A0A087XYA5_POEFO Loading...

DDB1 and CUL4 associated factor 8

AlphaFold DB , UniProt , Accession A0A087XYA5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 617 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	40.2	Very low	39	Very low	249 Å²	249	142.2 Å²	142.2	100%	1.227	80%	0.797	S	S	*	*				0	139.6	0	-79.3	158.2	156.5	0	0	107.4
2	A	34.7	Very low	38.5	Very low	79 Å²	79	143.7 Å²	143.7	65%	0.653	80%	0.802	S	S	*	*			trans	-70.8	170.2	167.2	0	0	0	0	0	110.4
3	E	38.1	Very low	37.8	Very low	176 Å²	176	138.8 Å²	138.8	82%	0.822	80%	0.804	S	S	*	*			cis	-153.3	157.3	-3.8	-110.2	149	176.5	0	0	105.6
4	A	43	Very low	37.2	Very low	89 Å²	89	134.9 Å²	134.9	74%	0.736	81%	0.808	S	S	*	*				50.1	140.5	77	0	0	0	0	0	114.7
5	D	43.6	Very low	37.1	Very low	152 Å²	152	133.2 Å²	133.2	81%	0.813	81%	0.805	S	S	*	*			cis	-168.3	-178.8	-23.7	-155.2	-20	0	0	0	108.3
6	E	36.2	Very low	37	Very low	130 Å²	130	133.4 Å²	133.4	61%	0.607	80%	0.801	S	S	*	*			trans	75.4	139.6	149.5	-75.5	-156.6	123	0	0	125.1
7	K	32.6	Very low	36.8	Very low	167 Å²	167	133.9 Å²	133.9	73%	0.726	79%	0.793	S	S	*	*			trans	85.3	124.9	135.6	-81.4	165.1	179.9	144.1	0	123.8
8	S	34.3	Very low	36.5	Very low	105 Å²	105	136.2 Å²	136.2	73%	0.734	79%	0.791	S	S	*	*			trans	-86.4	166.9	153.6	53.8	0	0	0	0	112.5
9	P	52.2	Low	36.3	Very low	127 Å²	127	138.7 Å²	138.7	83%	0.825	80%	0.795	S	S	*	*				-144.1	-172.7	121.3	38.7	-24.1	0	0	0	114.9
10	V	39.6	Very low	37.2	Very low	128 Å²	128	138.2 Å²	138.2	78%	0.776	80%	0.796	S	S	*	*			trans	-129.9	151.1	-175.8	173.4	0	0	0	0	109.7
11	L	34.5	Very low	37	Very low	162 Å²	162	134.7 Å²	134.7	85%	0.848	79%	0.79	S	S	*	*			trans	176.6	177.7	140.8	-96.1	164.5	0	0	0	115.5
12	N	33.6	Very low	36.9	Very low	160 Å²	160	131.9 Å²	131.9	86%	0.856	77%	0.774	S	S	*	*			trans	-109	167.2	-158.5	-67	-25	0	0	0	117.3
13	G	28.6	Very low	37	Very low	81 Å²	81	134.7 Å²	134.7	84%	0.835	77%	0.774	S	S	*	*			trans	135.8	147.1	162.2	0	0	0	0	0	113.3
14	G	29.6	Very low	36.9	Very low	83 Å²	83	132.6 Å²	132.6	86%	0.856	76%	0.764	S	S	*	*			cis	116.7	128.8	-1.1	0	0	0	0	0	113
15	S	35.8	Very low	36.5	Very low	110 Å²	110	134.7 Å²	134.7	77%	0.769	76%	0.759	S	S	*	*			cis	-129.9	-134	-2.7	38.5	0	0	0	0	110.6
16	D	36.1	Very low	36.1	Very low	136 Å²	136	134.2 Å²	134.2	73%	0.727	75%	0.751	S	S	*	*			cis	-167.6	-175.7	0.9	-143.1	-68.5	0	0	0	111.7
17	E	33.6	Very low	36.1	Very low	143 Å²	143	135.1 Å²	135.1	67%	0.668	75%	0.753	S	S	*	*			trans	66.8	152.3	163	-65.8	-159.2	150.6	0	0	121.1
18	K	31.2	Very low	36.3	Very low	175 Å²	175	133.3 Å²	133.3	76%	0.761	75%	0.751	S	S	*	*			cis	-163.4	167.4	-23	-115.1	173.6	-170.9	161.5	0	112.6
19	Q	33.2	Very low	36.2	Very low	184 Å²	184	131.7 Å²	131.7	86%	0.86	75%	0.751	S	S	*	*			trans	-87.8	175.6	167.9	-105.6	-177.5	-0.5	0	0	112.2
20	P	53.1	Low	35.3	Very low	128 Å²	128	133.6 Å²	133.6	83%	0.831	75%	0.754	S	S	*	*			cis	-131.4	-163.8	28.6	42.3	-23	0	0	0	113.9
21	G	33.9	Very low	35.1	Very low	65 Å²	65	131.1 Å²	131.1	67%	0.67	75%	0.747	S	S	*	*			cis	151.2	171.1	-11	0	0	0	0	0	113.8
22	E	38.5	Very low	35	Very low	190 Å²	190	129.6 Å²	129.6	89%	0.888	75%	0.75	S	S	*	*			trans	67.5	147.8	166.2	-68.9	179.7	174.8	0	0	119.1
23	E	35.6	Very low	34.8	Very low	138 Å²	138	125.1 Å²	125.1	65%	0.645	74%	0.742	S	S	*	*			cis	-158.1	158.3	3	-128.7	-159.2	151.6	0	0	114.8
24	Q	35.7	Very low	35	Very low	132 Å²	132	126.7 Å²	126.7	62%	0.617	74%	0.74	S	S	*	*			trans	62.9	153	151.2	-68.8	-175	26.6	0	0	121.6
25	Q	35.2	Very low	35.3	Very low	133 Å²	133	130.5 Å²	130.5	62%	0.621	73%	0.733	S	S	*	*			cis	-158.2	147.6	2.8	-133.1	-175.4	61.4	0	0	113.2
26	H	35	Very low	35.1	Very low	141 Å²	141	130.8 Å²	130.8	65%	0.653	73%	0.726	S	S	*	*			trans	60.6	149.6	145.3	-78.1	-18.2	0	0	0	121.8
27	K	37.2	Very low	34.9	Very low	149 Å²	149	129 Å²	129	65%	0.648	72%	0.724	S	S	*	*			cis	-163	169.1	-4.8	-98.3	-171.4	172.9	-74.7	0	106.4
28	D	36.7	Very low	34.8	Very low	129 Å²	129	130.2 Å²	130.2	69%	0.69	73%	0.73	S	S	*	*			cis	-170.5	166.8	-21.2	-95.2	-1.5	0	0	0	107.2
29	G	31.3	Very low	34.8	Very low	71 Å²	71	126.9 Å²	126.9	73%	0.732	72%	0.724	S	S	*	*			trans	134.1	89.9	156.1	0	0	0	0	0	119.8
30	D	32.6	Very low	34.7	Very low	167 Å²	167	126.4 Å²	126.4	89%	0.893	72%	0.722	S	S	*	*			trans	33.5	151.2	136.1	-67.9	-9.2	0	0	0	124.3
31	A	35.7	Very low	33.7	Very low	76 Å²	76	124.9 Å²	124.9	63%	0.628	72%	0.715	S	S	*	*			cis	-172.4	154.5	-18.5	0	0	0	0	0	111.1
32	S	33.4	Very low	33.5	Very low	130 Å²	130	126.7 Å²	126.7	91%	0.909	72%	0.717	S	S	*	*			trans	64.5	143.6	167.3	74.9	0	0	0	0	118.2
33	G	29.6	Very low	33.2	Very low	67 Å²	67	122 Å²	122	69%	0.691	71%	0.705	S	S	*	*			cis	-171.8	150.1	-8.2	0	0	0	0	0	114.2
34	S	32.5	Very low	33	Very low	113 Å²	113	123.5 Å²	123.5	79%	0.79	71%	0.712	S	S	*	*			trans	21	141.5	140.2	-56.8	0	0	0	0	121.5
35	K	34.3	Very low	32.8	Very low	163 Å²	163	124.9 Å²	124.9	71%	0.709	72%	0.724	S	S	*	*			cis	-169.3	162.7	-1.3	-117.5	-176.5	170.7	-112.6	0	111.2
36	D	32.7	Very low	32.6	Very low	117 Å²	117	122.7 Å²	122.7	63%	0.626	73%	0.729	S	S	*	*			trans	27.7	144.9	134.4	-50.3	-9.5	0	0	0	121.1
37	S	31.8	Very low	33.6	Very low	97 Å²	97	121.3 Å²	121.3	68%	0.678	73%	0.732	S	S	*	*			cis	-173.3	170	-10.1	54.9	0	0	0	0	111.7
38	Q	32	Very low	33.3	Very low	170 Å²	170	123.7 Å²	123.7	79%	0.794	74%	0.742	S	S	*	*			trans	3.8	151.9	135.5	-57.1	172.4	-20.9	0	0	118.7
39	T	30.8	Very low	33.3	Very low	104 Å²	104	126.2 Å²	126.2	64%	0.638	75%	0.75	S	S	*	*			cis	-166.3	170.9	36.1	-21.2	0	0	0	0	113
40	Q	31.5	Very low	33.1	Very low	174 Å²	174	129.3 Å²	129.3	81%	0.813	76%	0.755	S	S	*	*			trans	11.7	156.5	137.7	-76.7	164.2	-10.3	0	0	121.8
41	S	31.3	Very low	33.1	Very low	97 Å²	97	127.7 Å²	127.7	68%	0.678	75%	0.751	S	S	*	*			cis	-167.2	179.8	2.1	47.9	0	0	0	0	111.3
42	S	31	Very low	32.8	Very low	102 Å²	102	133.4 Å²	133.4	71%	0.713	77%	0.765	S	S	*	*			trans	41.3	142.3	141	58.9	0	0	0	0	121.7
43	S	30.5	Very low	32.8	Very low	91 Å²	91	131 Å²	131	64%	0.636	75%	0.753	S	S	*	*			cis	-168.7	176.6	7	41.3	0	0	0	0	111.6
44	E	32.5	Very low	32.9	Very low	171 Å²	171	134.2 Å²	134.2	80%	0.799	76%	0.764	S	S	*	*			trans	78.7	154.5	149.7	-78.2	151.2	157.5	0	0	122.9
45	D	30.5	Very low	32.8	Very low	160 Å²	160	132.5 Å²	132.5	86%	0.856	76%	0.764	S	S	*	*			trans	62.5	132.4	163.8	-72.2	-0.7	0	0	0	125.5
46	A	32	Very low	32.8	Very low	88 Å²	88	131.1 Å²	131.1	73%	0.727	77%	0.765	S	S	*	*			trans	-147.3	178.7	156.6	0	0	0	0	0	106.1
47	P	56	Low	32.8	Very low	111 Å²	111	134.6 Å²	134.6	72%	0.721	77%	0.774	S	S	*	*			cis	-128.5	-178.7	-9.8	39.9	-24.2	0	0	0	112.8
48	K	30.2	Very low	32.7	Very low	200 Å²	200	133.6 Å²	133.6	87%	0.87	78%	0.779	S	S	*	*				171.8	157.5	124.8	-98.2	173.7	-178.7	-180	0	114.9
49	E	36.2	Very low	32.8	Very low	181 Å²	181	132.7 Å²	132.7	85%	0.846	78%	0.778	S	S	*	*			trans	-103.2	153.1	169.2	-54.2	168.3	117.5	0	0	111.5
50	T	28.8	Very low	33.8	Very low	136 Å²	136	133.1 Å²	133.1	83%	0.834	78%	0.783	S	S	*	*			trans	-152.4	117	151.3	41.9	0	0	0	0	106.4
51	V	32.7	Very low	34	Very low	133 Å²	133	133 Å²	133	81%	0.806	78%	0.782	S	S	*	*				79.2	111.7	62.8	172.5	0	0	0	0	113.4
52	E	28.3	Very low	34	Very low	197 Å²	197	132.1 Å²	132.1	92%	0.921	78%	0.781	S	S	*	*			trans	-172.7	166.8	148.6	-113.3	178.5	-148.4	0	0	110.6
53	A	34	Very low	34	Very low	80 Å²	80	137 Å²	137	66%	0.661	79%	0.792	S	S	*	*				-155.7	167	-82	0	0	0	0	0	112.5
54	S	32	Very low	33.8	Very low	134 Å²	134	136 Å²	136	94%	0.937	80%	0.796	S	S	*	*			trans	66.3	153.4	177.6	74.9	0	0	0	0	116.7
55	G	29.6	Very low	33.7	Very low	76 Å²	76	136.5 Å²	136.5	78%	0.784	80%	0.799	S	S	*	*			cis	173.3	174.6	-2.2	0	0	0	0	0	108.6
56	D	33.8	Very low	33.5	Very low	135 Å²	135	135 Å²	135	72%	0.722	80%	0.795	S	S	*	*			cis	-167.1	158.9	-5.5	176	31	0	0	0	109.1
57	K	33.8	Very low	33.4	Very low	189 Å²	189	135.5 Å²	135.5	82%	0.822	80%	0.8	S	S	*	*			trans	69.1	149.8	172.5	-42.6	-174	-175.6	176.2	0	118.5
58	G	28.6	Very low	32.1	Very low	76 Å²	76	134.4 Å²	134.4	78%	0.784	80%	0.8	S	S	*	*			cis	178	154.3	-6	0	0	0	0	0	112.8
59	I	35.9	Very low	32.2	Very low	151 Å²	151	130.1 Å²	130.1	77%	0.774	80%	0.795	S	S	*	*			trans	-100.4	166.4	-173.8	-19.5	178.6	0	0	0	112.1
60	P	50.3	Low	32	Very low	113 Å²	113	129.2 Å²	129.2	73%	0.734	79%	0.788	S	S	*	*				-139.2	167.4	87.5	43	-28.6	0	0	0	112.7
61	E	35.2	Very low	32.1	Very low	172 Å²	172	130.2 Å²	130.2	80%	0.804	78%	0.784	S	S	*	*			cis	62.6	139.4	46	-71.2	-174.4	-172.8	0	0	114.4
62	A	33.2	Very low	31.9	Very low	79 Å²	79	126.5 Å²	126.5	65%	0.653	77%	0.773	S	S	*	*			cis	-164.1	174.4	-18.4	0	0	0	0	0	109.2
63	E	30.3	Very low	32.2	Very low	204 Å²	204	125.6 Å²	125.6	95%	0.953	77%	0.769	S	S	*	*			trans	64.9	163.9	171.2	-55.2	177.6	-176.3	0	0	115.8
64	G	27	Very low	32.1	Very low	69 Å²	69	130.2 Å²	130.2	71%	0.711	78%	0.776	S	S	*	*			cis	-179	154.1	-8.3	0	0	0	0	0	112.8
65	E	28.7	Very low	32.2	Very low	182 Å²	182	132.8 Å²	132.8	85%	0.85	77%	0.773	S	S	*	*			trans	56.1	126.1	157.5	-64.5	-161.1	142	0	0	125.2
66	T	27	Very low	32.3	Very low	128 Å²	128	138.2 Å²	138.2	79%	0.785	78%	0.779	S	S	*	*			trans	81.6	120.9	135.1	57.5	0	0	0	0	125.5
67	A	29.5	Very low	32.3	Very low	100 Å²	100	140.9 Å²	140.9	83%	0.826	79%	0.787	S	S	*	*				88.7	139.2	123.6	0	0	0	0	0	124.9
68	A	30.1	Very low	32.4	Very low	88 Å²	88	139.7 Å²	139.7	73%	0.727	78%	0.784	S	S	*	*			trans	99.6	91.9	139.4	0	0	0	0	0	123.1
69	S	30.3	Very low	32.8	Very low	110 Å²	110	143.3 Å²	143.3	77%	0.769	78%	0.781	S	S	*	*				88.8	153.8	117.3	75.4	0	0	0	0	123.4
70	K	32.8	Very low	32.5	Very low	161 Å²	161	142.7 Å²	142.7	70%	0.7	78%	0.779	S	S	*	*			trans	84.7	135.4	167.3	-63.9	-166.5	167.1	-72.7	0	118.4
71	E	31.4	Very low	31.6	Very low	157 Å²	157	142.1 Å²	142.1	73%	0.734	77%	0.773	S	S	*	*			cis	-167	166.1	-16.7	-130.8	149.3	-144.7	0	0	111.4
72	G	28.9	Very low	31.4	Very low	56 Å²	56	141.5 Å²	141.5	58%	0.577	78%	0.776	S	S	*	*			trans	109.3	110.4	-178.9	0	0	0	0	0	112.2
73	E	33.9	Very low	31.6	Very low	178 Å²	178	142.7 Å²	142.7	83%	0.832	78%	0.779	S	S	*	*				68.6	127.4	62.4	-61.3	168.1	179.4	0	0	111.4
74	E	32.3	Very low	31.7	Very low	177 Å²	177	140.7 Å²	140.7	83%	0.827	77%	0.772	S	S	*	*			cis	-155.5	167.3	-1	-104.9	170.7	154	0	0	106
75	E	33	Very low	32.1	Very low	187 Å²	187	144.9 Å²	144.9	87%	0.874	78%	0.778	S	S	*	*			cis	-139.9	178.9	16.8	-56.1	167.8	102.2	0	0	110.2
76	E	32.4	Very low	32.1	Very low	191 Å²	191	139.7 Å²	139.7	89%	0.893	77%	0.773	S	S	*	*			trans	-136.7	150.9	170	-76.2	-175.3	146.7	0	0	112.4
77	E	33.4	Very low	32.5	Very low	190 Å²	190	139.8 Å²	139.8	89%	0.888	78%	0.779	S	S	*	*			trans	177.1	101.1	147.2	-102	176.1	-154.4	0	0	107.3
78	E	35.7	Very low	32.4	Very low	164 Å²	164	138.6 Å²	138.6	77%	0.766	78%	0.776	S	S	*	*				85.6	108.9	85.4	-69.9	-101	128.9	0	0	114
79	E	36.7	Very low	32.3	Very low	153 Å²	153	141.9 Å²	141.9	72%	0.715	78%	0.781	S	S	*	*			trans	38.2	158.9	130.8	-48.8	-150.7	150	0	0	120.9
80	D	29.8	Very low	32.2	Very low	137 Å²	137	145.9 Å²	145.9	73%	0.733	79%	0.785	S	S	*	*			cis	-103.8	154.2	19.7	-74.8	-58.4	0	0	0	114
81	T	32.8	Very low	31.8	Very low	101 Å²	101	143.8 Å²	143.8	62%	0.62	79%	0.791	S	S	*	*				56.5	136.4	61.6	89.3	0	0	0	0	113.3
82	D	30.7	Very low	31.6	Very low	160 Å²	160	145.6 Å²	145.6	86%	0.856	80%	0.797	S	S	*	*			cis	-145	178.7	45.5	-151.8	-12.2	0	0	0	113.9
83	S	36.3	Very low	31.6	Very low	103 Å²	103	149.5 Å²	149.5	72%	0.72	81%	0.809	S	S	*	*			trans	-122.4	-164.3	-164.9	-166.6	0	0	0	0	114.6
84	M	33.7	Very low	31.4	Very low	163 Å²	163	149.7 Å²	149.7	80%	0.803	81%	0.81	S	S	*	*			trans	80.5	112.7	179.9	-52.5	-161.4	179.4	0	0	114.1
85	D	33.8	Very low	31.3	Very low	156 Å²	156	149.6 Å²	149.6	83%	0.834	82%	0.815	S	S	*	*			cis	79.9	166.7	43.8	110.7	-30.6	0	0	0	114.9
86	G	30.2	Very low	31	Very low	74 Å²	74	143.8 Å²	143.8	76%	0.763	81%	0.806	S	S	*	*			trans	116.3	115.9	-176.4	0	0	0	0	0	114.7
87	S	33.6	Very low	31	Very low	129 Å²	129	144.3 Å²	144.3	90%	0.902	81%	0.808	S	S	*	*			trans	-103.1	157.5	176.1	55.5	0	0	0	0	112.1
88	G	28.3	Very low	30.7	Very low	75 Å²	75	146.7 Å²	146.7	77%	0.773	81%	0.809	S	S	*	*			trans	-162.2	145.6	178	0	0	0	0	0	113.7
89	L	28.6	Very low	30.4	Very low	158 Å²	158	148 Å²	148	83%	0.827	82%	0.816	S	S	*	*			trans	-111.7	158.1	-177.9	-87.6	81.2	0	0	0	112.9
90	F	27.1	Very low	30.1	Very low	193 Å²	193	145.7 Å²	145.7	85%	0.846	82%	0.816	S	S	*	*			trans	2.9	131.3	153.3	-69.5	-97	0	0	0	119.7
91	S	26.1	Very low	30.1	Very low	118 Å²	118	148.5 Å²	148.5	83%	0.825	83%	0.825	S	S	*	*				-156.4	149.7	126.7	54.4	0	0	0	0	112.3
92	F	26.3	Very low	29.9	Very low	195 Å²	195	149.8 Å²	149.8	86%	0.855	84%	0.838	S	S	*	*			trans	-82	147.2	167.4	-94.3	-110.3	0	0	0	110.1
93	T	28.4	Very low	29.7	Very low	138 Å²	138	145.8 Å²	145.8	85%	0.847	84%	0.835	S	S	*	*			trans	-140	144.1	143.8	37.7	0	0	0	0	109.2
94	E	30.5	Very low	29.3	Very low	181 Å²	181	152.6 Å²	152.6	85%	0.846	85%	0.845	S	S	*	*			trans	-81.4	145	164.7	-65.8	171	99.7	0	0	109
95	D	29.8	Very low	29.1	Very low	175 Å²	175	154.6 Å²	154.6	94%	0.936	84%	0.843	S	S	*	*			trans	-173.8	149.6	139.9	-96.8	-30.8	0	0	0	109.2
96	G	27	Very low	28.9	Very low	66 Å²	66	154.5 Å²	154.5	68%	0.68	84%	0.838	S	S	*	*			cis	168.7	-21.2	-3.5	0	0	0	0	0	114.7
97	E	31.3	Very low	28.7	Very low	201 Å²	201	162 Å²	162	94%	0.939	84%	0.843	S	S	*	*			trans	-105.7	145.9	-165.6	-61.5	-161.9	140	0	0	115.8
98	R	28.8	Very low	28.5	Very low	240 Å²	240	160.3 Å²	160.3	91%	0.906	84%	0.837	S	S	*	*			trans	-125.1	140.7	171.9	-64.2	170.6	171.3	170.1	-3.3	108.3
99	E	29.1	Very low	28.4	Very low	193 Å²	193	165.9 Å²	165.9	90%	0.902	84%	0.84	S	S	*	*			trans	169.2	155.3	140.8	-99	178.9	-152.1	0	0	109.1
100	S	29.5	Very low	28.4	Very low	103 Å²	103	167.2 Å²	167.2	72%	0.72	84%	0.842	S	S	*	*			cis	-150	163.8	-6.7	44.9	0	0	0	0	110
101	E	29.7	Very low	28.4	Very low	196 Å²	196	168 Å²	168	92%	0.916	85%	0.845	S	S	*	*			trans	-78	146.5	175.2	-65.9	-177.2	97.9	0	0	112.9
102	S	28.5	Very low	28.5	Very low	128 Å²	128	168.3 Å²	168.3	90%	0.895	84%	0.837	S	S	*	*			trans	-146.4	120.5	140.5	63.3	0	0	0	0	110.9
103	G	27.1	Very low	28.6	Very low	77 Å²	77	169.8 Å²	169.8	79%	0.794	84%	0.837	S	S	*	*			trans	-112.8	156	-174.9	0	0	0	0	0	113.5
104	R	27.9	Very low	28.5	Very low	246 Å²	246	166.9 Å²	166.9	93%	0.928	83%	0.834	S	S	*	*			trans	-146.7	91.7	168.4	-162	169.4	-174	161.3	2.6	114.8
105	R	29.3	Very low	28.6	Very low	205 Å²	205	168.5 Å²	168.5	77%	0.774	84%	0.839	S	S	*	*			trans	26.2	122.1	146.5	-81.7	-168.1	147.3	134	0.8	121.1
106	E	29.3	Very low	28.4	Very low	154 Å²	154	172.2 Å²	172.2	72%	0.72	84%	0.84	S	S	*	*				52	120.1	120.7	-58	166.2	-143.7	0	0	120.1
107	R	27.2	Very low	28.5	Very low	232 Å²	232	174 Å²	174	88%	0.875	85%	0.848	S	S	*	*				-154.9	117.3	117.8	-142.3	176.4	-169.2	174.8	6.6	113.5
108	A	28.1	Very low	28.5	Very low	93 Å²	93	169.4 Å²	169.4	77%	0.769	85%	0.845	S	S	*	*			trans	-82.7	152.7	167	0	0	0	0	0	111.4
109	K	27.8	Very low	28.4	Very low	192 Å²	192	170 Å²	170	84%	0.835	85%	0.847	S	S	*	*			trans	-159.6	96.7	158.6	-119.5	178.2	-174.2	-177.3	0	112.5
110	E	26.7	Very low	28.5	Very low	185 Å²	185	170.8 Å²	170.8	86%	0.864	85%	0.847	S	S	*	*			trans	-68.3	147.2	162	174.3	-174.3	-137.9	0	0	110.7
111	K	28.8	Very low	28.4	Very low	209 Å²	209	177.4 Å²	177.4	91%	0.909	86%	0.856	S	S	*	*			trans	-160.7	129.6	150.3	-122.1	-179.7	-176.3	-170.7	0	114.9
112	D	26.8	Very low	28.3	Very low	125 Å²	125	175.7 Å²	175.7	67%	0.668	85%	0.852	S	S	*	*			trans	-73.8	165.9	174.8	166.1	43.7	0	0	0	113.8
113	R	29	Very low	28.4	Very low	226 Å²	226	181 Å²	181	85%	0.853	85%	0.852	S	S	*	*			trans	104	124.3	155.5	-55.7	-168.8	175.3	-169.9	-5.3	120.5
114	G	26.7	Very low	29.3	Very low	77 Å²	77	183.2 Å²	183.2	79%	0.794	85%	0.853	S	S	*	*				150.5	77.7	128.7	0	0	0	0	0	118.9
115	K	32.3	Very low	29.2	Very low	216 Å²	216	175.4 Å²	175.4	94%	0.939	85%	0.849	S	S	*	*			trans	-63.3	135.4	160.6	-77.1	-172.7	176.1	-176.1	0	110.6
116	R	26.4	Very low	29.1	Very low	252 Å²	252	169.8 Å²	169.8	95%	0.951	86%	0.855	S	S	*	*			trans	-157.2	126.9	155.3	-119.8	174.9	-173.9	-175.1	1.2	112.9
117	A	28.5	Very low	29	Very low	104 Å²	104	165.8 Å²	165.8	86%	0.86	86%	0.855	S	S	*	*			trans	-89.6	160.7	171.1	0	0	0	0	0	111.5
118	A	30.4	Very low	29.1	Very low	105 Å²	105	160.7 Å²	160.7	87%	0.868	85%	0.85	S	S	*	*			trans	-122.1	125.7	177.6	0	0	0	0	0	111.8
119	R	27.5	Very low	29.1	Very low	253 Å²	253	161.8 Å²	161.8	96%	0.955	84%	0.843	S	S	*	*			trans	-110.4	139.7	169.6	-88.9	178.6	161.5	178.1	-6.1	109.6
120	K	30.6	Very low	29.2	Very low	209 Å²	209	160.8 Å²	160.8	91%	0.909	84%	0.841	S	S	*	*			trans	-148.3	87.8	170.2	-154.9	179	-176.3	-172.5	0	109
121	R	27.3	Very low	29.4	Very low	241 Å²	241	156.8 Å²	156.8	91%	0.909	83%	0.833	S	S	*	*				70.6	103.7	88.3	-87.9	-166.9	166.2	-170.6	-2.8	115
122	I	27.8	Very low	29.4	Very low	161 Å²	161	152.2 Å²	152.2	83%	0.826	83%	0.828	S	S	*	*			trans	-78.3	153.5	167.8	-58.5	152.7	0	0	0	110.9
123	R	31	Very low	29.7	Very low	239 Å²	239	151.1 Å²	151.1	90%	0.902	83%	0.83	S	S	*	*			trans	-175.7	162.5	140.4	-101.6	-179.1	-177.2	-144.2	-4.7	112.7
124	P	44.9	Very low	29.9	Very low	123 Å²	123	144.7 Å²	144.7	80%	0.799	82%	0.819	S	S	*	*				-142.4	-174.4	-124.3	43.4	-22.9	0	0	0	117.6
125	G	26.5	Very low	30.4	Very low	82 Å²	82	148.1 Å²	148.1	85%	0.845	82%	0.819	S	S	*	*			trans	131.9	146.7	164.8	0	0	0	0	0	112.6
126	G	26.9	Very low	30.7	Very low	87 Å²	87	145.4 Å²	145.4	90%	0.897	82%	0.815	S	S	*	*			cis	147.2	119.4	-9.6	0	0	0	0	0	113
127	G	27.5	Very low	31.4	Very low	71 Å²	71	141.2 Å²	141.2	73%	0.732	81%	0.812	S	S	*	*			trans	155.6	90.3	172.2	0	0	0	0	0	118.7
128	T	28.6	Very low	31.8	Very low	125 Å²	125	143.8 Å²	143.8	77%	0.767	81%	0.811	S	S	*	*			trans	37.1	120.8	137.6	54.5	0	0	0	0	123.8
129	N	29.6	Very low	32.2	Very low	116 Å²	116	146.3 Å²	146.3	62%	0.62	81%	0.81	S	S	*	*				97	116	119.8	-71.8	21.7	0	0	0	123.9
130	H	29.6	Very low	32.7	Very low	171 Å²	171	141.7 Å²	141.7	79%	0.792	80%	0.804	S	S	*	*			trans	70.3	144.6	149.2	-39.2	-37.2	0	0	0	116.9
131	S	29.8	Very low	33	Very low	101 Å²	101	139.5 Å²	139.5	71%	0.706	80%	0.797	S	S	*	*			cis	-166.2	158.6	8.8	46.7	0	0	0	0	111.4
132	S	30.3	Very low	33.3	Very low	113 Å²	113	133.5 Å²	133.5	79%	0.79	79%	0.789	S	S	*	*			trans	59.9	150.9	163.6	46.5	0	0	0	0	118
133	S	32.4	Very low	33.6	Very low	102 Å²	102	135.5 Å²	135.5	71%	0.713	79%	0.792	S	S	*	*			cis	-167.5	179.4	-10.9	48.2	0	0	0	0	109
134	S	33.4	Very low	33.8	Very low	91 Å²	91	131.9 Å²	131.9	64%	0.636	79%	0.786	S	S	*	*			trans	60.1	103.7	169.4	57.7	0	0	0	0	117.7
135	D	37.1	Very low	33.6	Very low	148 Å²	148	135.1 Å²	135.1	79%	0.791	79%	0.79	S	S	*	*				43.6	105.1	110.8	-34.4	-26.4	0	0	0	117.5
136	D	38.8	Very low	34.3	Very low	160 Å²	160	139.4 Å²	139.4	86%	0.856	79%	0.788	S	S	*	*				-164.7	140.9	112.6	-90.6	-32.7	0	0	0	108.1
137	D	40	Very low	35.1	Very low	163 Å²	163	142.2 Å²	142.2	87%	0.872	78%	0.783	S	S	*	*			trans	-93.3	98.5	-173.2	-67.8	-50.3	0	0	0	111.8
138	D	38	Very low	35.8	Very low	158 Å²	158	146 Å²	146	85%	0.845	79%	0.786	S	S	*	*			trans	-104.8	91	166.1	-85.9	-42.1	0	0	0	109.9	D140	D138-D140 VanDerWaalsContact C-N 3.26Å; D138-D140 PolarHBondContact O-N 3.33Å
139	D	38	Very low	36.5	Very low	158 Å²	158	147.2 Å²	147.2	85%	0.845	79%	0.788	S	S	*	*			trans	-75	76.6	169.5	-88.7	-38.4	0	0	0	110.4	E141	D139-E141 PolarHBondContact O-N 2.9Å
140	D	39.4	Very low	37.4	Very low	157 Å²	157	148.5 Å²	148.5	84%	0.84	80%	0.795	S	S	*	*			trans	-77	69.7	173.8	-159.7	19.4	0	0	0	110.1	D138	D138-D140 VanDerWaalsContact C-N 3.26Å; D138-D140 PolarHBondContact O-N 3.33Å
141	E	35.8	Very low	38.5	Very low	163 Å²	163	145.7 Å²	145.7	76%	0.762	79%	0.786	S	S	*	*			trans	-60.8	127.7	174.9	-78.2	-164	146	0	0	110.2	D139 K143	D139-E141 PolarHBondContact O-N 2.9Å; E141-K143 PolarHBondContact O-N 2.86Å; E141-K143 VanDerWaalsContact O-N 3.07Å
142	P	34	Very low	39.8	Very low	114 Å²	114	146.4 Å²	146.4	74%	0.74	78%	0.781	S	S	*	*			trans	-67.3	113.9	175.1	28.6	-32.7	0	0	0	108.6	E144	P142-E144 PolarHBondContact O-N 3.09Å
143	K	34.5	Very low	41.2	Very low	203 Å²	203	147 Å²	147	88%	0.883	78%	0.775	S	S	*	*			trans	-55.1	115.9	170.1	-69.2	-171.5	175.4	-170.3	0	109.3	E141	E141-K143 PolarHBondContact O-N 2.86Å; E141-K143 VanDerWaalsContact O-N 3.07Å
144	E	34.9	Very low	42.4	Very low	164 Å²	164	146 Å²	146	77%	0.766	76%	0.763	S	S	*	*			trans	-70.1	128.3	170.4	-57.5	-166	126.1	0	0	107.9	P142 E146	P142-E144 PolarHBondContact O-N 3.09Å; E144-E146 HydrophobicContact CB-CG 4.41Å; E144-E146 PolarHBondContact O-N 3.08Å
145	E	39.8	Very low	43.7	Very low	190 Å²	190	144.5 Å²	144.5	89%	0.888	75%	0.747	S	S	*	*			trans	-78.8	68	179.4	-66.8	179.5	146.4	0	0	109.5	D147	E145-D147 PolarHBondContact O-N 3.03Å; E145-D147 VanDerWaalsContact O-N 3.1Å
146	E	41.2	Very low	45.1	Very low	172 Å²	172	144.2 Å²	144.2	80%	0.804	74%	0.741	S	S	*	*			trans	-79.6	58.6	173	-66.4	-163.3	134.2	0	0	111.7	E144	E144-E146 HydrophobicContact CB-CG 4.41Å; E144-E146 PolarHBondContact O-N 3.08Å
147	D	43.7	Very low	46.4	Very low	147 Å²	147	139.1 Å²	139.1	79%	0.786	72%	0.721	S	S	*	*			trans	-134.6	6.1	-175.6	-91.5	-47.8	0	0	0	114.6	E145	E145-D147 PolarHBondContact O-N 3.03Å; E145-D147 VanDerWaalsContact O-N 3.1Å
148	D	43.6	Very low	47.5	Very low	149 Å²	149	132.3 Å²	132.3	80%	0.797	68%	0.684	S	S	*	*	S	Bend	trans	-98	-21.2	-175.1	-104.7	-5.2	0	0	0	115
149	D	42.9	Very low	49	Very low	152 Å²	152	128.1 Å²	128.1	81%	0.813	66%	0.66	S	S	*	*	S	Bend	trans	-86.1	-34.4	-172.4	-85.7	-31	0	0	0	114.2	D151	D149-D151 PolarHBondContact O-N 2.96Å
150	D	48.6	Very low	50.5	Low	143 Å²	143	124.6 Å²	124.6	77%	0.765	65%	0.647	S	S	*	*	H	α-helix	trans	-70	-31	-178.7	-96.9	-17.5	0	0	0	112.6	D152 D154	D150-D152 VanDerWaalsContact C-N 3.28Å; D150-D152 PolarHBondContact O-N 3.1Å; D150-D154 PolarHBondContact O-N 3.39Å
151	D	52.5	Low	51.8	Low	112 Å²	112	119.8 Å²	119.8	60%	0.599	62%	0.617	S	S	*	*	H	α-helix	trans	-71.6	-21.9	-175.3	-151.3	30.1	0	0	0	111.9	D149 N155	D149-D151 PolarHBondContact O-N 2.96Å; D151-N155 WeakPolarHBondContact O-CB 3.44Å; D151-N155 PolarHBondContact O-N 2.82Å
152	D	56.4	Low	53.3	Low	115 Å²	115	112.2 Å²	112.2	62%	0.615	58%	0.582	S	S	*	*	H	α-helix	trans	-85.7	-38.9	179.3	-123.2	5.1	0	0	0	112.7	D150 N155 E156	D150-D152 VanDerWaalsContact C-N 3.28Å; D150-D152 PolarHBondContact O-N 3.1Å; D152-N155 WeakPolarHBondContact O-CB 3.13Å; D152-N155 PolarHBondContact O-N 2.67Å; D152-N155 PolarHBondContact OD1-ND2 3.39Å; D152-E156 PolarHBondContact O-N 3.16Å
153	D	59.5	Low	54.5	Low	125 Å²	125	108.6 Å²	108.6	67%	0.668	57%	0.565	S	S	*	*	H	α-helix	trans	-67.6	-41	178.4	-137.8	39.7	0	0	0	110.9	N155 E156 A157	D153-N155 VanDerWaalsContact C-N 3.29Å; D153-N155 PolarHBondContact O-N 2.94Å; D153-E156 PolarHBondContact O-N 3.27Å; D153-A157 WeakPolarHBondContact O-CB 3.41Å; D153-A157 PolarHBondContact O-N 2.78Å
154	D	58.8	Low	55.9	Low	83 Å²	83	101.4 Å²	101.4	44%	0.444	54%	0.544	S	S	.	.	H	α-helix	trans	-76.6	-18.5	177.8	-154.3	-8.4	0	0	0	112.4	D150 M158 K549	D150-D154 PolarHBondContact O-N 3.39Å; D154-M158 WeakPolarHBondContact O-CB 3.32Å; D154-M158 PolarHBondContact O-N 3.31Å; D154-M158 VanDerWaalsContact O-N 3.16Å; D154-K549 IonicContact OD1-NZ 2.81Å; D154-K549 PolarHBondContact OD1-NZ 2.97Å; D154-K549 IonicContact OD2-NZ 3.25Å; D154-K549 PolarHBondContact OD2-NZ 3.35Å
155	N	61.3	Low	57.1	Low	59 Å²	59	95.2 Å²	95.2	32%	0.316	52%	0.515	S	S	.	.	H	α-helix	trans	-79.7	-40.1	169.3	177.3	34.6	0	0	0	111.7	D151 D152 D153 M158 E159 K546	D151-N155 WeakPolarHBondContact O-CB 3.44Å; D151-N155 PolarHBondContact O-N 2.82Å; D152-N155 WeakPolarHBondContact O-CB 3.13Å; D152-N155 PolarHBondContact O-N 2.67Å; D152-N155 PolarHBondContact OD1-ND2 3.39Å; D153-N155 VanDerWaalsContact C-N 3.29Å; D153-N155 PolarHBondContact O-N 2.94Å; N155-M158 PolarHBondContact O-N 2.99Å; N155-E159 WeakPolarHBondContact O-CG 3.23Å; N155-E159 PolarHBondContact O-N 2.87Å; N155-K546 PolarHBondContact OD1-NZ 3.48Å
156	E	65.4	Low	58	Low	142 Å²	142	90.4 Å²	90.4	66%	0.664	50%	0.495	S	S	*	.	H	α-helix	trans	-65.4	-40.3	169	-179.5	162.7	-164.8	0	0	111.4	D152 D153 M158 E159 S160	D152-E156 PolarHBondContact O-N 3.16Å; D153-E156 PolarHBondContact O-N 3.27Å; E156-M158 PolarHBondContact O-N 3.12Å; E156-E159 PolarHBondContact O-N 3.31Å; E156-S160 VanDerWaalsContact O-CB 3.3Å; E156-S160 WeakPolarHBondContact O-CB 3.32Å; E156-S160 PolarHBondContact O-N 3.16Å
157	A	65.5	Low	58.7	Low	53 Å²	53	88.6 Å²	88.6	44%	0.438	49%	0.486	S	S	.	.	H	α-helix	trans	-57	-39.8	171.8	0	0	0	0	0	111.8	D153 W161	D153-A157 WeakPolarHBondContact O-CB 3.41Å; D153-A157 PolarHBondContact O-N 2.78Å; A157-W161 WeakPolarHBondContact O-CB 3.19Å; A157-W161 PolarHBondContact O-N 3.46Å
158	M	64.3	Low	59.3	Low	19 Å²	19	89 Å²	89	9%	0.094	49%	0.489	C	S	.	.	H	α-helix	trans	-72.7	-37.2	175.9	-164.1	168.2	-160.1	0	0	113.4	D154 N155 E156 W161 L162 M545 K546 K549	D154-M158 WeakPolarHBondContact O-CB 3.32Å; D154-M158 PolarHBondContact O-N 3.31Å; D154-M158 VanDerWaalsContact O-N 3.16Å; N155-M158 PolarHBondContact O-N 2.99Å; E156-M158 PolarHBondContact O-N 3.12Å; M158-W161 HydrophobicContact CE-CE3 4.21Å; M158-W161 HydrophobicContact CE-CZ3 3.79Å; M158-W161 HydrophobicContact CG-CE3 4.21Å; M158-W161 PolarHBondContact O-N 2.82Å; M158-L162 HydrophobicContact CG-CD1 4.08Å; M158-L162 HydrophobicContact CG-CG 4.33Å; M158-L162 VanDerWaalsContact O-CB 3.31Å; M158-L162 WeakPolarHBondContact O-CB 3.2Å; M158-L162 WeakPolarHBondContact O-CG 3.35Å; M158-L162 PolarHBondContact O-N 3.25Å; M158-M545 HydrophobicContact CE-CB 4Å; M158-M545 WeakPolarHBondContact CE-O 3.41Å; M158-K546 HydrophobicContact SD-CB 4.32Å; M158-K546 HydrophobicContact SD-CG 3.76Å; M158-K549 HydrophobicContact CE-CB 3.89Å; M158-K549 HydrophobicContact CE-CG 4.45Å; M158-K549 HydrophobicContact SD-CB 4.01Å; M158-K549 HydrophobicContact SD-CD 3.86Å; M158-K549 HydrophobicContact SD-CG 4.34Å
159	E	68.3	Low	60.5	Low	70 Å²	70	83.5 Å²	83.5	33%	0.327	46%	0.459	S	S	.	.	H	α-helix	trans	-62.5	-44.4	171.8	-72.3	-69	174.6	0	0	111.8	N155 E156 L162 G163 K542 K546	N155-E159 WeakPolarHBondContact O-CG 3.23Å; N155-E159 PolarHBondContact O-N 2.87Å; E156-E159 PolarHBondContact O-N 3.31Å; E159-L162 PolarHBondContact O-N 3.15Å; E159-G163 PolarHBondContact O-N 3.26Å; E159-K542 WeakPolarHBondContact OE1-CE 3.41Å; E159-K542 IonicContact OE1-NZ 2.89Å; E159-K542 PolarHBondContact OE1-NZ 2.7Å; E159-K542 WeakPolarHBondContact OE2-CE 3.32Å; E159-K542 IonicContact OE2-NZ 3.58Å; E159-K542 PolarHBondContact OE2-NZ 3.5Å; E159-K546 WeakPolarHBondContact OE1-CE 3.37Å; E159-K546 IonicContact OE1-NZ 3.36Å; E159-K546 PolarHBondContact OE1-NZ 3.34Å
160	S	69.6	Low	61.6	Low	84 Å²	84	87.3 Å²	87.3	59%	0.587	46%	0.462	S	S	*	.	H	α-helix	trans	-61	-46.3	176.1	-177	0	0	0	0	111.4	E156 G163 A164	E156-S160 VanDerWaalsContact O-CB 3.3Å; E156-S160 WeakPolarHBondContact O-CB 3.32Å; E156-S160 PolarHBondContact O-N 3.16Å; S160-G163 PolarHBondContact O-N 3.35Å; S160-A164 WeakPolarHBondContact O-CB 3.38Å; S160-A164 PolarHBondContact O-N 3.33Å
