContact CG2-CD1 3.4Å; V450-I492 VanDerWaalsContact CG2-CD1 3.4Å; V450-I492 HydrophobicContact CG2-CG1 3.84Å; V450-I492 HydrophobicContact CG2-CG2 4.15Å; I458-I492 HydrophobicContact CG2-CG2 4.44Å; I460-I492 HydrophobicContact CD1-CD1 3.46Å; I460-I492 VanDerWaalsContact CD1-CD1 3.46Å; I460-I492 HydrophobicContact CG1-CD1 3.88Å; Y472-I492 HydrophobicContact CE2-CD1 4.29Å; V483-I492 HydrophobicContact CG2-CG2 3.83Å; W485-I492 HydrophobicContact CD2-CG1 4.36Å; I492-W504 HydrophobicContact CB-CB 4.29Å; I492-W504 PolarHBondContact N-O 2.7Å; I492-W504 PolarHBondContact O-N 2.72Å; I492-A506 HydrophobicContact CD1-CB 4.03Å; I492-A506 HydrophobicContact CG1-CB 4.22Å
493	M	96.1	Very high	94.9	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.025	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	138.7	174.5	-65.3	-172.4	65.4	0	0	109.4	L214 L224 V234 L248 V483 K484 T486 I501 R502 L503	L214-M493 HydrophobicContact CD1-CE 4.31Å; L224-M493 HydrophobicContact CD1-CB 4.36Å; V234-M493 HydrophobicContact CB-CE 4.05Å; V234-M493 HydrophobicContact CB-SD 4.21Å; V234-M493 HydrophobicContact CG1-CE 3.6Å; V234-M493 HydrophobicContact CG1-SD 3.89Å; V234-M493 HydrophobicContact CG2-CE 4.18Å; V234-M493 HydrophobicContact CG2-SD 3.69Å; L248-M493 HydrophobicContact CD1-SD 4.08Å; L248-M493 HydrophobicContact CD2-CE 3.79Å; L248-M493 HydrophobicContact CD2-SD 3.84Å; V483-M493 CarbonylContact C-O 3.33Å; V483-M493 VanDerWaalsContact CA-O 3.27Å; V483-M493 WeakPolarHBondContact CA-O 3.31Å; V483-M493 WeakPolarHBondContact CG2-O 3.39Å; K484-M493 PolarHBondContact N-O 3.24Å; K484-M493 PolarHBondContact O-N 3.04Å; T486-M493 HydrophobicContact CG2-CG 4.42Å; T486-M493 HydrophobicContact CG2-SD 4.46Å; M493-I501 HydrophobicContact CE-CG2 3.74Å; M493-R502 WeakPolarHBondContact CA-O 3.44Å; M493-L503 HydrophobicContact CE-CD2 4.47Å; M493-L503 HydrophobicContact CG-CD2 3.55Å; M493-L503 HydrophobicContact CG-CG 4.47Å; M493-L503 HydrophobicContact SD-CD2 4.11Å
494	C	96.6	Very high	94.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	135.7	170.5	66.9	0	0	0	0	111	I458 V480 C482 V483 I501 R502 W504	I458-C494 HydrophobicContact CD1-CB 3.58Å; I458-C494 WeakPolarHBondContact CD1-SG 3.38Å; I458-C494 HydrophobicContact CG1-CB 4.27Å; V480-C494 HydrophobicContact CG1-CB 3.68Å; C482-C494 CarbonylContact O-C 3.53Å; C482-C494 WeakPolarHBondContact O-CA 3.45Å; V483-C494 HydrophobicContact CG2-CB 4.18Å; C494-I501 CarbonylContact O-C 3.59Å; C494-I501 VanDerWaalsContact O-CA 3.26Å; C494-I501 WeakPolarHBondContact O-CA 3.08Å; C494-R502 PolarHBondContact N-O 3.42Å; C494-R502 PolarHBondContact O-N 2.97Å; C494-W504 PolarHBondContact SG-NE1 2.75Å
495	G	95.8	Very high	94.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130.5	163.3	0	0	0	0	0	108.7	I481 C482	I481-G495 PolarHBondContact N-O 2.9Å; I481-G495 VanDerWaalsContact N-O 3.09Å; C482-G495 PolarHBondContact N-O 2.83Å; C482-G495 PolarHBondContact O-N 2.82Å
496	S	94.7	Very high	94.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	157	173	-169.9	0	0	0	0	110.3	V221 Q478 H479 E498 M499 N500	V221-S496 PolarHBondContact N-O 2.89Å; V221-S496 VanDerWaalsContact N-O 3.11Å; Q478-S496 PolarHBondContact N-OG 3.17Å; Q478-S496 PolarHBondContact O-OG 3.34Å; H479-S496 VanDerWaalsContact O-CA 3.31Å; H479-S496 WeakPolarHBondContact O-CA 3.37Å; H479-S496 WeakPolarHBondContact O-CB 3.31Å; H479-S496 PolarHBondContact O-OG 3.21Å; S496-E498 VanDerWaalsContact CB-OE1 3.3Å; S496-E498 WeakPolarHBondContact CB-OE1 3.5Å; S496-E498 PolarHBondContact O-N 2.93Å; S496-E498 VanDerWaalsContact O-N 3.14Å; S496-E498 PolarHBondContact OG-OE1 3.01Å; S496-E498 VanDerWaalsContact OG-OE1 3.11Å; S496-M499 PolarHBondContact O-N 3.36Å; S496-N500 PolarHBondContact N-O 3.43Å
497	D	93.8	Very high	94.9	Very high	72 Å²	72	28.3 Å²	28.3	39%	0.385	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-25.2	168.9	-160.7	43.3	0	0	0	113.2	G220 Q478 H479 I481 M499	G220-D497 VanDerWaalsContact CA-O 3.29Å; G220-D497 WeakPolarHBondContact CA-O 3.25Å; Q478-D497 HydrophobicContact CB-CB 4.27Å; H479-D497 HydrophobicContact CB-CB 4.14Å; H479-D497 IonicContact CD2-OD2 3.48Å; H479-D497 PolarHBondContact O-N 3.47Å; I481-D497 HydrophobicContact CD1-CB 4.21Å; D497-M499 PolarHBondContact O-N 2.97Å
498	E	90.3	Very high	95	Very high	31 Å²	31	26.1 Å²	26.1	15%	0.145	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	28	177.5	85.3	-152.1	105	0	0	114.8	R476 M477 Q478 S496 N500 R502	R476-E498 WeakPolarHBondContact CB-OE2 3.36Å; M477-E498 WeakPolarHBondContact CA-OE1 3.35Å; Q478-E498 HydrophobicContact CB-CB 4.33Å; Q478-E498 HydrophobicContact CG-CB 4.02Å; Q478-E498 PolarHBondContact N-OE1 3.05Å; S496-E498 VanDerWaalsContact CB-OE1 3.3Å; S496-E498 WeakPolarHBondContact CB-OE1 3.5Å; S496-E498 PolarHBondContact O-N 2.93Å; S496-E498 VanDerWaalsContact O-N 3.14Å; S496-E498 PolarHBondContact OG-OE1 3.01Å; S496-E498 VanDerWaalsContact OG-OE1 3.11Å; E498-N500 HydrophobicContact CG-CB 3.94Å; E498-N500 PolarHBondContact O-N 2.99Å; E498-N500 PolarHBondContact O-ND2 3.49Å; E498-R502 VanDerWaalsContact CD-NH2 3.28Å; E498-R502 IonicContact OE1-CZ 2.68Å; E498-R502 IonicContact OE1-NH1 2.67Å; E498-R502 PolarHBondContact OE1-NH1 3.35Å; E498-R502 IonicContact OE1-NH2 3.24Å; E498-R502 IonicContact OE2-CZ 3.5Å; E498-R502 IonicContact OE2-NH1 2.66Å; E498-R502 PolarHBondContact OE2-NH1 2.82Å; E498-R502 IonicContact OE2-NH2 3.53Å; E498-R502 PolarHBondContact OE2-NH2 3.3Å
499	M	92.8	Very high	95.1	Very high	74 Å²	74	26.5 Å²	26.5	37%	0.365	13%	0.134	S	C	.	.	S	Bend	trans	63.2	-14.4	-176.8	-46.3	117.6	-174.6	0	0	116.3	H217 R218 D219 V221 S496 D497	H217-M499 HydrophobicContact CB-CB 4.14Å; H217-M499 WeakPolarHBondContact O-CB 3.32Å; R218-M499 WeakPolarHBondContact O-CE 3.17Å; D219-M499 WeakPolarHBondContact O-CA 3.33Å; D219-M499 WeakPolarHBondContact O-CB 3.39Å; D219-M499 VanDerWaalsContact O-CG 3.31Å; D219-M499 WeakPolarHBondContact O-CG 3.45Å; V221-M499 VanDerWaalsContact CG2-O 3.3Å; V221-M499 WeakPolarHBondContact CG2-O 3.42Å; S496-M499 PolarHBondContact O-N 3.36Å; D497-M499 PolarHBondContact O-N 2.97Å
500	N	93.4	Very high	95.1	Very high	26 Å²	26	26.6 Å²	26.6	14%	0.139	13%	0.131	C	C	.	.			trans	-91.2	136.2	-171.6	-90.8	-107	0	0	0	113.2	S213 D215 S496 E498	S213-N500 PolarHBondContact OG-OD1 3.06Å; D215-N500 PolarHBondContact OD1-ND2 3.37Å; D215-N500 VanDerWaalsContact OD1-ND2 3.1Å; S496-N500 PolarHBondContact N-O 3.43Å; E498-N500 HydrophobicContact CG-CB 3.94Å; E498-N500 PolarHBondContact O-N 2.99Å; E498-N500 PolarHBondContact O-ND2 3.49Å
501	I	95.4	Very high	95	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	128.7	168.5	-51.6	164.7	0	0	0	108.2	S213 L214 V221 L224 S236 W246 M493 C494	S213-I501 CarbonylContact C-O 3.58Å; S213-I501 WeakPolarHBondContact CA-O 3.47Å; L214-I501 HydrophobicContact CB-CB 4.22Å; L214-I501 HydrophobicContact CD1-CG2 4.42Å; L214-I501 PolarHBondContact N-O 2.98Å; L214-I501 PolarHBondContact O-N 3.35Å; L214-I501 VanDerWaalsContact O-N 3.1Å; V221-I501 HydrophobicContact CG1-CG1 4.19Å; V221-I501 HydrophobicContact CG2-CG1 3.94Å; L224-I501 HydrophobicContact CD1-CG2 4.47Å; L224-I501 HydrophobicContact CD2-CD1 4.11Å; L224-I501 HydrophobicContact CD2-CG1 4.44Å; L224-I501 HydrophobicContact CD2-CG2 4.27Å; S236-I501 VanDerWaalsContact CB-CD1 3.42Å; S236-I501 WeakPolarHBondContact OG-CD1 3.44Å; W246-I501 HydrophobicContact CZ2-CD1 4.21Å; M493-I501 HydrophobicContact CE-CG2 3.74Å; C494-I501 CarbonylContact O-C 3.59Å; C494-I501 VanDerWaalsContact O-CA 3.26Å; C494-I501 WeakPolarHBondContact O-CA 3.08Å