161	W	67.4	Low	62.3	Low	56 Å²	56	83.2 Å²	83.2	21%	0.212	45%	0.453	C	S	.	.	H	α-helix	trans	-64	-47.6	176.1	173.2	58.1	0	0	0	112.7	A157 M158 G163 A164 E165 K452 M545	A157-W161 WeakPolarHBondContact O-CB 3.19Å; A157-W161 PolarHBondContact O-N 3.46Å; M158-W161 HydrophobicContact CE-CE3 4.21Å; M158-W161 HydrophobicContact CE-CZ3 3.79Å; M158-W161 HydrophobicContact CG-CE3 4.21Å; M158-W161 PolarHBondContact O-N 2.82Å; W161-G163 VanDerWaalsContact C-N 3.34Å; W161-G163 PolarHBondContact O-N 2.9Å; W161-A164 PolarHBondContact O-N 2.82Å; W161-E165 WeakPolarHBondContact CZ2-OE1 3.32Å; W161-E165 VanDerWaalsContact NE1-CD 3.26Å; W161-E165 PolarHBondContact NE1-OE1 3.26Å; W161-E165 PolarHBondContact O-N 3.04Å; W161-K452 HydrophobicContact CH2-CB 3.67Å; W161-K452 HydrophobicContact CH2-CD 4.38Å; W161-K452 HydrophobicContact CZ2-CB 3.62Å; W161-K452 HydrophobicContact CZ2-CD 3.99Å; W161-K452 HydrophobicContact CZ2-CG 4.09Å; W161-M545 HydrophobicContact CH2-CE 3.18Å; W161-M545 HydrophobicContact CZ2-CE 4.15Å; W161-M545 HydrophobicContact CZ3-CE 3.52Å
162	L	66.1	Low	63.1	Low	5 Å²	5	81.5 Å²	81.5	3%	0.026	45%	0.448	C	S	.	.	H	α-helix	trans	-62.3	-40.3	176.7	-72.1	172.2	0	0	0	111.4	M158 E159 E165 L166 K542 M545	M158-L162 HydrophobicContact CG-CD1 4.08Å; M158-L162 HydrophobicContact CG-CG 4.33Å; M158-L162 VanDerWaalsContact O-CB 3.31Å; M158-L162 WeakPolarHBondContact O-CB 3.2Å; M158-L162 WeakPolarHBondContact O-CG 3.35Å; M158-L162 PolarHBondContact O-N 3.25Å; E159-L162 PolarHBondContact O-N 3.15Å; L162-E165 PolarHBondContact O-N 2.78Å; L162-L166 HydrophobicContact CB-CD1 4.41Å; L162-L166 WeakPolarHBondContact O-CB 3.47Å; L162-L166 WeakPolarHBondContact O-CD1 3.45Å; L162-L166 WeakPolarHBondContact O-CG 3.47Å; L162-L166 PolarHBondContact O-N 3.3Å; L162-K542 HydrophobicContact CD1-CB 4.19Å; L162-K542 HydrophobicContact CD1-CD 4.3Å; L162-K542 HydrophobicContact CD1-CG 3.8Å; L162-M545 HydrophobicContact CD2-CE 3.51Å; L162-M545 HydrophobicContact CD2-SD 3.67Å
163	G	60.8	Low	63.9	Low	37 Å²	37	82.9 Å²	82.9	38%	0.381	46%	0.461	S	S	.	.	H	α-helix	trans	-62.5	-42.3	173.6	0	0	0	0	0	112.8	E159 S160 W161 E165 L166 H167	E159-G163 PolarHBondContact O-N 3.26Å; S160-G163 PolarHBondContact O-N 3.35Å; W161-G163 VanDerWaalsContact C-N 3.34Å; W161-G163 PolarHBondContact O-N 2.9Å; G163-E165 VanDerWaalsContact C-N 3.33Å; G163-E165 PolarHBondContact O-N 2.82Å; G163-L166 PolarHBondContact O-N 3.09Å; G163-H167 PolarHBondContact O-CD2 3.18Å; G163-H167 VanDerWaalsContact O-CD2 3.3Å; G163-H167 PolarHBondContact O-N 3.07Å
164	A	62.3	Low	65	Low	53 Å²	53	78.8 Å²	78.8	44%	0.438	44%	0.436	S	S	.	.	H	α-helix	trans	-66.4	-31.3	176.8	0	0	0	0	0	113.2	S160 W161 R491	S160-A164 WeakPolarHBondContact O-CB 3.38Å; S160-A164 PolarHBondContact O-N 3.33Å; W161-A164 PolarHBondContact O-N 2.82Å; A164-R491 PolarHBondContact O-NE 3.15Å; A164-R491 PolarHBondContact O-NH2 3.38Å
165	E	60.2	Low	66.2	Low	33 Å²	33	81 Å²	81	15%	0.154	44%	0.444	C	S	.	.	H	α-helix	trans	-85.9	-31.2	174.8	-74.1	-163.1	-171.6	0	0	114.4	W161 L162 G163 H167 R491	W161-E165 WeakPolarHBondContact CZ2-OE1 3.32Å; W161-E165 VanDerWaalsContact NE1-CD 3.26Å; W161-E165 PolarHBondContact NE1-OE1 3.26Å; W161-E165 PolarHBondContact O-N 3.04Å; L162-E165 PolarHBondContact O-N 2.78Å; G163-E165 VanDerWaalsContact C-N 3.33Å; G163-E165 PolarHBondContact O-N 2.82Å; E165-H167 VanDerWaalsContact C-N 3.34Å; E165-H167 PolarHBondContact O-N 3.16Å; E165-R491 HydrophobicContact CB-CG 4.18Å; E165-R491 HydrophobicContact CG-CG 4.29Å; E165-R491 WeakPolarHBondContact O-CD 3.43Å; E165-R491 VanDerWaalsContact O-CG 3.28Å; E165-R491 WeakPolarHBondContact O-CG 3.47Å; E165-R491 PolarHBondContact O-NE 3.24Å
166	L	59.9	Low	67.3	Low	90 Å²	90	80.6 Å²	80.6	47%	0.471	45%	0.449	S	S	.	.	H	α-helix	trans	-81	-7.8	-178.6	-70.8	169	0	0	0	114.4	L162 G163 L538 L541	L162-L166 HydrophobicContact CB-CD1 4.41Å; L162-L166 WeakPolarHBondContact O-CB 3.47Å; L162-L166 WeakPolarHBondContact O-CD1 3.45Å; L162-L166 WeakPolarHBondContact O-CG 3.47Å; L162-L166 PolarHBondContact O-N 3.3Å; G163-L166 PolarHBondContact O-N 3.09Å; L166-L538 HydrophobicContact CD2-CD1 3.81Å; L166-L541 HydrophobicContact CD2-CD2 4.38Å
167	H	56.6	Low	68.4	Low	133 Å²	133	79.4 Å²	79.4	62%	0.616	45%	0.451	S	S	*	.	S	Bend	trans	-57.7	142.5	171.5	-98	-65.1	0	0	0	112.4	G163 E165 L169 R491	G163-H167 PolarHBondContact O-CD2 3.18Å; G163-H167 VanDerWaalsContact O-CD2 3.3Å; G163-H167 PolarHBondContact O-N 3.07Å; E165-H167 VanDerWaalsContact C-N 3.34Å; E165-H167 PolarHBondContact O-N 3.16Å; H167-L169 PolarHBondContact O-N 2.79Å; H167-R491 PolarHBondContact O-NH1 2.72Å
168	D	56.3	Low	69.6	Low	156 Å²	156	79.9 Å²	79.9	83%	0.834	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-50	122.9	-179.3	-97.5	-45.8	0	0	0	113.2
169	L	67.3	Low	70.7	Confident	33 Å²	33	79.9 Å²	79.9	17%	0.173	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-70.1	138.7	164.2	-76.5	170.5	0	0	0	109.2	H167 G171 R200 D486 S489 R491 V493	H167-L169 PolarHBondContact O-N 2.79Å; L169-G171 PolarHBondContact O-N 2.85Å; L169-R200 PolarHBondContact O-NH2 3.08Å; L169-D486 HydrophobicContact CD1-CB 4.09Å; L169-S489 WeakPolarHBondContact CD2-OG 3.41Å; L169-R491 HydrophobicContact CD1-CB 4.39Å; L169-V493 HydrophobicContact CD1-CG1 3.59Å
170	R	67.2	Low	71.7	Confident	233 Å²	233	80.1 Å²	80.1	88%	0.879	46%	0.455	S	S	*	.			trans	-39.5	138.2	172.7	-71	-172.1	179.1	-168.3	1.3	111	R200	R170-R200 PolarHBondContact O-NH1 2.97Å; R170-R200 PolarHBondContact O-NH2 2.93Å; R170-R200 VanDerWaalsContact O-NH2 3.13Å
171	G	63.5	Low	72.7	Confident	56 Å²	56	85.2 Å²	85.2	58%	0.577	46%	0.461	S	S	*	.	S	Bend	trans	-49.9	152.5	-174.7	0	0	0	0	0	113.5	L169 T173	L169-G171 PolarHBondContact O-N 2.85Å; G171-T173 PolarHBondContact O-N 2.78Å
172	P	69.1	Low	73.8	Confident	77 Å²	77	84.3 Å²	84.3	50%	0.5	46%	0.463	S	S	.	.			trans	-53.3	123.9	-168.9	20.9	-33.3	0	0	0	112	W174	P172-W174 PolarHBondContact O-N 2.66Å
173	T	72	Confident	75	Confident	144 Å²	144	88.9 Å²	88.9	88%	0.883	48%	0.48	S	S	*	.	S	Bend	trans	-64.1	-25.9	-178.7	49.3	0	0	0	0	112.6	G171	G171-T173 PolarHBondContact O-N 2.78Å
174	W	83.6	Confident	76.5	Confident	39 Å²	39	92.9 Å²	92.9	15%	0.148	49%	0.488	C	S	.	.	S	Bend	trans	-96.4	128.2	174.1	-177.8	72.9	0	0	0	111.5	P172 A176 S179 F192 R195 V196 A199 L202	P172-W174 PolarHBondContact O-N 2.66Å; W174-A176 HydrophobicContact CE3-CB 4.43Å; W174-A176 HydrophobicContact CH2-CB 3.61Å; W174-A176 HydrophobicContact CZ2-CB 4.37Å; W174-A176 HydrophobicContact CZ3-CB 3.65Å; W174-S179 PolarHBondContact NE1-OG 3.11Å; W174-F192 HydrophobicContact CZ2-CE2 4.01Å; W174-F192 HydrophobicContact CZ2-CZ 4.45Å; W174-R195 HydrophobicContact CG-CB 4.35Å; W174-V196 HydrophobicContact CH2-CG2 3.6Å; W174-V196 HydrophobicContact CZ2-CG2 3.42Å; W174-V196 VanDerWaalsContact CZ2-CG2 3.42Å; W174-V196 HydrophobicContact CZ3-CG2 4.5Å; W174-A199 HydrophobicContact CB-CB 4.09Å; W174-A199 HydrophobicContact CD2-CB 4.01Å; W174-A199 HydrophobicContact CE3-CB 3.55Å; W174-A199 HydrophobicContact CG-CB 4.26Å; W174-A199 HydrophobicContact CZ3-CB 4.29Å; W174-L202 HydrophobicContact CE3-CD1 4.49Å; W174-L202 HydrophobicContact CZ3-CD1 3.97Å
175	Q	82.9	Confident	78	Confident	130 Å²	130	96.1 Å²	96.1	61%	0.607	50%	0.497	S	S	*	.			trans	-107.4	123	175.6	-63.3	-179.6	-8.3	0	0	110	P178 S179	Q175-P178 HydrophobicContact CB-CG 4.02Å; Q175-S179 VanDerWaalsContact O-CB 3.28Å; Q175-S179 WeakPolarHBondContact O-CB 3.41Å; Q175-S179 PolarHBondContact O-N 3.03Å; Q175-S179 PolarHBondContact O-OG 3.44Å
176	A	85.6	Confident	79.3	Confident	50 Å²	50	97.2 Å²	97.2	41%	0.413	52%	0.517	S	S	.	.	H	α-helix	trans	-65.2	-56.5	-173.2	0	0	0	0	0	113.2	W174 S179 L180	W174-A176 HydrophobicContact CE3-CB 4.43Å; W174-A176 HydrophobicContact CH2-CB 3.61Å; W174-A176 HydrophobicContact CZ2-CB 4.37Å; W174-A176 HydrophobicContact CZ3-CB 3.65Å; A176-S179 PolarHBondContact O-N 2.81Å; A176-S179 VanDerWaalsContact O-N 3.13Å; A176-L180 WeakPolarHBondContact O-CB 3.44Å; A176-L180 PolarHBondContact O-N 2.85Å
177	V	88.9	Confident	80.6	Confident	116 Å²	116	100.8 Å²	100.8	70%	0.703	53%	0.525	S	S	*	.	H	α-helix	trans	-60.7	-46.2	-173.2	179.6	0	0	0	0	113.1	S179 L180 R181	V177-S179 VanDerWaalsContact C-N 3.31Å; V177-S179 PolarHBondContact O-N 2.98Å; V177-L180 PolarHBondContact O-N 3.23Å; V177-R181 WeakPolarHBondContact O-CB 3.19Å; V177-R181 PolarHBondContact O-N 3.41Å
178	P	88.9	Confident	81.9	Confident	64 Å²	64	97.8 Å²	97.8	42%	0.416	51%	0.513	S	S	.	.	H	α-helix	trans	-65.3	-33.4	175.6	-22.1	35.3	0	0	0	113.2	Q175 S182	Q175-P178 HydrophobicContact CB-CG 4.02Å; P178-S182 WeakPolarHBondContact O-CB 3.47Å; P178-S182 PolarHBondContact O-N 3.16Å; P178-S182 PolarHBondContact O-OG 2.95Å
179	S	88.4	Confident	83.1	Confident	19 Å²	19	93 Å²	93	13%	0.133	49%	0.491	C	S	.	.	H	α-helix	trans	-72.1	-42.1	178.4	-59.3	0	0	0	0	111.6	W174 Q175 A176 V177 S182 R183	W174-S179 PolarHBondContact NE1-OG 3.11Å; Q175-S179 VanDerWaalsContact O-CB 3.28Å; Q175-S179 WeakPolarHBondContact O-CB 3.41Å; Q175-S179 PolarHBondContact O-N 3.03Å; Q175-S179 PolarHBondContact O-OG 3.44Å; A176-S179 PolarHBondContact O-N 2.81Å; A176-S179 VanDerWaalsContact O-N 3.13Å; V177-S179 VanDerWaalsContact C-N 3.31Å; V177-S179 PolarHBondContact O-N 2.98Å; S179-S182 WeakPolarHBondContact O-CB 3.36Å; S179-S182 PolarHBondContact O-N 2.98Å; S179-R183 PolarHBondContact O-N 2.9Å
180	L	89.9	Confident	83.7	Confident	75 Å²	75	98.6 Å²	98.6	39%	0.393	52%	0.517	S	S	.	.	H	α-helix	trans	-63.9	-49.6	174.9	-177.3	65.2	0	0	0	110.3	A176 V177 S182 R183 E184 F192	A176-L180 WeakPolarHBondContact O-CB 3.44Å; A176-L180 PolarHBondContact O-N 2.85Å; V177-L180 PolarHBondContact O-N 3.23Å; L180-S182 PolarHBondContact O-N 3.28Å; L180-R183 WeakPolarHBondContact O-CA 3.39Å; L180-R183 VanDerWaalsContact O-CB 3.3Å; L180-R183 WeakPolarHBondContact O-CB 3.23Å; L180-R183 PolarHBondContact O-N 3.5Å; L180-E184 WeakPolarHBondContact CD1-OE1 3.43Å; L180-E184 WeakPolarHBondContact O-CG 3.23Å; L180-E184 PolarHBondContact O-N 3.38Å; L180-F192 HydrophobicContact CB-CE2 4.09Å; L180-F192 HydrophobicContact CD1-CE2 4.25Å; L180-F192 HydrophobicContact CD1-CZ 4.05Å
181	R	90.8	Very high	84.5	Confident	191 Å²	191	90.4 Å²	90.4	72%	0.721	49%	0.488	S	S	*	.	H	α-helix	trans	-56.6	-35.7	174.8	-174.9	178	179.1	-171.3	0.7	112.4	V177 I185	V177-R181 WeakPolarHBondContact O-CB 3.19Å; V177-R181 PolarHBondContact O-N 3.41Å; R181-I185 WeakPolarHBondContact O-CG1 3.48Å; R181-I185 PolarHBondContact O-N 3.22Å
182	S	90	Very high	85.6	Confident	36 Å²	36	89.3 Å²	89.3	25%	0.252	47%	0.468	S	S	.	.	H	α-helix	trans	-65.6	-45.1	173.7	-59.8	0	0	0	0	111.5	P178 S179 L180 E184 I185 G186 R187	P178-S182 WeakPolarHBondContact O-CB 3.47Å; P178-S182 PolarHBondContact O-N 3.16Å; P178-S182 PolarHBondContact O-OG 2.95Å; S179-S182 WeakPolarHBondContact O-CB 3.36Å; S179-S182 PolarHBondContact O-N 2.98Å; L180-S182 PolarHBondContact O-N 3.28Å; S182-E184 PolarHBondContact O-N 2.68Å; S182-I185 VanDerWaalsContact O-CG1 3.29Å; S182-I185 WeakPolarHBondContact O-CG1 3.37Å; S182-I185 PolarHBondContact O-N 2.84Å; S182-G186 PolarHBondContact O-N 3.42Å; S182-R187 CarbonylContact C-O 3.39Å; S182-R187 WeakPolarHBondContact CB-O 3.23Å; S182-R187 WeakPolarHBondContact O-CA 3.43Å; S182-R187 PolarHBondContact O-N 3.28Å
183	R	91.9	Very high	86.4	Confident	102 Å²	102	89.1 Å²	89.1	39%	0.385	47%	0.465	S	S	.	.	H	α-helix	trans	-57.4	-47.6	176	-168.4	-166.9	73.5	154.9	5.2	112	S179 L180 I185 G186 F192	S179-R183 PolarHBondContact O-N 2.9Å; L180-R183 WeakPolarHBondContact O-CA 3.39Å; L180-R183 VanDerWaalsContact O-CB 3.3Å; L180-R183 WeakPolarHBondContact O-CB 3.23Å; L180-R183 PolarHBondContact O-N 3.5Å; R183-I185 VanDerWaalsContact C-N 3.27Å; R183-I185 PolarHBondContact O-N 2.7Å; R183-G186 WeakPolarHBondContact O-CA 3.48Å; R183-G186 PolarHBondContact O-N 3.14Å; R183-F192 HydrophobicContact CB-CB 4.36Å; R183-F192 HydrophobicContact CB-CD2 4.07Å; R183-F192 HydrophobicContact CB-CG 4.2Å; R183-F192 HydrophobicContact CG-CB 4.22Å; R183-F192 HydrophobicContact CG-CG 4.2Å
184	E	92.2	Very high	87	Confident	120 Å²	120	87.5 Å²	87.5	56%	0.561	44%	0.443	S	S	*	.	H	α-helix	trans	-63	-31.2	-178.1	-56.4	-36.9	109.5	0	0	113	L180 S182 G186	L180-E184 WeakPolarHBondContact CD1-OE1 3.43Å; L180-E184 WeakPolarHBondContact O-CG 3.23Å; L180-E184 PolarHBondContact O-N 3.38Å; S182-E184 PolarHBondContact O-N 2.68Å; E184-G186 VanDerWaalsContact C-N 3.26Å; E184-G186 PolarHBondContact O-N 3.44Å
185	I	93	Very high	87.2	Confident	121 Å²	121	91.2 Å²	91.2	62%	0.621	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	17.9	173.3	70.4	178.6	0	0	0	112.9	R181 S182 R183 R187	R181-I185 WeakPolarHBondContact O-CG1 3.48Å; R181-I185 PolarHBondContact O-N 3.22Å; S182-I185 VanDerWaalsContact O-CG1 3.29Å; S182-I185 WeakPolarHBondContact O-CG1 3.37Å; S182-I185 PolarHBondContact O-N 2.84Å; R183-I185 VanDerWaalsContact C-N 3.27Å; R183-I185 PolarHBondContact O-N 2.7Å; I185-R187 HydrophobicContact CD1-CB 4.44Å; I185-R187 HydrophobicContact CG1-CB 4.02Å; I185-R187 PolarHBondContact O-N 2.84Å; I185-R187 VanDerWaalsContact O-N 3.07Å
186	G	87.9	Confident	87.4	Confident	56 Å²	56	86 Å²	86	58%	0.577	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	-10.8	-179.4	0	0	0	0	0	115.6	S182 R183 E184 N188	S182-G186 PolarHBondContact O-N 3.42Å; R183-G186 WeakPolarHBondContact O-CA 3.48Å; R183-G186 PolarHBondContact O-N 3.14Å; E184-G186 VanDerWaalsContact C-N 3.26Å; E184-G186 PolarHBondContact O-N 3.44Å; G186-N188 PolarHBondContact O-N 3.13Å
187	R	87.6	Confident	87.6	Confident	166 Å²	166	83.9 Å²	83.9	63%	0.626	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	122.9	-174	-171.6	177.1	-174.5	178.8	2.6	111.4	S182 I185 S189	S182-R187 CarbonylContact C-O 3.39Å; S182-R187 WeakPolarHBondContact CB-O 3.23Å; S182-R187 WeakPolarHBondContact O-CA 3.43Å; S182-R187 PolarHBondContact O-N 3.28Å; I185-R187 HydrophobicContact CD1-CB 4.44Å; I185-R187 HydrophobicContact CG1-CB 4.02Å; I185-R187 PolarHBondContact O-N 2.84Å; I185-R187 VanDerWaalsContact O-N 3.07Å; R187-S189 PolarHBondContact O-N 2.92Å
188	N	82.5	Confident	87.7	Confident	69 Å²	69	78.8 Å²	78.8	37%	0.369	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	24.4	179.3	-54.1	-20.4	0	0	0	114.1	G186 H190 Q191 F192	G186-N188 PolarHBondContact O-N 3.13Å; N188-H190 VanDerWaalsContact C-N 3.29Å; N188-H190 PolarHBondContact O-N 2.8Å; N188-Q191 HydrophobicContact CB-CB 4.37Å; N188-Q191 HydrophobicContact CB-CG 4.35Å; N188-Q191 WeakPolarHBondContact O-CA 3.17Å; N188-Q191 WeakPolarHBondContact O-CB 3.48Å; N188-Q191 PolarHBondContact O-N 2.73Å; N188-F192 PolarHBondContact O-N 3.34Å
189	S	82.4	Confident	87.8	Confident	55 Å²	55	76 Å²	76	39%	0.385	37%	0.369	S	S	.	.	H	α-helix	trans	-53.5	-43	-175.3	-174.2	0	0	0	0	112.9	R187 Q191 F192	R187-S189 PolarHBondContact O-N 2.92Å; S189-Q191 PolarHBondContact O-N 3.37Å; S189-Q191 VanDerWaalsContact O-N 3.14Å; S189-F192 VanDerWaalsContact O-CB 3.27Å; S189-F192 WeakPolarHBondContact O-CB 3.49Å; S189-F192 PolarHBondContact O-N 3.31Å
190	H	79.8	Confident	88	Confident	151 Å²	151	76.7 Å²	76.7	70%	0.699	37%	0.369	S	S	*	.	H	α-helix	trans	-60.4	-22.9	174.9	67.1	-98.6	0	0	0	114.4	N188	N188-H190 VanDerWaalsContact C-N 3.29Å; N188-H190 PolarHBondContact O-N 2.8Å
191	Q	84.1	Confident	88.1	Confident	62 Å²	62	74.4 Å²	74.4	29%	0.29	36%	0.363	S	S	.	.	H	α-helix	trans	-89.7	-13.4	176.3	-49.7	-169.7	2.8	0	0	112.8	N188 S189 R194 R195	N188-Q191 HydrophobicContact CB-CB 4.37Å; N188-Q191 HydrophobicContact CB-CG 4.35Å; N188-Q191 WeakPolarHBondContact O-CA 3.17Å; N188-Q191 WeakPolarHBondContact O-CB 3.48Å; N188-Q191 PolarHBondContact O-N 2.73Å; S189-Q191 PolarHBondContact O-N 3.37Å; S189-Q191 VanDerWaalsContact O-N 3.14Å; Q191-R194 PolarHBondContact O-N 3.41Å; Q191-R195 WeakPolarHBondContact O-CB 3.27Å; Q191-R195 WeakPolarHBondContact O-CD 3.41Å; Q191-R195 WeakPolarHBondContact O-CG 3.35Å; Q191-R195 PolarHBondContact O-N 2.93Å
192	F	87.2	Confident	88.2	Confident	33 Å²	33	66.8 Å²	66.8	15%	0.145	34%	0.337	C	S	.	.	H	α-helix	trans	-61.1	-56.5	-176	179.2	-94.7	0	0	0	110.8	W174 L180 R183 N188 S189 R194 R195 V196	W174-F192 HydrophobicContact CZ2-CE2 4.01Å; W174-F192 HydrophobicContact CZ2-CZ 4.45Å; L180-F192 HydrophobicContact CB-CE2 4.09Å; L180-F192 HydrophobicContact CD1-CE2 4.25Å; L180-F192 HydrophobicContact CD1-CZ 4.05Å; R183-F192 HydrophobicContact CB-CB 4.36Å; R183-F192 HydrophobicContact CB-CD2 4.07Å; R183-F192 HydrophobicContact CB-CG 4.2Å; R183-F192 HydrophobicContact CG-CB 4.22Å; R183-F192 HydrophobicContact CG-CG 4.2Å; N188-F192 PolarHBondContact O-N 3.34Å; S189-F192 VanDerWaalsContact O-CB 3.27Å; S189-F192 WeakPolarHBondContact O-CB 3.49Å; S189-F192 PolarHBondContact O-N 3.31Å; F192-R194 VanDerWaalsContact C-N 3.32Å; F192-R194 PolarHBondContact O-N 3.02Å; F192-R195 PolarHBondContact O-N 3.47Å; F192-V196 HydrophobicContact CD1-CG2 4.04Å; F192-V196 HydrophobicContact CE1-CG2 3.69Å; F192-V196 HydrophobicContact CE2-CG2 4.21Å; F192-V196 HydrophobicContact CG-CG2 4.45Å; F192-V196 HydrophobicContact CZ-CG2 3.79Å; F192-V196 VanDerWaalsContact O-CG2 3.28Å; F192-V196 WeakPolarHBondContact O-CG2 3.44Å; F192-V196 PolarHBondContact O-N 3.35Å
193	V	84.3	Confident	88.4	Confident	73 Å²	73	65.1 Å²	65.1	44%	0.442	33%	0.325	S	S	.	.	H	α-helix	trans	-59.1	-44.8	179	-177.9	0	0	0	0	110.7	R195 V196 C197 H512	V193-R195 VanDerWaalsContact C-N 3.33Å; V193-R195 PolarHBondContact O-N 2.9Å; V193-V196 PolarHBondContact O-N 2.8Å; V193-C197 PolarHBondContact O-N 3.04Å; V193-C197 PolarHBondContact O-SG 3.16Å; V193-H512 WeakPolarHBondContact CG1-O 3.31Å
194	R	84.9	Confident	88.5	Confident	110 Å²	110	62.4 Å²	62.4	42%	0.415	32%	0.317	S	S	.	.	H	α-helix	trans	-54	-48.6	177.8	-158.2	-175.4	178.6	179.7	-3.6	111.8	Q191 F192 G198 H420 P468 C469	Q191-R194 PolarHBondContact O-N 3.41Å; F192-R194 VanDerWaalsContact C-N 3.32Å; F192-R194 PolarHBondContact O-N 3.02Å; R194-G198 PolarHBondContact O-N 3.28Å; R194-H420 PolarHBondContact NH2-CD2 3.49Å; R194-H420 PolarHBondContact NH2-NE2 3.33Å; R194-P468 HydrophobicContact CG-CB 3.68Å; R194-P468 HydrophobicContact CG-CG 4.19Å; R194-P468 PolarHBondContact NE-O 3.47Å; R194-P468 PolarHBondContact NH2-O 2.89Å; R194-C469 PolarHBondContact NE-SG 2.55Å; R194-C469 PolarHBondContact NH2-SG 3.1Å
195	R	87.4	Confident	88.6	Confident	116 Å²	116	59.8 Å²	59.8	44%	0.438	30%	0.302	S	S	.	.	H	α-helix	trans	-73.1	-31.2	-179.8	-66.6	167.3	-178.3	-129.1	3	113.6	W174 Q191 F192 V193 A199	W174-R195 HydrophobicContact CG-CB 4.35Å; Q191-R195 WeakPolarHBondContact O-CB 3.27Å; Q191-R195 WeakPolarHBondContact O-CD 3.41Å; Q191-R195 WeakPolarHBondContact O-CG 3.35Å; Q191-R195 PolarHBondContact O-N 2.93Å; F192-R195 PolarHBondContact O-N 3.47Å; V193-R195 VanDerWaalsContact C-N 3.33Å; V193-R195 PolarHBondContact O-N 2.9Å; R195-A199 WeakPolarHBondContact O-CB 3.39Å; R195-A199 PolarHBondContact O-N 2.69Å
196	V	88.7	Confident	88.8	Confident	20 Å²	20	54.4 Å²	54.4	12%	0.121	27%	0.274	C	S	.	.	H	α-helix	trans	-64.9	-46.5	174.4	167.4	0	0	0	0	110.6	W174 F192 V193 G198 A199 L202 P514	W174-V196 HydrophobicContact CH2-CG2 3.6Å; W174-V196 HydrophobicContact CZ2-CG2 3.42Å; W174-V196 VanDerWaalsContact CZ2-CG2 3.42Å; W174-V196 HydrophobicContact CZ3-CG2 4.5Å; F192-V196 HydrophobicContact CD1-CG2 4.04Å; F192-V196 HydrophobicContact CE1-CG2 3.69Å; F192-V196 HydrophobicContact CE2-CG2 4.21Å; F192-V196 HydrophobicContact CG-CG2 4.45Å; F192-V196 HydrophobicContact CZ-CG2 3.79Å; F192-V196 VanDerWaalsContact O-CG2 3.28Å; F192-V196 WeakPolarHBondContact O-CG2 3.44Å; F192-V196 PolarHBondContact O-N 3.35Å; V193-V196 PolarHBondContact O-N 2.8Å; V196-G198 VanDerWaalsContact C-N 3.29Å; V196-G198 PolarHBondContact O-N 3.49Å; V196-A199 WeakPolarHBondContact O-CB 3.4Å; V196-A199 PolarHBondContact O-N 3.03Å; V196-A199 VanDerWaalsContact O-N 3.15Å; V196-L202 HydrophobicContact CG1-CD1 4.44Å; V196-L202 HydrophobicContact CG1-CD2 3.72Å; V196-P514 HydrophobicContact CG1-CG 4.26Å
197	C	89.6	Confident	89.2	Confident	6 Å²	6	56.1 Å²	56.1	4%	0.041	27%	0.267	C	S	.	.	H	α-helix	trans	-67.3	-31.4	-179.2	-57.3	0	0	0	0	112.2	V193 Y466 P468	V193-C197 PolarHBondContact O-N 3.04Å; V193-C197 PolarHBondContact O-SG 3.16Å; C197-Y466 WeakPolarHBondContact O-CE1 3.37Å; C197-P468 HydrophobicContact CB-CG 3.61Å
198	G	90.1	Very high	89.6	Confident	10 Å²	10	51.3 Å²	51.3	10%	0.103	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	4.8	172.2	0	0	0	0	0	116.2	R194 V196 E471 F472	R194-G198 PolarHBondContact O-N 3.28Å; V196-G198 VanDerWaalsContact C-N 3.29Å; V196-G198 PolarHBondContact O-N 3.49Å; G198-E471 WeakPolarHBondContact CA-OE1 3.49Å; G198-F472 WeakPolarHBondContact O-CE2 3.22Å
199	A	92	Very high	90.3	Very high	4 Å²	4	51 Å²	51	3%	0.033	25%	0.25	C	C	.	.			trans	-88.6	119.5	-174.6	0	0	0	0	0	112.8	W174 R195 V196 G201 L202 V203	W174-A199 HydrophobicContact CB-CB 4.09Å; W174-A199 HydrophobicContact CD2-CB 4.01Å; W174-A199 HydrophobicContact CE3-CB 3.55Å; W174-A199 HydrophobicContact CG-CB 4.26Å; W174-A199 HydrophobicContact CZ3-CB 4.29Å; R195-A199 WeakPolarHBondContact O-CB 3.39Å; R195-A199 PolarHBondContact O-N 2.69Å; V196-A199 WeakPolarHBondContact O-CB 3.4Å; V196-A199 PolarHBondContact O-N 3.03Å; V196-A199 VanDerWaalsContact O-N 3.15Å; A199-G201 PolarHBondContact O-N 3.36Å; A199-G201 VanDerWaalsContact O-N 3.09Å; A199-L202 HydrophobicContact CB-CD1 3.78Å; A199-L202 PolarHBondContact O-N 2.68Å; A199-V203 PolarHBondContact O-N 3.09Å
200	R	92	Very high	90.8	Very high	35 Å²	35	48.9 Å²	48.9	13%	0.132	24%	0.237	C	C	.	.	H	α-helix	trans	-50.1	-38.5	178.9	-163.6	179.5	73.6	-139.7	14.9	113.7	L169 R170 L202 V203 Q204 F472 V493	L169-R200 PolarHBondContact O-NH2 3.08Å; R170-R200 PolarHBondContact O-NH1 2.97Å; R170-R200 PolarHBondContact O-NH2 2.93Å; R170-R200 VanDerWaalsContact O-NH2 3.13Å; R200-L202 PolarHBondContact O-N 2.88Å; R200-V203 PolarHBondContact O-N 3.44Å; R200-V203 VanDerWaalsContact O-N 3.15Å; R200-Q204 HydrophobicContact CG-CG 4.14Å; R200-Q204 WeakPolarHBondContact O-CB 3.22Å; R200-Q204 VanDerWaalsContact O-CG 3.32Å; R200-Q204 WeakPolarHBondContact O-CG 3.46Å; R200-Q204 PolarHBondContact O-N 3.44Å; R200-F472 HydrophobicContact CB-CE1 4.22Å; R200-F472 HydrophobicContact CB-CZ 3.81Å; R200-F472 HydrophobicContact CG-CE1 4.01Å; R200-F472 HydrophobicContact CG-CZ 4.12Å; R200-V493 HydrophobicContact CG-CB 4.32Å; R200-V493 HydrophobicContact CG-CG1 4.17Å
201	G	91	Very high	91.6	Very high	27 Å²	27	45.9 Å²	45.9	28%	0.278	22%	0.219	S	C	.	.	H	α-helix	trans	-64.5	-20.7	179.2	0	0	0	0	0	114.9	A199 R205	A199-G201 PolarHBondContact O-N 3.36Å; A199-G201 VanDerWaalsContact O-N 3.09Å; G201-R205 VanDerWaalsContact O-CD 3.25Å; G201-R205 WeakPolarHBondContact O-CD 3.29Å; G201-R205 WeakPolarHBondContact O-CG 3.29Å
202	L	92.9	Very high	92.2	Very high	31 Å²	31	43 Å²	43	16%	0.162	21%	0.206	C	C	.	.	H	α-helix	trans	-86.8	-41.1	169.6	-73.9	91.9	0	0	0	110.8	W174 V196 A199 R200 Q204 R205 L206 P514 P530	W174-L202 HydrophobicContact CE3-CD1 4.49Å; W174-L202 HydrophobicContact CZ3-CD1 3.97Å; V196-L202 HydrophobicContact CG1-CD1 4.44Å; V196-L202 HydrophobicContact CG1-CD2 3.72Å; A199-L202 HydrophobicContact CB-CD1 3.78Å; A199-L202 PolarHBondContact O-N 2.68Å; R200-L202 PolarHBondContact O-N 2.88Å; L202-Q204 VanDerWaalsContact C-N 3.3Å; L202-Q204 PolarHBondContact O-N 2.87Å; L202-R205 CarbonylContact O-C 3.56Å; L202-R205 WeakPolarHBondContact O-CA 3.28Å; L202-R205 PolarHBondContact O-N 3.37Å; L202-L206 PolarHBondContact O-N 3.04Å; L202-P514 HydrophobicContact CD2-CB 4.15Å; L202-P514 HydrophobicContact CD2-CG 4.06Å; L202-P530 HydrophobicContact CB-CB 3.77Å; L202-P530 HydrophobicContact CB-CG 4.18Å; L202-P530 HydrophobicContact CD2-CB 4.18Å; L202-P530 HydrophobicContact CD2-CG 3.78Å; L202-P530 HydrophobicContact CG-CB 4.22Å; L202-P530 HydrophobicContact CG-CG 4.37Å; L202-P530 VanDerWaalsContact O-CB 3.23Å; L202-P530 WeakPolarHBondContact O-CB 3.23Å
203	V	94.4	Very high	92.6	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-54.9	-45.3	174.2	174.6	0	0	0	0	111.8	A199 R200 R205 L206 Y466 F472 L484 V493 Q494	A199-V203 PolarHBondContact O-N 3.09Å; R200-V203 PolarHBondContact O-N 3.44Å; R200-V203 VanDerWaalsContact O-N 3.15Å; V203-R205 PolarHBondContact O-N 3.4Å; V203-R205 VanDerWaalsContact O-N 3.14Å; V203-L206 HydrophobicContact CG1-CD1 4.4Å; V203-L206 WeakPolarHBondContact O-CB 3.41Å; V203-L206 WeakPolarHBondContact O-CG 3.48Å; V203-L206 PolarHBondContact O-N 2.99Å; V203-Y466 HydrophobicContact CG2-CD1 3.9Å; V203-Y466 HydrophobicContact CG2-CE1 3.51Å; V203-F472 HydrophobicContact CG2-CD2 3.88Å; V203-F472 HydrophobicContact CG2-CE2 3.72Å; V203-F472 HydrophobicContact CG2-CG 4.38Å; V203-F472 HydrophobicContact CG2-CZ 4.11Å; V203-L484 HydrophobicContact CG1-CB 4.38Å; V203-L484 HydrophobicContact CG1-CD2 4.04Å; V203-V493 HydrophobicContact CG1-CG2 3.81Å; V203-Q494 HydrophobicContact CG1-CB 4.06Å; V203-Q494 PolarHBondContact O-NE2 3.46Å
204	Q	94.3	Very high	93.2	Very high	46 Å²	46	51.1 Å²	51.1	22%	0.215	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-13.1	176.3	-69.2	-178.3	-87.3	0	0	113.6	R200 L202 V493 Q494 P535 T536	R200-Q204 HydrophobicContact CG-CG 4.14Å; R200-Q204 WeakPolarHBondContact O-CB 3.22Å; R200-Q204 VanDerWaalsContact O-CG 3.32Å; R200-Q204 WeakPolarHBondContact O-CG 3.46Å; R200-Q204 PolarHBondContact O-N 3.44Å; L202-Q204 VanDerWaalsContact C-N 3.3Å; L202-Q204 PolarHBondContact O-N 2.87Å; Q204-V493 WeakPolarHBondContact CG-O 3.49Å; Q204-Q494 PolarHBondContact O-NE2 3Å; Q204-P535 HydrophobicContact CB-CB 4.04Å; Q204-P535 CarbonylContact O-C 3.52Å; Q204-P535 WeakPolarHBondContact O-CA 3.28Å; Q204-T536 HydrophobicContact CB-CG2 4.12Å; Q204-T536 HydrophobicContact CG-CG2 4.32Å; Q204-T536 WeakPolarHBondContact O-CB 3.42Å; Q204-T536 PolarHBondContact O-N 3.19Å
205	R	95.4	Very high	93.7	Very high	65 Å²	65	46.1 Å²	46.1	25%	0.245	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	7.7	179.6	-67.9	173.3	64.5	-95.9	-14.2	113.1	G201 L202 V203 E207 P530 T531 A532 E533	G201-R205 VanDerWaalsContact O-CD 3.25Å; G201-R205 WeakPolarHBondContact O-CD 3.29Å; G201-R205 WeakPolarHBondContact O-CG 3.29Å; L202-R205 CarbonylContact O-C 3.56Å; L202-R205 WeakPolarHBondContact O-CA 3.28Å; L202-R205 PolarHBondContact O-N 3.37Å; V203-R205 PolarHBondContact O-N 3.4Å; V203-R205 VanDerWaalsContact O-N 3.14Å; R205-E207 PolarHBondContact O-N 2.64Å; R205-P530 HydrophobicContact CB-CB 4.38Å; R205-P530 PolarHBondContact NH1-O 3.45Å; R205-P530 PolarHBondContact NH2-O 2.7Å; R205-P530 CarbonylContact O-C 3.59Å; R205-P530 VanDerWaalsContact O-CA 3.25Å; R205-P530 WeakPolarHBondContact O-CA 3.28Å; R205-T531 PolarHBondContact NH2-O 3.37Å; R205-T531 PolarHBondContact O-N 2.89Å; R205-A532 WeakPolarHBondContact CG-O 3.39Å; R205-A532 PolarHBondContact NE-O 3.16Å; R205-A532 PolarHBondContact NH2-O 3.31Å; R205-A532 WeakPolarHBondContact O-CB 3.47Å; R205-A532 PolarHBondContact O-N 2.88Å; R205-E533 PolarHBondContact NE-O 2.89Å
206	L	96.8	Very high	94	Very high	8 Å²	8	46 Å²	46	4%	0.042	23%	0.226	C	C	.	.			trans	-58.7	131.8	175.4	-73.4	172.4	0	0	0	111.5	L202 V203 L484 Q494 M496 M516 A529 P530	L202-L206 PolarHBondContact O-N 3.04Å; V203-L206 HydrophobicContact CG1-CD1 4.4Å; V203-L206 WeakPolarHBondContact O-CB 3.41Å; V203-L206 WeakPolarHBondContact O-CG 3.48Å; V203-L206 PolarHBondContact O-N 2.99Å; L206-L484 HydrophobicContact CD1-CD2 4.18Å; L206-Q494 PolarHBondContact O-NE2 2.81Å; L206-M496 HydrophobicContact CB-CE 4.42Å; L206-M496 HydrophobicContact CB-SD 3.69Å; L206-M496 HydrophobicContact CD1-CE 4.46Å; L206-M516 HydrophobicContact CD1-CE 4.5Å; L206-A529 WeakPolarHBondContact CA-O 3.47Å; L206-P530 HydrophobicContact CD2-CB 4.49Å
207	E	96.1	Very high	94.1	Very high	92 Å²	92	46 Å²	46	43%	0.43	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	150.4	-175.5	174.9	170.3	-140	0	0	110.4	R205 Q209 W528 A529 T531 A532	R205-E207 PolarHBondContact O-N 2.64Å; E207-Q209 PolarHBondContact O-N 3.1Å; E207-Q209 PolarHBondContact O-NE2 2.68Å; E207-W528 WeakPolarHBondContact O-CA 3.32Å; E207-A529 PolarHBondContact N-O 3.34Å; E207-A529 PolarHBondContact O-N 2.88Å; E207-T531 PolarHBondContact OE2-OG1 2.81Å; E207-A532 HydrophobicContact CB-CB 4.09Å; E207-A532 VanDerWaalsContact OE2-CA 3.22Å; E207-A532 WeakPolarHBondContact OE2-CA 3.17Å; E207-A532 PolarHBondContact OE2-N 3.25Å; E207-A532 VanDerWaalsContact OE2-N 3.12Å
208	L	96	Very high	94.2	Very high	64 Å²	64	46.3 Å²	46.3	34%	0.335	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	110.7	178.3	179.8	65.5	0	0	0	110.7	G210 K526 W528	L208-G210 WeakPolarHBondContact CD1-O 3.41Å; L208-K526 HydrophobicContact CD1-CB 3.81Å; L208-W528 HydrophobicContact CB-CE3 4.14Å; L208-W528 HydrophobicContact CB-CH2 3.95Å; L208-W528 HydrophobicContact CB-CZ3 3.76Å; L208-W528 HydrophobicContact CD1-CH2 4.38Å; L208-W528 HydrophobicContact CD1-CZ2 4.13Å
209	Q	96	Very high	94.4	Very high	62 Å²	62	45.8 Å²	45.8	29%	0.29	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-32.6	178.6	-59.2	-47	-78.4	0	0	112.7	E207 R248 L527 A529 T531	E207-Q209 PolarHBondContact O-N 3.1Å; E207-Q209 PolarHBondContact O-NE2 2.68Å; Q209-R248 VanDerWaalsContact O-CZ 3.26Å; Q209-R248 PolarHBondContact O-NH1 3.02Å; Q209-R248 VanDerWaalsContact O-NH1 3.09Å; Q209-R248 PolarHBondContact O-NH2 3.49Å; Q209-L527 PolarHBondContact N-O 2.64Å; Q209-A529 HydrophobicContact CG-CB 3.45Å; Q209-A529 VanDerWaalsContact CG-CB 3.45Å; Q209-T531 PolarHBondContact NE2-OG1 2.65Å; Q209-T531 VanDerWaalsContact OE1-CG2 3.25Å; Q209-T531 PolarHBondContact OE1-OG1 2.8Å
210	G	94.8	Very high	94.4	Very high	11 Å²	11	47.3 Å²	47.3	11%	0.113	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.2	179.5	-171.9	0	0	0	0	0	113.4	L208 L527	L208-G210 WeakPolarHBondContact CD1-O 3.41Å; G210-L527 PolarHBondContact O-N 2.88Å
211	R	95.9	Very high	94.6	Very high	89 Å²	89	45.7 Å²	45.7	34%	0.336	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	153.1	-178.4	-63.3	172.3	-178.2	-116.1	4.7	109.9	E213 D524 I525 K526	R211-E213 HydrophobicContact CB-CG 4.1Å; R211-E213 VanDerWaalsContact CB-OE1 3.28Å; R211-E213 WeakPolarHBondContact CB-OE1 3.28Å; R211-E213 VanDerWaalsContact CD-OE1 3.24Å; R211-E213 WeakPolarHBondContact CD-OE1 3.39Å; R211-D524 HydrophobicContact CB-CB 4.49Å; R211-D524 WeakPolarHBondContact CD-OD2 3.28Å; R211-D524 VanDerWaalsContact CG-OD2 3.28Å; R211-D524 WeakPolarHBondContact CG-OD2 3.24Å; R211-D524 IonicContact CZ-OD2 3.98Å; R211-D524 IonicContact NE-OD2 3.47Å; R211-D524 IonicContact NH1-OD1 3.24Å; R211-D524 IonicContact NH1-OD2 2.87Å; R211-D524 PolarHBondContact NH1-OD2 3.49Å; R211-I525 CarbonylContact C-O 3.35Å; R211-I525 VanDerWaalsContact CA-O 3.24Å; R211-I525 WeakPolarHBondContact CA-O 3.31Å; R211-K526 HydrophobicContact CG-CG 4.46Å
212	L	97	Very high	94.9	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	115.4	168.4	-51.9	176.6	0	0	0	107.3	L231 W243 W245 R248 D524 I525 L527	L212-L231 HydrophobicContact CD1-CD2 3.94Å; L212-W243 HydrophobicContact CB-CD2 4.11Å; L212-W243 HydrophobicContact CB-CE3 3.83Å; L212-W243 HydrophobicContact CB-CH2 3.63Å; L212-W243 HydrophobicContact CB-CZ2 3.94Å; L212-W243 HydrophobicContact CB-CZ3 3.6Å; L212-W243 HydrophobicContact CD1-CB 4.26Å; L212-W243 HydrophobicContact CD1-CD2 3.89Å; L212-W243 HydrophobicContact CD1-CE3 4.13Å; L212-W243 HydrophobicContact CD1-CG 3.98Å; L212-W243 HydrophobicContact CD2-CE3 4.1Å; L212-W243 HydrophobicContact CD2-CZ3 4.38Å; L212-W243 HydrophobicContact CG-CD2 4.46Å; L212-W243 HydrophobicContact CG-CE3 4.26Å; L212-W243 HydrophobicContact CG-CZ3 4.46Å; L212-W245 HydrophobicContact CD1-CB 4.28Å; L212-R248 HydrophobicContact CD2-CB 3.63Å; L212-R248 HydrophobicContact CD2-CG 3.95Å; L212-D524 WeakPolarHBondContact O-CA 3.15Å; L212-I525 HydrophobicContact CB-CB 4.03Å; L212-I525 HydrophobicContact CB-CD1 4.31Å; L212-I525 HydrophobicContact CB-CG1 4.48Å; L212-I525 HydrophobicContact CD1-CB 4.29Å; L212-I525 HydrophobicContact CD1-CD1 4.3Å; L212-I525 HydrophobicContact CD1-CG2 4.48Å; L212-I525 HydrophobicContact CG-CB 4.41Å; L212-I525 PolarHBondContact N-O 3.04Å; L212-I525 PolarHBondContact O-N 2.82Å; L212-L527 HydrophobicContact CD1-CD1 4.19Å; L212-L527 HydrophobicContact CD1-CD2 4.23Å; L212-L527 HydrophobicContact CD1-CG 4.39Å; L212-L527 HydrophobicContact CD2-CD1 3.93Å; L212-L527 HydrophobicContact CG-CD1 3.98Å; L212-L527 HydrophobicContact CG-CG 4.27Å
213	E	95.3	Very high	95.1	Very high	117 Å²	117	44.3 Å²	44.3	55%	0.547	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	105.9	-167.9	-70.1	170.2	-158.6	0	0	109.7	R211 D524	R211-E213 HydrophobicContact CB-CG 4.1Å; R211-E213 VanDerWaalsContact CB-OE1 3.28Å; R211-E213 WeakPolarHBondContact CB-OE1 3.28Å; R211-E213 VanDerWaalsContact CD-OE1 3.24Å; R211-E213 WeakPolarHBondContact CD-OE1 3.39Å; E213-D524 HydrophobicContact CG-CB 3.76Å
214	R	95.8	Very high	95.3	Very high	159 Å²	159	44.7 Å²	44.7	60%	0.6	22%	0.216	S	C	*	.			trans	-152.2	-38.9	174.6	-74	-62	163.7	174.5	-5	113.3	V241 W243 A250	R214-V241 HydrophobicContact CB-CG2 4.48Å; R214-W243 HydrophobicContact CB-CH2 3.56Å; R214-W243 HydrophobicContact CB-CZ2 4.04Å; R214-W243 HydrophobicContact CB-CZ3 4.45Å; R214-W243 HydrophobicContact CG-CH2 3.4Å; R214-W243 VanDerWaalsContact CG-CH2 3.4Å; R214-W243 HydrophobicContact CG-CZ2 4.25Å; R214-W243 HydrophobicContact CG-CZ3 3.81Å; R214-A250 HydrophobicContact CG-CB 3.9Å
215	H	95.4	Very high	95.3	Very high	5 Å²	5	42.6 Å²	42.6	2%	0.023	21%	0.206	C	C	.	.			trans	-62.8	155.4	178.2	-77.3	-64.5	0	0	0	111.7	V219 S233 S235 D237 H523	H215-V219 HydrophobicContact CB-CG2 3.78Å; H215-S233 PolarHBondContact CD2-OG 3.09Å; H215-S233 PolarHBondContact NE2-OG 2.68Å; H215-S235 WeakPolarHBondContact ND1-CB 3.42Å; H215-D237 VanDerWaalsContact CA-OD2 3.23Å; H215-D237 WeakPolarHBondContact CA-OD2 3.24Å; H215-D237 WeakPolarHBondContact CB-OD2 3.48Å; H215-D237 IonicContact CE1-OD1 3.52Å; H215-D237 IonicContact CG-OD2 3.83Å; H215-D237 IonicContact ND1-OD1 2.66Å; H215-D237 PolarHBondContact ND1-OD1 3.38Å; H215-D237 IonicContact ND1-OD2 3.57Å; H215-D237 PolarHBondContact ND1-OD2 3.09Å; H215-H523 PolarHBondContact O-CD2 2.7Å
216	T	94.6	Very high	95.2	Very high	113 Å²	113	42.4 Å²	42.4	69%	0.693	21%	0.213	S	C	*	.	S	Bend	trans	-116.4	-14.3	-178.4	55.9	0	0	0	0	113.4	D237	T216-D237 PolarHBondContact N-OD2 3.09Å; T216-D237 VanDerWaalsContact OG1-CB 3.23Å; T216-D237 WeakPolarHBondContact OG1-CB 3.46Å; T216-D237 PolarHBondContact OG1-OD2 3.36Å
217	G	91.4	Very high	95	Very high	19 Å²	19	44.9 Å²	44.9	20%	0.196	23%	0.231	C	C	.	.	S	Bend	trans	-114.4	-174.2	169.1	0	0	0	0	0	112.4	S235 H523	G217-S235 VanDerWaalsContact C-OG 3.25Å; G217-S235 PolarHBondContact O-OG 2.87Å; G217-H523 WeakPolarHBondContact O-CA 3.35Å; G217-H523 WeakPolarHBondContact O-CB 3.3Å
218	C	91.6	Very high	94.9	Very high	13 Å²	13	40.6 Å²	40.6	9%	0.088	21%	0.211	C	C	.	.			trans	-59.7	144.2	177.3	-43.1	0	0	0	0	110.7	S235 D236 D522	C218-S235 WeakPolarHBondContact O-CA 3.22Å; C218-S235 VanDerWaalsContact O-CB 3.23Å; C218-S235 WeakPolarHBondContact O-CB 3.38Å; C218-S235 PolarHBondContact O-OG 3.05Å; C218-D236 WeakPolarHBondContact CB-OD2 3.29Å; C218-D236 PolarHBondContact O-N 2.82Å; C218-D236 VanDerWaalsContact O-N 3.09Å; C218-D236 PolarHBondContact SG-OD2 3.31Å; C218-D522 WeakPolarHBondContact CA-O 3.24Å
219	V	94.1	Very high	94.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	104.6	176.5	-177.3	0	0	0	0	109.9	H215 L222 S519 D522 I525	H215-V219 HydrophobicContact CB-CG2 3.78Å; V219-L222 HydrophobicContact CG1-CD2 4.12Å; V219-S519 WeakPolarHBondContact O-CB 3.38Å; V219-S519 PolarHBondContact O-OG 2.83Å; V219-D522 PolarHBondContact N-O 2.65Å; V219-I525 HydrophobicContact CG1-CG1 4.19Å
220	N	92.4	Very high	94.9	Very high	36 Å²	36	42 Å²	42	19%	0.193	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-22.1	-171.2	-54.1	-51.7	0	0	0	113.5	G234 D236 V262 C506	N220-G234 PolarHBondContact N-O 3.11Å; N220-G234 VanDerWaalsContact N-O 3.09Å; N220-D236 PolarHBondContact ND2-OD1 3.09Å; N220-V262 WeakPolarHBondContact CB-O 3.4Å; N220-V262 PolarHBondContact ND2-O 2.8Å; N220-C506 WeakPolarHBondContact O-CB 3.18Å; N220-C506 PolarHBondContact O-SG 2.98Å
221	T	94.7	Very high	95	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	139.1	-173.1	-176.4	0	0	0	0	112.1	S233 G234 V262 Q264 A265	T221-S233 VanDerWaalsContact O-CA 3.29Å; T221-S233 WeakPolarHBondContact O-CA 3.49Å; T221-G234 VanDerWaalsContact CG2-N 3.3Å; T221-G234 PolarHBondContact O-N 2.81Å; T221-V262 HydrophobicContact CG2-CG1 4.48Å; T221-Q264 WeakPolarHBondContact OG1-CA 3.21Å; T221-A265 HydrophobicContact CG2-CB 3.88Å; T221-A265 PolarHBondContact OG1-N 2.97Å; T221-A265 VanDerWaalsContact OG1-N 3.08Å; T221-A265 PolarHBondContact OG1-O 2.99Å
222	L	97.4	Very high	95.1	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.031	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	134	172.4	-62.7	175.8	0	0	0	107.3	V219 L231 A232 C506 E508 A517 I525	V219-L222 HydrophobicContact CG1-CD2 4.12Å; L222-L231 HydrophobicContact CB-CD1 4.34Å; L222-L231 HydrophobicContact CD2-CD2 4.49Å; L222-A232 WeakPolarHBondContact CA-O 3.31Å; L222-C506 HydrophobicContact CD1-CB 4.49Å; L222-C506 PolarHBondContact N-SG 3.36Å; L222-E508 HydrophobicContact CB-CB 3.98Å; L222-A517 HydrophobicContact CD1-CB 4.02Å; L222-I525 HydrophobicContact CD1-CG2 3.9Å; L222-I525 HydrophobicContact CD2-CB 4.33Å; L222-I525 HydrophobicContact CD2-CD1 3.78Å; L222-I525 HydrophobicContact CD2-CG1 3.91Å; L222-I525 HydrophobicContact CD2-CG2 3.5Å; L222-I525 HydrophobicContact CG-CG2 4.38Å
223	H	97.8	Very high	95.2	Very high	23 Å²	23	37.1 Å²	37.1	11%	0.106	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	120.5	175.7	-165.9	-95	0	0	0	110.5	A232 A265 K266 F267 E508	H223-A232 PolarHBondContact N-O 2.89Å; H223-A232 PolarHBondContact O-N 3.48Å; H223-A265 WeakPolarHBondContact CB-O 3.48Å; H223-K266 HydrophobicContact CB-CG 4.2Å; H223-K266 VanDerWaalsContact CD2-CG 3.44Å; H223-K266 WeakPolarHBondContact CD2-CG 3.38Å; H223-F267 PolarHBondContact ND1-N 2.97Å; H223-E508 IonicContact CD2-OE1 2.66Å; H223-E508 PolarHBondContact CD2-OE1 3.22Å; H223-E508 VanDerWaalsContact CD2-OE1 3.24Å; H223-E508 IonicContact CG-OE1 2.97Å
224	F	97.6	Very high	95.3	Very high	9 Å²	9	31.5 Å²	31.5	4%	0.039	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	153.3	170.5	-72.4	-78.8	0	0	0	110.4	R230 L231 W245 E508 H510 P511 A517	F224-R230 CarbonylContact C-O 3.53Å; F224-R230 WeakPolarHBondContact CA-O 3.43Å; F224-L231 HydrophobicContact CD1-CB 4.16Å; F224-L231 HydrophobicContact CD1-CD1 4.09Å; F224-L231 HydrophobicContact CD2-CD1 4.24Å; F224-L231 HydrophobicContact CE1-CB 4.07Å; F224-L231 HydrophobicContact CE1-CD1 4.05Å; F224-L231 HydrophobicContact CE1-CG 4.46Å; F224-L231 HydrophobicContact CE2-CD1 4.22Å; F224-L231 HydrophobicContact CG-CD1 4.18Å; F224-L231 HydrophobicContact CZ-CD1 4.12Å; F224-W245 AromaticContact CD1-NE1 3.99Å; F224-W245 AromaticContact CE1-CD1 3.66Å; F224-W245 HydrophobicContact CE1-CD2 4.15Å; F224-W245 AromaticContact CE1-CE2 3.99Å; F224-W245 AromaticContact CE1-CG 3.97Å; F224-W245 HydrophobicContact CE1-CG 3.97Å; F224-W245 AromaticContact CE1-NE1 3.63Å; F224-E508 HydrophobicContact CD2-CB 4.47Å; F224-E508 HydrophobicContact CD2-CG 3.79Å; F224-E508 HydrophobicContact CE2-CG 4.3Å; F224-E508 WeakPolarHBondContact CE2-O 3.29Å; F224-H510 AromaticContact CD1-CD2 3.8Å; F224-H510 HydrophobicContact CD2-CB 4.34Å; F224-H510 AromaticContact CE1-CD2 3.66Å; F224-H510 HydrophobicContact CE2-CB 3.96Å; F224-H510 HydrophobicContact CZ-CB 4.08Å; F224-P511 HydrophobicContact CB-CG 4.27Å; F224-A517 HydrophobicContact CE2-CB 4.28Å; F224-A517 HydrophobicContact CZ-CB 4.12Å
225	N	95.4	Very high	95.3	Very high	1 Å²	1	24 Å²	24	1%	0.005	14%	0.142	C	C	.	.			trans	-70.2	161.7	164.7	66.1	-13.1	0	0	0	110.4	S227 G228 T229 R230 F267 D273	N225-S227 PolarHBondContact ND2-OG 3.24Å; N225-S227 PolarHBondContact O-N 3.45Å; N225-S227 PolarHBondContact OD1-OG 3.34Å; N225-G228 PolarHBondContact O-N 2.84Å; N225-G228 VanDerWaalsContact OD1-CA 3.3Å; N225-G228 WeakPolarHBondContact OD1-CA 3.31Å; N225-G228 PolarHBondContact OD1-N 2.85Å; N225-T229 PolarHBondContact ND2-OG1 3.26Å; N225-T229 PolarHBondContact OD1-N 3.08Å; N225-R230 HydrophobicContact CB-CB 4.27Å; N225-R230 PolarHBondContact N-O 3.31Å; N225-R230 PolarHBondContact ND2-N 2.82Å; N225-R230 PolarHBondContact OD1-N 3.44Å; N225-R230 PolarHBondContact OD1-O 3Å; N225-F267 VanDerWaalsContact CA-CD2 3.45Å; N225-F267 HydrophobicContact CB-CB 4.48Å; N225-F267 HydrophobicContact CB-CD1 4.29Å; N225-F267 HydrophobicContact CB-CD2 3.64Å; N225-F267 HydrophobicContact CB-CE1 4.42Å; N225-F267 HydrophobicContact CB-CE2 3.77Å; N225-F267 HydrophobicContact CB-CG 3.89Å; N225-F267 HydrophobicContact CB-CZ 4.17Å; N225-D273 WeakPolarHBondContact CB-OD1 3.48Å; N225-D273 PolarHBondContact ND2-OD2 2.91Å
226	P	92.8	Very high	95.2	Very high	62 Å²	62	25.2 Å²	25.2	40%	0.403	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-20.9	-177.7	-25.6	34.9	0	0	0	114.8	H512	P226-H512 PolarHBondContact O-NE2 3.18Å
227	S	93.1	Very high	95.3	Very high	60 Å²	60	21.4 Å²	21.4	42%	0.42	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-10.8	175	68.5	0	0	0	0	114.2	N225 T229 H512	N225-S227 PolarHBondContact ND2-OG 3.24Å; N225-S227 PolarHBondContact O-N 3.45Å; N225-S227 PolarHBondContact OD1-OG 3.34Å; S227-T229 PolarHBondContact O-N 3.06Å; S227-T229 PolarHBondContact OG-OG1 2.95Å; S227-H512 PolarHBondContact O-CD2 2.89Å
228	G	94.6	Very high	95.5	Very high	1 Å²	1	23 Å²	23	1%	0.01	13%	0.128	C	C	.	.	S	Bend	trans	75.8	-9.3	-173.7	0	0	0	0	0	115.4	N225 R230 W245 H510	N225-G228 PolarHBondContact O-N 2.84Å; N225-G228 VanDerWaalsContact OD1-CA 3.3Å; N225-G228 WeakPolarHBondContact OD1-CA 3.31Å; N225-G228 PolarHBondContact OD1-N 2.85Å; G228-R230 VanDerWaalsContact C-N 3.3Å; G228-R230 PolarHBondContact O-N 2.82Å; G228-W245 PolarHBondContact O-NE1 2.81Å; G228-H510 VanDerWaalsContact CA-NE2 3.35Å; G228-H510 WeakPolarHBondContact CA-NE2 3.4Å; G228-H510 PolarHBondContact O-NE2 3.36Å
229	T	94.8	Very high	95.8	Very high	83 Å²	83	27.9 Å²	27.9	51%	0.509	15%	0.145	S	C	.	.	S	Bend	trans	-69	-21.5	-176.1	56	0	0	0	0	114.9	N225 S227	N225-T229 PolarHBondContact ND2-OG1 3.26Å; N225-T229 PolarHBondContact OD1-N 3.08Å; S227-T229 PolarHBondContact O-N 3.06Å; S227-T229 PolarHBondContact OG-OG1 2.95Å
230	R	96	Very high	96	Very high	72 Å²	72	27.9 Å²	27.9	27%	0.272	15%	0.145	S	C	.	.			trans	-130.2	149.4	-177.9	-59.5	171.7	-178.7	-92.2	-13.5	111.1	F224 N225 G228 I242 W243 E251 F267 D273	F224-R230 CarbonylContact C-O 3.53Å; F224-R230 WeakPolarHBondContact CA-O 3.43Å; N225-R230 HydrophobicContact CB-CB 4.27Å; N225-R230 PolarHBondContact N-O 3.31Å; N225-R230 PolarHBondContact ND2-N 2.82Å; N225-R230 PolarHBondContact OD1-N 3.44Å; N225-R230 PolarHBondContact OD1-O 3Å; G228-R230 VanDerWaalsContact C-N 3.3Å; G228-R230 PolarHBondContact O-N 2.82Å; R230-I242 HydrophobicContact CB-CG2 4.41Å; R230-W243 VanDerWaalsContact CA-O 3.31Å; R230-W243 WeakPolarHBondContact CA-O 3.35Å; R230-E251 IonicContact CZ-OE2 2.71Å; R230-E251 VanDerWaalsContact CZ-OE2 3.29Å; R230-E251 IonicContact NH1-OE2 3.31Å; R230-E251 PolarHBondContact NH1-OE2 3.04Å; R230-E251 IonicContact NH2-OE2 3.37Å; R230-E251 PolarHBondContact NH2-OE2 3.47Å; R230-F267 HydrophobicContact CB-CE2 4.5Å; R230-F267 HydrophobicContact CB-CZ 4.12Å; R230-D273 IonicContact NE-OD2 3.02Å
231	L	97.9	Very high	96.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	134.8	170.5	179	63.4	0	0	0	109.1	L212 L222 F224 I242 W243 W245 A517 I525 L527	L212-L231 HydrophobicContact CD1-CD2 3.94Å; L222-L231 HydrophobicContact CB-CD1 4.34Å; L222-L231 HydrophobicContact CD2-CD2 4.49Å; F224-L231 HydrophobicContact CD1-CB 4.16Å; F224-L231 HydrophobicContact CD1-CD1 4.09Å; F224-L231 HydrophobicContact CD2-CD1 4.24Å; F224-L231 HydrophobicContact CE1-CB 4.07Å; F224-L231 HydrophobicContact CE1-CD1 4.05Å; F224-L231 HydrophobicContact CE1-CG 4.46Å; F224-L231 HydrophobicContact CE2-CD1 4.22Å; F224-L231 HydrophobicContact CG-CD1 4.18Å; F224-L231 HydrophobicContact CZ-CD1 4.12Å; L231-I242 WeakPolarHBondContact O-CA 3.36Å; L231-W243 HydrophobicContact CB-CB 4.37Å; L231-W243 PolarHBondContact N-O 2.86Å; L231-W243 PolarHBondContact O-N 3.36Å; L231-W245 HydrophobicContact CB-CB 4.19Å; L231-W245 HydrophobicContact CB-CG 4.49Å; L231-W245 HydrophobicContact CD2-CB 4.47Å; L231-A517 HydrophobicContact CD1-CB 4.44Å; L231-A517 HydrophobicContact CD2-CB 3.83Å; L231-I525 HydrophobicContact CD2-CG2 4.2Å; L231-L527 HydrophobicContact CD2-CD2 4.42Å
232	A	97.9	Very high	96.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	140.3	167.7	0	0	0	0	0	110	L222 H223 V241 I242 F267 L276	L222-A232 WeakPolarHBondContact CA-O 3.31Å; H223-A232 PolarHBondContact N-O 2.89Å; H223-A232 PolarHBondContact O-N 3.48Å; A232-V241 WeakPolarHBondContact CA-O 3.44Å; A232-I242 HydrophobicContact CB-CD1 3.72Å; A232-F267 HydrophobicContact CB-CD2 4.21Å; A232-F267 HydrophobicContact CB-CE2 3.57Å; A232-F267 HydrophobicContact CB-CZ 4.01Å; A232-L276 HydrophobicContact CB-CD1 4.01Å
233	S	98.1	Very high	96.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	154.3	171.3	66	0	0	0	0	112.1	H215 T221 V240 V241 W243 I525	H215-S233 PolarHBondContact CD2-OG 3.09Å; H215-S233 PolarHBondContact NE2-OG 2.68Å; T221-S233 VanDerWaalsContact O-CA 3.29Å; T221-S233 WeakPolarHBondContact O-CA 3.49Å; S233-V240 CarbonylContact O-C 3.58Å; S233-V240 VanDerWaalsContact O-CA 3.23Å; S233-V240 WeakPolarHBondContact O-CA 3.42Å; S233-V240 WeakPolarHBondContact O-CG1 3.47Å; S233-V241 PolarHBondContact N-O 2.91Å; S233-V241 PolarHBondContact O-N 2.94Å; S233-W243 PolarHBondContact OG-NE1 3.31Å; S233-I525 VanDerWaalsContact CB-CD1 3.41Å
234	G	96.9	Very high	96.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	149.8	178.2	0	0	0	0	0	111.3	N220 T221	N220-G234 PolarHBondContact N-O 3.11Å; N220-G234 VanDerWaalsContact N-O 3.09Å; T221-G234 VanDerWaalsContact CG2-N 3.3Å; T221-G234 PolarHBondContact O-N 2.81Å
235	S	96.1	Very high	96.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	168.4	-162.2	177.7	0	0	0	0	114.1	H215 G217 C218 D237 L238 R239 V262	H215-S235 WeakPolarHBondContact ND1-CB 3.42Å; G217-S235 VanDerWaalsContact C-OG 3.25Å; G217-S235 PolarHBondContact O-OG 2.87Å; C218-S235 WeakPolarHBondContact O-CA 3.22Å; C218-S235 VanDerWaalsContact O-CB 3.23Å; C218-S235 WeakPolarHBondContact O-CB 3.38Å; C218-S235 PolarHBondContact O-OG 3.05Å; S235-D237 WeakPolarHBondContact CB-OD1 3.39Å; S235-D237 PolarHBondContact O-N 3.39Å; S235-D237 PolarHBondContact OG-N 2.9Å; S235-L238 PolarHBondContact O-N 2.71Å; S235-R239 PolarHBondContact N-O 2.75Å; S235-V262 PolarHBondContact O-N 3.17Å; S235-V262 VanDerWaalsContact O-N 3.14Å
236	D	94.7	Very high	96.2	Very high	31 Å²	31	32.2 Å²	32.2	17%	0.166	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-23.9	163.7	-67.3	-1.5	0	0	0	113.3	C218 N220 L238 N261	C218-D236 WeakPolarHBondContact CB-OD2 3.29Å; C218-D236 PolarHBondContact O-N 2.82Å; C218-D236 VanDerWaalsContact O-N 3.09Å; C218-D236 PolarHBondContact SG-OD2 3.31Å; N220-D236 PolarHBondContact ND2-OD1 3.09Å; D236-L238 PolarHBondContact O-N 3.08Å; D236-L238 VanDerWaalsContact O-N 3.16Å; D236-N261 WeakPolarHBondContact OD1-CB 2.88Å; D236-N261 PolarHBondContact OD1-ND2 2.76Å; D236-N261 PolarHBondContact OD2-ND2 2.9Å
237	D	95.8	Very high	96.3	Very high	33 Å²	33	34.3 Å²	34.3	18%	0.176	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	7.3	176.6	68.8	23.1	0	0	0	115.1	H215 T216 S235 R239	H215-D237 VanDerWaalsContact CA-OD2 3.23Å; H215-D237 WeakPolarHBondContact CA-OD2 3.24Å; H215-D237 WeakPolarHBondContact CB-OD2 3.48Å; H215-D237 IonicContact CE1-OD1 3.52Å; H215-D237 IonicContact CG-OD2 3.83Å; H215-D237 IonicContact ND1-OD1 2.66Å; H215-D237 PolarHBondContact ND1-OD1 3.38Å; H215-D237 IonicContact ND1-OD2 3.57Å; H215-D237 PolarHBondContact ND1-OD2 3.09Å; T216-D237 PolarHBondContact N-OD2 3.09Å; T216-D237 VanDerWaalsContact OG1-CB 3.23Å; T216-D237 WeakPolarHBondContact OG1-CB 3.46Å; T216-D237 PolarHBondContact OG1-OD2 3.36Å; S235-D237 WeakPolarHBondContact CB-OD1 3.39Å; S235-D237 PolarHBondContact O-N 3.39Å; S235-D237 PolarHBondContact OG-N 2.9Å; D237-R239 PolarHBondContact O-N 2.83Å; D237-R239 VanDerWaalsContact O-N 3.16Å; D237-R239 VanDerWaalsContact OD1-CB 3.32Å; D237-R239 WeakPolarHBondContact OD1-CB 3.48Å; D237-R239 PolarHBondContact OD1-N 3Å
238	L	96.4	Very high	96.5	Very high	52 Å²	52	37.5 Å²	37.5	27%	0.272	18%	0.183	S	C	.	.	S	Bend	trans	67.2	0.5	179.9	-45.1	-178.7	0	0	0	115	S235 D236 S256 S260	S235-L238 PolarHBondContact O-N 2.71Å; D236-L238 PolarHBondContact O-N 3.08Å; D236-L238 VanDerWaalsContact O-N 3.16Å; L238-S256 VanDerWaalsContact O-CB 3.27Å; L238-S256 WeakPolarHBondContact O-CB 3.39Å; L238-S256 PolarHBondContact O-N 3.06Å; L238-S256 VanDerWaalsContact O-N 3.12Å; L238-S256 PolarHBondContact O-OG 2.8Å; L238-S260 WeakPolarHBondContact CD2-O 3.29Å
239	R	96.9	Very high	96.5	Very high	117 Å²	117	43.1 Å²	43.1	44%	0.442	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	161	179	-57.2	-170.3	176.5	-164.7	-4.2	112.2	S235 D237 E253 F254	S235-R239 PolarHBondContact N-O 2.75Å; D237-R239 PolarHBondContact O-N 2.83Å; D237-R239 VanDerWaalsContact O-N 3.16Å; D237-R239 VanDerWaalsContact OD1-CB 3.32Å; D237-R239 WeakPolarHBondContact OD1-CB 3.48Å; D237-R239 PolarHBondContact OD1-N 3Å; R239-E253 WeakPolarHBondContact CD-OE1 3.44Å; R239-E253 IonicContact CZ-OE1 3.7Å; R239-E253 IonicContact NE-OE1 3.78Å; R239-E253 IonicContact NH1-OE1 3.24Å; R239-E253 PolarHBondContact NH1-OE1 3.08Å; R239-F254 WeakPolarHBondContact CA-O 3.34Å
240	V	97.9	Very high	96.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.9	166.1	166.9	0	0	0	0	108.6	S233 I242 F254 V262 A265 L276 M278	S233-V240 CarbonylContact O-C 3.58Å; S233-V240 VanDerWaalsContact O-CA 3.23Å; S233-V240 WeakPolarHBondContact O-CA 3.42Å; S233-V240 WeakPolarHBondContact O-CG1 3.47Å; V240-I242 HydrophobicContact CG1-CD1 4.14Å; V240-F254 HydrophobicContact CB-CD1 4.36Å; V240-F254 HydrophobicContact CB-CE1 3.8Å; V240-F254 HydrophobicContact CB-CE2 4.19Å; V240-F254 HydrophobicContact CB-CZ 3.7Å; V240-F254 HydrophobicContact CG1-CD1 4.41Å; V240-F254 HydrophobicContact CG1-CE1 3.51Å; V240-F254 HydrophobicContact CG1-CZ 3.57Å; V240-F254 PolarHBondContact N-O 2.91Å; V240-F254 WeakPolarHBondContact O-CD1 3.15Å; V240-F254 PolarHBondContact O-N 2.85Å; V240-V262 HydrophobicContact CG2-CG1 4.3Å; V240-A265 HydrophobicContact CG2-CB 4.14Å; V240-L276 HydrophobicContact CG1-CD2 3.65Å; V240-M278 HydrophobicContact CG2-SD 3.83Å
241	V	97.8	Very high	96.5	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.9	176.8	-174.4	0	0	0	0	109.4	R214 A232 S233 W243 A250 L252 E253	R214-V241 HydrophobicContact CB-CG2 4.48Å; A232-V241 WeakPolarHBondContact CA-O 3.44Å; S233-V241 PolarHBondContact N-O 2.91Å; S233-V241 PolarHBondContact O-N 2.94Å; V241-W243 HydrophobicContact CB-CZ2 4.1Å; V241-W243 HydrophobicContact CG1-CD2 3.8Å; V241-W243 HydrophobicContact CG1-CE3 4.39Å; V241-W243 HydrophobicContact CG1-CG 4.23Å; V241-W243 HydrophobicContact CG1-CH2 4.34Å; V241-W243 HydrophobicContact CG1-CZ2 3.71Å; V241-A250 HydrophobicContact CG1-CB 3.69Å; V241-L252 CarbonylContact C-O 3.6Å; V241-L252 WeakPolarHBondContact CA-O 3.45Å; V241-E253 HydrophobicContact CG2-CB 4.24Å; V241-E253 HydrophobicContact CG2-CG 4Å
242	I	97.6	Very high	96.4	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.015	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	127.2	171.5	-50.2	-57.2	0	0	0	108	R230 L231 A232 V240 E251 L252 F254 F267 L276 L290	R230-I242 HydrophobicContact CB-CG2 4.41Å; L231-I242 WeakPolarHBondContact O-CA 3.36Å; A232-I242 HydrophobicContact CB-CD1 3.72Å; V240-I242 HydrophobicContact CG1-CD1 4.14Å; I242-E251 PolarHBondContact O-N 3.11Å; I242-L252 HydrophobicContact CB-CB 4.25Å; I242-L252 HydrophobicContact CG1-CB 4.41Å; I242-L252 HydrophobicContact CG1-CD2 4.39Å; I242-L252 HydrophobicContact CG1-CG 4.42Å; I242-L252 PolarHBondContact N-O 3.48Å; I242-L252 PolarHBondContact O-N 3.21Å; I242-F254 HydrophobicContact CD1-CE1 4.5Å; I242-F254 HydrophobicContact CG1-CE1 4.32Å; I242-F267 HydrophobicContact CD1-CE1 4.39Å; I242-F267 HydrophobicContact CD1-CZ 4.02Å; I242-F267 HydrophobicContact CG2-CZ 4.09Å; I242-L276 HydrophobicContact CD1-CD1 4.38Å; I242-L276 HydrophobicContact CD1-CD2 4.34Å; I242-L290 HydrophobicContact CD1-CD1 4.4Å; I242-L290 HydrophobicContact CG1-CD1 4.35Å