502	R	95.7	Very high	94.7	Very high	11 Å²	11	28.4 Å²	28.4	4%	0.042	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	141.8	178.1	-67.6	-177.7	179.5	84.7	-4.3	113.4	F210 M493 C494 E498	F210-R502 HydrophobicContact CE2-CB 4.16Å; F210-R502 HydrophobicContact CE2-CG 3.92Å; M493-R502 WeakPolarHBondContact CA-O 3.44Å; C494-R502 PolarHBondContact N-O 3.42Å; C494-R502 PolarHBondContact O-N 2.97Å; E498-R502 VanDerWaalsContact CD-NH2 3.28Å; E498-R502 IonicContact OE1-CZ 2.68Å; E498-R502 IonicContact OE1-NH1 2.67Å; E498-R502 PolarHBondContact OE1-NH1 3.35Å; E498-R502 IonicContact OE1-NH2 3.24Å; E498-R502 IonicContact OE2-CZ 3.5Å; E498-R502 IonicContact OE2-NH1 2.66Å; E498-R502 PolarHBondContact OE2-NH1 2.82Å; E498-R502 IonicContact OE2-NH2 3.53Å; E498-R502 PolarHBondContact OE2-NH2 3.3Å
503	L	95.8	Very high	94.4	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	126.6	174.1	-76.5	157	0	0	0	110.1	L211 A212 L214 L248 M493	L211-L503 HydrophobicContact CB-CB 4.29Å; L211-L503 WeakPolarHBondContact CB-O 3.38Å; L211-L503 PolarHBondContact N-O 3.25Å; A212-L503 HydrophobicContact CB-CB 4.46Å; A212-L503 HydrophobicContact CB-CD1 4.34Å; A212-L503 PolarHBondContact N-O 3.44Å; A212-L503 PolarHBondContact O-N 3.14Å; L214-L503 HydrophobicContact CD1-CD1 4.2Å; L214-L503 HydrophobicContact CD2-CD1 4.24Å; L214-L503 HydrophobicContact CG-CD1 4.17Å; L248-L503 HydrophobicContact CD2-CD1 4.05Å; L248-L503 HydrophobicContact CD2-CD2 4Å; M493-L503 HydrophobicContact CE-CD2 4.47Å; M493-L503 HydrophobicContact CG-CD2 3.55Å; M493-L503 HydrophobicContact CG-CG 4.47Å; M493-L503 HydrophobicContact SD-CD2 4.11Å
504	W	97	Very high	94.2	Very high	5 Å²	5	38.5 Å²	38.5	2%	0.019	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	152.5	179.3	-55	88.5	0	0	0	110.3	P209 F210 I458 Y472 T474 M477 Y491 I492 C494	P209-W504 HydrophobicContact CB-CE3 4.1Å; P209-W504 HydrophobicContact CG-CE3 4.19Å; P209-W504 HydrophobicContact CG-CZ3 4.24Å; P209-W504 CarbonylContact O-C 3.6Å; P209-W504 VanDerWaalsContact O-CA 3.27Å; P209-W504 WeakPolarHBondContact O-CA 3.11Å; F210-W504 HydrophobicContact CB-CE3 3.92Å; F210-W504 HydrophobicContact CB-CH2 4.43Å; F210-W504 HydrophobicContact CB-CZ3 3.72Å; F210-W504 HydrophobicContact CD2-CD2 4.45Å; F210-W504 HydrophobicContact CD2-CE3 4.33Å; F210-W504 HydrophobicContact CD2-CH2 4.26Å; F210-W504 HydrophobicContact CD2-CZ2 4.34Å; F210-W504 HydrophobicContact CD2-CZ3 4.24Å; F210-W504 HydrophobicContact CG-CZ3 4.46Å; I458-W504 HydrophobicContact CD1-CZ2 4.39Å; Y472-W504 HydrophobicContact CD2-CB 3.99Å; Y472-W504 HydrophobicContact CD2-CD2 4.04Å; Y472-W504 AromaticContact CD2-CE3 3.91Å; Y472-W504 HydrophobicContact CD2-CE3 3.91Å; Y472-W504 HydrophobicContact CD2-CG 4.11Å; Y472-W504 HydrophobicContact CE2-CB 4.1Å; Y472-W504 HydrophobicContact CG-CD2 4.39Å; Y472-W504 AromaticContact CG-CE3 3.92Å; Y472-W504 HydrophobicContact CG-CE3 3.92Å; Y472-W504 HydrophobicContact CG-CZ3 4.21Å; T474-W504 HydrophobicContact CG2-CH2 3.47Å; T474-W504 VanDerWaalsContact CG2-CH2 3.47Å; T474-W504 HydrophobicContact CG2-CZ2 3.92Å; M477-W504 HydrophobicContact SD-CZ2 3.89Å; Y491-W504 CarbonylContact C-O 3.54Å; Y491-W504 WeakPolarHBondContact CA-O 3.33Å; Y491-W504 WeakPolarHBondContact CB-O 3.24Å; I492-W504 HydrophobicContact CB-CB 4.29Å; I492-W504 PolarHBondContact N-O 2.7Å; I492-W504 PolarHBondContact O-N 2.72Å; C494-W504 PolarHBondContact SG-NE1 2.75Å
505	K	97	Very high	94.1	Very high	28 Å²	28	40.9 Å²	40.9	12%	0.122	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	134.7	165.5	-57.2	179.5	-174.8	177	0	109.9	P209 Y472 Y491 N507 E510 L512	P209-K505 PolarHBondContact O-N 2.97Å; Y472-K505 WeakPolarHBondContact CE2-O 3.5Å; Y472-K505 VanDerWaalsContact CZ-O 3.31Å; Y472-K505 PolarHBondContact OH-O 3.32Å; Y491-K505 HydrophobicContact CD1-CG 4.38Å; Y491-K505 HydrophobicContact CE1-CG 4.35Å; K505-N507 VanDerWaalsContact C-N 3.31Å; K505-N507 PolarHBondContact O-N 3.06Å; K505-E510 PolarHBondContact NZ-O 3.49Å; K505-L512 HydrophobicContact CD-CD2 4.41Å
506	A	96.2	Very high	94.2	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.008	26%	0.255	C	S	.	.	S	Bend	trans	-60.2	-44.4	167.8	0	0	0	0	0	110.9	I460 Y472 W485 K490 I492	I460-A506 WeakPolarHBondContact CD1-O 3.41Å; Y472-A506 PolarHBondContact OH-O 2.83Å; W485-A506 HydrophobicContact CE3-CB 4.41Å; W485-A506 HydrophobicContact CH2-CB 3.49Å; W485-A506 VanDerWaalsContact CH2-CB 3.49Å; W485-A506 HydrophobicContact CZ2-CB 4.31Å; W485-A506 HydrophobicContact CZ3-CB 3.55Å; K490-A506 PolarHBondContact O-N 2.95Å; I492-A506 HydrophobicContact CD1-CB 4.03Å; I492-A506 HydrophobicContact CG1-CB 4.22Å
507	N	95.4	Very high	94.3	Very high	45 Å²	45	49.8 Å²	49.8	24%	0.241	29%	0.29	C	S	.	.	S	Bend	trans	-96.8	97.1	173.4	-63.6	-34.5	0	0	0	110.4	R469 K505 S509 E510	R469-N507 PolarHBondContact NH1-OD1 3.05Å; R469-N507 PolarHBondContact NH2-OD1 2.89Å; K505-N507 VanDerWaalsContact C-N 3.31Å; K505-N507 PolarHBondContact O-N 3.06Å; N507-S509 PolarHBondContact O-N 3.42Å; N507-S509 VanDerWaalsContact O-N 3.08Å; N507-E510 HydrophobicContact CB-CB 3.65Å; N507-E510 WeakPolarHBondContact CB-OE2 3.33Å; N507-E510 PolarHBondContact ND2-OE2 2.87Å; N507-E510 VanDerWaalsContact O-CB 3.29Å; N507-E510 WeakPolarHBondContact O-CB 3.33Å; N507-E510 PolarHBondContact O-N 3.29Å
508	A	95.5	Very high	94.4	Very high	3 Å²	3	56.9 Å²	56.9	3%	0.025	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-36.4	-174.9	0	0	0	0	0	115.4	A207 K208 P209 Y472	A207-A508 HydrophobicContact CB-CB 4.03Å; K208-A508 CarbonylContact C-O 3.52Å; K208-A508 PolarHBondContact N-O 3.35Å; P209-A508 HydrophobicContact CB-CB 3.82Å; P209-A508 HydrophobicContact CG-CB 4.3Å; Y472-A508 HydrophobicContact CE1-CB 4.18Å; Y472-A508 PolarHBondContact OH-N 3.07Å
509	S	94.8	Very high	94.7	Very high	45 Å²	45	58.7 Å²	58.7	32%	0.315	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	8.3	-178.4	71.6	0	0	0	0	114.2	E203 F206 N507 K511	E203-S509 WeakPolarHBondContact O-CB 3.44Å; F206-S509 WeakPolarHBondContact O-CA 3.39Å; N507-S509 PolarHBondContact O-N 3.42Å; N507-S509 VanDerWaalsContact O-N 3.08Å; S509-K511 PolarHBondContact O-N 2.85Å
510	E	93.4	Very high	94.8	Very high	41 Å²	41	61 Å²	61	19%	0.192	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-75.8	126.1	-177	-175.9	140.7	-125.4	0	0	111.6	K505 N507 K523	K505-E510 PolarHBondContact NZ-O 3.49Å; N507-E510 HydrophobicContact CB-CB 3.65Å; N507-E510 WeakPolarHBondContact CB-OE2 3.33Å; N507-E510 PolarHBondContact ND2-OE2 2.87Å; N507-E510 VanDerWaalsContact O-CB 3.29Å; N507-E510 WeakPolarHBondContact O-CB 3.33Å; N507-E510 PolarHBondContact O-N 3.29Å; E510-K523 IonicContact OE1-NZ 2.85Å; E510-K523 PolarHBondContact OE1-NZ 3.11Å
511	K	91.8	Very high	95	Very high	126 Å²	126	62.4 Å²	62.4	55%	0.548	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-70.5	133.7	171	-178.5	175.8	170.4	-174.7	0	108.5	S509 L515 E519	S509-K511 PolarHBondContact O-N 2.85Å; K511-L515 HydrophobicContact CB-CD2 4.29Å; K511-L515 HydrophobicContact CD-CD2 3.88Å; K511-L515 HydrophobicContact CG-CD2 4.27Å; K511-E519 IonicContact NZ-OE1 2.99Å; K511-E519 PolarHBondContact NZ-OE1 2.95Å
512	L	90	Very high	95	Very high	78 Å²	78	64.6 Å²	64.6	41%	0.408	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-82.5	155.6	177	-60.4	179.7	0	0	0	110.4	L211 Y491 K505	L211-L512 HydrophobicContact CD1-CD1 3.88Å; Y491-L512 HydrophobicContact CE1-CD2 4.07Å; Y491-L512 WeakPolarHBondContact OH-CD2 3.45Å; K505-L512 HydrophobicContact CD-CD2 4.41Å
513	G	89.9	Confident	95	Very high	69 Å²	69	68 Å²	68	71%	0.711	38%	0.376	S	S	*	.	S	Bend	trans	89.6	-175.6	-177.6	0	0	0	0	0	113.9
514	V	93.8	Very high	95	Very high	147 Å²	147	71 Å²	71	89%	0.891	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-77.5	132.7	179.2	-175.9	0	0	0	0	109.6
515	L	94.8	Very high	95	Very high	50 Å²	50	74.9 Å²	74.9	26%	0.262	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-93.1	139.6	174.1	-64	177.7	0	0	0	110.4	K511 E519 K523	K511-L515 HydrophobicContact CB-CD2 4.29Å; K511-L515 HydrophobicContact CD-CD2 3.88Å; K511-L515 HydrophobicContact CG-CD2 4.27Å; L515-E519 HydrophobicContact CB-CB 4.42Å; L515-K523 HydrophobicContact CD1-CD 4.23Å
516	T	96.8	Very high	95	Very high	82 Å²	82	76.2 Å²	76.2	50%	0.503	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-65.7	154	169.5	61.6	0	0	0	0	110.7	R518 E519 K520	T516-R518 PolarHBondContact O-N 3.31Å; T516-E519 WeakPolarHBondContact CB-OE2 3.45Å; T516-E519 WeakPolarHBondContact CG2-OE2 3.32Å; T516-E519 PolarHBondContact N-OE2 3.35Å; T516-E519 PolarHBondContact O-N 3.07Å; T516-E519 WeakPolarHBondContact OG1-CB 3.4Å; T516-E519 VanDerWaalsContact OG1-CG 3.25Å; T516-E519 WeakPolarHBondContact OG1-CG 3.4Å; T516-E519 PolarHBondContact OG1-N 3.48Å; T516-E519 PolarHBondContact OG1-OE2 3.36Å; T516-K520 PolarHBondContact O-N 3.18Å
517	S	96.7	Very high	95	Very high	106 Å²	106	80.3 Å²	80.3	74%	0.741	44%	0.435	S	S	*	.	H	α-helix	trans	-53.9	-39.1	178.5	-178.7	0	0	0	0	112.5	K520 A521	S517-K520 PolarHBondContact O-N 2.92Å; S517-A521 WeakPolarHBondContact O-CB 3.33Å; S517-A521 PolarHBondContact O-N 2.72Å
518	R	96.4	Very high	95.1	Very high	220 Å²	220	85.3 Å²	85.3	83%	0.83	46%	0.455	S	S	*	.	H	α-helix	trans	-66.5	-42.2	176.5	-173	177.3	178.8	178	-0.7	113	T516 A522	T516-R518 PolarHBondContact O-N 3.31Å; R518-A522 WeakPolarHBondContact O-CB 3.18Å; R518-A522 PolarHBondContact O-N 3.01Å
519	E	95.3	Very high	95.1	Very high	70 Å²	70	85.4 Å²	85.4	33%	0.327	46%	0.455	S	S	.	.	H	α-helix	trans	-65.6	-42.2	174.4	-75.1	169.7	117.3	0	0	111.6	K511 L515 T516 A522 K523	K511-E519 IonicContact NZ-OE1 2.99Å; K511-E519 PolarHBondContact NZ-OE1 2.95Å; L515-E519 HydrophobicContact CB-CB 4.42Å; T516-E519 WeakPolarHBondContact CB-OE2 3.45Å; T516-E519 WeakPolarHBondContact CG2-OE2 3.32Å; T516-E519 PolarHBondContact N-OE2 3.35Å; T516-E519 PolarHBondContact O-N 3.07Å; T516-E519 WeakPolarHBondContact OG1-CB 3.4Å; T516-E519 VanDerWaalsContact OG1-CG 3.25Å; T516-E519 WeakPolarHBondContact OG1-CG 3.4Å; T516-E519 PolarHBondContact OG1-N 3.48Å; T516-E519 PolarHBondContact OG1-OE2 3.36Å; E519-A522 PolarHBondContact O-N 2.76Å; E519-K523 WeakPolarHBondContact O-CB 3.48Å; E519-K523 PolarHBondContact O-N 2.6Å
520	K	95.7	Very high	95.2	Very high	122 Å²	122	85.4 Å²	85.4	53%	0.53	45%	0.449	S	S	.	.	H	α-helix	trans	-60.6	-52.3	176.9	-174.7	-178.5	176.7	-175.9	0	110.9	T516 S517 A522 K523 D524	T516-K520 PolarHBondContact O-N 3.18Å; S517-K520 PolarHBondContact O-N 2.92Å; K520-A522 VanDerWaalsContact C-N 3.26Å; K520-A522 PolarHBondContact O-N 3.32Å; K520-K523 WeakPolarHBondContact O-CB 3.3Å; K520-K523 PolarHBondContact O-N 3.29Å; K520-D524 PolarHBondContact O-N 3.27Å
521	A	97.1	Very high	95.3	Very high	56 Å²	56	88 Å²	88	46%	0.463	46%	0.461	S	S	.	.	H	α-helix	trans	-58.3	-36.8	176.8	0	0	0	0	0	112.7	S517 Y525	S517-A521 WeakPolarHBondContact O-CB 3.33Å; S517-A521 PolarHBondContact O-N 2.72Å; A521-Y525 VanDerWaalsContact O-CB 3.25Å; A521-Y525 WeakPolarHBondContact O-CB 3.31Å; A521-Y525 PolarHBondContact O-N 3.11Å
522	A	96.4	Very high	95.6	Very high	46 Å²	46	88 Å²	88	38%	0.38	46%	0.461	S	S	.	.	H	α-helix	trans	-68.3	-39.5	174.4	0	0	0	0	0	112.8	R518 E519 K520 N526	R518-A522 WeakPolarHBondContact O-CB 3.18Å; R518-A522 PolarHBondContact O-N 3.01Å; E519-A522 PolarHBondContact O-N 2.76Å; K520-A522 VanDerWaalsContact C-N 3.26Å; K520-A522 PolarHBondContact O-N 3.32Å; A522-N526 VanDerWaalsContact O-CB 3.28Å; A522-N526 WeakPolarHBondContact O-CB 3.47Å; A522-N526 PolarHBondContact O-N 2.82Å; A522-N526 PolarHBondContact O-ND2 2.63Å; A522-N526 VanDerWaalsContact O-ND2 3.12Å
523	K	94.6	Very high	95.9	Very high	82 Å²	82	84.6 Å²	84.6	36%	0.357	44%	0.443	S	S	.	.	H	α-helix	trans	-62.7	-47.7	174	-173	-170.5	177.5	-164.3	0	110.9	E510 L515 E519 K520 N526 Q527	E510-K523 IonicContact OE1-NZ 2.85Å; E510-K523 PolarHBondContact OE1-NZ 3.11Å; L515-K523 HydrophobicContact CD1-CD 4.23Å; E519-K523 WeakPolarHBondContact O-CB 3.48Å; E519-K523 PolarHBondContact O-N 2.6Å; K520-K523 WeakPolarHBondContact O-CB 3.3Å; K520-K523 PolarHBondContact O-N 3.29Å; K523-N526 PolarHBondContact O-N 3.47Å; K523-Q527 WeakPolarHBondContact O-CB 3.48Å; K523-Q527 PolarHBondContact O-N 3.42Å
524	D	96.6	Very high	96.2	Very high	69 Å²	69	86.1 Å²	86.1	37%	0.369	43%	0.432	S	S	.	.	H	α-helix	trans	-65.5	-42.3	-178.8	-61.4	-13.4	0	0	0	111.3	K520 Q527 K528	K520-D524 PolarHBondContact O-N 3.27Å; D524-Q527 PolarHBondContact O-N 2.91Å; D524-K528 WeakPolarHBondContact O-CG 3.29Å; D524-K528 PolarHBondContact O-N 2.75Å
525	Y	97.1	Very high	96.3	Very high	87 Å²	87	85.3 Å²	85.3	34%	0.341	42%	0.418	S	S	.	.	H	α-helix	trans	-61.1	-47	172.7	175.3	-108.8	0	0	0	112.1	R195 A521 Q527 K528 L529	R195-Y525 PolarHBondContact NH1-OH 3.49Å; A521-Y525 VanDerWaalsContact O-CB 3.25Å; A521-Y525 WeakPolarHBondContact O-CB 3.31Å; A521-Y525 PolarHBondContact O-N 3.11Å; Y525-Q527 VanDerWaalsContact C-N 3.3Å; Y525-Q527 PolarHBondContact O-N 2.81Å; Y525-K528 PolarHBondContact O-N 3.02Å; Y525-L529 HydrophobicContact CD1-CD1 4.09Å; Y525-L529 HydrophobicContact CE1-CD1 3.47Å; Y525-L529 VanDerWaalsContact CE1-CD1 3.47Å; Y525-L529 HydrophobicContact CE1-CG 4.22Å; Y525-L529 HydrophobicContact CE2-CD1 4.27Å; Y525-L529 HydrophobicContact CE2-CD2 4.46Å; Y525-L529 HydrophobicContact CE2-CG 4.2Å; Y525-L529 WeakPolarHBondContact O-CG 3.27Å; Y525-L529 PolarHBondContact O-N 3.43Å
526	N	96.9	Very high	96.4	Very high	55 Å²	55	88.2 Å²	88.2	29%	0.294	43%	0.426	S	S	.	.	H	α-helix	trans	-62.4	-37	176.6	-75.2	-25.4	0	0	0	111.9	A199 A522 K523 L529 K530	A199-N526 HydrophobicContact CB-CB 3.95Å; A522-N526 VanDerWaalsContact O-CB 3.28Å; A522-N526 WeakPolarHBondContact O-CB 3.47Å; A522-N526 PolarHBondContact O-N 2.82Å; A522-N526 PolarHBondContact O-ND2 2.63Å; A522-N526 VanDerWaalsContact O-ND2 3.12Å; K523-N526 PolarHBondContact O-N 3.47Å; N526-L529 PolarHBondContact O-N 2.96Å; N526-K530 WeakPolarHBondContact O-CG 3.21Å; N526-K530 PolarHBondContact O-N 3.36Å
527	Q	95.5	Very high	96.4	Very high	88 Å²	88	88.3 Å²	88.3	41%	0.411	43%	0.429	S	S	.	.	H	α-helix	trans	-64.3	-50.3	175.3	176.9	167	-17	0	0	111.8	K523 D524 Y525 L529 K530 E531	K523-Q527 WeakPolarHBondContact O-CB 3.48Å; K523-Q527 PolarHBondContact O-N 3.42Å; D524-Q527 PolarHBondContact O-N 2.91Å; Y525-Q527 VanDerWaalsContact C-N 3.3Å; Y525-Q527 PolarHBondContact O-N 2.81Å; Q527-L529 VanDerWaalsContact C-N 3.26Å; Q527-L529 PolarHBondContact O-N 2.85Å; Q527-K530 WeakPolarHBondContact O-CB 3.26Å; Q527-K530 PolarHBondContact O-N 2.71Å; Q527-E531 WeakPolarHBondContact CG-OE1 3.37Å; Q527-E531 PolarHBondContact NE2-OE1 2.81Å; Q527-E531 WeakPolarHBondContact O-CG 3.01Å; Q527-E531 PolarHBondContact O-N 3.48Å