243	W	97.6	Very high	96.3	Very high	3 Å²	3	43.2 Å²	43.2	1%	0.011	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	138.2	-173	-51.1	84.3	0	0	0	111.7	L212 R214 R230 L231 S233 V241 W245 R249 A250 I525	L212-W243 HydrophobicContact CB-CD2 4.11Å; L212-W243 HydrophobicContact CB-CE3 3.83Å; L212-W243 HydrophobicContact CB-CH2 3.63Å; L212-W243 HydrophobicContact CB-CZ2 3.94Å; L212-W243 HydrophobicContact CB-CZ3 3.6Å; L212-W243 HydrophobicContact CD1-CB 4.26Å; L212-W243 HydrophobicContact CD1-CD2 3.89Å; L212-W243 HydrophobicContact CD1-CE3 4.13Å; L212-W243 HydrophobicContact CD1-CG 3.98Å; L212-W243 HydrophobicContact CD2-CE3 4.1Å; L212-W243 HydrophobicContact CD2-CZ3 4.38Å; L212-W243 HydrophobicContact CG-CD2 4.46Å; L212-W243 HydrophobicContact CG-CE3 4.26Å; L212-W243 HydrophobicContact CG-CZ3 4.46Å; R214-W243 HydrophobicContact CB-CH2 3.56Å; R214-W243 HydrophobicContact CB-CZ2 4.04Å; R214-W243 HydrophobicContact CB-CZ3 4.45Å; R214-W243 HydrophobicContact CG-CH2 3.4Å; R214-W243 VanDerWaalsContact CG-CH2 3.4Å; R214-W243 HydrophobicContact CG-CZ2 4.25Å; R214-W243 HydrophobicContact CG-CZ3 3.81Å; R230-W243 VanDerWaalsContact CA-O 3.31Å; R230-W243 WeakPolarHBondContact CA-O 3.35Å; L231-W243 HydrophobicContact CB-CB 4.37Å; L231-W243 PolarHBondContact N-O 2.86Å; L231-W243 PolarHBondContact O-N 3.36Å; S233-W243 PolarHBondContact OG-NE1 3.31Å; V241-W243 HydrophobicContact CB-CZ2 4.1Å; V241-W243 HydrophobicContact CG1-CD2 3.8Å; V241-W243 HydrophobicContact CG1-CE3 4.39Å; V241-W243 HydrophobicContact CG1-CG 4.23Å; V241-W243 HydrophobicContact CG1-CH2 4.34Å; V241-W243 HydrophobicContact CG1-CZ2 3.71Å; W243-W245 PolarHBondContact O-N 2.89Å; W243-R249 CarbonylContact C-O 3.57Å; W243-R249 VanDerWaalsContact CA-O 3.32Å; W243-R249 WeakPolarHBondContact CA-O 3.47Å; W243-A250 HydrophobicContact CD2-CB 4.39Å; W243-A250 HydrophobicContact CE3-CB 3.78Å; W243-A250 HydrophobicContact CH2-CB 4.43Å; W243-A250 HydrophobicContact CZ3-CB 3.79Å; W243-I525 HydrophobicContact CZ2-CD1 3.94Å
244	D	96.3	Very high	96.2	Very high	35 Å²	35	44 Å²	44	19%	0.187	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	97.2	145.3	-177.9	-28.8	0	0	0	106	A246 I247 R248 R249 E251	D244-A246 VanDerWaalsContact C-N 3.25Å; D244-A246 PolarHBondContact O-N 2.69Å; D244-A246 WeakPolarHBondContact OD1-CB 3.38Å; D244-A246 PolarHBondContact OD1-N 3.26Å; D244-I247 HydrophobicContact CB-CG1 4.07Å; D244-I247 PolarHBondContact OD1-N 3.21Å; D244-R248 CarbonylContact O-C 3.5Å; D244-R248 WeakPolarHBondContact O-CA 3.48Å; D244-R248 PolarHBondContact O-N 2.84Å; D244-R249 PolarHBondContact N-O 2.97Å; D244-R249 PolarHBondContact O-N 2.82Å; D244-E251 HydrophobicContact CB-CG 4.04Å
245	W	96.2	Very high	96.2	Very high	60 Å²	60	48.8 Å²	48.8	23%	0.227	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-21.7	-176.2	66	-91	0	0	0	112.3	L212 F224 G228 L231 W243 R248 H510 L513 L527	L212-W245 HydrophobicContact CD1-CB 4.28Å; F224-W245 AromaticContact CD1-NE1 3.99Å; F224-W245 AromaticContact CE1-CD1 3.66Å; F224-W245 HydrophobicContact CE1-CD2 4.15Å; F224-W245 AromaticContact CE1-CE2 3.99Å; F224-W245 AromaticContact CE1-CG 3.97Å; F224-W245 HydrophobicContact CE1-CG 3.97Å; F224-W245 AromaticContact CE1-NE1 3.63Å; G228-W245 PolarHBondContact O-NE1 2.81Å; L231-W245 HydrophobicContact CB-CB 4.19Å; L231-W245 HydrophobicContact CB-CG 4.49Å; L231-W245 HydrophobicContact CD2-CB 4.47Å; W243-W245 PolarHBondContact O-N 2.89Å; W245-R248 PolarHBondContact O-N 2.89Å; W245-H510 AromaticContact CE2-CD2 3.86Å; W245-H510 AromaticContact CZ2-CD2 3.43Å; W245-H510 VanDerWaalsContact CZ2-CD2 3.43Å; W245-H510 WeakPolarHBondContact CZ2-CD2 3.26Å; W245-H510 AromaticContact CZ2-NE2 3.47Å; W245-H510 WeakPolarHBondContact CZ2-NE2 3.4Å; W245-L513 HydrophobicContact CH2-CD1 4.06Å; W245-L513 HydrophobicContact CZ2-CD1 4.13Å; W245-L527 HydrophobicContact CB-CD1 4.36Å; W245-L527 HydrophobicContact CE3-CD1 4.44Å; W245-L527 WeakPolarHBondContact O-CD1 3.21Å
246	A	94.6	Very high	96.3	Very high	64 Å²	64	48.8 Å²	48.8	53%	0.529	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-44.3	-175.9	0	0	0	0	0	111.1	D244	D244-A246 VanDerWaalsContact C-N 3.25Å; D244-A246 PolarHBondContact O-N 2.69Å; D244-A246 WeakPolarHBondContact OD1-CB 3.38Å; D244-A246 PolarHBondContact OD1-N 3.26Å
247	I	95.8	Very high	96.4	Very high	105 Å²	105	48.3 Å²	48.3	54%	0.538	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	6.6	170.6	68.5	172.4	0	0	0	113.6	D244 R249	D244-I247 HydrophobicContact CB-CG1 4.07Å; D244-I247 PolarHBondContact OD1-N 3.21Å; I247-R249 VanDerWaalsContact C-N 3.31Å; I247-R249 HydrophobicContact CD1-CB 4.06Å; I247-R249 HydrophobicContact CG1-CB 3.89Å; I247-R249 PolarHBondContact O-N 2.78Å
248	R	96.2	Very high	96.5	Very high	127 Å²	127	47 Å²	47	48%	0.479	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	33.1	176.5	-51.4	175.1	-163.8	-171.1	-3	114.2	Q209 L212 D244 W245	Q209-R248 VanDerWaalsContact O-CZ 3.26Å; Q209-R248 PolarHBondContact O-NH1 3.02Å; Q209-R248 VanDerWaalsContact O-NH1 3.09Å; Q209-R248 PolarHBondContact O-NH2 3.49Å; L212-R248 HydrophobicContact CD2-CB 3.63Å; L212-R248 HydrophobicContact CD2-CG 3.95Å; D244-R248 CarbonylContact O-C 3.5Å; D244-R248 WeakPolarHBondContact O-CA 3.48Å; D244-R248 PolarHBondContact O-N 2.84Å; W245-R248 PolarHBondContact O-N 2.89Å
249	R	95.7	Very high	96.5	Very high	120 Å²	120	53 Å²	53	45%	0.453	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126	-178	-179.8	177.8	69.6	-160.4	-2	111	W243 D244 I247 E251	W243-R249 CarbonylContact C-O 3.57Å; W243-R249 VanDerWaalsContact CA-O 3.32Å; W243-R249 WeakPolarHBondContact CA-O 3.47Å; D244-R249 PolarHBondContact N-O 2.97Å; D244-R249 PolarHBondContact O-N 2.82Å; I247-R249 VanDerWaalsContact C-N 3.31Å; I247-R249 HydrophobicContact CD1-CB 4.06Å; I247-R249 HydrophobicContact CG1-CB 3.89Å; I247-R249 PolarHBondContact O-N 2.78Å; R249-E251 IonicContact CZ-OE1 3.59Å; R249-E251 IonicContact NE-OE1 2.67Å; R249-E251 IonicContact NH2-OE1 3.46Å; R249-E251 PolarHBondContact NH2-OE1 2.94Å; R249-E251 PolarHBondContact O-N 2.9Å
250	A	96.1	Very high	96.4	Very high	29 Å²	29	49 Å²	49	24%	0.24	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	118.5	160.2	0	0	0	0	0	108.5	R214 V241 W243	R214-A250 HydrophobicContact CG-CB 3.9Å; V241-A250 HydrophobicContact CG1-CB 3.69Å; W243-A250 HydrophobicContact CD2-CB 4.39Å; W243-A250 HydrophobicContact CE3-CB 3.78Å; W243-A250 HydrophobicContact CH2-CB 4.43Å; W243-A250 HydrophobicContact CZ3-CB 3.79Å
251	E	94.2	Very high	96.2	Very high	31 Å²	31	50.3 Å²	50.3	15%	0.145	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-34.1	-179	-58.1	-150.6	130.6	0	0	112.8	R230 I242 D244 R249 Q294	R230-E251 IonicContact CZ-OE2 2.71Å; R230-E251 VanDerWaalsContact CZ-OE2 3.29Å; R230-E251 IonicContact NH1-OE2 3.31Å; R230-E251 PolarHBondContact NH1-OE2 3.04Å; R230-E251 IonicContact NH2-OE2 3.37Å; R230-E251 PolarHBondContact NH2-OE2 3.47Å; I242-E251 PolarHBondContact O-N 3.11Å; D244-E251 HydrophobicContact CB-CG 4.04Å; R249-E251 IonicContact CZ-OE1 3.59Å; R249-E251 IonicContact NE-OE1 2.67Å; R249-E251 IonicContact NH2-OE1 3.46Å; R249-E251 PolarHBondContact NH2-OE1 2.94Å; R249-E251 PolarHBondContact O-N 2.9Å; E251-Q294 PolarHBondContact OE1-NE2 3.36Å; E251-Q294 VanDerWaalsContact OE1-NE2 3.09Å; E251-Q294 PolarHBondContact OE2-NE2 3.4Å
252	L	95.3	Very high	96.2	Very high	20 Å²	20	50.3 Å²	50.3	11%	0.105	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	125.4	-179.2	163.7	57.1	0	0	0	108.7	V241 I242 F254 L290 Q294	V241-L252 CarbonylContact C-O 3.6Å; V241-L252 WeakPolarHBondContact CA-O 3.45Å; I242-L252 HydrophobicContact CB-CB 4.25Å; I242-L252 HydrophobicContact CG1-CB 4.41Å; I242-L252 HydrophobicContact CG1-CD2 4.39Å; I242-L252 HydrophobicContact CG1-CG 4.42Å; I242-L252 PolarHBondContact N-O 3.48Å; I242-L252 PolarHBondContact O-N 3.21Å; L252-F254 HydrophobicContact CD1-CB 4.31Å; L252-F254 HydrophobicContact CD1-CD1 4.17Å; L252-F254 HydrophobicContact CD2-CD1 4.25Å; L252-F254 HydrophobicContact CG-CD1 3.93Å; L252-L290 HydrophobicContact CD2-CD2 4Å; L252-Q294 WeakPolarHBondContact CD1-O 3.11Å
253	E	95.8	Very high	96	Very high	77 Å²	77	51.7 Å²	51.7	36%	0.36	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.2	169.4	176.8	179.2	159.2	0	0	108.5	R239 V241	R239-E253 WeakPolarHBondContact CD-OE1 3.44Å; R239-E253 IonicContact CZ-OE1 3.7Å; R239-E253 IonicContact NE-OE1 3.78Å; R239-E253 IonicContact NH1-OE1 3.24Å; R239-E253 PolarHBondContact NH1-OE1 3.08Å; V241-E253 HydrophobicContact CG2-CB 4.24Å; V241-E253 HydrophobicContact CG2-CG 4Å
254	F	96.9	Very high	96	Very high	16 Å²	16	52.8 Å²	52.8	7%	0.07	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	155.4	179.4	66.4	-80.2	0	0	0	113.2	R239 V240 I242 L252 L276 M278 A288 L290 C296 T299	R239-F254 WeakPolarHBondContact CA-O 3.34Å; V240-F254 HydrophobicContact CB-CD1 4.36Å; V240-F254 HydrophobicContact CB-CE1 3.8Å; V240-F254 HydrophobicContact CB-CE2 4.19Å; V240-F254 HydrophobicContact CB-CZ 3.7Å; V240-F254 HydrophobicContact CG1-CD1 4.41Å; V240-F254 HydrophobicContact CG1-CE1 3.51Å; V240-F254 HydrophobicContact CG1-CZ 3.57Å; V240-F254 PolarHBondContact N-O 2.91Å; V240-F254 WeakPolarHBondContact O-CD1 3.15Å; V240-F254 PolarHBondContact O-N 2.85Å; I242-F254 HydrophobicContact CD1-CE1 4.5Å; I242-F254 HydrophobicContact CG1-CE1 4.32Å; L252-F254 HydrophobicContact CD1-CB 4.31Å; L252-F254 HydrophobicContact CD1-CD1 4.17Å; L252-F254 HydrophobicContact CD2-CD1 4.25Å; L252-F254 HydrophobicContact CG-CD1 3.93Å; F254-L276 HydrophobicContact CZ-CD2 4.03Å; F254-M278 HydrophobicContact CE2-CE 4.44Å; F254-M278 HydrophobicContact CE2-SD 4.13Å; F254-M278 HydrophobicContact CZ-SD 4.31Å; F254-A288 HydrophobicContact CE2-CB 3.6Å; F254-A288 HydrophobicContact CZ-CB 3.78Å; F254-L290 HydrophobicContact CE1-CD2 4.05Å; F254-L290 HydrophobicContact CZ-CD2 4.08Å; F254-C296 HydrophobicContact CB-CB 3.73Å; F254-C296 HydrophobicContact CD1-CB 4.04Å; F254-C296 HydrophobicContact CD2-CB 3.74Å; F254-C296 HydrophobicContact CE2-CB 4.33Å; F254-C296 HydrophobicContact CG-CB 3.57Å; F254-T299 HydrophobicContact CD2-CG2 4.2Å; F254-T299 HydrophobicContact CE2-CG2 4.04Å
255	D	97	Very high	96.1	Very high	100 Å²	100	51.1 Å²	51.1	54%	0.535	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	123.5	170.3	-169.9	-55.1	0	0	0	109.7	G257	D255-G257 PolarHBondContact O-N 3.11Å; D255-G257 WeakPolarHBondContact OD1-CA 3.39Å; D255-G257 PolarHBondContact OD1-N 2.67Å
256	S	97	Very high	96.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.248	C	C	.	.			trans	-69.9	-19	-177.1	67.8	0	0	0	0	113.5	L238 H258 V262 M278 R286 T299	L238-S256 VanDerWaalsContact O-CB 3.27Å; L238-S256 WeakPolarHBondContact O-CB 3.39Å; L238-S256 PolarHBondContact O-N 3.06Å; L238-S256 VanDerWaalsContact O-N 3.12Å; L238-S256 PolarHBondContact O-OG 2.8Å; S256-H258 VanDerWaalsContact C-N 3.26Å; S256-H258 PolarHBondContact OG-CD2 3.18Å; S256-H258 PolarHBondContact OG-N 2.89Å; S256-V262 WeakPolarHBondContact OG-CG2 3.4Å; S256-M278 WeakPolarHBondContact O-CE 3.38Å; S256-R286 WeakPolarHBondContact O-CD 3.38Å; S256-R286 PolarHBondContact O-NE 3.16Å; S256-T299 WeakPolarHBondContact O-CB 3.45Å; S256-T299 PolarHBondContact O-OG1 3.37Å
257	G	97.1	Very high	96.2	Very high	22 Å²	22	46.1 Å²	46.1	23%	0.227	22%	0.223	C	C	.	.			trans	73.1	11	-170.3	0	0	0	0	0	114.5	D255 R286	D255-G257 PolarHBondContact O-N 3.11Å; D255-G257 WeakPolarHBondContact OD1-CA 3.39Å; D255-G257 PolarHBondContact OD1-N 2.67Å; G257-R286 VanDerWaalsContact C-NE 3.33Å; G257-R286 PolarHBondContact O-NE 3.14Å; G257-R286 PolarHBondContact O-NH1 3.12Å
258	H	97.6	Very high	96.2	Very high	6 Å²	6	41.1 Å²	41.1	3%	0.028	20%	0.197	C	C	.	.			trans	-79.7	153.1	166.4	-70.9	-76.4	0	0	0	111.1	S256 V262 A280 D282 Q284	S256-H258 VanDerWaalsContact C-N 3.26Å; S256-H258 PolarHBondContact OG-CD2 3.18Å; S256-H258 PolarHBondContact OG-N 2.89Å; H258-V262 HydrophobicContact CB-CG2 4.49Å; H258-A280 HydrophobicContact CB-CB 3.82Å; H258-A280 VanDerWaalsContact CG-CB 3.42Å; H258-A280 WeakPolarHBondContact ND1-CB 3.35Å; H258-D282 WeakPolarHBondContact CA-OD2 3.33Å; H258-D282 IonicContact CE1-OD1 3.23Å; H258-D282 IonicContact CG-OD1 3.92Å; H258-D282 IonicContact ND1-OD1 3.58Å; H258-D282 PolarHBondContact ND1-OD1 2.87Å; H258-D282 IonicContact ND1-OD2 3.59Å; H258-Q284 PolarHBondContact CE1-O 2.84Å; H258-Q284 VanDerWaalsContact CE1-O 3.31Å
259	K	96.3	Very high	96	Very high	177 Å²	177	35.7 Å²	35.7	77%	0.77	18%	0.178	S	C	*	.	S	Bend	trans	-100.2	0.1	-179.7	-60.4	-172.4	176.9	-170.7	0	113.8	D282	K259-D282 HydrophobicContact CB-CB 4.32Å; K259-D282 PolarHBondContact N-OD2 3.39Å
260	S	95.9	Very high	95.6	Very high	32 Å²	32	36.6 Å²	36.6	22%	0.224	19%	0.187	C	C	.	.	S	Bend	trans	-157.3	172.4	179.8	-165.9	0	0	0	0	109.2	L238 V262	L238-S260 WeakPolarHBondContact CD2-O 3.29Å; S260-V262 PolarHBondContact O-N 2.93Å
261	N	93.9	Very high	95.1	Very high	29 Å²	29	36 Å²	36	16%	0.155	18%	0.182	C	C	.	.			trans	-40	122.2	-168.1	-49.4	45.7	0	0	0	113	D236 F263 A280 R281	D236-N261 WeakPolarHBondContact OD1-CB 2.88Å; D236-N261 PolarHBondContact OD1-ND2 2.76Å; D236-N261 PolarHBondContact OD2-ND2 2.9Å; N261-F263 HydrophobicContact CB-CD1 4.03Å; N261-F263 HydrophobicContact CB-CE1 3.72Å; N261-F263 PolarHBondContact O-N 2.8Å; N261-A280 VanDerWaalsContact O-CA 3.29Å; N261-A280 WeakPolarHBondContact O-CA 3.49Å; N261-A280 WeakPolarHBondContact O-CB 3.42Å; N261-R281 HydrophobicContact CB-CB 4.34Å; N261-R281 PolarHBondContact O-N 3.28Å
262	V	96.5	Very high	94.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	116.8	174.2	-177.3	0	0	0	0	107.6	N220 T221 S235 V240 S256 H258 S260	N220-V262 WeakPolarHBondContact CB-O 3.4Å; N220-V262 PolarHBondContact ND2-O 2.8Å; T221-V262 HydrophobicContact CG2-CG1 4.48Å; S235-V262 PolarHBondContact O-N 3.17Å; S235-V262 VanDerWaalsContact O-N 3.14Å; V240-V262 HydrophobicContact CG2-CG1 4.3Å; S256-V262 WeakPolarHBondContact OG-CG2 3.4Å; H258-V262 HydrophobicContact CB-CG2 4.49Å; S260-V262 PolarHBondContact O-N 2.93Å
263	F	95	Very high	94.5	Very high	32 Å²	32	38.6 Å²	38.6	14%	0.14	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-32.6	-175.3	-76.5	-14.1	0	0	0	112.2	N261 C279 R281 A308 H310	N261-F263 HydrophobicContact CB-CD1 4.03Å; N261-F263 HydrophobicContact CB-CE1 3.72Å; N261-F263 PolarHBondContact O-N 2.8Å; F263-C279 PolarHBondContact N-O 3.26Å; F263-R281 HydrophobicContact CD2-CB 4.27Å; F263-R281 HydrophobicContact CE1-CB 4.12Å; F263-R281 HydrophobicContact CE2-CB 3.65Å; F263-R281 HydrophobicContact CE2-CG 3.9Å; F263-R281 HydrophobicContact CZ-CB 3.58Å; F263-R281 HydrophobicContact CZ-CG 3.74Å; F263-A308 HydrophobicContact CE2-CB 3.96Å; F263-H310 AromaticContact CD2-ND1 3.7Å; F263-H310 AromaticContact CE2-CE1 3.56Å; F263-H310 AromaticContact CE2-ND1 3.62Å
264	Q	96.5	Very high	94.3	Very high	27 Å²	27	37.3 Å²	37.3	13%	0.126	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	144	170.6	-157.8	152.2	88.1	0	0	113.1	T221 K266 M278 C279 K311 L312	T221-Q264 WeakPolarHBondContact OG1-CA 3.21Å; Q264-K266 VanDerWaalsContact CD-CE 3.4Å; Q264-K266 HydrophobicContact CG-CD 4.3Å; Q264-K266 HydrophobicContact CG-CG 3.98Å; Q264-M278 CarbonylContact O-C 3.58Å; Q264-M278 WeakPolarHBondContact O-CA 3.49Å; Q264-C279 VanDerWaalsContact CB-SG 3.56Å; Q264-C279 PolarHBondContact N-O 2.88Å; Q264-C279 PolarHBondContact O-N 3.41Å; Q264-K311 VanDerWaalsContact OE1-CG 3.32Å; Q264-L312 PolarHBondContact OE1-O 3.49Å; Q264-L312 VanDerWaalsContact OE1-O 3.12Å
265	A	97.7	Very high	94.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	123.7	173.9	0	0	0	0	0	108.6	T221 H223 V240 L276 A277 M278	T221-A265 HydrophobicContact CG2-CB 3.88Å; T221-A265 PolarHBondContact OG1-N 2.97Å; T221-A265 VanDerWaalsContact OG1-N 3.08Å; T221-A265 PolarHBondContact OG1-O 2.99Å; H223-A265 WeakPolarHBondContact CB-O 3.48Å; V240-A265 HydrophobicContact CG2-CB 4.14Å; A265-L276 HydrophobicContact CB-CD2 4.11Å; A265-A277 CarbonylContact C-O 3.58Å; A265-A277 WeakPolarHBondContact CA-O 3.4Å; A265-M278 HydrophobicContact CB-CG 4.15Å
266	K	97.6	Very high	94.1	Very high	18 Å²	18	33 Å²	33	8%	0.078	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	140.1	-173.1	-63.8	-169.6	162.4	166.7	0	112.6	H223 Q264 L276 A277 L312 L314	H223-K266 HydrophobicContact CB-CG 4.2Å; H223-K266 VanDerWaalsContact CD2-CG 3.44Å; H223-K266 WeakPolarHBondContact CD2-CG 3.38Å; Q264-K266 VanDerWaalsContact CD-CE 3.4Å; Q264-K266 HydrophobicContact CG-CD 4.3Å; Q264-K266 HydrophobicContact CG-CG 3.98Å; K266-L276 CarbonylContact O-C 3.53Å; K266-L276 VanDerWaalsContact O-CA 3.31Å; K266-L276 WeakPolarHBondContact O-CA 3.45Å; K266-L276 WeakPolarHBondContact O-CD1 3.46Å; K266-A277 PolarHBondContact N-O 3.22Å; K266-A277 PolarHBondContact O-N 3.48Å; K266-L312 HydrophobicContact CD-CB 4.44Å; K266-L312 PolarHBondContact NZ-O 2.77Å; K266-L314 HydrophobicContact CB-CD1 4.21Å; K266-L314 HydrophobicContact CB-CD2 4.29Å; K266-L314 HydrophobicContact CD-CD1 4.05Å; K266-L314 HydrophobicContact CD-CD2 4.42Å; K266-L314 HydrophobicContact CD-CG 4.06Å
267	F	96.8	Very high	94.2	Very high	1 Å²	1	33 Å²	33	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	133.9	167.2	-65	-81.6	0	0	0	110.1	H223 N225 R230 A232 I242 D273 L276 L290 L314	H223-F267 PolarHBondContact ND1-N 2.97Å; N225-F267 VanDerWaalsContact CA-CD2 3.45Å; N225-F267 HydrophobicContact CB-CB 4.48Å; N225-F267 HydrophobicContact CB-CD1 4.29Å; N225-F267 HydrophobicContact CB-CD2 3.64Å; N225-F267 HydrophobicContact CB-CE1 4.42Å; N225-F267 HydrophobicContact CB-CE2 3.77Å; N225-F267 HydrophobicContact CB-CG 3.89Å; N225-F267 HydrophobicContact CB-CZ 4.17Å; R230-F267 HydrophobicContact CB-CE2 4.5Å; R230-F267 HydrophobicContact CB-CZ 4.12Å; A232-F267 HydrophobicContact CB-CD2 4.21Å; A232-F267 HydrophobicContact CB-CE2 3.57Å; A232-F267 HydrophobicContact CB-CZ 4.01Å; I242-F267 HydrophobicContact CD1-CE1 4.39Å; I242-F267 HydrophobicContact CD1-CZ 4.02Å; I242-F267 HydrophobicContact CG2-CZ 4.09Å; F267-D273 HydrophobicContact CD1-CB 4.2Å; F267-D273 HydrophobicContact CE1-CB 4.16Å; F267-L276 HydrophobicContact CB-CD1 4.44Å; F267-L276 HydrophobicContact CD1-CD1 3.72Å; F267-L276 HydrophobicContact CD2-CD1 4.15Å; F267-L276 HydrophobicContact CE1-CD1 3.96Å; F267-L276 HydrophobicContact CE2-CD1 4.38Å; F267-L276 HydrophobicContact CG-CD1 3.83Å; F267-L276 HydrophobicContact CZ-CD1 4.29Å; F267-L290 HydrophobicContact CE1-CD1 4.41Å; F267-L314 WeakPolarHBondContact O-CD1 3.35Å
268	L	95.4	Very high	94.2	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-72.3	135.7	169.5	-64.2	-169	0	0	0	109.8	S271 T275 A277 L314 P319 F322 L336	L268-S271 WeakPolarHBondContact O-CB 2.97Å; L268-S271 PolarHBondContact O-N 3.17Å; L268-S271 PolarHBondContact O-OG 3.41Å; L268-T275 HydrophobicContact CD1-CG2 3.55Å; L268-T275 HydrophobicContact CG-CG2 4Å; L268-T275 PolarHBondContact N-O 3.13Å; L268-A277 HydrophobicContact CD2-CB 3.77Å; L268-A277 HydrophobicContact CG-CB 4.45Å; L268-L314 HydrophobicContact CD2-CD2 3.56Å; L268-P319 WeakPolarHBondContact CD1-O 3.03Å; L268-F322 HydrophobicContact CD1-CD1 4.38Å; L268-F322 HydrophobicContact CD1-CE1 4.44Å; L268-F322 HydrophobicContact CD2-CD1 3.84Å; L268-F322 HydrophobicContact CD2-CE1 4.32Å; L268-F322 HydrophobicContact CD2-CG 4.31Å; L268-L336 HydrophobicContact CD1-CD1 3.6Å
269	P	92.1	Very high	94.2	Very high	13 Å²	13	31.7 Å²	31.7	8%	0.084	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	150.3	177.9	-24.7	36.1	0	0	0	111.8	S271 L314 P316 P319	P269-S271 PolarHBondContact O-N 3.41Å; P269-L314 HydrophobicContact CG-CB 4.22Å; P269-L314 HydrophobicContact CG-CD1 4.28Å; P269-P316 WeakPolarHBondContact CB-O 3.33Å; P269-P316 WeakPolarHBondContact CG-O 3.38Å; P269-P319 WeakPolarHBondContact O-CA 3.44Å; P269-P319 WeakPolarHBondContact O-CB 3.5Å
270	H	87.2	Confident	94.3	Very high	139 Å²	139	23.3 Å²	23.3	64%	0.644	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	5.6	176.3	-52.2	-72.2	0	0	0	117	G272 P316 P319	H270-G272 PolarHBondContact O-N 3.19Å; H270-P316 PolarHBondContact CD2-O 2.97Å; H270-P316 PolarHBondContact NE2-O 3.14Å; H270-P319 HydrophobicContact CB-CB 4.31Å
271	S	86.2	Confident	94.3	Very high	17 Å²	17	27 Å²	27	12%	0.119	15%	0.152	C	C	.	.	S	Bend	trans	-79	4.4	-179.1	68.3	0	0	0	0	114.7	L268 P269 D273 S274	L268-S271 WeakPolarHBondContact O-CB 2.97Å; L268-S271 PolarHBondContact O-N 3.17Å; L268-S271 PolarHBondContact O-OG 3.41Å; P269-S271 PolarHBondContact O-N 3.41Å; S271-D273 PolarHBondContact O-N 2.86Å; S271-S274 WeakPolarHBondContact O-CB 2.96Å; S271-S274 PolarHBondContact O-N 3.29Å; S271-S274 VanDerWaalsContact O-N 3.1Å; S271-S274 PolarHBondContact O-OG 2.86Å
272	G	85.5	Confident	94.4	Very high	71 Å²	71	27.3 Å²	27.3	73%	0.732	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	33.3	-174	0	0	0	0	0	113	H270 S274	H270-G272 PolarHBondContact O-N 3.19Å; G272-S274 PolarHBondContact O-N 3.35Å; G272-S274 VanDerWaalsContact O-N 3.08Å
273	D	89.7	Confident	94.4	Very high	34 Å²	34	27.3 Å²	27.3	18%	0.182	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	11.4	-173.3	-51.5	-20.7	0	0	0	115.2	N225 R230 F267 S271	N225-D273 WeakPolarHBondContact CB-OD1 3.48Å; N225-D273 PolarHBondContact ND2-OD2 2.91Å; R230-D273 IonicContact NE-OD2 3.02Å; F267-D273 HydrophobicContact CD1-CB 4.2Å; F267-D273 HydrophobicContact CE1-CB 4.16Å; S271-D273 PolarHBondContact O-N 2.86Å
274	S	91.8	Very high	94.5	Very high	49 Å²	49	26.4 Å²	26.4	34%	0.343	15%	0.149	S	C	.	.			trans	-83	-11.6	-176.8	69.4	0	0	0	0	114.6	S271 G272 L290	S271-S274 WeakPolarHBondContact O-CB 2.96Å; S271-S274 PolarHBondContact O-N 3.29Å; S271-S274 VanDerWaalsContact O-N 3.1Å; S271-S274 PolarHBondContact O-OG 2.86Å; G272-S274 PolarHBondContact O-N 3.35Å; G272-S274 VanDerWaalsContact O-N 3.08Å; S274-L290 PolarHBondContact O-N 3.03Å
275	T	94.6	Very high	94.6	Very high	27 Å²	27	25.1 Å²	25.1	17%	0.166	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	125.3	-176.6	-51.2	0	0	0	0	112	L268 V287 L336	L268-T275 HydrophobicContact CD1-CG2 3.55Å; L268-T275 HydrophobicContact CG-CG2 4Å; L268-T275 PolarHBondContact N-O 3.13Å; T275-V287 HydrophobicContact CG2-CG1 3.41Å; T275-V287 VanDerWaalsContact CG2-CG1 3.41Å; T275-L336 HydrophobicContact CG2-CD1 4.14Å
276	L	96.4	Very high	94.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	122.6	177.6	-159.1	87.1	0	0	0	110.3	A232 V240 I242 F254 A265 K266 F267 M278 V287 A288 L290	A232-L276 HydrophobicContact CB-CD1 4.01Å; V240-L276 HydrophobicContact CG1-CD2 3.65Å; I242-L276 HydrophobicContact CD1-CD1 4.38Å; I242-L276 HydrophobicContact CD1-CD2 4.34Å; F254-L276 HydrophobicContact CZ-CD2 4.03Å; A265-L276 HydrophobicContact CB-CD2 4.11Å; K266-L276 CarbonylContact O-C 3.53Å; K266-L276 VanDerWaalsContact O-CA 3.31Å; K266-L276 WeakPolarHBondContact O-CA 3.45Å; K266-L276 WeakPolarHBondContact O-CD1 3.46Å; F267-L276 HydrophobicContact CB-CD1 4.44Å; F267-L276 HydrophobicContact CD1-CD1 3.72Å; F267-L276 HydrophobicContact CD2-CD1 4.15Å; F267-L276 HydrophobicContact CE1-CD1 3.96Å; F267-L276 HydrophobicContact CE2-CD1 4.38Å; F267-L276 HydrophobicContact CG-CD1 3.83Å; F267-L276 HydrophobicContact CZ-CD1 4.29Å; L276-M278 HydrophobicContact CD2-CG 4.14Å; L276-M278 HydrophobicContact CD2-SD 4.17Å; L276-V287 CarbonylContact O-C 3.56Å; L276-V287 VanDerWaalsContact O-CA 3.29Å; L276-V287 WeakPolarHBondContact O-CA 3.41Å; L276-A288 HydrophobicContact CB-CB 4.23Å; L276-A288 PolarHBondContact N-O 3.45Å; L276-A288 PolarHBondContact O-N 2.8Å; L276-L290 HydrophobicContact CB-CD1 4.35Å
277	A	97.9	Very high	94.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	139.2	172.6	0	0	0	0	0	110.9	A265 K266 L268 V287 L312 F322	A265-A277 CarbonylContact C-O 3.58Å; A265-A277 WeakPolarHBondContact CA-O 3.4Å; K266-A277 PolarHBondContact N-O 3.22Å; K266-A277 PolarHBondContact O-N 3.48Å; L268-A277 HydrophobicContact CD2-CB 3.77Å; L268-A277 HydrophobicContact CG-CB 4.45Å; A277-V287 HydrophobicContact CB-CG2 4.45Å; A277-L312 HydrophobicContact CB-CD1 3.81Å; A277-F322 HydrophobicContact CB-CD1 4.41Å; A277-F322 HydrophobicContact CB-CD2 4.28Å; A277-F322 HydrophobicContact CB-CE1 3.98Å; A277-F322 HydrophobicContact CB-CE2 3.8Å; A277-F322 HydrophobicContact CB-CZ 3.64Å
278	M	98.2	Very high	94.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	144.4	-170.9	-54.4	-179.1	-59.3	0	0	111.9	V240 F254 S256 Q264 A265 L276 I285 R286 A288 T299	V240-M278 HydrophobicContact CG2-SD 3.83Å; F254-M278 HydrophobicContact CE2-CE 4.44Å; F254-M278 HydrophobicContact CE2-SD 4.13Å; F254-M278 HydrophobicContact CZ-SD 4.31Å; S256-M278 WeakPolarHBondContact O-CE 3.38Å; Q264-M278 CarbonylContact O-C 3.58Å; Q264-M278 WeakPolarHBondContact O-CA 3.49Å; A265-M278 HydrophobicContact CB-CG 4.15Å; L276-M278 HydrophobicContact CD2-CG 4.14Å; L276-M278 HydrophobicContact CD2-SD 4.17Å; M278-I285 WeakPolarHBondContact O-CA 3.17Å; M278-R286 HydrophobicContact CB-CB 4.49Å; M278-R286 HydrophobicContact CE-CB 3.87Å; M278-R286 PolarHBondContact N-O 3.11Å; M278-R286 PolarHBondContact O-N 3.17Å; M278-A288 HydrophobicContact CE-CB 4.07Å; M278-A288 HydrophobicContact SD-CB 4.43Å; M278-T299 HydrophobicContact CE-CG2 4.01Å
279	C	97.9	Very high	94.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	156.1	170.5	72.8	0	0	0	0	111.7	F263 Q264 I285 A309 L312	F263-C279 PolarHBondContact N-O 3.26Å; Q264-C279 VanDerWaalsContact CB-SG 3.56Å; Q264-C279 PolarHBondContact N-O 2.88Å; Q264-C279 PolarHBondContact O-N 3.41Å; C279-I285 HydrophobicContact CB-CD1 3.51Å; C279-A309 HydrophobicContact CB-CB 3.87Å; C279-A309 PolarHBondContact SG-O 2.84Å; C279-L312 HydrophobicContact CB-CD2 4.01Å; C279-L312 HydrophobicContact CB-CG 4.17Å
280	A	97.1	Very high	94.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	172.6	-170.2	0	0	0	0	0	113.2	H258 N261 D282 G283 A309	H258-A280 HydrophobicContact CB-CB 3.82Å; H258-A280 VanDerWaalsContact CG-CB 3.42Å; H258-A280 WeakPolarHBondContact ND1-CB 3.35Å; N261-A280 VanDerWaalsContact O-CA 3.29Å; N261-A280 WeakPolarHBondContact O-CA 3.49Å; N261-A280 WeakPolarHBondContact O-CB 3.42Å; A280-D282 PolarHBondContact O-N 3.21Å; A280-D282 VanDerWaalsContact O-N 3.16Å; A280-G283 PolarHBondContact O-N 3.06Å; A280-A309 PolarHBondContact N-O 2.78Å; A280-A309 PolarHBondContact O-N 3.07Å; A280-A309 VanDerWaalsContact O-N 3.08Å
281	R	96.5	Very high	94.4	Very high	111 Å²	111	25.2 Å²	25.2	42%	0.419	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.2	175.5	-163	178.1	-174.4	-168.7	2	114.1	N261 F263 G283 A308	N261-R281 HydrophobicContact CB-CB 4.34Å; N261-R281 PolarHBondContact O-N 3.28Å; F263-R281 HydrophobicContact CD2-CB 4.27Å; F263-R281 HydrophobicContact CE1-CB 4.12Å; F263-R281 HydrophobicContact CE2-CB 3.65Å; F263-R281 HydrophobicContact CE2-CG 3.9Å; F263-R281 HydrophobicContact CZ-CB 3.58Å; F263-R281 HydrophobicContact CZ-CG 3.74Å; R281-G283 PolarHBondContact O-N 3.03Å; R281-A308 HydrophobicContact CG-CB 4.16Å
282	D	96.3	Very high	93.9	Very high	34 Å²	34	29.8 Å²	29.8	18%	0.182	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	4.3	175.3	76.5	-6.5	0	0	0	114.5	H258 K259 A280 Q284 Q304	H258-D282 WeakPolarHBondContact CA-OD2 3.33Å; H258-D282 IonicContact CE1-OD1 3.23Å; H258-D282 IonicContact CG-OD1 3.92Å; H258-D282 IonicContact ND1-OD1 3.58Å; H258-D282 PolarHBondContact ND1-OD1 2.87Å; H258-D282 IonicContact ND1-OD2 3.59Å; K259-D282 HydrophobicContact CB-CB 4.32Å; K259-D282 PolarHBondContact N-OD2 3.39Å; A280-D282 PolarHBondContact O-N 3.21Å; A280-D282 VanDerWaalsContact O-N 3.16Å; D282-Q284 PolarHBondContact O-N 2.97Å; D282-Q284 VanDerWaalsContact O-N 3.09Å; D282-Q284 VanDerWaalsContact OD1-CB 3.29Å; D282-Q284 WeakPolarHBondContact OD1-CB 3.37Å; D282-Q284 PolarHBondContact OD1-N 2.89Å; D282-Q284 PolarHBondContact OD2-NE2 3.43Å; D282-Q304 PolarHBondContact O-NE2 2.79Å