528	K	97.7	Very high	96.4	Very high	149 Å²	149	88.1 Å²	88.1	65%	0.648	42%	0.415	S	S	*	.	H	α-helix	trans	-58.2	-38	176.1	-70.3	-177.5	178.7	-174.4	0	112.5	D524 Y525 E531 K532	D524-K528 WeakPolarHBondContact O-CG 3.29Å; D524-K528 PolarHBondContact O-N 2.75Å; Y525-K528 PolarHBondContact O-N 3.02Å; K528-E531 PolarHBondContact O-N 2.97Å; K528-K532 WeakPolarHBondContact O-CB 3.49Å; K528-K532 PolarHBondContact O-N 3.32Å
529	L	96.9	Very high	96.4	Very high	6 Å²	6	77.8 Å²	77.8	3%	0.031	38%	0.377	C	S	.	.	H	α-helix	trans	-64	-44.5	172.8	-77.6	-174.8	0	0	0	112.6	E192 R195 A196 Y525 N526 Q527 E531 K532 F533	E192-L529 HydrophobicContact CB-CD2 3.87Å; E192-L529 HydrophobicContact CG-CD2 3.98Å; R195-L529 HydrophobicContact CB-CD1 3.57Å; A196-L529 HydrophobicContact CB-CB 4.06Å; Y525-L529 HydrophobicContact CD1-CD1 4.09Å; Y525-L529 HydrophobicContact CE1-CD1 3.47Å; Y525-L529 VanDerWaalsContact CE1-CD1 3.47Å; Y525-L529 HydrophobicContact CE1-CG 4.22Å; Y525-L529 HydrophobicContact CE2-CD1 4.27Å; Y525-L529 HydrophobicContact CE2-CD2 4.46Å; Y525-L529 HydrophobicContact CE2-CG 4.2Å; Y525-L529 WeakPolarHBondContact O-CG 3.27Å; Y525-L529 PolarHBondContact O-N 3.43Å; N526-L529 PolarHBondContact O-N 2.96Å; Q527-L529 VanDerWaalsContact C-N 3.26Å; Q527-L529 PolarHBondContact O-N 2.85Å; L529-E531 VanDerWaalsContact C-N 3.3Å; L529-E531 PolarHBondContact O-N 3.08Å; L529-K532 PolarHBondContact O-N 3.03Å; L529-F533 HydrophobicContact CD2-CD2 4.46Å; L529-F533 HydrophobicContact CD2-CE2 4.08Å; L529-F533 WeakPolarHBondContact O-CD2 3.45Å; L529-F533 PolarHBondContact O-N 2.92Å
530	K	96.1	Very high	96.5	Very high	44 Å²	44	78.2 Å²	78.2	19%	0.191	38%	0.377	C	S	.	.	H	α-helix	trans	-60.1	-41.3	175.9	-71.7	-176.4	-54.6	178.2	0	111.7	A199 T200 E203 N526 Q527 Q534	A199-K530 HydrophobicContact CB-CD 4.41Å; A199-K530 HydrophobicContact CB-CG 4.21Å; T200-K530 HydrophobicContact CG2-CD 3.81Å; T200-K530 HydrophobicContact CG2-CG 3.75Å; E203-K530 IonicContact OE1-NZ 3.66Å; E203-K530 PolarHBondContact OE1-NZ 2.99Å; E203-K530 VanDerWaalsContact OE2-CD 3.24Å; E203-K530 WeakPolarHBondContact OE2-CD 3.25Å; E203-K530 IonicContact OE2-NZ 3.98Å; E203-K530 PolarHBondContact OE2-NZ 3.47Å; N526-K530 WeakPolarHBondContact O-CG 3.21Å; N526-K530 PolarHBondContact O-N 3.36Å; Q527-K530 WeakPolarHBondContact O-CB 3.26Å; Q527-K530 PolarHBondContact O-N 2.71Å; K530-Q534 VanDerWaalsContact O-CA 3.28Å; K530-Q534 WeakPolarHBondContact O-CA 3.3Å; K530-Q534 WeakPolarHBondContact O-CB 3.48Å; K530-Q534 PolarHBondContact O-N 3.35Å
531	E	95.8	Very high	96.5	Very high	96 Å²	96	80.5 Å²	80.5	45%	0.449	38%	0.383	S	S	.	.	H	α-helix	trans	-64	-50.5	177	-70.3	162.1	-174.6	0	0	111	Q527 K528 L529 F533 Q534	Q527-E531 WeakPolarHBondContact CG-OE1 3.37Å; Q527-E531 PolarHBondContact NE2-OE1 2.81Å; Q527-E531 WeakPolarHBondContact O-CG 3.01Å; Q527-E531 PolarHBondContact O-N 3.48Å; K528-E531 PolarHBondContact O-N 2.97Å; L529-E531 VanDerWaalsContact C-N 3.3Å; L529-E531 PolarHBondContact O-N 3.08Å; E531-F533 VanDerWaalsContact C-N 3.31Å; E531-F533 PolarHBondContact O-N 3.11Å; E531-Q534 WeakPolarHBondContact O-CB 3.18Å; E531-Q534 VanDerWaalsContact O-CG 3.3Å; E531-Q534 WeakPolarHBondContact O-CG 3.47Å; E531-Q534 PolarHBondContact O-N 3.06Å
532	K	97.4	Very high	96.5	Very high	127 Å²	127	80.1 Å²	80.1	55%	0.552	37%	0.372	S	S	*	.	H	α-helix	trans	-54.4	-42.8	176.2	-177.1	176.6	179.5	-179.1	0	112.9	E192 K528 L529	E192-K532 IonicContact OE1-NZ 2.64Å; E192-K532 IonicContact OE2-NZ 3.7Å; E192-K532 PolarHBondContact OE2-NZ 3.3Å; K528-K532 WeakPolarHBondContact O-CB 3.49Å; K528-K532 PolarHBondContact O-N 3.32Å; L529-K532 PolarHBondContact O-N 3.03Å
533	F	97.3	Very high	96.4	Very high	6 Å²	6	79.5 Å²	79.5	3%	0.026	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	12.5	-176.5	-65.4	-82.1	0	0	0	114.3	V189 E192 Y193 A196 L529 E531 H535 Y536 I539	V189-F533 HydrophobicContact CG1-CE1 4.24Å; V189-F533 HydrophobicContact CG1-CZ 4.26Å; E192-F533 HydrophobicContact CB-CE2 3.77Å; E192-F533 HydrophobicContact CB-CZ 3.96Å; Y193-F533 AromaticContact CD2-CD1 3.97Å; Y193-F533 HydrophobicContact CD2-CD1 3.97Å; Y193-F533 HydrophobicContact CD2-CE1 4.46Å; Y193-F533 HydrophobicContact CD2-CG 4.45Å; A196-F533 HydrophobicContact CB-CB 4.07Å; A196-F533 HydrophobicContact CB-CD2 3.84Å; A196-F533 HydrophobicContact CB-CG 4.22Å; L529-F533 HydrophobicContact CD2-CD2 4.46Å; L529-F533 HydrophobicContact CD2-CE2 4.08Å; L529-F533 WeakPolarHBondContact O-CD2 3.45Å; L529-F533 PolarHBondContact O-N 2.92Å; E531-F533 VanDerWaalsContact C-N 3.31Å; E531-F533 PolarHBondContact O-N 3.11Å; F533-H535 PolarHBondContact O-N 3.28Å; F533-Y536 HydrophobicContact CB-CD2 4.12Å; F533-Y536 AromaticContact CD1-CD2 3.86Å; F533-Y536 HydrophobicContact CD1-CD2 3.86Å; F533-Y536 AromaticContact CD1-CE2 3.58Å; F533-Y536 HydrophobicContact CD1-CE2 3.58Å; F533-Y536 HydrophobicContact CE1-CE2 4.27Å; F533-Y536 HydrophobicContact CG-CD2 4.5Å; F533-Y536 WeakPolarHBondContact O-CB 3.47Å; F533-Y536 WeakPolarHBondContact O-CD2 3.46Å; F533-Y536 PolarHBondContact O-N 3.47Å; F533-Y536 VanDerWaalsContact O-N 3.12Å; F533-I539 HydrophobicContact CB-CD1 3.63Å
534	Q	95.4	Very high	96.4	Very high	100 Å²	100	84.2 Å²	84.2	47%	0.467	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-26.7	-170.1	71.5	-178.8	-14	0	0	115.1	K530 E531 K540	K530-Q534 VanDerWaalsContact O-CA 3.28Å; K530-Q534 WeakPolarHBondContact O-CA 3.3Å; K530-Q534 WeakPolarHBondContact O-CB 3.48Å; K530-Q534 PolarHBondContact O-N 3.35Å; E531-Q534 WeakPolarHBondContact O-CB 3.18Å; E531-Q534 VanDerWaalsContact O-CG 3.3Å; E531-Q534 WeakPolarHBondContact O-CG 3.47Å; E531-Q534 PolarHBondContact O-N 3.06Å; Q534-K540 WeakPolarHBondContact O-CB 3.27Å
535	H	95.9	Very high	96.2	Very high	131 Å²	131	87.4 Å²	87.4	61%	0.606	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-16.9	-176	-63.2	-82.3	0	0	0	113.4	F533	F533-H535 PolarHBondContact O-N 3.28Å
536	Y	96.8	Very high	96.1	Very high	110 Å²	110	86.2 Å²	86.2	43%	0.431	39%	0.39	S	S	.	.	S	Bend	trans	-64.3	134	-176	-81.5	-105.7	0	0	0	111.5	Y193 F533 H538 I539 K540	Y193-Y536 HydrophobicContact CD2-CD1 4.12Å; Y193-Y536 HydrophobicContact CD2-CE1 4.49Å; Y193-Y536 HydrophobicContact CD2-CG 4.37Å; Y193-Y536 AromaticContact CE2-CD1 3.73Å; Y193-Y536 HydrophobicContact CE2-CD1 3.73Å; Y193-Y536 HydrophobicContact CE2-CE1 4.47Å; Y193-Y536 AromaticContact CE2-CG 3.98Å; Y193-Y536 HydrophobicContact CE2-CG 3.98Å; F533-Y536 HydrophobicContact CB-CD2 4.12Å; F533-Y536 AromaticContact CD1-CD2 3.86Å; F533-Y536 HydrophobicContact CD1-CD2 3.86Å; F533-Y536 AromaticContact CD1-CE2 3.58Å; F533-Y536 HydrophobicContact CD1-CE2 3.58Å; F533-Y536 HydrophobicContact CE1-CE2 4.27Å; F533-Y536 HydrophobicContact CG-CD2 4.5Å; F533-Y536 WeakPolarHBondContact O-CB 3.47Å; F533-Y536 WeakPolarHBondContact O-CD2 3.46Å; F533-Y536 PolarHBondContact O-N 3.47Å; F533-Y536 VanDerWaalsContact O-N 3.12Å; Y536-H538 PolarHBondContact O-N 2.81Å; Y536-I539 PolarHBondContact O-N 3.01Å; Y536-K540 WeakPolarHBondContact O-CB 3.5Å; Y536-K540 PolarHBondContact O-N 2.81Å
537	P	96.7	Very high	95.9	Very high	85 Å²	85	90.8 Å²	90.8	55%	0.552	41%	0.41	S	S	*	.	H	α-helix	trans	-54.8	-41.8	-168.9	-30.2	35.7	0	0	0	115.6	R541	P537-R541 WeakPolarHBondContact O-CB 3.25Å; P537-R541 PolarHBondContact O-N 3.37Å
538	H	96.6	Very high	95.9	Very high	101 Å²	101	88.5 Å²	88.5	47%	0.468	40%	0.4	S	S	.	.	H	α-helix	trans	-68.3	-49.1	-179.9	-64.1	-79.6	0	0	0	112.1	L197 Y536 R541 I542	L197-H538 HydrophobicContact CD1-CB 4.32Å; Y536-H538 PolarHBondContact O-N 2.81Å; H538-R541 PolarHBondContact O-N 2.84Å; H538-I542 WeakPolarHBondContact O-CG1 3.46Å; H538-I542 PolarHBondContact O-N 2.9Å
539	I	97.1	Very high	95.8	Very high	3 Å²	3	83.1 Å²	83.1	2%	0.015	38%	0.38	C	S	.	.	H	α-helix	trans	-60.6	-50.5	177.5	-72.9	173.7	0	0	0	109.9	Y193 A196 L197 T200 F533 Y536 R541 I542 A543	Y193-I539 HydrophobicContact CD2-CD1 3.84Å; Y193-I539 HydrophobicContact CE2-CD1 3.61Å; Y193-I539 HydrophobicContact CE2-CG1 4.25Å; A196-I539 HydrophobicContact CB-CD1 3.85Å; L197-I539 HydrophobicContact CB-CG1 4.34Å; L197-I539 HydrophobicContact CD1-CG1 4.05Å; T200-I539 HydrophobicContact CG2-CG2 3.89Å; F533-I539 HydrophobicContact CB-CD1 3.63Å; Y536-I539 PolarHBondContact O-N 3.01Å; I539-R541 VanDerWaalsContact C-N 3.33Å; I539-R541 PolarHBondContact O-N 2.85Å; I539-I542 PolarHBondContact O-N 2.97Å; I539-A543 WeakPolarHBondContact O-CB 3.42Å; I539-A543 PolarHBondContact O-N 3.36Å
540	K	96.3	Very high	95.7	Very high	79 Å²	79	91.9 Å²	91.9	34%	0.343	42%	0.418	S	S	.	.	H	α-helix	trans	-58.2	-39.6	177.7	-170.9	176.5	-179	-179.6	0	112.9	Q534 Y536 R544	Q534-K540 WeakPolarHBondContact O-CB 3.27Å; Y536-K540 WeakPolarHBondContact O-CB 3.5Å; Y536-K540 PolarHBondContact O-N 2.81Å; K540-R544 WeakPolarHBondContact O-CB 3.47Å; K540-R544 WeakPolarHBondContact O-CD 3.45Å; K540-R544 WeakPolarHBondContact O-CG 3.4Å; K540-R544 PolarHBondContact O-N 3.41Å; K540-R544 VanDerWaalsContact O-N 3.14Å
541	R	97.1	Very high	95.5	Very high	170 Å²	170	93.3 Å²	93.3	64%	0.642	43%	0.434	S	S	*	.	H	α-helix	trans	-67.7	-49.3	177.2	-172.6	-172.6	-58.3	164.3	1.7	111.4	P537 H538 I539 R544 H545	P537-R541 WeakPolarHBondContact O-CB 3.25Å; P537-R541 PolarHBondContact O-N 3.37Å; H538-R541 PolarHBondContact O-N 2.84Å; I539-R541 VanDerWaalsContact C-N 3.33Å; I539-R541 PolarHBondContact O-N 2.85Å; R541-R544 PolarHBondContact O-N 3.49Å; R541-H545 WeakPolarHBondContact O-CB 3.38Å; R541-H545 PolarHBondContact O-N 3.02Å
542	I	96.8	Very high	95.5	Very high	48 Å²	48	88.9 Å²	88.9	25%	0.246	41%	0.413	C	S	.	.	H	α-helix	trans	-64.7	-42	179.2	-67.3	164.8	0	0	0	110.9	L197 K201 R204 H538 I539 R544	L197-I542 HydrophobicContact CD1-CD1 3.72Å; K201-I542 HydrophobicContact CG-CD1 4.22Å; R204-I542 HydrophobicContact CG-CG2 4.04Å; R204-I542 PolarHBondContact NE-O 3.12Å; H538-I542 WeakPolarHBondContact O-CG1 3.46Å; H538-I542 PolarHBondContact O-N 2.9Å; I539-I542 PolarHBondContact O-N 2.97Å; I542-R544 VanDerWaalsContact C-N 3.34Å; I542-R544 PolarHBondContact O-N 3.18Å
543	A	94.6	Very high	95.4	Very high	34 Å²	34	90 Å²	90	28%	0.281	42%	0.415	S	S	.	.	H	α-helix	trans	-63.9	-36.8	178.1	0	0	0	0	0	112.6	R204 I539	R204-A543 PolarHBondContact NE-O 3.32Å; R204-A543 PolarHBondContact NH2-O 3.07Å; I539-A543 WeakPolarHBondContact O-CB 3.42Å; I539-A543 PolarHBondContact O-N 3.36Å
544	R	93	Very high	95.3	Very high	180 Å²	180	92.4 Å²	92.4	68%	0.679	43%	0.432	S	S	*	.	H	α-helix	trans	-85.1	-23.9	-179.8	-71.6	174.5	176	-157.1	-7.5	114.7	K540 R541 I542 R546	K540-R544 WeakPolarHBondContact O-CB 3.47Å; K540-R544 WeakPolarHBondContact O-CD 3.45Å; K540-R544 WeakPolarHBondContact O-CG 3.4Å; K540-R544 PolarHBondContact O-N 3.41Å; K540-R544 VanDerWaalsContact O-N 3.14Å; R541-R544 PolarHBondContact O-N 3.49Å; I542-R544 VanDerWaalsContact C-N 3.34Å; I542-R544 PolarHBondContact O-N 3.18Å; R544-R546 PolarHBondContact O-N 2.74Å
545	H	93.9	Very high	95.3	Very high	137 Å²	137	91.6 Å²	91.6	63%	0.634	43%	0.429	S	S	*	.			trans	-65.8	120.3	-174.2	177.5	-90	0	0	0	111.9	R541	R541-H545 WeakPolarHBondContact O-CB 3.38Å; R541-H545 PolarHBondContact O-N 3.02Å
546	R	93.3	Very high	95.3	Very high	61 Å²	61	86.9 Å²	86.9	23%	0.23	41%	0.408	C	S	.	.			trans	-128.8	143.1	172.5	-58.7	-57.1	176.9	108.8	1.9	110.2	R204 R469 E470 R544	R204-R546 VanDerWaalsContact NH2-NH2 3.16Å; R469-R546 PolarHBondContact O-NH2 3.26Å; E470-R546 IonicContact OE1-CZ 2.89Å; E470-R546 IonicContact OE1-NH1 2.83Å; E470-R546 IonicContact OE1-NH2 3.4Å; E470-R546 PolarHBondContact OE1-NH2 2.82Å; E470-R546 IonicContact OE2-CZ 3.62Å; E470-R546 IonicContact OE2-NH1 3.94Å; E470-R546 PolarHBondContact OE2-NH1 2.96Å; E470-R546 IonicContact OE2-NH2 3.94Å; E470-R546 PolarHBondContact OE2-NH2 3.3Å; R544-R546 PolarHBondContact O-N 2.74Å
547	H	93.5	Very high	95.2	Very high	152 Å²	152	85.2 Å²	85.2	70%	0.704	40%	0.404	S	S	*	.			trans	-79.5	120.6	165.7	-176.3	73.3	0	0	0	108.8	H473	H473-H547 PolarHBondContact NE2-O 2.88Å
548	L	94.9	Very high	95.2	Very high	39 Å²	39	85.3 Å²	85.3	20%	0.204	40%	0.397	C	S	.	.			trans	-113.2	152.3	174.5	-63.5	175.4	0	0	0	109.6	V471 I556	V471-L548 HydrophobicContact CB-CD2 4.25Å; V471-L548 HydrophobicContact CG1-CD2 3.88Å; L548-I556 HydrophobicContact CD1-CD1 3.81Å
549	P	95.5	Very high	95	Very high	36 Å²	36	82 Å²	82	23%	0.234	38%	0.382	C	S	.	.			trans	-56.9	148.4	170.4	-21.9	33.9	0	0	0	111.7	H473 S551 I552 Y553	H473-P549 HydrophobicContact CB-CG 4.43Å; P549-S551 VanDerWaalsContact C-N 3.27Å; P549-S551 PolarHBondContact O-N 2.83Å; P549-I552 HydrophobicContact CB-CD1 4.48Å; P549-I552 HydrophobicContact CB-CG1 4.28Å; P549-I552 HydrophobicContact CG-CD1 3.92Å; P549-I552 HydrophobicContact CG-CG1 4.26Å; P549-I552 PolarHBondContact O-N 2.82Å; P549-Y553 WeakPolarHBondContact O-CB 3.27Å; P549-Y553 PolarHBondContact O-N 2.86Å
550	K	94.6	Very high	94.9	Very high	191 Å²	191	87.5 Å²	87.5	83%	0.83	40%	0.402	S	S	*	.	H	α-helix	trans	-58.2	-37.7	-178.3	-175.9	179.4	176.3	-173.8	0	112.7	Y553 S554	K550-Y553 PolarHBondContact O-N 2.98Å; K550-S554 PolarHBondContact O-N 2.99Å
551	S	93.2	Very high	95	Very high	73 Å²	73	88.3 Å²	88.3	51%	0.51	41%	0.409	S	S	.	.	H	α-helix	trans	-58.6	-58.6	175.7	45.2	0	0	0	0	111.6	P549 Y553 S554 Q555	P549-S551 VanDerWaalsContact C-N 3.27Å; P549-S551 PolarHBondContact O-N 2.83Å; S551-Y553 VanDerWaalsContact C-N 3.28Å; S551-Y553 PolarHBondContact O-N 3.15Å; S551-S554 PolarHBondContact O-N 3.18Å; S551-Q555 WeakPolarHBondContact O-CG 3.49Å; S551-Q555 PolarHBondContact O-N 3.26Å
552	I	95.1	Very high	94.9	Very high	4 Å²	4	86 Å²	86	2%	0.021	41%	0.407	C	S	.	.	H	α-helix	trans	-56.6	-43.5	178	-57.1	-172.8	0	0	0	110.3	V434 D455 P549 Q555 I556	V434-I552 HydrophobicContact CG2-CG2 3.9Å; D455-I552 VanDerWaalsContact O-CD1 3.24Å; D455-I552 WeakPolarHBondContact O-CD1 3.47Å; P549-I552 HydrophobicContact CB-CD1 4.48Å; P549-I552 HydrophobicContact CB-CG1 4.28Å; P549-I552 HydrophobicContact CG-CD1 3.92Å; P549-I552 HydrophobicContact CG-CG1 4.26Å; P549-I552 PolarHBondContact O-N 2.82Å; I552-Q555 PolarHBondContact O-N 2.82Å; I552-I556 HydrophobicContact CG2-CD1 3.81Å; I552-I556 HydrophobicContact CG2-CG1 4.37Å; I552-I556 WeakPolarHBondContact O-CB 3.47Å; I552-I556 VanDerWaalsContact O-CG1 3.23Å; I552-I556 WeakPolarHBondContact O-CG1 3.5Å; I552-I556 PolarHBondContact O-N 2.65Å
553	Y	95.1	Very high	94.6	Very high	149 Å²	149	88.5 Å²	88.5	58%	0.584	42%	0.416	S	S	*	.	H	α-helix	trans	-64.1	-42.2	179.6	-174.6	-93.2	0	0	0	113.4	P549 K550 S551 Q557	P549-Y553 WeakPolarHBondContact O-CB 3.27Å; P549-Y553 PolarHBondContact O-N 2.86Å; K550-Y553 PolarHBondContact O-N 2.98Å; S551-Y553 VanDerWaalsContact C-N 3.28Å; S551-Y553 PolarHBondContact O-N 3.15Å; Y553-Q557 PolarHBondContact O-N 3.11Å