283	G	96.6	Very high	93.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.185	C	C	.	.			trans	71.8	-4.4	178.3	0	0	0	0	0	114.5	A280 R281 Q304 H305 G307	A280-G283 PolarHBondContact O-N 3.06Å; R281-G283 PolarHBondContact O-N 3.03Å; G283-Q304 CarbonylContact O-C 3.5Å; G283-Q304 WeakPolarHBondContact O-CA 3.37Å; G283-Q304 PolarHBondContact O-NE2 3.31Å; G283-H305 PolarHBondContact O-N 2.89Å; G283-G307 WeakPolarHBondContact CA-O 3.46Å
284	Q	97.6	Very high	92.7	Very high	13 Å²	13	34.6 Å²	34.6	6%	0.061	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	145.4	175.1	-63.7	-175	63.1	0	0	109.8	H258 D282 R286 R301	H258-Q284 PolarHBondContact CE1-O 2.84Å; H258-Q284 VanDerWaalsContact CE1-O 3.31Å; D282-Q284 PolarHBondContact O-N 2.97Å; D282-Q284 VanDerWaalsContact O-N 3.09Å; D282-Q284 VanDerWaalsContact OD1-CB 3.29Å; D282-Q284 WeakPolarHBondContact OD1-CB 3.37Å; D282-Q284 PolarHBondContact OD1-N 2.89Å; D282-Q284 PolarHBondContact OD2-NE2 3.43Å; Q284-R286 HydrophobicContact CB-CG 4.08Å; Q284-R301 HydrophobicContact CB-CG 4.43Å; Q284-R301 HydrophobicContact CG-CG 4.44Å
285	I	98.2	Very high	92.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125.9	156.6	-46.6	-60.5	0	0	0	107	M278 C279 R301 V302 A303 A309 L312 F322 S324 I334	M278-I285 WeakPolarHBondContact O-CA 3.17Å; C279-I285 HydrophobicContact CB-CD1 3.51Å; I285-R301 WeakPolarHBondContact O-CA 3.35Å; I285-V302 HydrophobicContact CB-CG2 4.06Å; I285-V302 HydrophobicContact CG2-CG2 3.81Å; I285-V302 WeakPolarHBondContact O-CG2 3.24Å; I285-V302 PolarHBondContact O-N 3.43Å; I285-A303 HydrophobicContact CB-CB 3.91Å; I285-A303 HydrophobicContact CG1-CB 3.77Å; I285-A303 PolarHBondContact N-O 3.32Å; I285-A303 PolarHBondContact O-N 3.03Å; I285-A309 HydrophobicContact CD1-CB 3.57Å; I285-L312 HydrophobicContact CD1-CD2 4.16Å; I285-L312 HydrophobicContact CG2-CD2 4.18Å; I285-F322 HydrophobicContact CG2-CE2 3.78Å; I285-F322 HydrophobicContact CG2-CZ 4.17Å; I285-S324 VanDerWaalsContact CD1-CB 3.46Å; I285-I334 HydrophobicContact CB-CD1 4.19Å; I285-I334 HydrophobicContact CG1-CD1 4.33Å; I285-I334 HydrophobicContact CG2-CD1 3.7Å
286	R	97.6	Very high	92.3	Very high	32 Å²	32	40.5 Å²	40.5	12%	0.121	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	156.5	-178	-61.1	-179.7	71.5	85	-1.6	110.4	S256 G257 M278 Q284 T299 K300 R301	S256-R286 WeakPolarHBondContact O-CD 3.38Å; S256-R286 PolarHBondContact O-NE 3.16Å; G257-R286 VanDerWaalsContact C-NE 3.33Å; G257-R286 PolarHBondContact O-NE 3.14Å; G257-R286 PolarHBondContact O-NH1 3.12Å; M278-R286 HydrophobicContact CB-CB 4.49Å; M278-R286 HydrophobicContact CE-CB 3.87Å; M278-R286 PolarHBondContact N-O 3.11Å; M278-R286 PolarHBondContact O-N 3.17Å; Q284-R286 HydrophobicContact CB-CG 4.08Å; R286-T299 PolarHBondContact NH2-O 2.71Å; R286-T299 PolarHBondContact NH2-OG1 2.82Å; R286-K300 CarbonylContact C-O 3.55Å; R286-K300 VanDerWaalsContact CA-O 3.28Å; R286-K300 WeakPolarHBondContact CA-O 3.43Å; R286-R301 HydrophobicContact CG-CB 4.43Å
287	V	97.1	Very high	91.9	Very high	15 Å²	15	46.7 Å²	46.7	9%	0.091	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.1	173.3	176.9	0	0	0	0	108.8	T275 L276 A277 T299 K300 V302 F322 L336	T275-V287 HydrophobicContact CG2-CG1 3.41Å; T275-V287 VanDerWaalsContact CG2-CG1 3.41Å; L276-V287 CarbonylContact O-C 3.56Å; L276-V287 VanDerWaalsContact O-CA 3.29Å; L276-V287 WeakPolarHBondContact O-CA 3.41Å; A277-V287 HydrophobicContact CB-CG2 4.45Å; V287-T299 CarbonylContact O-C 3.51Å; V287-T299 VanDerWaalsContact O-CA 3.31Å; V287-T299 WeakPolarHBondContact O-CA 3.47Å; V287-K300 PolarHBondContact N-O 2.89Å; V287-K300 PolarHBondContact O-N 2.91Å; V287-V302 HydrophobicContact CB-CG1 4.41Å; V287-V302 HydrophobicContact CG2-CG1 3.98Å; V287-V302 HydrophobicContact CG2-CG2 3.98Å; V287-F322 HydrophobicContact CG2-CE1 4.21Å; V287-F322 HydrophobicContact CG2-CZ 3.94Å; V287-L336 HydrophobicContact CG1-CD1 4Å; V287-L336 HydrophobicContact CG2-CD1 4.08Å; V287-L336 HydrophobicContact CG2-CD2 3.92Å
288	A	96.8	Very high	91.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	133.5	173.6	0	0	0	0	0	110.5	F254 L276 M278 L290 N298 T299	F254-A288 HydrophobicContact CE2-CB 3.6Å; F254-A288 HydrophobicContact CZ-CB 3.78Å; L276-A288 HydrophobicContact CB-CB 4.23Å; L276-A288 PolarHBondContact N-O 3.45Å; L276-A288 PolarHBondContact O-N 2.8Å; M278-A288 HydrophobicContact CE-CB 4.07Å; M278-A288 HydrophobicContact SD-CB 4.43Å; A288-L290 HydrophobicContact CB-CD2 4.06Å; A288-N298 WeakPolarHBondContact CA-O 3.38Å; A288-T299 HydrophobicContact CB-CG2 3.83Å
289	E	94.3	Very high	91.4	Very high	91 Å²	91	52.5 Å²	52.5	43%	0.425	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	119.6	169.5	-168.5	-168	165	0	0	109.1	C296 K297 N298	E289-C296 CarbonylContact O-C 3.56Å; E289-C296 WeakPolarHBondContact O-CA 3.34Å; E289-K297 HydrophobicContact CG-CD 4.26Å; E289-K297 PolarHBondContact O-N 3.24Å; E289-K297 WeakPolarHBondContact OE1-CD 3.42Å; E289-K297 WeakPolarHBondContact OE1-CE 3.18Å; E289-K297 IonicContact OE1-NZ 3.75Å; E289-K297 PolarHBondContact OE1-NZ 3Å; E289-N298 PolarHBondContact N-O 2.92Å
290	L	91.9	Very high	91.3	Very high	13 Å²	13	58.1 Å²	58.1	7%	0.068	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	130.7	-177.1	-47.7	-174.6	0	0	0	109.4	I242 L252 F254 F267 S274 L276 A288 C296	I242-L290 HydrophobicContact CD1-CD1 4.4Å; I242-L290 HydrophobicContact CG1-CD1 4.35Å; L252-L290 HydrophobicContact CD2-CD2 4Å; F254-L290 HydrophobicContact CE1-CD2 4.05Å; F254-L290 HydrophobicContact CZ-CD2 4.08Å; F267-L290 HydrophobicContact CE1-CD1 4.41Å; S274-L290 PolarHBondContact O-N 3.03Å; L276-L290 HydrophobicContact CB-CD1 4.35Å; A288-L290 HydrophobicContact CB-CD2 4.06Å; L290-C296 HydrophobicContact CD2-CB 4.1Å
291	S	84.3	Confident	91.2	Very high	23 Å²	23	65.1 Å²	65.1	16%	0.161	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-84.7	152.3	175.8	60.8	0	0	0	0	112	T293 Q294 R295	S291-T293 WeakPolarHBondContact CB-OG1 3.46Å; S291-T293 PolarHBondContact O-N 2.87Å; S291-T293 VanDerWaalsContact O-N 3.16Å; S291-T293 PolarHBondContact OG-OG1 3Å; S291-Q294 PolarHBondContact O-N 3.24Å; S291-Q294 VanDerWaalsContact O-N 3.07Å; S291-R295 WeakPolarHBondContact CB-O 3.28Å; S291-R295 PolarHBondContact N-O 3.32Å; S291-R295 WeakPolarHBondContact OG-CA 3.27Å; S291-R295 WeakPolarHBondContact OG-CB 3.47Å; S291-R295 PolarHBondContact OG-N 2.82Å; S291-R295 PolarHBondContact OG-O 2.84Å
292	A	76.3	Confident	91.2	Very high	113 Å²	113	61.3 Å²	61.3	93%	0.934	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-25	168.7	0	0	0	0	0	112.7	Q294	A292-Q294 PolarHBondContact O-N 2.87Å
293	T	73.1	Confident	91.2	Very high	120 Å²	120	60.1 Å²	60.1	74%	0.736	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	30.8	172.8	53	0	0	0	0	113.3	S291 R295	S291-T293 WeakPolarHBondContact CB-OG1 3.46Å; S291-T293 PolarHBondContact O-N 2.87Å; S291-T293 VanDerWaalsContact O-N 3.16Å; S291-T293 PolarHBondContact OG-OG1 3Å; T293-R295 VanDerWaalsContact C-N 3.27Å; T293-R295 PolarHBondContact O-N 2.89Å; T293-R295 VanDerWaalsContact O-N 3.1Å
294	Q	76.6	Confident	91.3	Very high	85 Å²	85	64.1 Å²	64.1	40%	0.397	32%	0.322	S	S	.	.	S	Bend	trans	49	40	175.6	-69.1	169.1	-35.7	0	0	114.6	E251 L252 S291 A292	E251-Q294 PolarHBondContact OE1-NE2 3.36Å; E251-Q294 VanDerWaalsContact OE1-NE2 3.09Å; E251-Q294 PolarHBondContact OE2-NE2 3.4Å; L252-Q294 WeakPolarHBondContact CD1-O 3.11Å; S291-Q294 PolarHBondContact O-N 3.24Å; S291-Q294 VanDerWaalsContact O-N 3.07Å; A292-Q294 PolarHBondContact O-N 2.87Å
295	R	85.6	Confident	91.3	Very high	180 Å²	180	63.6 Å²	63.6	68%	0.679	32%	0.32	S	S	*	.			trans	-131.7	133.9	177.1	179	173.4	175.7	174.1	1.7	112.1	S291 T293 K297	S291-R295 WeakPolarHBondContact CB-O 3.28Å; S291-R295 PolarHBondContact N-O 3.32Å; S291-R295 WeakPolarHBondContact OG-CA 3.27Å; S291-R295 WeakPolarHBondContact OG-CB 3.47Å; S291-R295 PolarHBondContact OG-N 2.82Å; S291-R295 PolarHBondContact OG-O 2.84Å; T293-R295 VanDerWaalsContact C-N 3.27Å; T293-R295 PolarHBondContact O-N 2.89Å; T293-R295 VanDerWaalsContact O-N 3.1Å; R295-K297 PolarHBondContact O-N 2.84Å
296	C	91.2	Very high	91.2	Very high	20 Å²	20	73.4 Å²	73.4	14%	0.135	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	121.6	165.1	-179.3	0	0	0	0	109.3	F254 E289 L290	F254-C296 HydrophobicContact CB-CB 3.73Å; F254-C296 HydrophobicContact CD1-CB 4.04Å; F254-C296 HydrophobicContact CD2-CB 3.74Å; F254-C296 HydrophobicContact CE2-CB 4.33Å; F254-C296 HydrophobicContact CG-CB 3.57Å; E289-C296 CarbonylContact O-C 3.56Å; E289-C296 WeakPolarHBondContact O-CA 3.34Å; L290-C296 HydrophobicContact CD2-CB 4.1Å
297	K	88.3	Confident	91	Very high	130 Å²	130	72.9 Å²	72.9	57%	0.565	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	-44.7	178.2	-56.3	-172.7	-161.8	167	0	111.5	E289 R295	E289-K297 HydrophobicContact CG-CD 4.26Å; E289-K297 PolarHBondContact O-N 3.24Å; E289-K297 WeakPolarHBondContact OE1-CD 3.42Å; E289-K297 WeakPolarHBondContact OE1-CE 3.18Å; E289-K297 IonicContact OE1-NZ 3.75Å; E289-K297 PolarHBondContact OE1-NZ 3Å; R295-K297 PolarHBondContact O-N 2.84Å
298	N	91.4	Very high	91	Very high	102 Å²	102	72.3 Å²	72.3	55%	0.545	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	156.7	-173.3	-170.7	12.4	0	0	0	110.5	A288 E289	A288-N298 WeakPolarHBondContact CA-O 3.38Å; E289-N298 PolarHBondContact N-O 2.92Å
299	T	95.7	Very high	91	Very high	21 Å²	21	72.3 Å²	72.3	13%	0.129	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	109.5	167.3	61.2	0	0	0	0	110.2	F254 S256 M278 R286 V287 A288	F254-T299 HydrophobicContact CD2-CG2 4.2Å; F254-T299 HydrophobicContact CE2-CG2 4.04Å; S256-T299 WeakPolarHBondContact O-CB 3.45Å; S256-T299 PolarHBondContact O-OG1 3.37Å; M278-T299 HydrophobicContact CE-CG2 4.01Å; R286-T299 PolarHBondContact NH2-O 2.71Å; R286-T299 PolarHBondContact NH2-OG1 2.82Å; V287-T299 CarbonylContact O-C 3.51Å; V287-T299 VanDerWaalsContact O-CA 3.31Å; V287-T299 WeakPolarHBondContact O-CA 3.47Å; A288-T299 HydrophobicContact CB-CG2 3.83Å
300	K	94.8	Very high	90.9	Very high	118 Å²	118	69.3 Å²	69.3	51%	0.513	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	129.1	179.7	-176.1	178.5	179.7	-178.5	0	109.9	R286 V287 V302 D339	R286-K300 CarbonylContact C-O 3.55Å; R286-K300 VanDerWaalsContact CA-O 3.28Å; R286-K300 WeakPolarHBondContact CA-O 3.43Å; V287-K300 PolarHBondContact N-O 2.89Å; V287-K300 PolarHBondContact O-N 2.91Å; K300-V302 HydrophobicContact CG-CG1 4.38Å; K300-D339 IonicContact NZ-OD1 3.67Å; K300-D339 PolarHBondContact NZ-OD1 3.3Å
301	R	95.9	Very high	91	Very high	146 Å²	146	69.4 Å²	69.4	55%	0.551	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	128.4	165.7	-178.2	-180	60.5	-170.9	-5.2	109.3	Q284 I285 R286 A303	Q284-R301 HydrophobicContact CB-CG 4.43Å; Q284-R301 HydrophobicContact CG-CG 4.44Å; I285-R301 WeakPolarHBondContact O-CA 3.35Å; R286-R301 HydrophobicContact CG-CB 4.43Å; R301-A303 WeakPolarHBondContact CG-O 3.3Å
302	V	96.4	Very high	91.7	Very high	31 Å²	31	68.3 Å²	68.3	19%	0.188	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-25.2	-177.2	-62	0	0	0	0	113.5	I285 V287 K300 F322 I334 L336	I285-V302 HydrophobicContact CB-CG2 4.06Å; I285-V302 HydrophobicContact CG2-CG2 3.81Å; I285-V302 WeakPolarHBondContact O-CG2 3.24Å; I285-V302 PolarHBondContact O-N 3.43Å; V287-V302 HydrophobicContact CB-CG1 4.41Å; V287-V302 HydrophobicContact CG2-CG1 3.98Å; V287-V302 HydrophobicContact CG2-CG2 3.98Å; K300-V302 HydrophobicContact CG-CG1 4.38Å; V302-F322 HydrophobicContact CG2-CZ 4.33Å; V302-I334 HydrophobicContact CB-CG2 4.36Å; V302-I334 HydrophobicContact CG2-CD1 4.13Å; V302-I334 HydrophobicContact CG2-CG2 4.1Å; V302-L336 HydrophobicContact CB-CD2 4.45Å; V302-L336 HydrophobicContact CG1-CD2 3.87Å
303	A	96.4	Very high	92.7	Very high	10 Å²	10	63 Å²	63	8%	0.083	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	172.2	171.9	0	0	0	0	0	111.8	I285 R301 F332 I334 A342	I285-A303 HydrophobicContact CB-CB 3.91Å; I285-A303 HydrophobicContact CG1-CB 3.77Å; I285-A303 PolarHBondContact N-O 3.32Å; I285-A303 PolarHBondContact O-N 3.03Å; R301-A303 WeakPolarHBondContact CG-O 3.3Å; A303-F332 HydrophobicContact CB-CD2 4.34Å; A303-I334 HydrophobicContact CB-CD1 4.11Å; A303-I334 HydrophobicContact CB-CG1 4.48Å; A303-A342 HydrophobicContact CB-CB 3.61Å
304	Q	96.9	Very high	93.8	Very high	83 Å²	83	58.7 Å²	58.7	39%	0.388	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	113.9	178.1	179	72.9	67.1	0	0	109.2	D282 G283	D282-Q304 PolarHBondContact O-NE2 2.79Å; G283-Q304 CarbonylContact O-C 3.5Å; G283-Q304 WeakPolarHBondContact O-CA 3.37Å; G283-Q304 PolarHBondContact O-NE2 3.31Å
305	H	97.8	Very high	94.6	Very high	3 Å²	3	56.5 Å²	56.5	1%	0.014	26%	0.261	C	S	.	.			trans	-77	158.8	164.1	-70.2	-93.8	0	0	0	110.4	G283 G307 S324 G326 D328 V330 F332	G283-H305 PolarHBondContact O-N 2.89Å; H305-G307 WeakPolarHBondContact CB-O 3.37Å; H305-S324 PolarHBondContact NE2-OG 2.97Å; H305-G326 PolarHBondContact CE1-N 2.73Å; H305-D328 WeakPolarHBondContact CA-OD2 3.12Å; H305-D328 IonicContact CE1-OD1 2.74Å; H305-D328 IonicContact CG-OD1 3.26Å; H305-D328 IonicContact ND1-OD1 3.21Å; H305-D328 PolarHBondContact ND1-OD1 3.07Å; H305-D328 IonicContact ND1-OD2 2.69Å; H305-V330 PolarHBondContact CE1-O 3.31Å; H305-V330 VanDerWaalsContact CE1-O 3.29Å; H305-F332 AromaticContact CD2-CD2 3.98Å; H305-F332 AromaticContact CE1-CD2 3.51Å; H305-F332 AromaticContact CE1-CE2 3.85Å; H305-F332 AromaticContact CG-CE2 3.98Å; H305-F332 AromaticContact ND1-CD2 3.98Å; H305-F332 AromaticContact ND1-CE2 3.83Å; H305-F332 AromaticContact NE2-CD2 3.5Å
306	K	96.6	Very high	94.8	Very high	205 Å²	205	50 Å²	50	89%	0.891	24%	0.242	S	C	*	.	S	Bend	trans	-84.1	-10.4	173.9	-63.3	-168.4	173.3	-163.8	0	114.4	D328	K306-D328 HydrophobicContact CB-CB 3.81Å; K306-D328 PolarHBondContact N-OD2 3.17Å
307	G	94.5	Very high	94.5	Very high	22 Å²	22	54.8 Å²	54.8	23%	0.227	27%	0.266	C	S	.	.	S	Bend	trans	-131	-166.5	169.6	0	0	0	0	0	109.7	G283 H305	G283-G307 WeakPolarHBondContact CA-O 3.46Å; H305-G307 WeakPolarHBondContact CB-O 3.37Å
308	A	95.6	Very high	94.6	Very high	3 Å²	3	49.1 Å²	49.1	3%	0.025	24%	0.243	C	C	.	.			trans	-62.9	146.6	179.9	0	0	0	0	0	112.3	F263 R281 G326 E327	F263-A308 HydrophobicContact CE2-CB 3.96Å; R281-A308 HydrophobicContact CG-CB 4.16Å; A308-G326 CarbonylContact O-C 3.59Å; A308-G326 WeakPolarHBondContact O-CA 3.16Å; A308-E327 VanDerWaalsContact CB-CD 3.49Å; A308-E327 HydrophobicContact CB-CG 4.16Å; A308-E327 VanDerWaalsContact CB-OE2 3.26Å; A308-E327 WeakPolarHBondContact CB-OE2 3.47Å; A308-E327 PolarHBondContact N-OE2 3.13Å; A308-E327 PolarHBondContact O-N 3.1Å
309	A	96.5	Very high	94.7	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	98.8	174.8	0	0	0	0	0	108.8	C279 A280 I285	C279-A309 HydrophobicContact CB-CB 3.87Å; C279-A309 PolarHBondContact SG-O 2.84Å; A280-A309 PolarHBondContact N-O 2.78Å; A280-A309 PolarHBondContact O-N 3.07Å; A280-A309 VanDerWaalsContact O-N 3.08Å; I285-A309 HydrophobicContact CD1-CB 3.57Å
310	H	92.1	Very high	94.5	Very high	27 Å²	27	46.7 Å²	46.7	13%	0.125	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-37.9	-169.3	-77.5	-80.5	0	0	0	114.1	F263 A325 E327 Y358	F263-H310 AromaticContact CD2-ND1 3.7Å; F263-H310 AromaticContact CE2-CE1 3.56Å; F263-H310 AromaticContact CE2-ND1 3.62Å; H310-A325 PolarHBondContact N-O 2.97Å; H310-E327 IonicContact CD2-OE1 3.59Å; H310-E327 IonicContact CE1-OE1 3.44Å; H310-E327 WeakPolarHBondContact NE2-CG 3.32Å; H310-E327 IonicContact NE2-OE1 3.71Å; H310-E327 PolarHBondContact NE2-OE1 2.93Å; H310-Y358 VanDerWaalsContact CB-O 3.28Å; H310-Y358 WeakPolarHBondContact CB-O 3.46Å; H310-Y358 AromaticContact CD2-CD1 3.72Å; H310-Y358 AromaticContact NE2-CD1 3.67Å
311	K	95.8	Very high	94.5	Very high	16 Å²	16	42 Å²	42	7%	0.07	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	146.2	-167.5	-151	176	176.1	-138.5	0	114.2	Q264 A325 T359 I360 L416	Q264-K311 VanDerWaalsContact OE1-CG 3.32Å; K311-A325 PolarHBondContact O-N 3.42Å; K311-A325 VanDerWaalsContact O-N 3.14Å; K311-T359 WeakPolarHBondContact CD-OG1 3.32Å; K311-T359 PolarHBondContact NZ-OG1 3.3Å; K311-I360 HydrophobicContact CB-CG2 4.26Å; K311-I360 PolarHBondContact NZ-O 3.1Å; K311-I360 WeakPolarHBondContact O-CG2 3.27Å; K311-L416 PolarHBondContact NZ-O 2.87Å
312	L	97.8	Very high	94.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.6	174.9	-59.4	179.6	0	0	0	110.5	Q264 K266 A277 C279 I285 F322 L323	Q264-L312 PolarHBondContact OE1-O 3.49Å; Q264-L312 VanDerWaalsContact OE1-O 3.12Å; K266-L312 HydrophobicContact CD-CB 4.44Å; K266-L312 PolarHBondContact NZ-O 2.77Å; A277-L312 HydrophobicContact CB-CD1 3.81Å; C279-L312 HydrophobicContact CB-CD2 4.01Å; C279-L312 HydrophobicContact CB-CG 4.17Å; I285-L312 HydrophobicContact CD1-CD2 4.16Å; I285-L312 HydrophobicContact CG2-CD2 4.18Å; L312-F322 HydrophobicContact CD1-CE2 4.45Å; L312-F322 HydrophobicContact CD2-CD2 4.13Å; L312-F322 HydrophobicContact CD2-CE2 4.03Å; L312-L323 WeakPolarHBondContact CA-O 3.3Å
313	A	97.8	Very high	94.6	Very high	2 Å²	2	34.1 Å²	34.1	2%	0.017	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117.9	169.1	0	0	0	0	0	110.1	F322 L323 I360 V362	A313-F322 WeakPolarHBondContact O-CB 3.42Å; A313-L323 HydrophobicContact CB-CB 4.39Å; A313-L323 PolarHBondContact N-O 2.82Å; A313-L323 PolarHBondContact O-N 2.83Å; A313-I360 HydrophobicContact CB-CB 4.4Å; A313-I360 HydrophobicContact CB-CG1 3.9Å; A313-I360 HydrophobicContact CB-CG2 3.96Å; A313-V362 HydrophobicContact CB-CB 4.42Å; A313-V362 HydrophobicContact CB-CG2 3.86Å
314	L	96	Very high	94.7	Very high	28 Å²	28	33.6 Å²	33.6	15%	0.147	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	143.7	177.1	-55	173.9	0	0	0	109.6	K266 F267 L268 P269 F322	K266-L314 HydrophobicContact CB-CD1 4.21Å; K266-L314 HydrophobicContact CB-CD2 4.29Å; K266-L314 HydrophobicContact CD-CD1 4.05Å; K266-L314 HydrophobicContact CD-CD2 4.42Å; K266-L314 HydrophobicContact CD-CG 4.06Å; F267-L314 WeakPolarHBondContact O-CD1 3.35Å; L268-L314 HydrophobicContact CD2-CD2 3.56Å; P269-L314 HydrophobicContact CG-CB 4.22Å; P269-L314 HydrophobicContact CG-CD1 4.28Å; L314-F322 HydrophobicContact CD2-CB 4.26Å
315	E	93.5	Very high	94.7	Very high	39 Å²	39	29.7 Å²	29.7	18%	0.182	16%	0.161	C	C	.	.			trans	-84.2	117.9	162.8	176	167.5	-133.9	0	0	108	D317 S318 S321 T367	E315-D317 VanDerWaalsContact C-N 3.3Å; E315-D317 PolarHBondContact O-N 3.12Å; E315-D317 VanDerWaalsContact O-N 3.15Å; E315-S318 PolarHBondContact O-N 2.84Å; E315-S318 WeakPolarHBondContact OE2-CB 3.38Å; E315-S321 WeakPolarHBondContact OE2-CB 3.07Å; E315-S321 PolarHBondContact OE2-OG 2.86Å; E315-T367 HydrophobicContact CG-CG2 4.43Å; E315-T367 PolarHBondContact OE1-OG1 2.9Å
316	P	89	Confident	94.6	Very high	45 Å²	45	29.6 Å²	29.6	29%	0.292	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-41.5	-169	-30.6	35	0	0	0	115.3	P269 H270 P364	P269-P316 WeakPolarHBondContact CB-O 3.33Å; P269-P316 WeakPolarHBondContact CG-O 3.38Å; H270-P316 PolarHBondContact CD2-O 2.97Å; H270-P316 PolarHBondContact NE2-O 3.14Å; P316-P364 HydrophobicContact CG-CB 4.42Å
317	D	86.6	Confident	94.6	Very high	119 Å²	119	23.6 Å²	23.6	64%	0.636	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	1.7	-175	-50.8	-71.2	0	0	0	113.6	E315	E315-D317 VanDerWaalsContact C-N 3.3Å; E315-D317 PolarHBondContact O-N 3.12Å; E315-D317 VanDerWaalsContact O-N 3.15Å
318	S	90.6	Very high	94.7	Very high	11 Å²	11	23.8 Å²	23.8	8%	0.077	13%	0.131	C	C	.	.			trans	-112.2	122.1	-172.4	-170.9	0	0	0	0	114	E315 C320 S321	E315-S318 PolarHBondContact O-N 2.84Å; E315-S318 WeakPolarHBondContact OE2-CB 3.38Å; S318-C320 PolarHBondContact O-N 2.78Å; S318-C320 PolarHBondContact OG-N 3.28Å; S318-S321 WeakPolarHBondContact OG-CB 3.47Å; S318-S321 PolarHBondContact OG-N 3.06Å; S318-S321 PolarHBondContact OG-OG 3.43Å
319	P	91.9	Very high	94.8	Very high	59 Å²	59	23.6 Å²	23.6	38%	0.383	13%	0.13	S	C	.	.	S	Bend	trans	-80.3	0.8	173.8	34.5	-36.2	0	0	0	114.4	L268 P269 H270	L268-P319 WeakPolarHBondContact CD1-O 3.03Å; P269-P319 WeakPolarHBondContact O-CA 3.44Å; P269-P319 WeakPolarHBondContact O-CB 3.5Å; H270-P319 HydrophobicContact CB-CB 4.31Å
320	C	92	Very high	94.8	Very high	13 Å²	13	24.1 Å²	24.1	9%	0.088	13%	0.133	C	C	.	.	S	Bend	trans	-141.3	-13.4	-171.4	55.6	0	0	0	0	114.7	S318 D335 L336 R337	S318-C320 PolarHBondContact O-N 2.78Å; S318-C320 PolarHBondContact OG-N 3.28Å; C320-D335 WeakPolarHBondContact O-CA 3.32Å; C320-L336 HydrophobicContact CB-CB 4.25Å; C320-L336 PolarHBondContact O-N 2.87Å; C320-R337 HydrophobicContact CB-CG 3.93Å; C320-R337 VanDerWaalsContact SG-CD 3.51Å; C320-R337 VanDerWaalsContact SG-CZ 3.55Å; C320-R337 PolarHBondContact SG-NE 2.79Å
321	S	94.1	Very high	95.1	Very high	20 Å²	20	22.8 Å²	22.8	14%	0.14	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	132.6	179.3	-46.9	0	0	0	0	111.4	E315 S318 I334	E315-S321 WeakPolarHBondContact OE2-CB 3.07Å; E315-S321 PolarHBondContact OE2-OG 2.86Å; S318-S321 WeakPolarHBondContact OG-CB 3.47Å; S318-S321 PolarHBondContact OG-N 3.06Å; S318-S321 PolarHBondContact OG-OG 3.43Å; S321-I334 VanDerWaalsContact CA-O 3.3Å; S321-I334 WeakPolarHBondContact CA-O 3.1Å
322	F	97	Very high	95.2	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.009	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	163.5	167.9	63	-82.5	0	0	0	111.6	L268 A277 I285 V287 V302 L312 A313 L314 I334 L336	L268-F322 HydrophobicContact CD1-CD1 4.38Å; L268-F322 HydrophobicContact CD1-CE1 4.44Å; L268-F322 HydrophobicContact CD2-CD1 3.84Å; L268-F322 HydrophobicContact CD2-CE1 4.32Å; L268-F322 HydrophobicContact CD2-CG 4.31Å; A277-F322 HydrophobicContact CB-CD1 4.41Å; A277-F322 HydrophobicContact CB-CD2 4.28Å; A277-F322 HydrophobicContact CB-CE1 3.98Å; A277-F322 HydrophobicContact CB-CE2 3.8Å; A277-F322 HydrophobicContact CB-CZ 3.64Å; I285-F322 HydrophobicContact CG2-CE2 3.78Å; I285-F322 HydrophobicContact CG2-CZ 4.17Å; V287-F322 HydrophobicContact CG2-CE1 4.21Å; V287-F322 HydrophobicContact CG2-CZ 3.94Å; V302-F322 HydrophobicContact CG2-CZ 4.33Å; L312-F322 HydrophobicContact CD1-CE2 4.45Å; L312-F322 HydrophobicContact CD2-CD2 4.13Å; L312-F322 HydrophobicContact CD2-CE2 4.03Å; A313-F322 WeakPolarHBondContact O-CB 3.42Å; L314-F322 HydrophobicContact CD2-CB 4.26Å; F322-I334 HydrophobicContact CD1-CB 4.42Å; F322-I334 HydrophobicContact CD1-CG2 4.35Å; F322-I334 HydrophobicContact CD2-CD1 4.17Å; F322-I334 HydrophobicContact CE1-CB 4.17Å; F322-I334 HydrophobicContact CE1-CG2 3.71Å; F322-I334 HydrophobicContact CE2-CB 4.32Å; F322-I334 HydrophobicContact CE2-CD1 3.54Å; F322-I334 HydrophobicContact CE2-CG2 4.46Å; F322-I334 HydrophobicContact CZ-CB 4.12Å; F322-I334 HydrophobicContact CZ-CD1 3.84Å; F322-I334 HydrophobicContact CZ-CG2 3.78Å; F322-I334 PolarHBondContact N-O 3.08Å; F322-I334 PolarHBondContact O-N 3.33Å; F322-L336 HydrophobicContact CE1-CD1 4.18Å; F322-L336 HydrophobicContact CE1-CD2 4.11Å; F322-L336 HydrophobicContact CE1-CG 4.14Å
323	L	97.9	Very high	95.1	Very high	9 Å²	9	23.9 Å²	23.9	5%	0.047	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	148.1	177.7	-49	-174	0	0	0	111	L312 A313 V331 F332 L345 I360 V362 F370	L312-L323 WeakPolarHBondContact CA-O 3.3Å; A313-L323 HydrophobicContact CB-CB 4.39Å; A313-L323 PolarHBondContact N-O 2.82Å; A313-L323 PolarHBondContact O-N 2.83Å; L323-V331 HydrophobicContact CB-CG1 4.41Å; L323-F332 CarbonylContact C-O 3.27Å; L323-F332 VanDerWaalsContact CA-O 3.25Å; L323-F332 WeakPolarHBondContact CA-O 3.49Å; L323-L345 HydrophobicContact CD1-CD1 4.48Å; L323-L345 HydrophobicContact CD2-CD1 3.54Å; L323-I360 HydrophobicContact CB-CD1 3.78Å; L323-I360 HydrophobicContact CD1-CD1 3.99Å; L323-V362 HydrophobicContact CD1-CG2 3.8Å; L323-V362 HydrophobicContact CG-CG2 4.19Å; L323-F370 HydrophobicContact CD1-CB 3.97Å; L323-F370 HydrophobicContact CD1-CD1 3.78Å; L323-F370 HydrophobicContact CD1-CD2 4.31Å; L323-F370 HydrophobicContact CD1-CE1 4.35Å; L323-F370 HydrophobicContact CD1-CG 3.76Å
324	S	98.3	Very high	95.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	147	168.7	72.4	0	0	0	0	111.6	I285 H305 V331 F332	I285-S324 VanDerWaalsContact CD1-CB 3.46Å; H305-S324 PolarHBondContact NE2-OG 2.97Å; S324-V331 VanDerWaalsContact O-CA 3.31Å; S324-V331 WeakPolarHBondContact O-CA 3.17Å; S324-F332 PolarHBondContact N-O 3.03Å; S324-F332 PolarHBondContact O-N 3.42Å
325	A	97.8	Very high	95	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.008	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	146.6	176.1	0	0	0	0	0	111.3	H310 K311 L357 I360	H310-A325 PolarHBondContact N-O 2.97Å; K311-A325 PolarHBondContact O-N 3.42Å; K311-A325 VanDerWaalsContact O-N 3.14Å; A325-L357 HydrophobicContact CB-CB 3.93Å; A325-L357 HydrophobicContact CB-CD1 3.83Å; A325-I360 HydrophobicContact CB-CB 3.78Å; A325-I360 HydrophobicContact CB-CD1 4.31Å; A325-I360 HydrophobicContact CB-CG2 3.68Å
326	G	96	Very high	95	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	175	-177.9	0	0	0	0	0	115.2	H305 A308 D328 A329 V330 L357	H305-G326 PolarHBondContact CE1-N 2.73Å; A308-G326 CarbonylContact O-C 3.59Å; A308-G326 WeakPolarHBondContact O-CA 3.16Å; G326-D328 PolarHBondContact O-N 2.66Å; G326-A329 PolarHBondContact O-N 2.83Å; G326-A329 VanDerWaalsContact O-N 3.14Å; G326-V330 PolarHBondContact N-O 2.86Å; G326-L357 CarbonylContact C-O 3.52Å; G326-L357 WeakPolarHBondContact O-CB 3.3Å; G326-L357 PolarHBondContact O-N 2.74Å
327	E	95.9	Very high	95.2	Very high	79 Å²	79	31.7 Å²	31.7	37%	0.369	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-17.3	-173.2	-64.5	174.2	158.4	0	0	114.1	A308 H310 A329 G356 Y358	A308-E327 VanDerWaalsContact CB-CD 3.49Å; A308-E327 HydrophobicContact CB-CG 4.16Å; A308-E327 VanDerWaalsContact CB-OE2 3.26Å; A308-E327 WeakPolarHBondContact CB-OE2 3.47Å; A308-E327 PolarHBondContact N-OE2 3.13Å; A308-E327 PolarHBondContact O-N 3.1Å; H310-E327 IonicContact CD2-OE1 3.59Å; H310-E327 IonicContact CE1-OE1 3.44Å; H310-E327 WeakPolarHBondContact NE2-CG 3.32Å; H310-E327 IonicContact NE2-OE1 3.71Å; H310-E327 PolarHBondContact NE2-OE1 2.93Å; E327-A329 PolarHBondContact O-N 2.84Å; E327-A329 VanDerWaalsContact O-N 3.13Å; E327-G356 WeakPolarHBondContact O-CA 3.44Å; E327-Y358 HydrophobicContact CG-CE1 4.28Å