554	S	96.1	Very high	94.7	Very high	57 Å²	57	91.7 Å²	91.7	40%	0.399	43%	0.426	S	S	.	.	H	α-helix	trans	-62	-51.4	176.2	-161.6	0	0	0	0	110.8	K550 S551 I556 Q557 E558	K550-S554 PolarHBondContact O-N 2.99Å; S551-S554 PolarHBondContact O-N 3.18Å; S554-I556 VanDerWaalsContact C-N 3.35Å; S554-I556 PolarHBondContact O-N 2.99Å; S554-Q557 WeakPolarHBondContact O-CA 3.22Å; S554-Q557 WeakPolarHBondContact O-CB 3.23Å; S554-Q557 PolarHBondContact O-N 2.76Å; S554-E558 WeakPolarHBondContact CB-OE1 3.49Å; S554-E558 WeakPolarHBondContact O-CG 3.43Å; S554-E558 PolarHBondContact O-N 2.91Å; S554-E558 PolarHBondContact OG-OE1 2.77Å
555	Q	95.7	Very high	94.9	Very high	84 Å²	84	85 Å²	85	39%	0.393	41%	0.409	S	S	.	.	H	α-helix	trans	-64.1	-36	-177.9	-67.2	172.1	-33.1	0	0	112.4	V434 S551 I552 Q557 E558 Q559	V434-Q555 HydrophobicContact CG1-CB 3.31Å; V434-Q555 HydrophobicContact CG1-CG 4.19Å; S551-Q555 WeakPolarHBondContact O-CG 3.49Å; S551-Q555 PolarHBondContact O-N 3.26Å; I552-Q555 PolarHBondContact O-N 2.82Å; Q555-Q557 VanDerWaalsContact C-N 3.3Å; Q555-Q557 PolarHBondContact O-N 3.48Å; Q555-E558 PolarHBondContact O-N 3.22Å; Q555-Q559 WeakPolarHBondContact O-CB 3.45Å; Q555-Q559 VanDerWaalsContact O-CG 3.28Å; Q555-Q559 WeakPolarHBondContact O-CG 3.35Å; Q555-Q559 PolarHBondContact O-N 3.44Å
556	I	95.3	Very high	94.8	Very high	31 Å²	31	86.9 Å²	86.9	16%	0.159	41%	0.41	C	S	.	.	H	α-helix	trans	-58.9	-41.9	170.6	-74.4	170.4	0	0	0	111.2	V434 L548 I552 S554 R560	V434-I556 HydrophobicContact CG2-CD1 4.13Å; V434-I556 HydrophobicContact CG2-CG1 3.43Å; V434-I556 VanDerWaalsContact CG2-CG1 3.43Å; L548-I556 HydrophobicContact CD1-CD1 3.81Å; I552-I556 HydrophobicContact CG2-CD1 3.81Å; I552-I556 HydrophobicContact CG2-CG1 4.37Å; I552-I556 WeakPolarHBondContact O-CB 3.47Å; I552-I556 VanDerWaalsContact O-CG1 3.23Å; I552-I556 WeakPolarHBondContact O-CG1 3.5Å; I552-I556 PolarHBondContact O-N 2.65Å; S554-I556 VanDerWaalsContact C-N 3.35Å; S554-I556 PolarHBondContact O-N 2.99Å; I556-R560 WeakPolarHBondContact O-CB 3.29Å; I556-R560 PolarHBondContact O-N 2.79Å
557	Q	95.3	Very high	94.8	Very high	76 Å²	76	91.7 Å²	91.7	36%	0.355	43%	0.428	S	S	.	.	H	α-helix	trans	-71.9	-41.4	-179	-176.2	62.4	12.4	0	0	111.3	Y553 S554 Q555 R560 I561	Y553-Q557 PolarHBondContact O-N 3.11Å; S554-Q557 WeakPolarHBondContact O-CA 3.22Å; S554-Q557 WeakPolarHBondContact O-CB 3.23Å; S554-Q557 PolarHBondContact O-N 2.76Å; Q555-Q557 VanDerWaalsContact C-N 3.3Å; Q555-Q557 PolarHBondContact O-N 3.48Å; Q557-R560 PolarHBondContact O-N 2.99Å; Q557-I561 HydrophobicContact CG-CD1 4.21Å; Q557-I561 VanDerWaalsContact O-CG1 3.29Å; Q557-I561 WeakPolarHBondContact O-CG1 3.46Å; Q557-I561 PolarHBondContact O-N 2.64Å
558	E	95.7	Very high	94.8	Very high	86 Å²	86	92.1 Å²	92.1	40%	0.402	42%	0.424	S	S	.	.	H	α-helix	trans	-59	-50.3	172.4	-69.5	155.2	-137.2	0	0	111.2	S554 Q555 R560 I561 M562	S554-E558 WeakPolarHBondContact CB-OE1 3.49Å; S554-E558 WeakPolarHBondContact O-CG 3.43Å; S554-E558 PolarHBondContact O-N 2.91Å; S554-E558 PolarHBondContact OG-OE1 2.77Å; Q555-E558 PolarHBondContact O-N 3.22Å; E558-R560 VanDerWaalsContact C-N 3.3Å; E558-R560 PolarHBondContact O-N 3.19Å; E558-I561 PolarHBondContact O-N 3.21Å; E558-I561 VanDerWaalsContact O-N 3.14Å; E558-M562 WeakPolarHBondContact O-CG 3.43Å; E558-M562 PolarHBondContact O-N 2.96Å
559	Q	93.7	Very high	94.8	Very high	32 Å²	32	98 Å²	98	15%	0.15	45%	0.448	C	S	.	.	H	α-helix	trans	-60.9	-36.5	176.2	-74.9	-175.3	3.1	0	0	112.9	Y413 V434 Q555 M562 K563	Y413-Q559 VanDerWaalsContact CD2-NE2 3.34Å; V434-Q559 PolarHBondContact O-NE2 3.33Å; Q555-Q559 WeakPolarHBondContact O-CB 3.45Å; Q555-Q559 VanDerWaalsContact O-CG 3.28Å; Q555-Q559 WeakPolarHBondContact O-CG 3.35Å; Q555-Q559 PolarHBondContact O-N 3.44Å; Q559-M562 PolarHBondContact O-N 3.32Å; Q559-K563 VanDerWaalsContact O-CB 3.31Å; Q559-K563 WeakPolarHBondContact O-CB 3.38Å; Q559-K563 VanDerWaalsContact O-CG 3.29Å; Q559-K563 WeakPolarHBondContact O-CG 3.15Å; Q559-K563 PolarHBondContact O-N 3.47Å
560	R	94.9	Very high	94.6	Very high	118 Å²	118	98.7 Å²	98.7	45%	0.445	45%	0.448	S	S	.	.	H	α-helix	trans	-63	-48.3	173.5	-177	-178.4	-64.7	142.2	-0.6	110.8	I556 Q557 E558 M562 K563 E564	I556-R560 WeakPolarHBondContact O-CB 3.29Å; I556-R560 PolarHBondContact O-N 2.79Å; Q557-R560 PolarHBondContact O-N 2.99Å; E558-R560 VanDerWaalsContact C-N 3.3Å; E558-R560 PolarHBondContact O-N 3.19Å; R560-M562 VanDerWaalsContact C-N 3.33Å; R560-M562 PolarHBondContact O-N 2.95Å; R560-K563 PolarHBondContact O-N 2.94Å; R560-E564 WeakPolarHBondContact CD-OE1 3.2Å; R560-E564 HydrophobicContact CG-CG 4.42Å; R560-E564 VanDerWaalsContact CG-OE1 3.25Å; R560-E564 WeakPolarHBondContact CG-OE1 3.47Å; R560-E564 WeakPolarHBondContact O-CB 3.43Å; R560-E564 WeakPolarHBondContact O-CG 3.41Å; R560-E564 PolarHBondContact O-N 3.27Å
561	I	97	Very high	94.4	Very high	97 Å²	97	92.3 Å²	92.3	50%	0.497	43%	0.425	S	S	.	.	H	α-helix	trans	-59.7	-44.5	177.5	-67.3	162.9	0	0	0	110.4	Q557 E558 E564 A565	Q557-I561 HydrophobicContact CG-CD1 4.21Å; Q557-I561 VanDerWaalsContact O-CG1 3.29Å; Q557-I561 WeakPolarHBondContact O-CG1 3.46Å; Q557-I561 PolarHBondContact O-N 2.64Å; E558-I561 PolarHBondContact O-N 3.21Å; E558-I561 VanDerWaalsContact O-N 3.14Å; I561-E564 PolarHBondContact O-N 3.29Å; I561-A565 VanDerWaalsContact O-CB 3.26Å; I561-A565 WeakPolarHBondContact O-CB 3.29Å; I561-A565 PolarHBondContact O-N 3.24Å
562	M	95.1	Very high	94.5	Very high	120 Å²	120	92.3 Å²	92.3	59%	0.591	42%	0.419	S	S	*	.	H	α-helix	trans	-62.9	-44.9	176.5	-68.2	178.6	-170.5	0	0	112.6	E558 Q559 R560 A565 R566	E558-M562 WeakPolarHBondContact O-CG 3.43Å; E558-M562 PolarHBondContact O-N 2.96Å; Q559-M562 PolarHBondContact O-N 3.32Å; R560-M562 VanDerWaalsContact C-N 3.33Å; R560-M562 PolarHBondContact O-N 2.95Å; M562-A565 PolarHBondContact O-N 2.84Å; M562-R566 WeakPolarHBondContact O-CB 3.29Å; M562-R566 PolarHBondContact O-N 3.37Å
563	K	92.1	Very high	94.4	Very high	101 Å²	101	99.3 Å²	99.3	44%	0.439	45%	0.445	S	S	.	.	H	α-helix	trans	-65.1	-42.9	177.5	-75.8	177	178	-179.3	0	111.4	Q559 R560 R566 R567	Q559-K563 VanDerWaalsContact O-CB 3.31Å; Q559-K563 WeakPolarHBondContact O-CB 3.38Å; Q559-K563 VanDerWaalsContact O-CG 3.29Å; Q559-K563 WeakPolarHBondContact O-CG 3.15Å; Q559-K563 PolarHBondContact O-N 3.47Å; R560-K563 PolarHBondContact O-N 2.94Å; K563-R566 PolarHBondContact O-N 3.17Å; K563-R567 WeakPolarHBondContact O-CB 3.31Å; K563-R567 PolarHBondContact O-N 2.86Å
564	E	95.4	Very high	94.1	Very high	102 Å²	102	94.9 Å²	94.9	48%	0.477	43%	0.431	S	S	.	.	H	α-helix	trans	-64.8	-41.1	175	-74.6	177.9	-158.8	0	0	112.3	R560 I561 R567 R568	R560-E564 WeakPolarHBondContact CD-OE1 3.2Å; R560-E564 HydrophobicContact CG-CG 4.42Å; R560-E564 VanDerWaalsContact CG-OE1 3.25Å; R560-E564 WeakPolarHBondContact CG-OE1 3.47Å; R560-E564 WeakPolarHBondContact O-CB 3.43Å; R560-E564 WeakPolarHBondContact O-CG 3.41Å; R560-E564 PolarHBondContact O-N 3.27Å; I561-E564 PolarHBondContact O-N 3.29Å; E564-R567 PolarHBondContact O-N 2.85Å; E564-R568 VanDerWaalsContact O-CB 3.31Å; E564-R568 WeakPolarHBondContact O-CB 3.47Å; E564-R568 PolarHBondContact O-N 2.94Å