328	D	96.5	Very high	95.4	Very high	26 Å²	26	29.2 Å²	29.2	14%	0.139	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	7.7	174.2	67.8	-13.1	0	0	0	114	H305 K306 G326 V330	H305-D328 WeakPolarHBondContact CA-OD2 3.12Å; H305-D328 IonicContact CE1-OD1 2.74Å; H305-D328 IonicContact CG-OD1 3.26Å; H305-D328 IonicContact ND1-OD1 3.21Å; H305-D328 PolarHBondContact ND1-OD1 3.07Å; H305-D328 IonicContact ND1-OD2 2.69Å; K306-D328 HydrophobicContact CB-CB 3.81Å; K306-D328 PolarHBondContact N-OD2 3.17Å; G326-D328 PolarHBondContact O-N 2.66Å; D328-V330 HydrophobicContact CB-CG2 4.47Å; D328-V330 PolarHBondContact O-N 2.99Å; D328-V330 WeakPolarHBondContact OD1-CB 3.26Å; D328-V330 PolarHBondContact OD1-N 2.91Å
329	A	97.1	Very high	95	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	65.1	13.4	-175.5	0	0	0	0	0	114.5	G326 E327 V347 V348 K354 V355	G326-A329 PolarHBondContact O-N 2.83Å; G326-A329 VanDerWaalsContact O-N 3.14Å; E327-A329 PolarHBondContact O-N 2.84Å; E327-A329 VanDerWaalsContact O-N 3.13Å; A329-V347 HydrophobicContact CB-CG1 4.32Å; A329-V347 CarbonylContact O-C 3.56Å; A329-V347 WeakPolarHBondContact O-CA 3.15Å; A329-V348 WeakPolarHBondContact CB-O 3.38Å; A329-V348 PolarHBondContact O-N 3.29Å; A329-K354 HydrophobicContact CB-CB 3.83Å; A329-K354 HydrophobicContact CB-CG 4.39Å; A329-V355 WeakPolarHBondContact CA-O 3.37Å; A329-V355 WeakPolarHBondContact CB-O 3.25Å
330	V	97.6	Very high	94.5	Very high	10 Å²	10	41 Å²	41	6%	0.061	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	141	-178.9	179.5	0	0	0	0	110.9	H305 G326 D328 F332 K344 V347	H305-V330 PolarHBondContact CE1-O 3.31Å; H305-V330 VanDerWaalsContact CE1-O 3.29Å; G326-V330 PolarHBondContact N-O 2.86Å; D328-V330 HydrophobicContact CB-CG2 4.47Å; D328-V330 PolarHBondContact O-N 2.99Å; D328-V330 WeakPolarHBondContact OD1-CB 3.26Å; D328-V330 PolarHBondContact OD1-N 2.91Å; V330-F332 HydrophobicContact CB-CE2 4.41Å; V330-F332 HydrophobicContact CG1-CD1 4.09Å; V330-F332 HydrophobicContact CG1-CD2 3.91Å; V330-F332 HydrophobicContact CG1-CE1 3.95Å; V330-F332 HydrophobicContact CG1-CE2 3.75Å; V330-F332 HydrophobicContact CG1-CG 4.07Å; V330-F332 HydrophobicContact CG1-CZ 3.78Å; V330-K344 HydrophobicContact CG1-CG 3.88Å; V330-V347 HydrophobicContact CG2-CG2 4.46Å
331	V	98	Very high	94.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.8	156.1	-178.1	0	0	0	0	109	L323 S324 L345 V346 V348 L357 I360 F370 V372	L323-V331 HydrophobicContact CB-CG1 4.41Å; S324-V331 VanDerWaalsContact O-CA 3.31Å; S324-V331 WeakPolarHBondContact O-CA 3.17Å; V331-L345 HydrophobicContact CG1-CD1 4.37Å; V331-L345 PolarHBondContact O-N 3.21Å; V331-V346 HydrophobicContact CB-CG1 3.84Å; V331-V346 HydrophobicContact CG2-CG1 3.81Å; V331-V346 PolarHBondContact N-O 2.97Å; V331-V348 HydrophobicContact CG2-CG2 4.44Å; V331-L357 HydrophobicContact CG2-CD1 3.59Å; V331-I360 HydrophobicContact CG1-CD1 3.6Å; V331-I360 HydrophobicContact CG2-CD1 4.24Å; V331-F370 HydrophobicContact CG1-CE2 4.15Å; V331-F370 HydrophobicContact CG1-CZ 4.31Å; V331-F370 HydrophobicContact CG2-CE2 4.13Å; V331-V372 HydrophobicContact CG2-CG1 4.04Å
332	F	97.8	Very high	94	Very high	25 Å²	25	46 Å²	46	11%	0.11	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	141.1	168.7	-68.6	-70.9	0	0	0	110.7	A303 H305 L323 S324 V330 A342 N343 K344	A303-F332 HydrophobicContact CB-CD2 4.34Å; H305-F332 AromaticContact CD2-CD2 3.98Å; H305-F332 AromaticContact CE1-CD2 3.51Å; H305-F332 AromaticContact CE1-CE2 3.85Å; H305-F332 AromaticContact CG-CE2 3.98Å; H305-F332 AromaticContact ND1-CD2 3.98Å; H305-F332 AromaticContact ND1-CE2 3.83Å; H305-F332 AromaticContact NE2-CD2 3.5Å; L323-F332 CarbonylContact C-O 3.27Å; L323-F332 VanDerWaalsContact CA-O 3.25Å; L323-F332 WeakPolarHBondContact CA-O 3.49Å; S324-F332 PolarHBondContact N-O 3.03Å; S324-F332 PolarHBondContact O-N 3.42Å; V330-F332 HydrophobicContact CB-CE2 4.41Å; V330-F332 HydrophobicContact CG1-CD1 4.09Å; V330-F332 HydrophobicContact CG1-CD2 3.91Å; V330-F332 HydrophobicContact CG1-CE1 3.95Å; V330-F332 HydrophobicContact CG1-CE2 3.75Å; V330-F332 HydrophobicContact CG1-CG 4.07Å; V330-F332 HydrophobicContact CG1-CZ 3.78Å; F332-A342 HydrophobicContact CB-CB 4.18Å; F332-A342 HydrophobicContact CD1-CB 4.11Å; F332-A342 HydrophobicContact CG-CB 4.27Å; F332-N343 CarbonylContact C-O 3.55Å; F332-N343 VanDerWaalsContact CA-O 3.27Å; F332-N343 WeakPolarHBondContact CA-O 3.42Å; F332-K344 HydrophobicContact CD1-CB 4.3Å; F332-K344 HydrophobicContact CE1-CB 4.21Å
333	G	96.8	Very high	93.8	Very high	13 Å²	13	49.7 Å²	49.7	13%	0.134	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.4	162.8	0	0	0	0	0	110	N343	G333-N343 PolarHBondContact N-O 2.69Å; G333-N343 PolarHBondContact O-N 2.74Å
334	I	96.4	Very high	93.6	Very high	10 Å²	10	55 Å²	55	5%	0.051	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.1	-175.4	-63.4	159.7	0	0	0	107.9	I285 V302 A303 S321 F322 L336 A342	I285-I334 HydrophobicContact CB-CD1 4.19Å; I285-I334 HydrophobicContact CG1-CD1 4.33Å; I285-I334 HydrophobicContact CG2-CD1 3.7Å; V302-I334 HydrophobicContact CB-CG2 4.36Å; V302-I334 HydrophobicContact CG2-CD1 4.13Å; V302-I334 HydrophobicContact CG2-CG2 4.1Å; A303-I334 HydrophobicContact CB-CD1 4.11Å; A303-I334 HydrophobicContact CB-CG1 4.48Å; S321-I334 VanDerWaalsContact CA-O 3.3Å; S321-I334 WeakPolarHBondContact CA-O 3.1Å; F322-I334 HydrophobicContact CD1-CB 4.42Å; F322-I334 HydrophobicContact CD1-CG2 4.35Å; F322-I334 HydrophobicContact CD2-CD1 4.17Å; F322-I334 HydrophobicContact CE1-CB 4.17Å; F322-I334 HydrophobicContact CE1-CG2 3.71Å; F322-I334 HydrophobicContact CE2-CB 4.32Å; F322-I334 HydrophobicContact CE2-CD1 3.54Å; F322-I334 HydrophobicContact CE2-CG2 4.46Å; F322-I334 HydrophobicContact CZ-CB 4.12Å; F322-I334 HydrophobicContact CZ-CD1 3.84Å; F322-I334 HydrophobicContact CZ-CG2 3.78Å; F322-I334 PolarHBondContact N-O 3.08Å; F322-I334 PolarHBondContact O-N 3.33Å; I334-L336 HydrophobicContact CG2-CD2 3.71Å; I334-L336 HydrophobicContact CG2-CG 4.45Å; I334-A342 HydrophobicContact CG1-CB 3.71Å
335	D	94.8	Very high	93.4	Very high	37 Å²	37	56.5 Å²	56.5	20%	0.198	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	108.9	171.9	179.6	-14.6	0	0	0	108.2	C320 R337 L338	C320-D335 WeakPolarHBondContact O-CA 3.32Å; D335-R337 PolarHBondContact O-N 3.14Å; D335-R337 VanDerWaalsContact O-N 3.16Å; D335-R337 WeakPolarHBondContact OD1-CB 3.1Å; D335-R337 WeakPolarHBondContact OD1-CG 3.34Å; D335-R337 IonicContact OD1-CZ 3.88Å; D335-R337 PolarHBondContact OD1-N 2.99Å; D335-R337 IonicContact OD1-NE 2.66Å; D335-R337 PolarHBondContact OD1-NE 3.26Å; D335-R337 IonicContact OD1-NH2 3.81Å; D335-R337 IonicContact OD2-CZ 3.81Å; D335-R337 IonicContact OD2-NE 2.85Å; D335-R337 PolarHBondContact OD2-NE 2.93Å; D335-R337 IonicContact OD2-NH2 3.84Å; D335-R337 PolarHBondContact OD2-NH2 3.4Å; D335-L338 HydrophobicContact CB-CD1 3.91Å; D335-L338 HydrophobicContact CB-CG 4.14Å; D335-L338 PolarHBondContact O-N 3.07Å
336	L	93.4	Very high	93.3	Very high	60 Å²	60	56.4 Å²	56.4	31%	0.314	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-9.7	-172	-59.5	-177.9	0	0	0	114.5	L268 T275 V287 V302 C320 F322 I334 L338	L268-L336 HydrophobicContact CD1-CD1 3.6Å; T275-L336 HydrophobicContact CG2-CD1 4.14Å; V287-L336 HydrophobicContact CG1-CD1 4Å; V287-L336 HydrophobicContact CG2-CD1 4.08Å; V287-L336 HydrophobicContact CG2-CD2 3.92Å; V302-L336 HydrophobicContact CB-CD2 4.45Å; V302-L336 HydrophobicContact CG1-CD2 3.87Å; C320-L336 HydrophobicContact CB-CB 4.25Å; C320-L336 PolarHBondContact O-N 2.87Å; F322-L336 HydrophobicContact CE1-CD1 4.18Å; F322-L336 HydrophobicContact CE1-CD2 4.11Å; F322-L336 HydrophobicContact CE1-CG 4.14Å; I334-L336 HydrophobicContact CG2-CD2 3.71Å; I334-L336 HydrophobicContact CG2-CG 4.45Å; L336-L338 VanDerWaalsContact C-N 3.31Å
337	R	92.6	Very high	93.4	Very high	171 Å²	171	57.2 Å²	57.2	65%	0.645	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-16.8	175.2	-57.3	170	-65.2	-167.6	0.4	112.7	C320 D335	C320-R337 HydrophobicContact CB-CG 3.93Å; C320-R337 VanDerWaalsContact SG-CD 3.51Å; C320-R337 VanDerWaalsContact SG-CZ 3.55Å; C320-R337 PolarHBondContact SG-NE 2.79Å; D335-R337 PolarHBondContact O-N 3.14Å; D335-R337 VanDerWaalsContact O-N 3.16Å; D335-R337 WeakPolarHBondContact OD1-CB 3.1Å; D335-R337 WeakPolarHBondContact OD1-CG 3.34Å; D335-R337 IonicContact OD1-CZ 3.88Å; D335-R337 PolarHBondContact OD1-N 2.99Å; D335-R337 IonicContact OD1-NE 2.66Å; D335-R337 PolarHBondContact OD1-NE 3.26Å; D335-R337 IonicContact OD1-NH2 3.81Å; D335-R337 IonicContact OD2-CZ 3.81Å; D335-R337 IonicContact OD2-NE 2.85Å; D335-R337 PolarHBondContact OD2-NE 2.93Å; D335-R337 IonicContact OD2-NH2 3.84Å; D335-R337 PolarHBondContact OD2-NH2 3.4Å
338	L	90.4	Very high	93.4	Very high	68 Å²	68	53.5 Å²	53.5	36%	0.356	27%	0.267	S	S	.	.	S	Bend	trans	-108.1	119.2	-170	-51.6	179.4	0	0	0	109.3	D335 L336 R340	D335-L338 HydrophobicContact CB-CD1 3.91Å; D335-L338 HydrophobicContact CB-CG 4.14Å; D335-L338 PolarHBondContact O-N 3.07Å; L336-L338 VanDerWaalsContact C-N 3.31Å; L338-R340 HydrophobicContact CB-CG 3.92Å; L338-R340 VanDerWaalsContact CD1-NH2 3.3Å; L338-R340 PolarHBondContact O-N 2.79Å
339	D	82.8	Confident	93.3	Very high	156 Å²	156	54.9 Å²	54.9	83%	0.834	27%	0.271	S	S	*	.			trans	-79.3	42.5	178	-153.7	43.4	0	0	0	112.3	K300	K300-D339 IonicContact NZ-OD1 3.67Å; K300-D339 PolarHBondContact NZ-OD1 3.3Å
340	R	81.9	Confident	93	Very high	160 Å²	160	58.1 Å²	58.1	60%	0.604	29%	0.287	S	S	*	.	S	Bend	trans	-112.8	152.9	174.7	70.6	-179.4	176.4	176.3	-3.8	109.5	L338	L338-R340 HydrophobicContact CB-CG 3.92Å; L338-R340 VanDerWaalsContact CD1-NH2 3.3Å; L338-R340 PolarHBondContact O-N 2.79Å
341	P	84.1	Confident	92.6	Very high	116 Å²	116	60.7 Å²	60.7	75%	0.753	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-57.9	151.2	172.4	25.9	-35.5	0	0	0	111.4	N343	P341-N343 PolarHBondContact O-N 3.31Å
342	A	90.4	Very high	92.1	Very high	22 Å²	22	68.7 Å²	68.7	18%	0.182	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-51.6	134	178.7	0	0	0	0	0	112.1	A303 F332 I334 K344	A303-A342 HydrophobicContact CB-CB 3.61Å; F332-A342 HydrophobicContact CB-CB 4.18Å; F332-A342 HydrophobicContact CD1-CB 4.11Å; F332-A342 HydrophobicContact CG-CB 4.27Å; I334-A342 HydrophobicContact CG1-CB 3.71Å; A342-K344 PolarHBondContact O-N 3.38Å
343	N	92.6	Very high	91.8	Very high	81 Å²	81	75.4 Å²	75.4	43%	0.433	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	127.6	-175.6	-173.3	28.5	0	0	0	110	F332 G333 P341 L345	F332-N343 CarbonylContact C-O 3.55Å; F332-N343 VanDerWaalsContact CA-O 3.27Å; F332-N343 WeakPolarHBondContact CA-O 3.42Å; G333-N343 PolarHBondContact N-O 2.69Å; G333-N343 PolarHBondContact O-N 2.74Å; P341-N343 PolarHBondContact O-N 3.31Å; N343-L345 PolarHBondContact O-N 2.74Å
344	K	94.8	Very high	91.8	Very high	120 Å²	120	81.9 Å²	81.9	52%	0.522	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	108.8	172.2	-175	-171.4	-64.2	171.8	0	108.3	V330 F332 A342 V347	V330-K344 HydrophobicContact CG1-CG 3.88Å; F332-K344 HydrophobicContact CD1-CB 4.3Å; F332-K344 HydrophobicContact CE1-CB 4.21Å; A342-K344 PolarHBondContact O-N 3.38Å; K344-V347 HydrophobicContact CD-CG2 3.9Å
345	L	94.4	Very high	91.7	Very high	31 Å²	31	81.7 Å²	81.7	16%	0.162	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-46.3	-177.4	-68.7	178.7	0	0	0	112.1	L323 V331 N343 I387	L323-L345 HydrophobicContact CD1-CD1 4.48Å; L323-L345 HydrophobicContact CD2-CD1 3.54Å; V331-L345 HydrophobicContact CG1-CD1 4.37Å; V331-L345 PolarHBondContact O-N 3.21Å; N343-L345 PolarHBondContact O-N 2.74Å; L345-I387 HydrophobicContact CB-CD1 4.08Å
346	V	96.2	Very high	91.8	Very high	0 Å²	0	80.3 Å²	80.3	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	152.4	179.3	61.5	0	0	0	0	111	V331 V348 F370 Y382 I387	V331-V346 HydrophobicContact CB-CG1 3.84Å; V331-V346 HydrophobicContact CG2-CG1 3.81Å; V331-V346 PolarHBondContact N-O 2.97Å; V346-V348 HydrophobicContact CG1-CG2 4.11Å; V346-F370 HydrophobicContact CG1-CZ 4.19Å; V346-Y382 HydrophobicContact CG1-CE1 4.43Å; V346-Y382 HydrophobicContact CG2-CE1 3.84Å; V346-I387 HydrophobicContact CB-CD1 4.32Å; V346-I387 HydrophobicContact CB-CG2 3.92Å; V346-I387 HydrophobicContact CG2-CG2 4.01Å
347	V	96.5	Very high	91.9	Very high	17 Å²	17	77.5 Å²	77.5	10%	0.103	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	110.8	161.2	-175.3	0	0	0	0	107.3	A329 V330 K344 K354 N393	A329-V347 HydrophobicContact CB-CG1 4.32Å; A329-V347 CarbonylContact O-C 3.56Å; A329-V347 WeakPolarHBondContact O-CA 3.15Å; V330-V347 HydrophobicContact CG2-CG2 4.46Å; K344-V347 HydrophobicContact CD-CG2 3.9Å; V347-K354 HydrophobicContact CG1-CD 4.32Å; V347-K354 HydrophobicContact CG1-CG 4.31Å; V347-N393 PolarHBondContact O-ND2 3.43Å; V347-N393 PolarHBondContact O-OD1 2.95Å
348	V	96.4	Very high	92.1	Very high	0 Å²	0	71 Å²	71	0%	0	37%	0.367	C	S	.	.			trans	-73.3	134.6	-175.2	-174.4	0	0	0	0	110.3	A329 V331 V346 V355 L357 V372 Y382	A329-V348 WeakPolarHBondContact CB-O 3.38Å; A329-V348 PolarHBondContact O-N 3.29Å; V331-V348 HydrophobicContact CG2-CG2 4.44Å; V346-V348 HydrophobicContact CG1-CG2 4.11Å; V348-V355 HydrophobicContact CG1-CB 4.12Å; V348-V355 PolarHBondContact O-N 3.12Å; V348-V355 VanDerWaalsContact O-N 3.07Å; V348-L357 HydrophobicContact CB-CD1 4.47Å; V348-L357 HydrophobicContact CB-CD2 4.08Å; V348-L357 HydrophobicContact CG1-CD2 4.18Å; V348-L357 HydrophobicContact CG2-CD1 3.81Å; V348-L357 HydrophobicContact CG2-CD2 4.08Å; V348-L357 HydrophobicContact CG2-CG 4.4Å; V348-V372 HydrophobicContact CG2-CG2 4.17Å; V348-Y382 HydrophobicContact CG2-CE2 4.28Å
349	K	94.4	Very high	92.4	Very high	55 Å²	55	67.8 Å²	67.8	24%	0.239	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	156.7	-173.8	-57.8	166.9	-162.7	147.8	0	110.6	G351 K353 E389 N393	K349-G351 WeakPolarHBondContact CB-O 3.48Å; K349-K353 CarbonylContact C-O 3.59Å; K349-K353 WeakPolarHBondContact CA-O 3.13Å; K349-K353 WeakPolarHBondContact CB-O 3.38Å; K349-E389 IonicContact NZ-OE2 3.77Å; K349-E389 PolarHBondContact NZ-OE2 3.19Å; K349-N393 PolarHBondContact N-ND2 3.12Å; K349-N393 PolarHBondContact NZ-OD1 2.92Å
350	E	91.9	Very high	93.1	Very high	68 Å²	68	60.4 Å²	60.4	32%	0.318	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	105.4	166.3	-173.1	57.7	-156.3	0	0	107.5	D352 K353 V355 R380 K398	E350-D352 PolarHBondContact O-N 2.87Å; E350-K353 PolarHBondContact N-O 2.76Å; E350-K353 PolarHBondContact O-N 3.38Å; E350-K353 VanDerWaalsContact O-N 3.12Å; E350-V355 HydrophobicContact CB-CG2 3.87Å; E350-R380 IonicContact OE2-CZ 3.92Å; E350-R380 IonicContact OE2-NE 3.21Å; E350-R380 IonicContact OE2-NH2 2.65Å; E350-R380 PolarHBondContact OE2-NH2 2.95Å; E350-K398 IonicContact OE1-NZ 3.65Å; E350-K398 PolarHBondContact OE1-NZ 3.46Å; E350-K398 IonicContact OE2-NZ 2.78Å; E350-K398 PolarHBondContact OE2-NZ 2.91Å
351	G	87.8	Confident	93.9	Very high	64 Å²	64	55.4 Å²	55.4	66%	0.66	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	-132.7	-158.3	0	0	0	0	0	110.6	K349 K353	K349-G351 WeakPolarHBondContact CB-O 3.48Å; G351-K353 VanDerWaalsContact C-N 3.33Å
352	D	87.3	Confident	94.5	Very high	168 Å²	168	50.1 Å²	50.1	90%	0.898	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-10.8	175.8	-58.4	-65.1	0	0	0	114.1	E350	E350-D352 PolarHBondContact O-N 2.87Å
353	K	92.5	Very high	94.9	Very high	166 Å²	166	49 Å²	49	72%	0.722	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	132	-176.3	-62.7	-179.7	-177.3	175.5	0	110.4	K349 E350 G351	K349-K353 CarbonylContact C-O 3.59Å; K349-K353 WeakPolarHBondContact CA-O 3.13Å; K349-K353 WeakPolarHBondContact CB-O 3.38Å; E350-K353 PolarHBondContact N-O 2.76Å; E350-K353 PolarHBondContact O-N 3.38Å; E350-K353 VanDerWaalsContact O-N 3.12Å; G351-K353 VanDerWaalsContact C-N 3.33Å
354	K	95.4	Very high	95	Very high	150 Å²	150	47.1 Å²	47.1	65%	0.652	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75	139	171.8	-71	-179.3	-175.9	173.8	0	111	A329 V347	A329-K354 HydrophobicContact CB-CB 3.83Å; A329-K354 HydrophobicContact CB-CG 4.39Å; V347-K354 HydrophobicContact CG1-CD 4.32Å; V347-K354 HydrophobicContact CG1-CG 4.31Å
355	V	95.5	Very high	95	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.03	24%	0.243	C	C	.	.			trans	-108.4	103.3	179.2	-176.4	0	0	0	0	109	A329 V348 E350 L357 D376	A329-V355 WeakPolarHBondContact CA-O 3.37Å; A329-V355 WeakPolarHBondContact CB-O 3.25Å; V348-V355 HydrophobicContact CG1-CB 4.12Å; V348-V355 PolarHBondContact O-N 3.12Å; V348-V355 VanDerWaalsContact O-N 3.07Å; E350-V355 HydrophobicContact CB-CG2 3.87Å; V355-L357 WeakPolarHBondContact O-CD2 3.31Å; V355-D376 HydrophobicContact CG1-CB 4.28Å; V355-D376 WeakPolarHBondContact CG1-OD2 3.36Å; V355-D376 VanDerWaalsContact CG2-OD2 3.24Å; V355-D376 WeakPolarHBondContact CG2-OD2 3.39Å
356	G	95.9	Very high	95	Very high	9 Å²	9	46.5 Å²	46.5	9%	0.093	25%	0.25	C	S	.	.			trans	-62	135.1	176.6	0	0	0	0	0	111.1	E327 G374 R375	E327-G356 WeakPolarHBondContact O-CA 3.44Å; G356-G374 CarbonylContact O-C 3.47Å; G356-G374 WeakPolarHBondContact O-CA 3.08Å; G356-R375 PolarHBondContact O-N 3.28Å
357	L	96.9	Very high	94.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.9	-169.3	-56.5	177.8	0	0	0	112.2	A325 G326 V331 V348 V355 V372	A325-L357 HydrophobicContact CB-CB 3.93Å; A325-L357 HydrophobicContact CB-CD1 3.83Å; G326-L357 CarbonylContact C-O 3.52Å; G326-L357 WeakPolarHBondContact O-CB 3.3Å; G326-L357 PolarHBondContact O-N 2.74Å; V331-L357 HydrophobicContact CG2-CD1 3.59Å; V348-L357 HydrophobicContact CB-CD1 4.47Å; V348-L357 HydrophobicContact CB-CD2 4.08Å; V348-L357 HydrophobicContact CG1-CD2 4.18Å; V348-L357 HydrophobicContact CG2-CD1 3.81Å; V348-L357 HydrophobicContact CG2-CD2 4.08Å; V348-L357 HydrophobicContact CG2-CG 4.4Å; V355-L357 WeakPolarHBondContact O-CD2 3.31Å; L357-V372 HydrophobicContact CD1-CB 4.39Å; L357-V372 HydrophobicContact CD1-CG1 4.32Å; L357-V372 HydrophobicContact CD2-CB 4.17Å; L357-V372 HydrophobicContact CD2-CG2 4.27Å
358	Y	95.4	Very high	94.7	Very high	36 Å²	36	50 Å²	50	14%	0.141	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-22.2	173.2	-54.8	-44.9	0	0	0	111.8	H310 E327 G373 G374 R375 N412	H310-Y358 VanDerWaalsContact CB-O 3.28Å; H310-Y358 WeakPolarHBondContact CB-O 3.46Å; H310-Y358 AromaticContact CD2-CD1 3.72Å; H310-Y358 AromaticContact NE2-CD1 3.67Å; E327-Y358 HydrophobicContact CG-CE1 4.28Å; Y358-G373 PolarHBondContact N-O 3.49Å; Y358-G374 VanDerWaalsContact CD2-C 3.5Å; Y358-G374 VanDerWaalsContact CD2-CA 3.46Å; Y358-R375 HydrophobicContact CE2-CB 4.05Å; Y358-N412 HydrophobicContact CE2-CB 4.28Å
359	T	96.9	Very high	94.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	143.1	-175.3	174.1	0	0	0	0	114.1	K311 V372 G373 I413 L416	K311-T359 WeakPolarHBondContact CD-OG1 3.32Å; K311-T359 PolarHBondContact NZ-OG1 3.3Å; T359-V372 VanDerWaalsContact O-CA 3.31Å; T359-V372 WeakPolarHBondContact O-CA 3.21Å; T359-G373 WeakPolarHBondContact CG2-O 2.74Å; T359-G373 PolarHBondContact N-O 3.27Å; T359-G373 PolarHBondContact O-N 2.97Å; T359-I413 HydrophobicContact CG2-CG2 3.94Å; T359-L416 HydrophobicContact CG2-CB 4.06Å; T359-L416 HydrophobicContact CG2-CD1 3.92Å; T359-L416 HydrophobicContact CG2-CG 3.98Å; T359-L416 PolarHBondContact OG1-N 2.86Å
360	I	98.2	Very high	94.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	152.2	169.3	-174.3	162.6	0	0	0	110.2	K311 A313 L323 A325 V331 F370 A371 V372	K311-I360 HydrophobicContact CB-CG2 4.26Å; K311-I360 PolarHBondContact NZ-O 3.1Å; K311-I360 WeakPolarHBondContact O-CG2 3.27Å; A313-I360 HydrophobicContact CB-CB 4.4Å; A313-I360 HydrophobicContact CB-CG1 3.9Å; A313-I360 HydrophobicContact CB-CG2 3.96Å; L323-I360 HydrophobicContact CB-CD1 3.78Å; L323-I360 HydrophobicContact CD1-CD1 3.99Å; A325-I360 HydrophobicContact CB-CB 3.78Å; A325-I360 HydrophobicContact CB-CD1 4.31Å; A325-I360 HydrophobicContact CB-CG2 3.68Å; V331-I360 HydrophobicContact CG1-CD1 3.6Å; V331-I360 HydrophobicContact CG2-CD1 4.24Å; I360-F370 HydrophobicContact CD1-CD2 3.73Å; I360-F370 HydrophobicContact CD1-CE2 4.16Å; I360-F370 HydrophobicContact CD1-CG 4.44Å; I360-F370 HydrophobicContact CG1-CD2 4.07Å; I360-A371 CarbonylContact C-O 3.19Å; I360-A371 VanDerWaalsContact CA-O 3.28Å; I360-A371 WeakPolarHBondContact CA-O 3.25Å; I360-V372 HydrophobicContact CB-CG1 4.09Å; I360-V372 HydrophobicContact CD1-CG1 3.93Å; I360-V372 HydrophobicContact CG1-CG1 3.84Å
361	F	98.1	Very high	95.2	Very high	55 Å²	55	45.6 Å²	45.6	24%	0.241	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	134.9	170.1	-149.9	-81	0	0	0	110.8	F370 A371 V417 Y418	F361-F370 CarbonylContact O-C 3.43Å; F361-F370 VanDerWaalsContact O-CA 3.3Å; F361-F370 WeakPolarHBondContact O-CA 3.41Å; F361-F370 WeakPolarHBondContact O-CB 3.32Å; F361-A371 PolarHBondContact N-O 3.29Å; F361-A371 PolarHBondContact O-N 2.9Å; F361-V417 HydrophobicContact CD2-CB 4.33Å; F361-V417 HydrophobicContact CD2-CG1 4.36Å; F361-V417 HydrophobicContact CD2-CG2 4.1Å; F361-V417 HydrophobicContact CE2-CB 4.29Å; F361-V417 HydrophobicContact CE2-CG1 3.86Å; F361-V417 HydrophobicContact CE2-CG2 4.06Å; F361-V417 HydrophobicContact CZ-CG1 4.01Å; F361-Y418 HydrophobicContact CB-CD2 4.33Å; F361-Y418 AromaticContact CD1-CD2 3.96Å; F361-Y418 HydrophobicContact CD1-CD2 3.96Å; F361-Y418 HydrophobicContact CD1-CG 4.49Å
362	V	97.9	Very high	95.7	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.03	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	137.1	175.9	164.6	0	0	0	0	109.6	A313 L323 P364 T367 F370	A313-V362 HydrophobicContact CB-CB 4.42Å; A313-V362 HydrophobicContact CB-CG2 3.86Å; L323-V362 HydrophobicContact CD1-CG2 3.8Å; L323-V362 HydrophobicContact CG-CG2 4.19Å; V362-P364 WeakPolarHBondContact O-CD 3.4Å; V362-T367 WeakPolarHBondContact CG1-O 3.21Å; V362-F370 HydrophobicContact CG2-CB 4.1Å
363	N	97.3	Very high	96.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.173	C	C	.	.			trans	-68.8	119.3	179.5	-174.6	-59.6	0	0	0	110.3	A365 K366 T367 Q369 Y418 G422	N363-A365 VanDerWaalsContact C-N 3.3Å; N363-A365 PolarHBondContact O-N 3.45Å; N363-A365 PolarHBondContact OD1-N 3.07Å; N363-A365 VanDerWaalsContact OD1-N 3.13Å; N363-K366 HydrophobicContact CB-CB 4.13Å; N363-K366 CarbonylContact O-C 3.56Å; N363-K366 PolarHBondContact O-N 2.96Å; N363-K366 VanDerWaalsContact O-N 3.16Å; N363-K366 WeakPolarHBondContact OD1-CB 3.31Å; N363-K366 PolarHBondContact OD1-N 3.11Å; N363-T367 WeakPolarHBondContact O-CA 3.5Å; N363-T367 PolarHBondContact O-N 3.27Å; N363-Q369 HydrophobicContact CB-CB 4.22Å; N363-Q369 WeakPolarHBondContact CB-O 3.48Å; N363-Q369 PolarHBondContact N-O 3.2Å; N363-Y418 HydrophobicContact CB-CD2 4.09Å; N363-Y418 HydrophobicContact CB-CE1 4.3Å; N363-Y418 HydrophobicContact CB-CE2 3.82Å; N363-Y418 HydrophobicContact CB-CG 4.42Å; N363-Y418 WeakPolarHBondContact ND2-CD1 3.43Å; N363-Y418 WeakPolarHBondContact ND2-CE1 3.28Å; N363-G422 PolarHBondContact ND2-O 3.34Å; N363-G422 WeakPolarHBondContact OD1-CA 3.24Å
364	P	95	Very high	96.2	Very high	41 Å²	41	26.7 Å²	26.7	27%	0.266	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-22.1	-169.8	26.5	-34.2	0	0	0	114.2	P316 V362 S419	P316-P364 HydrophobicContact CG-CB 4.42Å; V362-P364 WeakPolarHBondContact O-CD 3.4Å; P364-S419 WeakPolarHBondContact CG-O 3.43Å
365	A	94.6	Very high	96.1	Very high	66 Å²	66	26.7 Å²	26.7	55%	0.545	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-10.1	174.8	0	0	0	0	0	113.4	N363 D421	N363-A365 VanDerWaalsContact C-N 3.3Å; N363-A365 PolarHBondContact O-N 3.45Å; N363-A365 PolarHBondContact OD1-N 3.07Å; N363-A365 VanDerWaalsContact OD1-N 3.13Å; A365-D421 WeakPolarHBondContact CB-O 3.3Å
366	K	94.7	Very high	96	Very high	72 Å²	72	27.2 Å²	27.2	31%	0.313	14%	0.137	S	C	.	.			trans	-139	64.6	-176	-56.4	169.2	-172	161.1	0	108.6	N363 Q368 Q369 N440	N363-K366 HydrophobicContact CB-CB 4.13Å; N363-K366 CarbonylContact O-C 3.56Å; N363-K366 PolarHBondContact O-N 2.96Å; N363-K366 VanDerWaalsContact O-N 3.16Å; N363-K366 WeakPolarHBondContact OD1-CB 3.31Å; N363-K366 PolarHBondContact OD1-N 3.11Å; K366-Q368 PolarHBondContact O-N 3.25Å; K366-Q369 HydrophobicContact CB-CB 4.43Å; K366-Q369 WeakPolarHBondContact O-CB 3.35Å; K366-Q369 PolarHBondContact O-N 2.83Å; K366-N440 PolarHBondContact NZ-OD1 3.44Å
367	T	93.7	Very high	95.8	Very high	27 Å²	27	28.5 Å²	28.5	17%	0.166	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-28	-169.5	67.2	0	0	0	0	115.1	E315 V362 N363 Q369 Q384	E315-T367 HydrophobicContact CG-CG2 4.43Å; E315-T367 PolarHBondContact OE1-OG1 2.9Å; V362-T367 WeakPolarHBondContact CG1-O 3.21Å; N363-T367 WeakPolarHBondContact O-CA 3.5Å; N363-T367 PolarHBondContact O-N 3.27Å; T367-Q369 PolarHBondContact O-N 3.45Å; T367-Q384 PolarHBondContact O-NE2 2.97Å; T367-Q384 VanDerWaalsContact O-NE2 3.16Å
368	Q	93.3	Very high	95.8	Very high	64 Å²	64	30.2 Å²	30.2	30%	0.299	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-7.1	174.4	-56.3	-58.5	-74.3	0	0	113.9	K366 D383 Q384	K366-Q368 PolarHBondContact O-N 3.25Å; Q368-D383 CarbonylContact O-C 3.55Å; Q368-D383 WeakPolarHBondContact O-CA 3.35Å; Q368-Q384 WeakPolarHBondContact O-CG 3.47Å; Q368-Q384 PolarHBondContact O-N 2.74Å
369	Q	96.3	Very high	95.9	Very high	30 Å²	30	28.5 Å²	28.5	14%	0.14	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	142.7	177.8	-66.1	-178	-5.9	0	0	111.4	N363 K366 T367 Y382 D383	N363-Q369 HydrophobicContact CB-CB 4.22Å; N363-Q369 WeakPolarHBondContact CB-O 3.48Å; N363-Q369 PolarHBondContact N-O 3.2Å; K366-Q369 HydrophobicContact CB-CB 4.43Å; K366-Q369 WeakPolarHBondContact O-CB 3.35Å; K366-Q369 PolarHBondContact O-N 2.83Å; T367-Q369 PolarHBondContact O-N 3.45Å; Q369-Y382 WeakPolarHBondContact CA-O 3.03Å; Q369-Y382 WeakPolarHBondContact CB-O 3.34Å; Q369-D383 HydrophobicContact CG-CB 4.03Å; Q369-D383 PolarHBondContact NE2-OD2 3.48Å
370	F	97.7	Very high	95.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	151.2	175.6	66.7	-87.2	0	0	0	110.7	L323 V331 V346 I360 F361 V362 V372 I381 Y382 Q384 I387	L323-F370 HydrophobicContact CD1-CB 3.97Å; L323-F370 HydrophobicContact CD1-CD1 3.78Å; L323-F370 HydrophobicContact CD1-CD2 4.31Å; L323-F370 HydrophobicContact CD1-CE1 4.35Å; L323-F370 HydrophobicContact CD1-CG 3.76Å; V331-F370 HydrophobicContact CG1-CE2 4.15Å; V331-F370 HydrophobicContact CG1-CZ 4.31Å; V331-F370 HydrophobicContact CG2-CE2 4.13Å; V346-F370 HydrophobicContact CG1-CZ 4.19Å; I360-F370 HydrophobicContact CD1-CD2 3.73Å; I360-F370 HydrophobicContact CD1-CE2 4.16Å; I360-F370 HydrophobicContact CD1-CG 4.44Å; I360-F370 HydrophobicContact CG1-CD2 4.07Å; F361-F370 CarbonylContact O-C 3.43Å; F361-F370 VanDerWaalsContact O-CA 3.3Å; F361-F370 WeakPolarHBondContact O-CA 3.41Å; F361-F370 WeakPolarHBondContact O-CB 3.32Å; V362-F370 HydrophobicContact CG2-CB 4.1Å; F370-V372 HydrophobicContact CD2-CG1 3.77Å; F370-V372 HydrophobicContact CE2-CG1 3.76Å; F370-I381 WeakPolarHBondContact O-CA 3.22Å; F370-Y382 HydrophobicContact CD2-CD2 4.47Å; F370-Y382 HydrophobicContact CE1-CG 4.39Å; F370-Y382 AromaticContact CE2-CD2 3.77Å; F370-Y382 HydrophobicContact CE2-CD2 3.77Å; F370-Y382 HydrophobicContact CE2-CG 4.02Å; F370-Y382 VanDerWaalsContact CZ-CB 3.44Å; F370-Y382 HydrophobicContact CZ-CD2 4.04Å; F370-Y382 AromaticContact CZ-CG 3.79Å; F370-Y382 HydrophobicContact CZ-CG 3.79Å; F370-Y382 PolarHBondContact N-O 2.97Å; F370-Y382 VanDerWaalsContact N-O 3.08Å; F370-Y382 PolarHBondContact O-N 3.36Å; F370-Q384 HydrophobicContact CD1-CG 3.69Å; F370-Q384 HydrophobicContact CE1-CG 3.74Å; F370-I387 HydrophobicContact CE1-CD1 4.23Å; F370-I387 HydrophobicContact CZ-CD1 4.3Å