565	A	96.9	Very high	93.9	Very high	39 Å²	39	99.4 Å²	99.4	32%	0.322	44%	0.443	S	S	.	.	H	α-helix	trans	-64.6	-43.4	175	0	0	0	0	0	111.9	I561 M562 R568 K569	I561-A565 VanDerWaalsContact O-CB 3.26Å; I561-A565 WeakPolarHBondContact O-CB 3.29Å; I561-A565 PolarHBondContact O-N 3.24Å; M562-A565 PolarHBondContact O-N 2.84Å; A565-R568 PolarHBondContact O-N 3.33Å; A565-K569 WeakPolarHBondContact O-CG 3.41Å; A565-K569 PolarHBondContact O-N 3.08Å
566	R	93.1	Very high	93.7	Very high	176 Å²	176	103.1 Å²	103.1	66%	0.664	46%	0.46	S	S	*	.	H	α-helix	trans	-61.9	-47.9	175.2	-168.4	-177.5	-65.7	-178.1	-0.5	110.9	M562 K563 R568 K569 E570	M562-R566 WeakPolarHBondContact O-CB 3.29Å; M562-R566 PolarHBondContact O-N 3.37Å; K563-R566 PolarHBondContact O-N 3.17Å; R566-R568 VanDerWaalsContact C-N 3.35Å; R566-R568 PolarHBondContact O-N 3.13Å; R566-K569 PolarHBondContact O-N 3.49Å; R566-E570 PolarHBondContact O-N 2.67Å
567	R	92	Very high	93.6	Very high	163 Å²	163	103.1 Å²	103.1	62%	0.615	46%	0.463	S	S	*	.	H	α-helix	trans	-60.3	-40.9	175.9	-174.5	176.5	177.9	-176.9	0.8	112.3	K563 E564 E570 V571	K563-R567 WeakPolarHBondContact O-CB 3.31Å; K563-R567 PolarHBondContact O-N 2.86Å; E564-R567 PolarHBondContact O-N 2.85Å; R567-E570 PolarHBondContact O-N 3.21Å; R567-V571 HydrophobicContact CG-CG2 4.48Å; R567-V571 WeakPolarHBondContact O-CB 3.37Å; R567-V571 VanDerWaalsContact O-CG2 3.31Å; R567-V571 WeakPolarHBondContact O-CG2 3.35Å; R567-V571 PolarHBondContact O-N 3.37Å
568	R	94.8	Very high	93.5	Very high	161 Å²	161	107.8 Å²	107.8	61%	0.608	48%	0.482	S	S	*	.	H	α-helix	trans	-63.2	-43.8	175.4	-169.2	-176.2	-58.5	159.3	4.5	111.6	E564 A565 R566 V571 N572	E564-R568 VanDerWaalsContact O-CB 3.31Å; E564-R568 WeakPolarHBondContact O-CB 3.47Å; E564-R568 PolarHBondContact O-N 2.94Å; A565-R568 PolarHBondContact O-N 3.33Å; R566-R568 VanDerWaalsContact C-N 3.35Å; R566-R568 PolarHBondContact O-N 3.13Å; R568-V571 PolarHBondContact O-N 3.11Å; R568-N572 WeakPolarHBondContact O-CB 3.41Å; R568-N572 PolarHBondContact O-N 2.66Å; R568-N572 PolarHBondContact O-OD1 3.14Å
569	K	94.6	Very high	93.1	Very high	163 Å²	163	110.2 Å²	110.2	71%	0.709	51%	0.506	S	S	*	.	H	α-helix	trans	-61.1	-45.1	174.8	-73.4	179.5	178.9	-172.7	0	111.9	A565 R566 N572 R573	A565-K569 WeakPolarHBondContact O-CG 3.41Å; A565-K569 PolarHBondContact O-N 3.08Å; R566-K569 PolarHBondContact O-N 3.49Å; K569-N572 PolarHBondContact O-N 3.49Å; K569-R573 WeakPolarHBondContact O-CB 3.49Å; K569-R573 PolarHBondContact O-N 3.03Å
570	E	90.7	Very high	92.6	Very high	49 Å²	49	112.4 Å²	112.4	23%	0.229	54%	0.537	C	S	.	.	H	α-helix	trans	-60.9	-49.1	175.4	-72.9	179.2	-177.4	0	0	112.4	R566 R567 N572 R573 I574 K590	R566-E570 PolarHBondContact O-N 2.67Å; R567-E570 PolarHBondContact O-N 3.21Å; E570-N572 VanDerWaalsContact C-N 3.34Å; E570-N572 PolarHBondContact O-N 3.26Å; E570-R573 WeakPolarHBondContact O-CB 3.37Å; E570-R573 PolarHBondContact O-N 2.94Å; E570-I574 WeakPolarHBondContact O-CG1 3.29Å; E570-I574 PolarHBondContact O-N 2.84Å; E570-K590 IonicContact OE1-NZ 2.83Å; E570-K590 PolarHBondContact OE1-NZ 3.44Å; E570-K590 IonicContact OE2-NZ 2.65Å; E570-K590 PolarHBondContact OE2-NZ 2.94Å
571	V	91.5	Very high	92.3	Very high	58 Å²	58	110.2 Å²	110.2	35%	0.352	54%	0.54	S	S	.	.	H	α-helix	trans	-62.3	-41.4	179.6	168.8	0	0	0	0	111.3	R567 R568 I574 K575	R567-V571 HydrophobicContact CG-CG2 4.48Å; R567-V571 WeakPolarHBondContact O-CB 3.37Å; R567-V571 VanDerWaalsContact O-CG2 3.31Å; R567-V571 WeakPolarHBondContact O-CG2 3.35Å; R567-V571 PolarHBondContact O-N 3.37Å; R568-V571 PolarHBondContact O-N 3.11Å; V571-I574 PolarHBondContact O-N 3.25Å; V571-K575 HydrophobicContact CG1-CD 4.17Å; V571-K575 WeakPolarHBondContact O-CB 3.18Å; V571-K575 VanDerWaalsContact O-CG 3.32Å; V571-K575 WeakPolarHBondContact O-CG 3.35Å; V571-K575 PolarHBondContact O-N 3.41Å
572	N	93.7	Very high	91.8	Very high	72 Å²	72	107.4 Å²	107.4	39%	0.385	53%	0.527	S	S	.	.	H	α-helix	trans	-64.7	-43.9	175.1	-71.1	5.1	0	0	0	111	R568 K569 E570 I574 K575 H576	R568-N572 WeakPolarHBondContact O-CB 3.41Å; R568-N572 PolarHBondContact O-N 2.66Å; R568-N572 PolarHBondContact O-OD1 3.14Å; K569-N572 PolarHBondContact O-N 3.49Å; E570-N572 VanDerWaalsContact C-N 3.34Å; E570-N572 PolarHBondContact O-N 3.26Å; N572-I574 VanDerWaalsContact C-N 3.33Å; N572-I574 PolarHBondContact O-N 3.11Å; N572-K575 PolarHBondContact O-N 2.9Å; N572-H576 PolarHBondContact O-CD2 3.1Å; N572-H576 PolarHBondContact O-N 2.77Å
573	R	93.1	Very high	91.3	Very high	152 Å²	152	106.3 Å²	106.3	57%	0.574	53%	0.528	S	S	*	.	H	α-helix	trans	-57.8	-44.6	175.5	-175.4	177.1	66.8	-162	1.2	111.6	K569 E570 H576 S577	K569-R573 WeakPolarHBondContact O-CB 3.49Å; K569-R573 PolarHBondContact O-N 3.03Å; E570-R573 WeakPolarHBondContact O-CB 3.37Å; E570-R573 PolarHBondContact O-N 2.94Å; R573-H576 PolarHBondContact O-N 2.76Å; R573-S577 WeakPolarHBondContact O-CB 3.46Å; R573-S577 PolarHBondContact O-N 3.12Å; R573-S577 PolarHBondContact O-OG 3.33Å
574	I	89.9	Confident	90.9	Very high	55 Å²	55	108.5 Å²	108.5	28%	0.282	54%	0.544	S	S	.	.	H	α-helix	trans	-61.2	-49.6	176.3	-67.6	164.2	0	0	0	110.4	E570 V571 N572 H576 S577 V582 L584	E570-I574 WeakPolarHBondContact O-CG1 3.29Å; E570-I574 PolarHBondContact O-N 2.84Å; V571-I574 PolarHBondContact O-N 3.25Å; N572-I574 VanDerWaalsContact C-N 3.33Å; N572-I574 PolarHBondContact O-N 3.11Å; I574-H576 VanDerWaalsContact C-N 3.32Å; I574-H576 PolarHBondContact O-N 3.47Å; I574-S577 PolarHBondContact O-N 2.82Å; I574-S577 PolarHBondContact O-OG 3.25Å; I574-V582 HydrophobicContact CG1-CB 4.22Å; I574-V582 HydrophobicContact CG1-CG1 3.81Å; I574-L584 HydrophobicContact CD1-CD1 4.12Å
575	K	90.8	Very high	90.4	Very high	153 Å²	153	106.8 Å²	106.8	67%	0.665	54%	0.541	S	S	*	.	H	α-helix	trans	-60.5	-34.1	-179.5	-75.7	177.2	175.5	-171.9	0	114.6	V571 N572	V571-K575 HydrophobicContact CG1-CD 4.17Å; V571-K575 WeakPolarHBondContact O-CB 3.18Å; V571-K575 VanDerWaalsContact O-CG 3.32Å; V571-K575 WeakPolarHBondContact O-CG 3.35Å; V571-K575 PolarHBondContact O-N 3.41Å; N572-K575 PolarHBondContact O-N 2.9Å
576	H	93	Very high	89.9	Confident	161 Å²	161	107.9 Å²	107.9	75%	0.745	55%	0.546	S	S	*	.	H	α-helix	trans	-95.9	-1.5	-179.9	-61.8	-61.8	0	0	0	113.5	N572 R573 I574	N572-H576 PolarHBondContact O-CD2 3.1Å; N572-H576 PolarHBondContact O-N 2.77Å; R573-H576 PolarHBondContact O-N 2.76Å; I574-H576 VanDerWaalsContact C-N 3.32Å; I574-H576 PolarHBondContact O-N 3.47Å
577	S	93.2	Very high	89.4	Confident	31 Å²	31	104.5 Å²	104.5	22%	0.217	54%	0.538	C	S	.	.	S	Bend	trans	-88.9	158.5	174.4	72.5	0	0	0	0	111.5	R573 I574 S581	R573-S577 WeakPolarHBondContact O-CB 3.46Å; R573-S577 PolarHBondContact O-N 3.12Å; R573-S577 PolarHBondContact O-OG 3.33Å; I574-S577 PolarHBondContact O-N 2.82Å; I574-S577 PolarHBondContact O-OG 3.25Å; S577-S581 WeakPolarHBondContact CB-OG 3.41Å; S577-S581 PolarHBondContact OG-OG 3.45Å
578	K	92.4	Very high	89.1	Confident	174 Å²	174	100.9 Å²	100.9	76%	0.757	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-59.8	138.4	171.9	-68.3	-176.6	179.2	-179.1	0	109.3	G580 S581	K578-G580 PolarHBondContact O-N 2.78Å; K578-S581 PolarHBondContact N-OG 3.39Å; K578-S581 WeakPolarHBondContact O-CB 3.38Å; K578-S581 PolarHBondContact O-N 2.99Å; K578-S581 PolarHBondContact O-OG 2.68Å