371	A	98.4	Very high	95.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	144.1	174.4	0	0	0	0	0	110.5	I360 F361 R380 I381 Y418 L425	I360-A371 CarbonylContact C-O 3.19Å; I360-A371 VanDerWaalsContact CA-O 3.28Å; I360-A371 WeakPolarHBondContact CA-O 3.25Å; F361-A371 PolarHBondContact N-O 3.29Å; F361-A371 PolarHBondContact O-N 2.9Å; A371-R380 CarbonylContact C-O 3.59Å; A371-R380 VanDerWaalsContact CA-O 3.28Å; A371-R380 WeakPolarHBondContact CA-O 3.21Å; A371-I381 HydrophobicContact CB-CG1 4.32Å; A371-Y418 HydrophobicContact CB-CD2 4.48Å; A371-Y418 HydrophobicContact CB-CE2 3.59Å; A371-L425 HydrophobicContact CB-CD1 4Å; A371-L425 HydrophobicContact CB-CD2 3.64Å; A371-L425 HydrophobicContact CB-CG 4.5Å
372	V	98.4	Very high	95.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	157.1	173.4	-61.1	0	0	0	0	111.9	V331 V348 L357 T359 I360 F370 R380 Y382 L416	V331-V372 HydrophobicContact CG2-CG1 4.04Å; V348-V372 HydrophobicContact CG2-CG2 4.17Å; L357-V372 HydrophobicContact CD1-CB 4.39Å; L357-V372 HydrophobicContact CD1-CG1 4.32Å; L357-V372 HydrophobicContact CD2-CB 4.17Å; L357-V372 HydrophobicContact CD2-CG2 4.27Å; T359-V372 VanDerWaalsContact O-CA 3.31Å; T359-V372 WeakPolarHBondContact O-CA 3.21Å; I360-V372 HydrophobicContact CB-CG1 4.09Å; I360-V372 HydrophobicContact CD1-CG1 3.93Å; I360-V372 HydrophobicContact CG1-CG1 3.84Å; F370-V372 HydrophobicContact CD2-CG1 3.77Å; F370-V372 HydrophobicContact CE2-CG1 3.76Å; V372-R380 HydrophobicContact CG2-CB 3.96Å; V372-R380 PolarHBondContact N-O 2.88Å; V372-R380 PolarHBondContact O-N 3.42Å; V372-Y382 HydrophobicContact CG2-CD2 4.06Å; V372-Y382 HydrophobicContact CG2-CE2 3.63Å; V372-L416 VanDerWaalsContact O-CD1 3.32Å; V372-L416 WeakPolarHBondContact O-CD1 3.4Å
373	G	96.9	Very high	95.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	161.3	175.4	0	0	0	0	0	110.3	Y358 T359	Y358-G373 PolarHBondContact N-O 3.49Å; T359-G373 WeakPolarHBondContact CG2-O 2.74Å; T359-G373 PolarHBondContact N-O 3.27Å; T359-G373 PolarHBondContact O-N 2.97Å
374	G	94.4	Very high	95.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.7	-127.7	-176.3	0	0	0	0	0	112.3	G356 Y358 D376 N412 I413	G356-G374 CarbonylContact O-C 3.47Å; G356-G374 WeakPolarHBondContact O-CA 3.08Å; Y358-G374 VanDerWaalsContact CD2-C 3.5Å; Y358-G374 VanDerWaalsContact CD2-CA 3.46Å; G374-D376 PolarHBondContact O-N 3.42Å; G374-D376 VanDerWaalsContact O-O 3.14Å; G374-N412 CarbonylContact O-C 3.6Å; G374-N412 WeakPolarHBondContact O-CA 3.28Å; G374-N412 WeakPolarHBondContact O-CB 3.49Å; G374-I413 PolarHBondContact O-N 3.29Å
375	R	92.6	Very high	95.4	Very high	151 Å²	151	34.5 Å²	34.5	57%	0.57	16%	0.159	S	C	*	.	S	Bend	trans	-76.2	42.5	-173.4	-158.6	176.1	176.6	152.2	0.4	114.5	G356 Y358 N412	G356-R375 PolarHBondContact O-N 3.28Å; Y358-R375 HydrophobicContact CE2-CB 4.05Å; R375-N412 WeakPolarHBondContact CA-OD1 3.49Å
376	D	92.6	Very high	95.2	Very high	15 Å²	15	38.3 Å²	38.3	8%	0.08	16%	0.163	C	C	.	.	S	Bend	trans	-161.5	177.7	162.3	68.6	18.9	0	0	0	111.1	V355 G374 Y378 R380 T411 N412 I413	V355-D376 HydrophobicContact CG1-CB 4.28Å; V355-D376 WeakPolarHBondContact CG1-OD2 3.36Å; V355-D376 VanDerWaalsContact CG2-OD2 3.24Å; V355-D376 WeakPolarHBondContact CG2-OD2 3.39Å; G374-D376 PolarHBondContact O-N 3.42Å; G374-D376 VanDerWaalsContact O-O 3.14Å; D376-Y378 VanDerWaalsContact C-N 3.27Å; D376-Y378 HydrophobicContact CB-CD2 4.49Å; D376-Y378 PolarHBondContact O-N 3.2Å; D376-Y378 PolarHBondContact OD1-N 3.05Å; D376-R380 VanDerWaalsContact CG-NH1 3.33Å; D376-R380 IonicContact OD1-CZ 3.53Å; D376-R380 IonicContact OD1-NH1 3.6Å; D376-R380 PolarHBondContact OD1-NH1 3.06Å; D376-R380 IonicContact OD1-NH2 2.75Å; D376-R380 IonicContact OD2-CZ 3.82Å; D376-R380 VanDerWaalsContact OD2-CZ 3.26Å; D376-R380 IonicContact OD2-NH1 2.78Å; D376-R380 PolarHBondContact OD2-NH1 3.15Å; D376-R380 IonicContact OD2-NH2 2.62Å; D376-R380 PolarHBondContact OD2-NH2 3.3Å; D376-T411 CarbonylContact C-O 3.5Å; D376-T411 VanDerWaalsContact C-O 3.27Å; D376-N412 WeakPolarHBondContact O-CA 3.3Å; D376-I413 PolarHBondContact O-N 2.86Å
377	Q	93.4	Very high	95	Very high	36 Å²	36	36.8 Å²	36.8	17%	0.168	16%	0.158	C	C	.	.	S	Bend	trans	-80.3	3.7	-177	67.9	-92.6	74.9	0	0	114.8	C400 L404 T411 Y429	Q377-C400 WeakPolarHBondContact CG-SG 3.36Å; Q377-L404 PolarHBondContact NE2-O 2.84Å; Q377-T411 PolarHBondContact N-O 2.91Å; Q377-Y429 HydrophobicContact CB-CE1 4.01Å; Q377-Y429 VanDerWaalsContact O-CE1 3.3Å; Q377-Y429 WeakPolarHBondContact O-CE1 3.49Å; Q377-Y429 PolarHBondContact O-OH 3.43Å
378	Y	95.8	Very high	94.4	Very high	37 Å²	37	38 Å²	38	15%	0.145	16%	0.163	C	C	.	.			trans	-108.7	110	-164.9	-67.9	-69.6	0	0	0	114.3	D376 R380 K398 C400	D376-Y378 VanDerWaalsContact C-N 3.27Å; D376-Y378 HydrophobicContact CB-CD2 4.49Å; D376-Y378 PolarHBondContact O-N 3.2Å; D376-Y378 PolarHBondContact OD1-N 3.05Å; Y378-R380 PolarHBondContact O-N 3.08Å; Y378-R380 PolarHBondContact O-NH1 3.17Å; Y378-K398 HydrophobicContact CD1-CD 4.05Å; Y378-K398 HydrophobicContact CD1-CG 3.76Å; Y378-K398 HydrophobicContact CE1-CD 4.49Å; Y378-K398 HydrophobicContact CG-CD 4.37Å; Y378-K398 HydrophobicContact CG-CG 4.24Å; Y378-C400 HydrophobicContact CD1-CB 3.56Å; Y378-C400 HydrophobicContact CE1-CB 3.66Å
379	V	97.6	Very high	93.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	119.8	168.2	-176	0	0	0	0	108.3	K398 F399 I413 L416 L425 A427 F437	V379-K398 CarbonylContact O-C 3.57Å; V379-K398 WeakPolarHBondContact O-CA 3.49Å; V379-F399 HydrophobicContact CB-CB 4.28Å; V379-F399 PolarHBondContact N-O 2.99Å; V379-F399 PolarHBondContact O-N 2.96Å; V379-I413 HydrophobicContact CB-CD1 4.37Å; V379-I413 HydrophobicContact CG2-CD1 3.65Å; V379-I413 HydrophobicContact CG2-CG1 4.47Å; V379-I413 VanDerWaalsContact N-CD1 3.33Å; V379-L416 HydrophobicContact CB-CD2 4.4Å; V379-L416 HydrophobicContact CG1-CD1 4.03Å; V379-L416 HydrophobicContact CG1-CD2 3.63Å; V379-L416 HydrophobicContact CG2-CD2 3.9Å; V379-L425 HydrophobicContact CG1-CD2 3.52Å; V379-L425 HydrophobicContact CG1-CG 4.32Å; V379-A427 HydrophobicContact CG2-CB 3.92Å; V379-F437 HydrophobicContact CG2-CD2 4.43Å; V379-F437 HydrophobicContact CG2-CE2 3.98Å
380	R	97.6	Very high	93.1	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.3	-179.1	-67.1	173.9	-176.4	83.9	-4.9	111.1	E350 A371 V372 D376 Y378 Y382 V395 K397	E350-R380 IonicContact OE2-CZ 3.92Å; E350-R380 IonicContact OE2-NE 3.21Å; E350-R380 IonicContact OE2-NH2 2.65Å; E350-R380 PolarHBondContact OE2-NH2 2.95Å; A371-R380 CarbonylContact C-O 3.59Å; A371-R380 VanDerWaalsContact CA-O 3.28Å; A371-R380 WeakPolarHBondContact CA-O 3.21Å; V372-R380 HydrophobicContact CG2-CB 3.96Å; V372-R380 PolarHBondContact N-O 2.88Å; V372-R380 PolarHBondContact O-N 3.42Å; D376-R380 VanDerWaalsContact CG-NH1 3.33Å; D376-R380 IonicContact OD1-CZ 3.53Å; D376-R380 IonicContact OD1-NH1 3.6Å; D376-R380 PolarHBondContact OD1-NH1 3.06Å; D376-R380 IonicContact OD1-NH2 2.75Å; D376-R380 IonicContact OD2-CZ 3.82Å; D376-R380 VanDerWaalsContact OD2-CZ 3.26Å; D376-R380 IonicContact OD2-NH1 2.78Å; D376-R380 PolarHBondContact OD2-NH1 3.15Å; D376-R380 IonicContact OD2-NH2 2.62Å; D376-R380 PolarHBondContact OD2-NH2 3.3Å; Y378-R380 PolarHBondContact O-N 3.08Å; Y378-R380 PolarHBondContact O-NH1 3.17Å; R380-Y382 HydrophobicContact CB-CD2 4.37Å; R380-Y382 HydrophobicContact CB-CE2 3.75Å; R380-V395 HydrophobicContact CB-CG1 4.4Å; R380-V395 HydrophobicContact CG-CG1 4.37Å; R380-V395 HydrophobicContact CG-CG2 4.36Å; R380-K397 WeakPolarHBondContact CA-O 3.46Å
381	I	97.7	Very high	92.3	Very high	3 Å²	3	52 Å²	52	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.7	172.3	-57.6	177.9	0	0	0	108.6	F370 A371 L396 K397 F399 Y418 L425	F370-I381 WeakPolarHBondContact O-CA 3.22Å; A371-I381 HydrophobicContact CB-CG1 4.32Å; I381-L396 WeakPolarHBondContact O-CB 3.25Å; I381-L396 PolarHBondContact O-N 3.27Å; I381-K397 HydrophobicContact CB-CB 4.26Å; I381-K397 HydrophobicContact CD1-CB 4.45Å; I381-K397 PolarHBondContact N-O 3.45Å; I381-K397 PolarHBondContact O-N 2.85Å; I381-F399 HydrophobicContact CD1-CD2 4.36Å; I381-F399 HydrophobicContact CD1-CE2 3.63Å; I381-F399 HydrophobicContact CD1-CZ 4.32Å; I381-Y418 WeakPolarHBondContact CD1-OH 3.44Å; I381-L425 HydrophobicContact CD1-CD2 4.03Å; I381-L425 HydrophobicContact CG1-CD2 4.11Å
382	Y	97.4	Very high	91.6	Very high	0 Å²	0	57 Å²	57	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	153.6	177	-72.2	-88.5	0	0	0	110.4	V346 V348 Q369 F370 V372 R380 I387 N393 G394 V395	V346-Y382 HydrophobicContact CG1-CE1 4.43Å; V346-Y382 HydrophobicContact CG2-CE1 3.84Å; V348-Y382 HydrophobicContact CG2-CE2 4.28Å; Q369-Y382 WeakPolarHBondContact CA-O 3.03Å; Q369-Y382 WeakPolarHBondContact CB-O 3.34Å; F370-Y382 HydrophobicContact CD2-CD2 4.47Å; F370-Y382 HydrophobicContact CE1-CG 4.39Å; F370-Y382 AromaticContact CE2-CD2 3.77Å; F370-Y382 HydrophobicContact CE2-CD2 3.77Å; F370-Y382 HydrophobicContact CE2-CG 4.02Å; F370-Y382 VanDerWaalsContact CZ-CB 3.44Å; F370-Y382 HydrophobicContact CZ-CD2 4.04Å; F370-Y382 AromaticContact CZ-CG 3.79Å; F370-Y382 HydrophobicContact CZ-CG 3.79Å; F370-Y382 PolarHBondContact N-O 2.97Å; F370-Y382 VanDerWaalsContact N-O 3.08Å; F370-Y382 PolarHBondContact O-N 3.36Å; V372-Y382 HydrophobicContact CG2-CD2 4.06Å; V372-Y382 HydrophobicContact CG2-CE2 3.63Å; R380-Y382 HydrophobicContact CB-CD2 4.37Å; R380-Y382 HydrophobicContact CB-CE2 3.75Å; Y382-I387 HydrophobicContact CD1-CG1 4.5Å; Y382-N393 WeakPolarHBondContact CE1-O 2.97Å; Y382-G394 WeakPolarHBondContact CD1-O 3.46Å; Y382-V395 HydrophobicContact CE1-CB 4.45Å; Y382-V395 HydrophobicContact CE1-CG2 3.76Å; Y382-V395 HydrophobicContact CE2-CG2 4.34Å; Y382-V395 VanDerWaalsContact OH-CG2 3.31Å; Y382-V395 WeakPolarHBondContact OH-CG2 3.34Å
383	D	95.6	Very high	91.1	Very high	5 Å²	5	57.8 Å²	57.8	3%	0.027	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.3	163.6	-168.8	-54.8	0	0	0	107.9	Q368 Q369 R385 K386 I387 L396	Q368-D383 CarbonylContact O-C 3.55Å; Q368-D383 WeakPolarHBondContact O-CA 3.35Å; Q369-D383 HydrophobicContact CG-CB 4.03Å; Q369-D383 PolarHBondContact NE2-OD2 3.48Å; D383-R385 PolarHBondContact O-N 3.06Å; D383-R385 WeakPolarHBondContact OD1-CB 3.38Å; D383-R385 IonicContact OD1-CZ 3.78Å; D383-R385 PolarHBondContact OD1-N 2.84Å; D383-R385 VanDerWaalsContact OD1-N 3.15Å; D383-R385 IonicContact OD1-NE 2.61Å; D383-R385 PolarHBondContact OD1-NE 2.93Å; D383-R385 IonicContact OD1-NH2 3.7Å; D383-R385 PolarHBondContact OD1-NH2 2.9Å; D383-R385 IonicContact OD2-CZ 3.68Å; D383-R385 IonicContact OD2-NE 2.8Å; D383-R385 IonicContact OD2-NH2 2.77Å; D383-R385 PolarHBondContact OD2-NH2 2.99Å; D383-K386 HydrophobicContact CB-CB 4.33Å; D383-K386 CarbonylContact O-C 3.56Å; D383-K386 PolarHBondContact O-N 2.87Å; D383-I387 WeakPolarHBondContact O-CG1 3.48Å; D383-I387 PolarHBondContact O-N 3.19Å; D383-L396 HydrophobicContact CB-CD2 4.29Å
384	Q	93.3	Very high	90.7	Very high	54 Å²	54	58.1 Å²	58.1	25%	0.252	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-24.1	-175.1	-65.8	-172.5	68.7	0	0	112.9	T367 Q368 F370	T367-Q384 PolarHBondContact O-NE2 2.97Å; T367-Q384 VanDerWaalsContact O-NE2 3.16Å; Q368-Q384 WeakPolarHBondContact O-CG 3.47Å; Q368-Q384 PolarHBondContact O-N 2.74Å; F370-Q384 HydrophobicContact CD1-CG 3.69Å; F370-Q384 HydrophobicContact CE1-CG 3.74Å
385	R	92.2	Very high	90.8	Very high	163 Å²	163	58.9 Å²	58.9	62%	0.615	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-4.4	-178.6	-52.1	164.1	-64.4	179.5	1.2	113.3	D383	D383-R385 PolarHBondContact O-N 3.06Å; D383-R385 WeakPolarHBondContact OD1-CB 3.38Å; D383-R385 IonicContact OD1-CZ 3.78Å; D383-R385 PolarHBondContact OD1-N 2.84Å; D383-R385 VanDerWaalsContact OD1-N 3.15Å; D383-R385 IonicContact OD1-NE 2.61Å; D383-R385 PolarHBondContact OD1-NE 2.93Å; D383-R385 IonicContact OD1-NH2 3.7Å; D383-R385 PolarHBondContact OD1-NH2 2.9Å; D383-R385 IonicContact OD2-CZ 3.68Å; D383-R385 IonicContact OD2-NE 2.8Å; D383-R385 IonicContact OD2-NH2 2.77Å; D383-R385 PolarHBondContact OD2-NH2 2.99Å
386	K	89.8	Confident	90.8	Very high	146 Å²	146	55 Å²	55	64%	0.635	26%	0.263	S	S	*	.			trans	-135.7	25.5	-172.9	-60.3	-167.5	174.8	-168.7	0	113.5	D383 N388	D383-K386 HydrophobicContact CB-CB 4.33Å; D383-K386 CarbonylContact O-C 3.56Å; D383-K386 PolarHBondContact O-N 2.87Å; K386-N388 PolarHBondContact O-N 2.84Å
387	I	89.8	Confident	91	Very high	40 Å²	40	56.1 Å²	56.1	21%	0.205	27%	0.267	C	S	.	.			trans	-77.9	105.7	173.9	-50.4	178.4	0	0	0	108.7	L345 V346 F370 Y382 D383	L345-I387 HydrophobicContact CB-CD1 4.08Å; V346-I387 HydrophobicContact CB-CD1 4.32Å; V346-I387 HydrophobicContact CB-CG2 3.92Å; V346-I387 HydrophobicContact CG2-CG2 4.01Å; F370-I387 HydrophobicContact CE1-CD1 4.23Å; F370-I387 HydrophobicContact CZ-CD1 4.3Å; Y382-I387 HydrophobicContact CD1-CG1 4.5Å; D383-I387 WeakPolarHBondContact O-CG1 3.48Å; D383-I387 PolarHBondContact O-N 3.19Å
388	N	81.8	Confident	91.1	Very high	51 Å²	51	56.5 Å²	56.5	27%	0.273	27%	0.268	S	S	.	.			trans	-119.9	112.4	173.3	-179.3	3	0	0	0	108.9	K386 N390 E391 N393 G394	K386-N388 PolarHBondContact O-N 2.84Å; N388-N390 PolarHBondContact O-N 2.97Å; N388-N390 VanDerWaalsContact O-N 3.07Å; N388-N390 PolarHBondContact OD1-N 3.36Å; N388-N390 VanDerWaalsContact OD1-N 3.17Å; N388-N390 PolarHBondContact OD1-ND2 2.91Å; N388-E391 HydrophobicContact CB-CB 4.27Å; N388-E391 WeakPolarHBondContact ND2-CG 3.43Å; N388-E391 PolarHBondContact ND2-OE2 3.29Å; N388-E391 PolarHBondContact O-N 3.16Å; N388-E391 VanDerWaalsContact O-N 3.11Å; N388-N393 CarbonylContact O-C 3.49Å; N388-G394 PolarHBondContact O-N 3.26Å
389	E	80.1	Confident	91.1	Very high	104 Å²	104	54.8 Å²	54.8	49%	0.486	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.9	-178	-65.8	-155.3	-170.2	0	0	113.1	K349	K349-E389 IonicContact NZ-OE2 3.77Å; K349-E389 PolarHBondContact NZ-OE2 3.19Å
390	N	81	Confident	91	Very high	150 Å²	150	55.2 Å²	55.2	80%	0.802	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-19.6	-179	-52.5	-67.4	0	0	0	113.9	N388	N388-N390 PolarHBondContact O-N 2.97Å; N388-N390 VanDerWaalsContact O-N 3.07Å; N388-N390 PolarHBondContact OD1-N 3.36Å; N388-N390 VanDerWaalsContact OD1-N 3.17Å; N388-N390 PolarHBondContact OD1-ND2 2.91Å
391	E	81.5	Confident	90.9	Very high	136 Å²	136	55.1 Å²	55.1	64%	0.636	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.5	95	-173.9	-71.4	175.7	148.5	0	0	109.5	N388 N393 G394	N388-E391 HydrophobicContact CB-CB 4.27Å; N388-E391 WeakPolarHBondContact ND2-CG 3.43Å; N388-E391 PolarHBondContact ND2-OE2 3.29Å; N388-E391 PolarHBondContact O-N 3.16Å; N388-E391 VanDerWaalsContact O-N 3.11Å; E391-N393 PolarHBondContact O-N 2.96Å; E391-G394 PolarHBondContact O-N 3.37Å
392	N	83.3	Confident	90.7	Very high	103 Å²	103	58 Å²	58	55%	0.551	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	50.6	32	-176.5	-163.1	26.5	0	0	0	113.3	G394 V395	N392-G394 PolarHBondContact O-N 3.49Å; N392-V395 PolarHBondContact ND2-O 3.12Å; N392-V395 WeakPolarHBondContact O-CB 3.47Å; N392-V395 WeakPolarHBondContact O-CG2 3.44Å; N392-V395 PolarHBondContact O-N 2.8Å
393	N	88.7	Confident	90.3	Very high	17 Å²	17	61 Å²	61	9%	0.091	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	52.5	26.9	-174	-165.1	52.5	0	0	0	113.9	V347 K349 Y382 N388 E391	V347-N393 PolarHBondContact O-ND2 3.43Å; V347-N393 PolarHBondContact O-OD1 2.95Å; K349-N393 PolarHBondContact N-ND2 3.12Å; K349-N393 PolarHBondContact NZ-OD1 2.92Å; Y382-N393 WeakPolarHBondContact CE1-O 2.97Å; N388-N393 CarbonylContact O-C 3.49Å; E391-N393 PolarHBondContact O-N 2.96Å
394	G	89.1	Confident	90.1	Very high	7 Å²	7	61 Å²	61	7%	0.072	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	79.5	6.9	-178.2	0	0	0	0	0	115.9	Y382 N388 E391 N392 L396	Y382-G394 WeakPolarHBondContact CD1-O 3.46Å; N388-G394 PolarHBondContact O-N 3.26Å; E391-G394 PolarHBondContact O-N 3.37Å; N392-G394 PolarHBondContact O-N 3.49Å; G394-L396 PolarHBondContact O-N 3.05Å
395	V	94.9	Very high	89.8	Confident	17 Å²	17	62.1 Å²	62.1	10%	0.103	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	120.5	179.6	177.5	0	0	0	0	110.2	R380 Y382 N392 K397 K398	R380-V395 HydrophobicContact CB-CG1 4.4Å; R380-V395 HydrophobicContact CG-CG1 4.37Å; R380-V395 HydrophobicContact CG-CG2 4.36Å; Y382-V395 HydrophobicContact CE1-CB 4.45Å; Y382-V395 HydrophobicContact CE1-CG2 3.76Å; Y382-V395 HydrophobicContact CE2-CG2 4.34Å; Y382-V395 VanDerWaalsContact OH-CG2 3.31Å; Y382-V395 WeakPolarHBondContact OH-CG2 3.34Å; N392-V395 PolarHBondContact ND2-O 3.12Å; N392-V395 WeakPolarHBondContact O-CB 3.47Å; N392-V395 WeakPolarHBondContact O-CG2 3.44Å; N392-V395 PolarHBondContact O-N 2.8Å; V395-K397 VanDerWaalsContact CG1-O 3.32Å; V395-K397 WeakPolarHBondContact CG1-O 3.31Å; V395-K398 HydrophobicContact CG1-CB 4.2Å
396	L	94.4	Very high	89.2	Confident	70 Å²	70	59.1 Å²	59.1	37%	0.366	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-39.7	177.2	-179.1	69.3	0	0	0	112	I381 D383 G394	I381-L396 WeakPolarHBondContact O-CB 3.25Å; I381-L396 PolarHBondContact O-N 3.27Å; D383-L396 HydrophobicContact CB-CD2 4.29Å; G394-L396 PolarHBondContact O-N 3.05Å
397	K	95.6	Very high	88.7	Confident	38 Å²	38	54.4 Å²	54.4	17%	0.165	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	148.6	173.7	-59.2	-173.4	-178	-177.9	0	111	R380 I381 V395 F399 S439 N440 H441 D443	R380-K397 WeakPolarHBondContact CA-O 3.46Å; I381-K397 HydrophobicContact CB-CB 4.26Å; I381-K397 HydrophobicContact CD1-CB 4.45Å; I381-K397 PolarHBondContact N-O 3.45Å; I381-K397 PolarHBondContact O-N 2.85Å; V395-K397 VanDerWaalsContact CG1-O 3.32Å; V395-K397 WeakPolarHBondContact CG1-O 3.31Å; K397-F399 HydrophobicContact CB-CE1 4.31Å; K397-F399 HydrophobicContact CB-CZ 4.2Å; K397-F399 HydrophobicContact CD-CE1 4.33Å; K397-F399 HydrophobicContact CD-CZ 3.88Å; K397-S439 PolarHBondContact NZ-O 3.21Å; K397-N440 PolarHBondContact NZ-O 2.87Å; K397-N440 VanDerWaalsContact NZ-O 3.1Å; K397-H441 WeakPolarHBondContact CD-O 3.45Å; K397-H441 WeakPolarHBondContact CE-O 3.23Å; K397-H441 PolarHBondContact NZ-O 2.85Å; K397-D443 WeakPolarHBondContact CA-OD1 3.32Å
398	K	95.3	Very high	87.7	Confident	43 Å²	43	61.9 Å²	61.9	19%	0.187	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	122.9	178.9	-179.4	173.3	170.6	176.4	0	108.3	E350 Y378 V379 V395 D443 G444	E350-K398 IonicContact OE1-NZ 3.65Å; E350-K398 PolarHBondContact OE1-NZ 3.46Å; E350-K398 IonicContact OE2-NZ 2.78Å; E350-K398 PolarHBondContact OE2-NZ 2.91Å; Y378-K398 HydrophobicContact CD1-CD 4.05Å; Y378-K398 HydrophobicContact CD1-CG 3.76Å; Y378-K398 HydrophobicContact CE1-CD 4.49Å; Y378-K398 HydrophobicContact CG-CD 4.37Å; Y378-K398 HydrophobicContact CG-CG 4.24Å; V379-K398 CarbonylContact O-C 3.57Å; V379-K398 WeakPolarHBondContact O-CA 3.49Å; V395-K398 HydrophobicContact CG1-CB 4.2Å; K398-D443 PolarHBondContact N-OD1 3.08Å; K398-G444 WeakPolarHBondContact O-CA 3.36Å; K398-G444 PolarHBondContact O-N 3.36Å
399	F	97	Very high	87.2	Confident	1 Å²	1	62.4 Å²	62.4	0%	0.004	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	145.6	176.5	-52.2	-49.1	0	0	0	110.7	V379 I381 K397 F437 D438 S442 A445	V379-F399 HydrophobicContact CB-CB 4.28Å; V379-F399 PolarHBondContact N-O 2.99Å; V379-F399 PolarHBondContact O-N 2.96Å; I381-F399 HydrophobicContact CD1-CD2 4.36Å; I381-F399 HydrophobicContact CD1-CE2 3.63Å; I381-F399 HydrophobicContact CD1-CZ 4.32Å; K397-F399 HydrophobicContact CB-CE1 4.31Å; K397-F399 HydrophobicContact CB-CZ 4.2Å; K397-F399 HydrophobicContact CD-CE1 4.33Å; K397-F399 HydrophobicContact CD-CZ 3.88Å; F399-F437 HydrophobicContact CB-CD1 3.63Å; F399-F437 HydrophobicContact CB-CE1 3.79Å; F399-F437 HydrophobicContact CB-CG 4.01Å; F399-F437 HydrophobicContact CB-CZ 4.3Å; F399-F437 HydrophobicContact CD2-CB 3.8Å; F399-F437 HydrophobicContact CD2-CD1 4.3Å; F399-F437 HydrophobicContact CD2-CG 4.03Å; F399-F437 HydrophobicContact CE2-CB 4.15Å; F399-F437 HydrophobicContact CG-CB 4.36Å; F399-F437 HydrophobicContact CG-CD1 4.05Å; F399-F437 HydrophobicContact CG-CG 4.24Å; F399-D438 VanDerWaalsContact CZ-O 3.31Å; F399-D438 WeakPolarHBondContact CZ-O 3.32Å; F399-S442 WeakPolarHBondContact CE1-O 3.34Å; F399-A445 HydrophobicContact CE1-CB 4.33Å
400	C	95.4	Very high	87	Confident	10 Å²	10	63.5 Å²	63.5	7%	0.068	34%	0.343	C	S	.	.			trans	-156.3	142.8	172.3	176	0	0	0	0	107.5	Q377 Y378 S402 V405	Q377-C400 WeakPolarHBondContact CG-SG 3.36Å; Y378-C400 HydrophobicContact CD1-CB 3.56Å; Y378-C400 HydrophobicContact CE1-CB 3.66Å; C400-S402 PolarHBondContact O-N 2.81Å; C400-V405 HydrophobicContact CB-CG2 3.87Å; C400-V405 VanDerWaalsContact SG-CG2 3.59Å
401	P	95.1	Very high	87.3	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.308	C	S	.	.			trans	-59.4	131.1	171	-22.4	35.6	0	0	0	110.4	H403 L404 V405 Y429 Y435 F437 D446 Y447	P401-H403 VanDerWaalsContact C-N 3.32Å; P401-H403 VanDerWaalsContact CB-CE1 3.42Å; P401-H403 WeakPolarHBondContact CB-CE1 3.31Å; P401-H403 PolarHBondContact O-N 2.87Å; P401-H403 VanDerWaalsContact O-N 3.15Å; P401-L404 HydrophobicContact CB-CB 4.47Å; P401-L404 HydrophobicContact CB-CD1 4.19Å; P401-L404 HydrophobicContact CB-CG 4.14Å; P401-L404 HydrophobicContact CG-CD1 3.91Å; P401-L404 HydrophobicContact CG-CG 4.39Å; P401-L404 WeakPolarHBondContact O-CA 3.31Å; P401-L404 PolarHBondContact O-N 3.06Å; P401-V405 PolarHBondContact O-N 3.28Å; P401-Y429 WeakPolarHBondContact CD-OH 3.39Å; P401-Y429 HydrophobicContact CG-CE2 4.37Å; P401-Y435 HydrophobicContact CB-CD1 4.14Å; P401-Y435 HydrophobicContact CB-CE1 3.9Å; P401-Y435 HydrophobicContact CG-CD1 3.69Å; P401-Y435 HydrophobicContact CG-CD2 3.75Å; P401-Y435 HydrophobicContact CG-CE1 3.8Å; P401-Y435 HydrophobicContact CG-CE2 3.89Å; P401-Y435 HydrophobicContact CG-CG 3.64Å; P401-F437 HydrophobicContact CG-CZ 4.05Å; P401-D446 WeakPolarHBondContact CA-OD1 3.33Å; P401-Y447 HydrophobicContact CB-CD1 3.75Å; P401-Y447 HydrophobicContact CB-CE1 3.93Å; P401-Y447 HydrophobicContact CG-CD1 4.29Å
402	S	92.6	Very high	87.8	Confident	64 Å²	64	50.9 Å²	50.9	45%	0.448	28%	0.281	S	S	.	.	H	α-helix	trans	-46.7	-48.8	-173.5	45.6	0	0	0	0	114.7	C400 L404 V405 D446	C400-S402 PolarHBondContact O-N 2.81Å; S402-L404 VanDerWaalsContact C-N 3.29Å; S402-L404 PolarHBondContact O-N 3.17Å; S402-V405 WeakPolarHBondContact O-CB 3.21Å; S402-V405 PolarHBondContact O-N 3.31Å; S402-D446 WeakPolarHBondContact CB-OD2 3.42Å; S402-D446 PolarHBondContact N-OD1 2.92Å; S402-D446 VanDerWaalsContact N-OD1 3.07Å; S402-D446 PolarHBondContact OG-OD2 2.92Å
403	H	90.7	Very high	88.3	Confident	63 Å²	63	46 Å²	46	29%	0.292	25%	0.254	S	S	.	.	H	α-helix	trans	-63.3	-23.1	176.8	66.5	-65.2	0	0	0	115.3	P401 S407 E432 Y435 R450	P401-H403 VanDerWaalsContact C-N 3.32Å; P401-H403 VanDerWaalsContact CB-CE1 3.42Å; P401-H403 WeakPolarHBondContact CB-CE1 3.31Å; P401-H403 PolarHBondContact O-N 2.87Å; P401-H403 VanDerWaalsContact O-N 3.15Å; H403-S407 PolarHBondContact O-N 2.86Å; H403-E432 IonicContact NE2-OE1 3.52Å; H403-Y435 AromaticContact CE1-CE1 3.94Å; H403-Y435 AromaticContact CE1-CZ 3.78Å; H403-Y435 PolarHBondContact CE1-OH 3.19Å; H403-Y435 PolarHBondContact NE2-OH 2.93Å; H403-Y435 VanDerWaalsContact NE2-OH 3.12Å; H403-R450 PolarHBondContact CE1-NH1 3.25Å; H403-R450 PolarHBondContact NE2-NH1 2.88Å
404	L	90.8	Very high	88.6	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-88.6	-9	176.5	-56.6	-174.8	0	0	0	113.3	Q377 P401 S402 S406 T411 Y429 E432 Y435	Q377-L404 PolarHBondContact NE2-O 2.84Å; P401-L404 HydrophobicContact CB-CB 4.47Å; P401-L404 HydrophobicContact CB-CD1 4.19Å; P401-L404 HydrophobicContact CB-CG 4.14Å; P401-L404 HydrophobicContact CG-CD1 3.91Å; P401-L404 HydrophobicContact CG-CG 4.39Å; P401-L404 WeakPolarHBondContact O-CA 3.31Å; P401-L404 PolarHBondContact O-N 3.06Å; S402-L404 VanDerWaalsContact C-N 3.29Å; S402-L404 PolarHBondContact O-N 3.17Å; L404-S406 VanDerWaalsContact C-N 3.35Å; L404-T411 HydrophobicContact CD2-CG2 4.32Å; L404-Y429 HydrophobicContact CD1-CD1 3.77Å; L404-Y429 HydrophobicContact CD1-CE1 3.96Å; L404-Y429 HydrophobicContact CD1-CG 4.34Å; L404-E432 HydrophobicContact CD1-CG 4.2Å; L404-E432 HydrophobicContact CD2-CG 4.03Å; L404-Y435 HydrophobicContact CD1-CE2 4.41Å
405	V	87.3	Confident	88.9	Confident	77 Å²	77	45.7 Å²	45.7	47%	0.467	25%	0.252	S	S	.	.	H	α-helix	trans	-72.8	-31.9	170.6	-178	0	0	0	0	111.2	C400 P401 S402	C400-V405 HydrophobicContact CB-CG2 3.87Å; C400-V405 VanDerWaalsContact SG-CG2 3.59Å; P401-V405 PolarHBondContact O-N 3.28Å; S402-V405 WeakPolarHBondContact O-CB 3.21Å; S402-V405 PolarHBondContact O-N 3.31Å
406	S	78.1	Confident	88.9	Confident	101 Å²	101	44.9 Å²	44.9	71%	0.706	25%	0.247	S	C	*	.	S	Bend	trans	-108.4	-0.2	-176.1	50.9	0	0	0	0	114.3	L404	L404-S406 VanDerWaalsContact C-N 3.35Å
407	S	79.8	Confident	89.1	Confident	47 Å²	47	41.9 Å²	41.9	33%	0.329	23%	0.232	S	C	.	.			trans	-74.7	141	177.4	-168.5	0	0	0	0	111.6	H403 S409	H403-S407 PolarHBondContact O-N 2.86Å; S407-S409 PolarHBondContact OG-N 3.48Å; S407-S409 PolarHBondContact OG-OG 2.95Å
408	E	68.7	Low	89.2	Confident	197 Å²	197	40.3 Å²	40.3	92%	0.921	23%	0.225	S	C	*	.	S	Bend	trans	-74.1	-17.2	169.2	-55.9	-166.1	157.5	0	0	112.1	K410	E408-K410 PolarHBondContact O-N 2.75Å
409	S	70.9	Confident	89.3	Confident	62 Å²	62	38.3 Å²	38.3	43%	0.434	22%	0.216	S	C	.	.	S	Bend	trans	-72.6	124.2	176.5	70.5	0	0	0	0	111.8	S407 T411	S407-S409 PolarHBondContact OG-N 3.48Å; S407-S409 PolarHBondContact OG-OG 2.95Å; S409-T411 VanDerWaalsContact C-N 3.27Å; S409-T411 PolarHBondContact O-N 3.42Å
410	K	76.5	Confident	89.2	Confident	127 Å²	127	42.2 Å²	42.2	55%	0.552	23%	0.234	S	C	*	.			trans	-79.2	71.4	-178.9	-60.4	175.9	-159.9	153.5	0	111.5	E408 N412 D561	E408-K410 PolarHBondContact O-N 2.75Å; K410-N412 PolarHBondContact O-ND2 2.72Å; K410-D561 WeakPolarHBondContact CD-OD1 3.42Å; K410-D561 IonicContact NZ-OD1 2.83Å; K410-D561 PolarHBondContact NZ-OD1 3.41Å; K410-D561 IonicContact NZ-OD2 3.24Å; K410-D561 PolarHBondContact NZ-OD2 3.2Å