579	P	86.6	Confident	88.7	Confident	138 Å²	138	98.6 Å²	98.6	90%	0.896	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	129	177.8	-29	35.6	0	0	0	112	S581	P579-S581 VanDerWaalsContact C-N 3.34Å; P579-S581 PolarHBondContact O-N 2.96Å
580	G	82.9	Confident	88.3	Confident	78 Å²	78	94 Å²	94	80%	0.804	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-14.4	-178.5	0	0	0	0	0	116.5	K578 V582	K578-G580 PolarHBondContact O-N 2.78Å; G580-V582 PolarHBondContact O-N 2.67Å
581	S	88.7	Confident	88.2	Confident	72 Å²	72	93.2 Å²	93.2	50%	0.503	50%	0.497	S	S	.	.	S	Bend	trans	-72.3	-26	-176.7	63.1	0	0	0	0	115	S577 K578 P579	S577-S581 WeakPolarHBondContact CB-OG 3.41Å; S577-S581 PolarHBondContact OG-OG 3.45Å; K578-S581 PolarHBondContact N-OG 3.39Å; K578-S581 WeakPolarHBondContact O-CB 3.38Å; K578-S581 PolarHBondContact O-N 2.99Å; K578-S581 PolarHBondContact O-OG 2.68Å; P579-S581 VanDerWaalsContact C-N 3.34Å; P579-S581 PolarHBondContact O-N 2.96Å
582	V	87.7	Confident	88.1	Confident	37 Å²	37	91.4 Å²	91.4	22%	0.224	49%	0.486	C	S	.	.	S	Bend	trans	-123.1	105.7	175.7	-178.3	0	0	0	0	108.8	I574 G580	I574-V582 HydrophobicContact CG1-CB 4.22Å; I574-V582 HydrophobicContact CG1-CG1 3.81Å; G580-V582 PolarHBondContact O-N 2.67Å
583	P	85	Confident	87.9	Confident	97 Å²	97	92 Å²	92	63%	0.63	49%	0.493	S	S	*	.			trans	-72	143.5	-178.4	28.4	-34.3	0	0	0	112	V585	P583-V585 PolarHBondContact O-N 3.22Å; P583-V585 VanDerWaalsContact O-N 3.09Å
584	L	82.8	Confident	87.7	Confident	147 Å²	147	86.8 Å²	86.8	77%	0.77	48%	0.481	S	S	*	.			trans	-78.9	90.2	172	-177.5	66.2	0	0	0	110	I574 S586	I574-L584 HydrophobicContact CD1-CD1 4.12Å; L584-S586 PolarHBondContact O-N 2.78Å
585	V	84.8	Confident	87.6	Confident	67 Å²	67	85.8 Å²	85.8	41%	0.406	48%	0.478	S	S	.	.			trans	-73.1	124.9	174.2	-172.7	0	0	0	0	109.8	P583 K589 K590	P583-V585 PolarHBondContact O-N 3.22Å; P583-V585 VanDerWaalsContact O-N 3.09Å; V585-K589 HydrophobicContact CG1-CB 3.77Å; V585-K590 HydrophobicContact CB-CG 4.08Å; V585-K590 HydrophobicContact CG1-CG 3.74Å; V585-K590 VanDerWaalsContact O-CE 3.29Å; V585-K590 WeakPolarHBondContact O-CE 3.41Å
586	S	86.1	Confident	87.5	Confident	62 Å²	62	81.2 Å²	81.2	43%	0.434	46%	0.463	S	S	.	.			trans	-63.8	142.5	175.6	61.2	0	0	0	0	111.1	L584 K588 K589 K590	L584-S586 PolarHBondContact O-N 2.78Å; S586-K588 PolarHBondContact O-N 2.97Å; S586-K589 PolarHBondContact O-N 3.23Å; S586-K590 PolarHBondContact O-N 2.8Å; S586-K590 VanDerWaalsContact O-N 3.17Å
587	E	82.7	Confident	86.9	Confident	104 Å²	104	82.9 Å²	82.9	49%	0.486	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-30.8	-176	-65.9	-178.7	165.6	0	0	113.3	H591	E587-H591 PolarHBondContact O-CD2 3.46Å
588	K	85.7	Confident	86.6	Confident	88 Å²	88	85.5 Å²	85.5	38%	0.383	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-43.8	173.2	-59.9	-168.2	-179.6	-173.3	0	112.8	P426 V427 V429 S586	P426-K588 WeakPolarHBondContact CD-O 3.16Å; P426-K588 HydrophobicContact CG-CB 4.15Å; P426-K588 WeakPolarHBondContact CG-O 3.39Å; V427-K588 PolarHBondContact O-NZ 3.42Å; V429-K588 HydrophobicContact CG2-CB 4.43Å; V429-K588 HydrophobicContact CG2-CG 4.21Å; S586-K588 PolarHBondContact O-N 2.97Å
589	K	87.1	Confident	86.3	Confident	112 Å²	112	80.8 Å²	80.8	49%	0.487	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-76.5	-26.2	-178.9	-78	-171.4	171.6	-169.2	0	113.3	T425 V585 S586 H591 V592	T425-K589 HydrophobicContact CG2-CD 3.99Å; T425-K589 HydrophobicContact CG2-CG 3.5Å; T425-K589 VanDerWaalsContact CG2-CG 3.5Å; V585-K589 HydrophobicContact CG1-CB 3.77Å; S586-K589 PolarHBondContact O-N 3.23Å; K589-H591 PolarHBondContact O-N 2.64Å; K589-H591 VanDerWaalsContact O-N 3.08Å; K589-V592 PolarHBondContact O-N 2.81Å
590	K	86.6	Confident	86.3	Confident	66 Å²	66	77.6 Å²	77.6	29%	0.287	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-56.4	-29	-173.5	-74.9	-170.8	176.9	-172.4	0	114.6	E570 V585 S586	E570-K590 IonicContact OE1-NZ 2.83Å; E570-K590 PolarHBondContact OE1-NZ 3.44Å; E570-K590 IonicContact OE2-NZ 2.65Å; E570-K590 PolarHBondContact OE2-NZ 2.94Å; V585-K590 HydrophobicContact CB-CG 4.08Å; V585-K590 HydrophobicContact CG1-CG 3.74Å; V585-K590 VanDerWaalsContact O-CE 3.29Å; V585-K590 WeakPolarHBondContact O-CE 3.41Å; S586-K590 PolarHBondContact O-N 2.8Å; S586-K590 VanDerWaalsContact O-N 3.17Å
591	H	87.1	Confident	86.5	Confident	33 Å²	33	77.6 Å²	77.6	15%	0.153	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-97.3	-3.8	-172.3	-62.2	-60.4	0	0	0	114.9	L389 D390 Y416 E587 K589	L389-H591 WeakPolarHBondContact CA-O 3.41Å; L389-H591 WeakPolarHBondContact CD2-O 3.47Å; D390-H591 PolarHBondContact N-O 2.76Å; D390-H591 WeakPolarHBondContact OD2-CA 3.26Å; D390-H591 IonicContact OD2-CE1 3.13Å; D390-H591 IonicContact OD2-CG 3.79Å; D390-H591 IonicContact OD2-ND1 3.05Å; D390-H591 PolarHBondContact OD2-ND1 2.9Å; Y416-H591 HydrophobicContact CE1-CB 3.67Å; Y416-H591 AromaticContact CE1-CD2 3.72Å; Y416-H591 AromaticContact CE1-CG 3.83Å; Y416-H591 AromaticContact CZ-CD2 3.99Å; Y416-H591 AromaticContact CZ-CG 3.82Å; Y416-H591 PolarHBondContact OH-CD2 3.31Å; E587-H591 PolarHBondContact O-CD2 3.46Å; K589-H591 PolarHBondContact O-N 2.64Å; K589-H591 VanDerWaalsContact O-N 3.08Å
592	V	90.5	Very high	86.3	Confident	21 Å²	21	77.9 Å²	77.9	13%	0.127	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	113.2	174.3	-179	0	0	0	0	107.5	V387 L389 F418 K589 V595	V387-V592 HydrophobicContact CG1-CG1 3.99Å; L389-V592 HydrophobicContact CD2-CB 4.43Å; L389-V592 HydrophobicContact CD2-CG2 3.9Å; F418-V592 HydrophobicContact CE1-CG2 3.99Å; F418-V592 HydrophobicContact CZ-CG2 4.13Å; K589-V592 PolarHBondContact O-N 2.81Å; V592-V595 HydrophobicContact CG1-CG2 4.16Å
593	V	88.6	Confident	86.2	Confident	85 Å²	85	80.7 Å²	80.7	52%	0.515	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	-48.5	-177.7	179.9	0	0	0	0	110.3	I388	I388-V593 HydrophobicContact CB-CB 4.36Å; I388-V593 HydrophobicContact CG2-CB 4.29Å; I388-V593 PolarHBondContact O-N 3.1Å
594	A	89.6	Confident	86.3	Confident	41 Å²	41	79.5 Å²	79.5	34%	0.339	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	154.3	-179.9	0	0	0	0	0	111.5	I388	I388-A594 HydrophobicContact CD1-CB 4.33Å; I388-A594 HydrophobicContact CG1-CB 4.45Å; I388-A594 PolarHBondContact N-O 3.46Å; I388-A594 PolarHBondContact O-N 3.22Å
595	V	88.5	Confident	86.6	Confident	35 Å²	35	74.3 Å²	74.3	21%	0.212	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121	166.1	179.2	0	0	0	0	107.8	K386 V387 L423 D424 V592	K386-V595 CarbonylContact O-C 3.58Å; K386-V595 WeakPolarHBondContact O-CA 3.35Å; V387-V595 HydrophobicContact CG1-CG2 4.28Å; V387-V595 HydrophobicContact CG2-CG2 4.43Å; L423-V595 HydrophobicContact CB-CG1 4.15Å; L423-V595 HydrophobicContact CB-CG2 4.04Å; D424-V595 WeakPolarHBondContact OD1-CG2 3.4Å; V592-V595 HydrophobicContact CG1-CG2 4.16Å
596	V	87.4	Confident	86.8	Confident	56 Å²	56	74.9 Å²	74.9	34%	0.339	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	126.4	170.8	-175	0	0	0	0	107	W346 K386	W346-V596 HydrophobicContact CZ2-CG1 4Å; K386-V596 HydrophobicContact CB-CB 4.21Å; K386-V596 HydrophobicContact CG-CB 4.49Å; K386-V596 PolarHBondContact N-O 3.45Å; K386-V596 PolarHBondContact O-N 3.34Å
597	K	81.1	Confident	86.8	Confident	196 Å²	196	76.1 Å²	76.1	85%	0.852	38%	0.38	S	S	*	.			trans	-97.7	0	179.7	-67.3	-178	-178	175.4	0	111.2

Retrieved 597 of 597 residues in 352.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).