411	T	88	Confident	89.2	Confident	8 Å²	8	44.5 Å²	44.5	5%	0.049	25%	0.246	C	C	.	.			trans	-69.1	146.3	173.1	57.6	0	0	0	0	111.7	D376 Q377 L404 S409 N430 E432	D376-T411 CarbonylContact C-O 3.5Å; D376-T411 VanDerWaalsContact C-O 3.27Å; Q377-T411 PolarHBondContact N-O 2.91Å; L404-T411 HydrophobicContact CD2-CG2 4.32Å; S409-T411 VanDerWaalsContact C-N 3.27Å; S409-T411 PolarHBondContact O-N 3.42Å; T411-N430 WeakPolarHBondContact CA-OD1 3.48Å; T411-E432 HydrophobicContact CG2-CB 4.46Å; T411-E432 HydrophobicContact CG2-CG 4.21Å
412	N	91.1	Very high	89.2	Confident	13 Å²	13	44.5 Å²	44.5	7%	0.07	25%	0.246	C	C	.	.			trans	-133.5	145.4	-174.2	-53.7	-78.9	0	0	0	109.2	Y358 G374 R375 D376 K410 Y429 N430	Y358-N412 HydrophobicContact CE2-CB 4.28Å; G374-N412 CarbonylContact O-C 3.6Å; G374-N412 WeakPolarHBondContact O-CA 3.28Å; G374-N412 WeakPolarHBondContact O-CB 3.49Å; R375-N412 WeakPolarHBondContact CA-OD1 3.49Å; D376-N412 WeakPolarHBondContact O-CA 3.3Å; K410-N412 PolarHBondContact O-ND2 2.72Å; N412-Y429 CarbonylContact O-C 3.54Å; N412-Y429 WeakPolarHBondContact O-CA 3.44Å; N412-N430 PolarHBondContact N-OD1 3.35Å; N412-N430 PolarHBondContact ND2-ND2 3.07Å; N412-N430 VanDerWaalsContact ND2-ND2 3.13Å; N412-N430 PolarHBondContact O-N 3.05Å; N412-N430 PolarHBondContact O-OD1 2.83Å
413	I	94.8	Very high	89.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	114.6	178.8	-62.2	153.7	0	0	0	110.1	T359 G374 D376 V379 L416 Y429	T359-I413 HydrophobicContact CG2-CG2 3.94Å; G374-I413 PolarHBondContact O-N 3.29Å; D376-I413 PolarHBondContact O-N 2.86Å; V379-I413 HydrophobicContact CB-CD1 4.37Å; V379-I413 HydrophobicContact CG2-CD1 3.65Å; V379-I413 HydrophobicContact CG2-CG1 4.47Å; V379-I413 VanDerWaalsContact N-CD1 3.33Å; I413-L416 HydrophobicContact CG2-CD1 4.1Å; I413-L416 HydrophobicContact CG2-CD2 4.43Å; I413-L416 HydrophobicContact CG2-CG 3.84Å; I413-Y429 HydrophobicContact CD1-CE1 4.3Å; I413-Y429 HydrophobicContact CG1-CD1 4.08Å; I413-Y429 HydrophobicContact CG1-CD2 4.4Å; I413-Y429 HydrophobicContact CG1-CE1 3.65Å; I413-Y429 HydrophobicContact CG1-CE2 4.01Å; I413-Y429 HydrophobicContact CG1-CG 4.43Å
414	T	93.9	Very high	89.8	Confident	7 Å²	7	41.5 Å²	41.5	4%	0.043	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-41.9	179.5	58.7	0	0	0	0	112.6	S428 N430 N456 V460	T414-S428 PolarHBondContact N-O 3.21Å; T414-S428 PolarHBondContact OG1-O 3.48Å; T414-S428 PolarHBondContact OG1-OG 3.12Å; T414-N430 HydrophobicContact CG2-CB 3.87Å; T414-N456 PolarHBondContact OG1-ND2 2.9Å; T414-N456 VanDerWaalsContact OG1-ND2 3.08Å; T414-V460 WeakPolarHBondContact O-CG1 3.37Å
415	C	95.6	Very high	90.1	Very high	11 Å²	11	41.3 Å²	41.3	7%	0.074	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	148.8	179.8	-163.3	0	0	0	0	113.4	A427 S428 K461 V463	C415-A427 CarbonylContact O-C 3.51Å; C415-A427 WeakPolarHBondContact O-CA 3.37Å; C415-S428 PolarHBondContact N-O 2.83Å; C415-S428 PolarHBondContact O-N 3.34Å; C415-K461 WeakPolarHBondContact CB-O 3.46Å; C415-V463 HydrophobicContact CB-CG1 4.27Å
416	L	96.6	Very high	90.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	135.9	177.2	-78.8	163.2	0	0	0	110.8	K311 T359 V372 V379 I413 L425 L426 A427	K311-L416 PolarHBondContact NZ-O 2.87Å; T359-L416 HydrophobicContact CG2-CB 4.06Å; T359-L416 HydrophobicContact CG2-CD1 3.92Å; T359-L416 HydrophobicContact CG2-CG 3.98Å; T359-L416 PolarHBondContact OG1-N 2.86Å; V372-L416 VanDerWaalsContact O-CD1 3.32Å; V372-L416 WeakPolarHBondContact O-CD1 3.4Å; V379-L416 HydrophobicContact CB-CD2 4.4Å; V379-L416 HydrophobicContact CG1-CD1 4.03Å; V379-L416 HydrophobicContact CG1-CD2 3.63Å; V379-L416 HydrophobicContact CG2-CD2 3.9Å; I413-L416 HydrophobicContact CG2-CD1 4.1Å; I413-L416 HydrophobicContact CG2-CD2 4.43Å; I413-L416 HydrophobicContact CG2-CG 3.84Å; L416-L425 HydrophobicContact CB-CD1 4.48Å; L416-L425 HydrophobicContact CD2-CD1 4Å; L416-L425 HydrophobicContact CD2-CD2 4.43Å; L416-L425 HydrophobicContact CD2-CG 4.07Å; L416-L426 VanDerWaalsContact CA-O 3.28Å; L416-L426 WeakPolarHBondContact CA-O 3.4Å; L416-A427 HydrophobicContact CD2-CB 3.51Å; L416-A427 HydrophobicContact CG-CB 4.49Å
417	V	97.5	Very high	91.5	Very high	6 Å²	6	32.9 Å²	32.9	4%	0.036	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	132.5	175.8	177.1	0	0	0	0	110.2	F361 L426 V463 F465	F361-V417 HydrophobicContact CD2-CB 4.33Å; F361-V417 HydrophobicContact CD2-CG1 4.36Å; F361-V417 HydrophobicContact CD2-CG2 4.1Å; F361-V417 HydrophobicContact CE2-CB 4.29Å; F361-V417 HydrophobicContact CE2-CG1 3.86Å; F361-V417 HydrophobicContact CE2-CG2 4.06Å; F361-V417 HydrophobicContact CZ-CG1 4.01Å; V417-L426 PolarHBondContact N-O 2.81Å; V417-L426 PolarHBondContact O-N 3.34Å; V417-V463 WeakPolarHBondContact CG2-O 3.42Å; V417-F465 HydrophobicContact CG1-CD2 4.02Å
418	Y	98.1	Very high	92.3	Very high	6 Å²	6	30.6 Å²	30.6	2%	0.024	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	150.6	171.8	-87.1	-75.3	0	0	0	111.5	F361 N363 A371 I381 E424 L425	F361-Y418 HydrophobicContact CB-CD2 4.33Å; F361-Y418 AromaticContact CD1-CD2 3.96Å; F361-Y418 HydrophobicContact CD1-CD2 3.96Å; F361-Y418 HydrophobicContact CD1-CG 4.49Å; N363-Y418 HydrophobicContact CB-CD2 4.09Å; N363-Y418 HydrophobicContact CB-CE1 4.3Å; N363-Y418 HydrophobicContact CB-CE2 3.82Å; N363-Y418 HydrophobicContact CB-CG 4.42Å; N363-Y418 WeakPolarHBondContact ND2-CD1 3.43Å; N363-Y418 WeakPolarHBondContact ND2-CE1 3.28Å; A371-Y418 HydrophobicContact CB-CD2 4.48Å; A371-Y418 HydrophobicContact CB-CE2 3.59Å; I381-Y418 WeakPolarHBondContact CD1-OH 3.44Å; Y418-E424 WeakPolarHBondContact CA-O 3.32Å; Y418-E424 WeakPolarHBondContact CD1-O 3.31Å; Y418-L425 HydrophobicContact CD1-CB 4.09Å; Y418-L425 HydrophobicContact CD1-CD1 4.01Å; Y418-L425 HydrophobicContact CD2-CD1 4.02Å; Y418-L425 HydrophobicContact CE1-CB 4.01Å; Y418-L425 HydrophobicContact CE1-CD1 4.1Å; Y418-L425 HydrophobicContact CE1-CD2 4.16Å; Y418-L425 HydrophobicContact CE1-CG 4.33Å; Y418-L425 HydrophobicContact CE2-CD1 4.15Å; Y418-L425 HydrophobicContact CG-CD1 3.96Å
419	S	97.2	Very high	93.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.112	C	C	.	.			trans	-62.6	162.3	168.6	63.2	0	0	0	0	111.5	P364 D421 G422 T423 E424	P364-S419 WeakPolarHBondContact CG-O 3.43Å; S419-D421 VanDerWaalsContact CB-OD1 3.29Å; S419-D421 WeakPolarHBondContact CB-OD1 3.39Å; S419-D421 PolarHBondContact O-N 3.21Å; S419-D421 PolarHBondContact OG-OD1 2.82Å; S419-G422 PolarHBondContact O-N 2.91Å; S419-G422 PolarHBondContact OG-N 3.28Å; S419-T423 PolarHBondContact OG-N 2.66Å; S419-E424 PolarHBondContact N-O 2.98Å; S419-E424 PolarHBondContact OG-N 3.5Å; S419-E424 PolarHBondContact OG-O 2.72Å
420	H	94.4	Very high	94.4	Very high	84 Å²	84	18.7 Å²	18.7	39%	0.389	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-26	-176.9	79.2	-62.8	0	0	0	115	R194 P468 C469 S470	R194-H420 PolarHBondContact NH2-CD2 3.49Å; R194-H420 PolarHBondContact NH2-NE2 3.33Å; H420-P468 PolarHBondContact CD2-O 2.97Å; H420-C469 PolarHBondContact CE1-O 2.75Å; H420-C469 VanDerWaalsContact ND1-C 3.3Å; H420-C469 PolarHBondContact ND1-O 2.78Å; H420-S470 PolarHBondContact N-OG 2.88Å
421	D	95.3	Very high	94.8	Very high	57 Å²	57	13.9 Å²	13.9	31%	0.305	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106	3	179.2	64.5	-28.9	0	0	0	112.6	A365 S419 T423	A365-D421 WeakPolarHBondContact CB-O 3.3Å; S419-D421 VanDerWaalsContact CB-OD1 3.29Å; S419-D421 WeakPolarHBondContact CB-OD1 3.39Å; S419-D421 PolarHBondContact O-N 3.21Å; S419-D421 PolarHBondContact OG-OD1 2.82Å; D421-T423 HydrophobicContact CB-CG2 4.45Å; D421-T423 PolarHBondContact O-N 2.97Å; D421-T423 VanDerWaalsContact O-N 3.08Å; D421-T423 PolarHBondContact OD1-OG1 3.32Å; D421-T423 WeakPolarHBondContact OD2-CB 3.32Å; D421-T423 WeakPolarHBondContact OD2-CG2 3.25Å; D421-T423 PolarHBondContact OD2-OG1 3.02Å
422	G	96.4	Very high	94.9	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	62.8	12.9	179.4	0	0	0	0	0	115.2	N363 S419 S439	N363-G422 PolarHBondContact ND2-O 3.34Å; N363-G422 WeakPolarHBondContact OD1-CA 3.24Å; S419-G422 PolarHBondContact O-N 2.91Å; S419-G422 PolarHBondContact OG-N 3.28Å; G422-S439 PolarHBondContact O-OG 2.92Å
423	T	96.8	Very high	95	Very high	43 Å²	43	14.3 Å²	14.3	26%	0.264	8%	0.075	S	C	.	.	S	Bend	trans	-79.9	-31.7	179	59.8	0	0	0	0	112	S419 D421 S439	S419-T423 PolarHBondContact OG-N 2.66Å; D421-T423 HydrophobicContact CB-CG2 4.45Å; D421-T423 PolarHBondContact O-N 2.97Å; D421-T423 VanDerWaalsContact O-N 3.08Å; D421-T423 PolarHBondContact OD1-OG1 3.32Å; D421-T423 WeakPolarHBondContact OD2-CB 3.32Å; D421-T423 WeakPolarHBondContact OD2-CG2 3.25Å; D421-T423 PolarHBondContact OD2-OG1 3.02Å; T423-S439 WeakPolarHBondContact O-CB 3.25Å; T423-S439 PolarHBondContact O-N 3.06Å; T423-S439 PolarHBondContact O-OG 3.25Å
424	E	97.5	Very high	95.1	Very high	22 Å²	22	14.3 Å²	14.3	10%	0.103	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	154.7	-178.8	-54.5	-179.5	128.1	0	0	111.4	Y418 S419 L436 F437 R448 K487	Y418-E424 WeakPolarHBondContact CA-O 3.32Å; Y418-E424 WeakPolarHBondContact CD1-O 3.31Å; S419-E424 PolarHBondContact N-O 2.98Å; S419-E424 PolarHBondContact OG-N 3.5Å; S419-E424 PolarHBondContact OG-O 2.72Å; E424-L436 HydrophobicContact CB-CD1 3.88Å; E424-L436 HydrophobicContact CB-CG 4.4Å; E424-F437 CarbonylContact C-O 3.55Å; E424-F437 VanDerWaalsContact CA-O 3.28Å; E424-F437 WeakPolarHBondContact CA-O 3.21Å; E424-R448 IonicContact OE1-NH1 2.82Å; E424-R448 PolarHBondContact OE1-NH1 2.85Å; E424-K487 VanDerWaalsContact OE2-CE 3.29Å; E424-K487 WeakPolarHBondContact OE2-CE 3.42Å; E424-K487 IonicContact OE2-NZ 3.92Å; E424-K487 PolarHBondContact OE2-NZ 3.22Å
425	L	97.9	Very high	95.3	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	118.8	-175.5	179.1	57.2	0	0	0	109.4	A371 V379 I381 L416 Y418 F437	A371-L425 HydrophobicContact CB-CD1 4Å; A371-L425 HydrophobicContact CB-CD2 3.64Å; A371-L425 HydrophobicContact CB-CG 4.5Å; V379-L425 HydrophobicContact CG1-CD2 3.52Å; V379-L425 HydrophobicContact CG1-CG 4.32Å; I381-L425 HydrophobicContact CD1-CD2 4.03Å; I381-L425 HydrophobicContact CG1-CD2 4.11Å; L416-L425 HydrophobicContact CB-CD1 4.48Å; L416-L425 HydrophobicContact CD2-CD1 4Å; L416-L425 HydrophobicContact CD2-CD2 4.43Å; L416-L425 HydrophobicContact CD2-CG 4.07Å; Y418-L425 HydrophobicContact CD1-CB 4.09Å; Y418-L425 HydrophobicContact CD1-CD1 4.01Å; Y418-L425 HydrophobicContact CD2-CD1 4.02Å; Y418-L425 HydrophobicContact CE1-CB 4.01Å; Y418-L425 HydrophobicContact CE1-CD1 4.1Å; Y418-L425 HydrophobicContact CE1-CD2 4.16Å; Y418-L425 HydrophobicContact CE1-CG 4.33Å; Y418-L425 HydrophobicContact CE2-CD1 4.15Å; Y418-L425 HydrophobicContact CG-CD1 3.96Å; L425-F437 PolarHBondContact N-O 2.76Å; L425-F437 PolarHBondContact O-N 2.74Å
426	L	97.9	Very high	95.4	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	131	-177.2	-168.8	73.3	0	0	0	110.2	L416 V417 I434 Y435 L436 Y451 V463 F465 V473	L416-L426 VanDerWaalsContact CA-O 3.28Å; L416-L426 WeakPolarHBondContact CA-O 3.4Å; V417-L426 PolarHBondContact N-O 2.81Å; V417-L426 PolarHBondContact O-N 3.34Å; L426-I434 HydrophobicContact CD1-CG2 3.54Å; L426-I434 HydrophobicContact CD2-CG2 4.36Å; L426-I434 HydrophobicContact CG-CG2 3.8Å; L426-Y435 CarbonylContact C-O 3.47Å; L426-Y435 WeakPolarHBondContact CA-O 3.4Å; L426-L436 HydrophobicContact CB-CD1 4.41Å; L426-L436 HydrophobicContact CD1-CB 4.33Å; L426-L436 HydrophobicContact CD1-CD1 3.99Å; L426-Y451 HydrophobicContact CD1-CD2 4.27Å; L426-Y451 HydrophobicContact CD1-CE2 3.75Å; L426-V463 HydrophobicContact CD2-CB 4.47Å; L426-V463 HydrophobicContact CD2-CG1 4.07Å; L426-V463 HydrophobicContact CD2-CG2 3.62Å; L426-V463 HydrophobicContact CG-CG1 4.31Å; L426-V463 HydrophobicContact CG-CG2 4.33Å; L426-F465 HydrophobicContact CB-CE1 4.36Å; L426-F465 HydrophobicContact CB-CE2 3.75Å; L426-F465 HydrophobicContact CB-CZ 3.62Å; L426-F465 HydrophobicContact CD1-CE1 4.46Å; L426-F465 HydrophobicContact CD1-CZ 4.42Å; L426-F465 HydrophobicContact CD2-CD1 4.43Å; L426-F465 HydrophobicContact CD2-CE1 4.22Å; L426-F465 HydrophobicContact CD2-CE2 4.39Å; L426-F465 HydrophobicContact CD2-CZ 4.23Å; L426-F465 HydrophobicContact CG-CZ 4.33Å; L426-V473 HydrophobicContact CD1-CG1 4.29Å; L426-V473 HydrophobicContact CD1-CG2 3.85Å; L426-V473 HydrophobicContact CD2-CB 4.45Å; L426-V473 HydrophobicContact CD2-CG1 3.8Å; L426-V473 HydrophobicContact CD2-CG2 3.95Å
427	A	97.5	Very high	95.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	130.5	-177.8	0	0	0	0	0	111.1	V379 C415 L416 Y429 I434 Y435 F437	V379-A427 HydrophobicContact CG2-CB 3.92Å; C415-A427 CarbonylContact O-C 3.51Å; C415-A427 WeakPolarHBondContact O-CA 3.37Å; L416-A427 HydrophobicContact CD2-CB 3.51Å; L416-A427 HydrophobicContact CG-CB 4.49Å; A427-Y429 HydrophobicContact CB-CD2 4.26Å; A427-Y429 HydrophobicContact CB-CE2 3.73Å; A427-I434 CarbonylContact O-C 3.57Å; A427-I434 WeakPolarHBondContact O-CA 3.14Å; A427-I434 WeakPolarHBondContact O-CG2 3.5Å; A427-Y435 PolarHBondContact N-O 3.44Å; A427-Y435 PolarHBondContact O-N 3.34Å; A427-F437 HydrophobicContact CB-CD2 4.43Å; A427-F437 HydrophobicContact CB-CE2 3.96Å
428	S	95.7	Very high	95.4	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	121	171.7	-177.1	0	0	0	0	110.2	T414 C415 N456	T414-S428 PolarHBondContact N-O 3.21Å; T414-S428 PolarHBondContact OG1-O 3.48Å; T414-S428 PolarHBondContact OG1-OG 3.12Å; C415-S428 PolarHBondContact N-O 2.83Å; C415-S428 PolarHBondContact O-N 3.34Å; S428-N456 PolarHBondContact OG-ND2 2.78Å; S428-N456 VanDerWaalsContact OG-ND2 3.12Å
429	Y	93.7	Very high	95.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	148.7	179.6	-76	-110.6	0	0	0	110.5	Q377 P401 L404 N412 I413 A427 Y435 N456	Q377-Y429 HydrophobicContact CB-CE1 4.01Å; Q377-Y429 VanDerWaalsContact O-CE1 3.3Å; Q377-Y429 WeakPolarHBondContact O-CE1 3.49Å; Q377-Y429 PolarHBondContact O-OH 3.43Å; P401-Y429 WeakPolarHBondContact CD-OH 3.39Å; P401-Y429 HydrophobicContact CG-CE2 4.37Å; L404-Y429 HydrophobicContact CD1-CD1 3.77Å; L404-Y429 HydrophobicContact CD1-CE1 3.96Å; L404-Y429 HydrophobicContact CD1-CG 4.34Å; N412-Y429 CarbonylContact O-C 3.54Å; N412-Y429 WeakPolarHBondContact O-CA 3.44Å; I413-Y429 HydrophobicContact CD1-CE1 4.3Å; I413-Y429 HydrophobicContact CG1-CD1 4.08Å; I413-Y429 HydrophobicContact CG1-CD2 4.4Å; I413-Y429 HydrophobicContact CG1-CE1 3.65Å; I413-Y429 HydrophobicContact CG1-CE2 4.01Å; I413-Y429 HydrophobicContact CG1-CG 4.43Å; A427-Y429 HydrophobicContact CB-CD2 4.26Å; A427-Y429 HydrophobicContact CB-CE2 3.73Å; Y429-Y435 AromaticContact CD2-CD2 3.59Å; Y429-Y435 HydrophobicContact CD2-CD2 3.59Å; Y429-Y435 HydrophobicContact CD2-CE2 4.19Å; Y429-Y435 AromaticContact CE2-CD2 3.87Å; Y429-Y435 HydrophobicContact CE2-CD2 3.87Å; Y429-Y435 HydrophobicContact CG-CD2 4.36Å; Y429-N456 PolarHBondContact O-ND2 2.75Å
430	N	89.8	Confident	95.1	Very high	9 Å²	9	18 Å²	18	5%	0.048	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	145.3	172.9	76.8	-23	0	0	0	111.6	T411 N412 T414 E432 N456 Y563	T411-N430 WeakPolarHBondContact CA-OD1 3.48Å; N412-N430 PolarHBondContact N-OD1 3.35Å; N412-N430 PolarHBondContact ND2-ND2 3.07Å; N412-N430 VanDerWaalsContact ND2-ND2 3.13Å; N412-N430 PolarHBondContact O-N 3.05Å; N412-N430 PolarHBondContact O-OD1 2.83Å; T414-N430 HydrophobicContact CG2-CB 3.87Å; N430-E432 PolarHBondContact O-N 2.77Å; N430-N456 CarbonylContact C-O 3.49Å; N430-N456 WeakPolarHBondContact CA-O 3.45Å; N430-Y563 WeakPolarHBondContact ND2-CE1 3.47Å; N430-Y563 PolarHBondContact ND2-OH 3.21Å
431	D	84.6	Confident	95.2	Very high	26 Å²	26	17 Å²	17	14%	0.139	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	13.8	-170.9	-140.7	28.7	0	0	0	115.9	N456 N457 R552	D431-N456 PolarHBondContact N-O 2.75Å; D431-N457 WeakPolarHBondContact OD1-CB 3.24Å; D431-R552 VanDerWaalsContact O-CD 3.25Å; D431-R552 WeakPolarHBondContact O-CD 3.36Å; D431-R552 PolarHBondContact O-NE 3.2Å
432	E	90.5	Very high	95.1	Very high	26 Å²	26	18.6 Å²	18.6	12%	0.121	10%	0.104	C	C	.	.	S	Bend	trans	-134.4	-174.4	-174.6	-113.7	-66.1	142.4	0	0	110.2	H403 L404 T411 N430 Y435 R450 H454	H403-E432 IonicContact NE2-OE1 3.52Å; L404-E432 HydrophobicContact CD1-CG 4.2Å; L404-E432 HydrophobicContact CD2-CG 4.03Å; T411-E432 HydrophobicContact CG2-CB 4.46Å; T411-E432 HydrophobicContact CG2-CG 4.21Å; N430-E432 PolarHBondContact O-N 2.77Å; E432-Y435 WeakPolarHBondContact OE2-CE2 3.5Å; E432-Y435 PolarHBondContact OE2-OH 3.14Å; E432-R450 VanDerWaalsContact CD-NH2 3.33Å; E432-R450 IonicContact OE1-CZ 2.64Å; E432-R450 IonicContact OE1-NH1 3.68Å; E432-R450 IonicContact OE1-NH2 2.7Å; E432-R450 PolarHBondContact OE1-NH2 2.91Å; E432-R450 IonicContact OE2-CZ 2.74Å; E432-R450 IonicContact OE2-NH1 2.68Å; E432-R450 IonicContact OE2-NH2 3.34Å; E432-R450 PolarHBondContact OE2-NH2 3.34Å; E432-R450 VanDerWaalsContact OE2-NH2 3.1Å; E432-H454 PolarHBondContact O-CE1 3.19Å
433	D	93.4	Very high	95	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.021	13%	0.127	C	C	.	.			trans	-93.1	178.3	-176	-68.6	-32.7	0	0	0	113.3	Y435 R450 Y451 K452 R552	D433-Y435 HydrophobicContact CB-CE2 4.29Å; D433-Y435 VanDerWaalsContact O-CD2 3.25Å; D433-Y435 WeakPolarHBondContact O-CD2 3.46Å; D433-Y435 VanDerWaalsContact O-CE2 3.22Å; D433-Y435 WeakPolarHBondContact O-CE2 3.24Å; D433-R450 HydrophobicContact CB-CG 3.73Å; D433-R450 IonicContact OD2-CZ 3.41Å; D433-R450 IonicContact OD2-NE 3.97Å; D433-R450 PolarHBondContact OD2-NE 3.19Å; D433-R450 IonicContact OD2-NH2 3.1Å; D433-R450 PolarHBondContact OD2-NH2 3.02Å; D433-Y451 WeakPolarHBondContact CB-O 3.24Å; D433-K452 VanDerWaalsContact OD2-CG 3.3Å; D433-K452 WeakPolarHBondContact OD2-CG 3.31Å; D433-R552 IonicContact OD1-CZ 3.96Å; D433-R552 IonicContact OD1-NH1 2.78Å; D433-R552 PolarHBondContact OD1-NH1 3.3Å; D433-R552 IonicContact OD1-NH2 2.8Å; D433-R552 PolarHBondContact OD1-NH2 3.13Å; D433-R552 IonicContact OD2-NH1 3.71Å
434	I	96.9	Very high	94.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	134.2	178.2	-60.7	154.1	0	0	0	109.3	L426 A427 R450 Y451 V463 W485	L426-I434 HydrophobicContact CD1-CG2 3.54Å; L426-I434 HydrophobicContact CD2-CG2 4.36Å; L426-I434 HydrophobicContact CG-CG2 3.8Å; A427-I434 CarbonylContact O-C 3.57Å; A427-I434 WeakPolarHBondContact O-CA 3.14Å; A427-I434 WeakPolarHBondContact O-CG2 3.5Å; I434-R450 CarbonylContact O-C 3.17Å; I434-R450 VanDerWaalsContact O-CA 3.28Å; I434-R450 WeakPolarHBondContact O-CA 3.41Å; I434-Y451 HydrophobicContact CB-CD2 4.11Å; I434-Y451 HydrophobicContact CG2-CD2 3.9Å; I434-Y451 PolarHBondContact N-O 2.99Å; I434-Y451 WeakPolarHBondContact O-CD2 3.39Å; I434-Y451 PolarHBondContact O-N 3.23Å; I434-V463 HydrophobicContact CD1-CG2 3.84Å; I434-V463 HydrophobicContact CG1-CG2 4.24Å; I434-V463 HydrophobicContact CG2-CG2 3.98Å; I434-W485 HydrophobicContact CD1-CH2 3.66Å; I434-W485 HydrophobicContact CD1-CZ2 4.49Å; I434-W485 HydrophobicContact CD1-CZ3 3.89Å
435	Y	97.8	Very high	94.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	137.9	-175.6	-66.1	-84.5	0	0	0	112.6	P401 H403 L404 L426 A427 Y429 E432 D433 Y447 R449 R450	P401-Y435 HydrophobicContact CB-CD1 4.14Å; P401-Y435 HydrophobicContact CB-CE1 3.9Å; P401-Y435 HydrophobicContact CG-CD1 3.69Å; P401-Y435 HydrophobicContact CG-CD2 3.75Å; P401-Y435 HydrophobicContact CG-CE1 3.8Å; P401-Y435 HydrophobicContact CG-CE2 3.89Å; P401-Y435 HydrophobicContact CG-CG 3.64Å; H403-Y435 AromaticContact CE1-CE1 3.94Å; H403-Y435 AromaticContact CE1-CZ 3.78Å; H403-Y435 PolarHBondContact CE1-OH 3.19Å; H403-Y435 PolarHBondContact NE2-OH 2.93Å; H403-Y435 VanDerWaalsContact NE2-OH 3.12Å; L404-Y435 HydrophobicContact CD1-CE2 4.41Å; L426-Y435 CarbonylContact C-O 3.47Å; L426-Y435 WeakPolarHBondContact CA-O 3.4Å; A427-Y435 PolarHBondContact N-O 3.44Å; A427-Y435 PolarHBondContact O-N 3.34Å; Y429-Y435 AromaticContact CD2-CD2 3.59Å; Y429-Y435 HydrophobicContact CD2-CD2 3.59Å; Y429-Y435 HydrophobicContact CD2-CE2 4.19Å; Y429-Y435 AromaticContact CE2-CD2 3.87Å; Y429-Y435 HydrophobicContact CE2-CD2 3.87Å; Y429-Y435 HydrophobicContact CG-CD2 4.36Å; E432-Y435 WeakPolarHBondContact OE2-CE2 3.5Å; E432-Y435 PolarHBondContact OE2-OH 3.14Å; D433-Y435 HydrophobicContact CB-CE2 4.29Å; D433-Y435 VanDerWaalsContact O-CD2 3.25Å; D433-Y435 WeakPolarHBondContact O-CD2 3.46Å; D433-Y435 VanDerWaalsContact O-CE2 3.22Å; D433-Y435 WeakPolarHBondContact O-CE2 3.24Å; Y435-Y447 AromaticContact CD1-CD1 3.51Å; Y435-Y447 HydrophobicContact CD1-CD1 3.51Å; Y435-Y447 AromaticContact CD1-CD2 3.88Å; Y435-Y447 HydrophobicContact CD1-CD2 3.88Å; Y435-Y447 AromaticContact CD1-CE1 3.92Å; Y435-Y447 HydrophobicContact CD1-CE1 3.92Å; Y435-Y447 HydrophobicContact CD1-CE2 4.22Å; Y435-Y447 AromaticContact CD1-CG 3.52Å; Y435-Y447 HydrophobicContact CD1-CG 3.52Å; Y435-Y447 AromaticContact CE1-CD1 3.77Å; Y435-Y447 HydrophobicContact CE1-CD1 3.77Å; Y435-Y447 HydrophobicContact CE1-CD2 4.34Å; Y435-Y447 AromaticContact CE1-CE1 3.67Å; Y435-Y447 HydrophobicContact CE1-CE1 3.67Å; Y435-Y447 HydrophobicContact CE1-CE2 4.23Å; Y435-Y447 HydrophobicContact CE1-CG 4.13Å; Y435-Y447 AromaticContact CE1-CZ 3.91Å; Y435-R449 WeakPolarHBondContact CA-O 3.18Å; Y435-R450 HydrophobicContact CD1-CB 4.08Å; Y435-R450 HydrophobicContact CD1-CG 4.23Å; Y435-R450 HydrophobicContact CE1-CB 3.8Å; Y435-R450 HydrophobicContact CE1-CG 3.59Å; Y435-R450 WeakPolarHBondContact OH-CD 3.48Å; Y435-R450 PolarHBondContact OH-NE 3.28Å; Y435-R450 PolarHBondContact OH-NH1 3.22Å
436	L	98.3	Very high	94.6	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.016	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	117.2	173.7	-173.5	73.3	0	0	0	110.3	E424 L426 R448 R449 Y451 F465 K487	E424-L436 HydrophobicContact CB-CD1 3.88Å; E424-L436 HydrophobicContact CB-CG 4.4Å; L426-L436 HydrophobicContact CB-CD1 4.41Å; L426-L436 HydrophobicContact CD1-CB 4.33Å; L426-L436 HydrophobicContact CD1-CD1 3.99Å; L436-R448 PolarHBondContact O-N 3.3Å; L436-R449 HydrophobicContact CB-CB 4.01Å; L436-R449 HydrophobicContact CD2-CB 4.41Å; L436-R449 HydrophobicContact CD2-CG 4.38Å; L436-R449 PolarHBondContact N-O 3.16Å; L436-Y451 HydrophobicContact CB-CE2 4.09Å; L436-F465 HydrophobicContact CD1-CE1 3.99Å; L436-F465 HydrophobicContact CD1-CZ 3.63Å; L436-K487 HydrophobicContact CD2-CD 4.18Å; L436-K487 HydrophobicContact CD2-CG 4.04Å
437	F	98.1	Very high	94.5	Very high	1 Å²	1	30 Å²	30	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	160	172.2	-56.3	-83.8	0	0	0	110.9	V379 F399 P401 E424 L425 A427	V379-F437 HydrophobicContact CG2-CD2 4.43Å; V379-F437 HydrophobicContact CG2-CE2 3.98Å; F399-F437 HydrophobicContact CB-CD1 3.63Å; F399-F437 HydrophobicContact CB-CE1 3.79Å; F399-F437 HydrophobicContact CB-CG 4.01Å; F399-F437 HydrophobicContact CB-CZ 4.3Å; F399-F437 HydrophobicContact CD2-CB 3.8Å; F399-F437 HydrophobicContact CD2-CD1 4.3Å; F399-F437 HydrophobicContact CD2-CG 4.03Å; F399-F437 HydrophobicContact CE2-CB 4.15Å; F399-F437 HydrophobicContact CG-CB 4.36Å; F399-F437 HydrophobicContact CG-CD1 4.05Å; F399-F437 HydrophobicContact CG-CG 4.24Å; P401-F437 HydrophobicContact CG-CZ 4.05Å; E424-F437 CarbonylContact C-O 3.55Å; E424-F437 VanDerWaalsContact CA-O 3.28Å; E424-F437 WeakPolarHBondContact CA-O 3.21Å; L425-F437 PolarHBondContact N-O 2.76Å; L425-F437 PolarHBondContact O-N 2.74Å; A427-F437 HydrophobicContact CB-CD2 4.43Å; A427-F437 HydrophobicContact CB-CE2 3.96Å
438	D	96.6	Very high	94.4	Very high	12 Å²	12	34.6 Å²	34.6	6%	0.064	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	128	168.2	175.7	-73.5	0	0	0	109.7	F399 N440 H441 R448	F399-D438 VanDerWaalsContact CZ-O 3.31Å; F399-D438 WeakPolarHBondContact CZ-O 3.32Å; D438-N440 PolarHBondContact O-N 2.81Å; D438-N440 WeakPolarHBondContact OD1-CA 3.5Å; D438-N440 WeakPolarHBondContact OD1-CB 3.36Å; D438-N440 PolarHBondContact OD1-N 3.22Å; D438-N440 PolarHBondContact OD1-ND2 2.95Å; D438-H441 HydrophobicContact CB-CB 4.49Å; D438-H441 PolarHBondContact O-N 2.96Å; D438-H441 IonicContact OD1-CD2 3.32Å; D438-H441 PolarHBondContact OD1-CD2 2.87Å; D438-H441 IonicContact OD1-CG 3.88Å; D438-H441 PolarHBondContact OD1-N 3.04Å; D438-R448 VanDerWaalsContact CG-CZ 3.48Å; D438-R448 IonicContact OD1-NH2 3.88Å; D438-R448 IonicContact OD2-CZ 3.06Å; D438-R448 IonicContact OD2-NH1 2.86Å; D438-R448 PolarHBondContact OD2-NH1 2.92Å; D438-R448 IonicContact OD2-NH2 2.73Å; D438-R448 PolarHBondContact OD2-NH2 3.15Å
439	S	94.6	Very high	94.4	Very high	5 Å²	5	39.9 Å²	39.9	4%	0.035	21%	0.214	C	C	.	.	S	Bend	trans	-73.3	-11.8	-176	72.3	0	0	0	0	114.2	K397 G422 T423	K397-S439 PolarHBondContact NZ-O 3.21Å; G422-S439 PolarHBondContact O-OG 2.92Å; T423-S439 WeakPolarHBondContact O-CB 3.25Å; T423-S439 PolarHBondContact O-N 3.06Å; T423-S439 PolarHBondContact O-OG 3.25Å
440	N	94	Very high	94.5	Very high	85 Å²	85	42.2 Å²	42.2	46%	0.455	22%	0.223	S	C	.	.	S	Bend	trans	-95.2	-26	179.9	-47.2	-70.2	0	0	0	111.8	K366 K397 D438	K366-N440 PolarHBondContact NZ-OD1 3.44Å; K397-N440 PolarHBondContact NZ-O 2.87Å; K397-N440 VanDerWaalsContact NZ-O 3.1Å; D438-N440 PolarHBondContact O-N 2.81Å; D438-N440 WeakPolarHBondContact OD1-CA 3.5Å; D438-N440 WeakPolarHBondContact OD1-CB 3.36Å; D438-N440 PolarHBondContact OD1-N 3.22Å; D438-N440 PolarHBondContact OD1-ND2 2.95Å
441	H	95.1	Very high	94.8	Very high	65 Å²	65	41.8 Å²	41.8	30%	0.301	22%	0.22	S	C	.	.	S	Bend	trans	-49.1	155.8	169.9	-77.4	-159.4	0	0	0	112.9	K397 D438 A445 R448	K397-H441 WeakPolarHBondContact CD-O 3.45Å; K397-H441 WeakPolarHBondContact CE-O 3.23Å; K397-H441 PolarHBondContact NZ-O 2.85Å; D438-H441 HydrophobicContact CB-CB 4.49Å; D438-H441 PolarHBondContact O-N 2.96Å; D438-H441 IonicContact OD1-CD2 3.32Å; D438-H441 PolarHBondContact OD1-CD2 2.87Å; D438-H441 IonicContact OD1-CG 3.88Å; D438-H441 PolarHBondContact OD1-N 3.04Å; H441-A445 HydrophobicContact CB-CB 3.73Å; H441-R448 PolarHBondContact NE2-NH2 2.86Å
442	S	94.9	Very high	95.1	Very high	89 Å²	89	44.2 Å²	44.2	62%	0.622	23%	0.23	S	C	*	.	P	Polyproline II helix	trans	-60.9	161.9	178.2	55.3	0	0	0	0	113	F399 A445	F399-S442 WeakPolarHBondContact CE1-O 3.34Å; S442-A445 WeakPolarHBondContact O-CB 3.41Å; S442-A445 PolarHBondContact O-N 3.3Å
443	D	93.9	Very high	95.1	Very high	89 Å²	89	43.5 Å²	43.5	48%	0.476	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	146	168.9	-168.3	34.6	0	0	0	111.4	K397 K398 A445	K397-D443 WeakPolarHBondContact CA-OD1 3.32Å; K398-D443 PolarHBondContact N-OD1 3.08Å; D443-A445 PolarHBondContact O-N 3.43Å
444	G	92.4	Very high	95	Very high	61 Å²	61	43.3 Å²	43.3	63%	0.629	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.7	8.2	-177.1	0	0	0	0	0	116.3	K398	K398-G444 WeakPolarHBondContact O-CA 3.36Å; K398-G444 PolarHBondContact O-N 3.36Å
445	A	94.7	Very high	94.6	Very high	17 Å²	17	44 Å²	44	14%	0.14	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-70.1	142.3	179.2	0	0	0	0	0	113.3	F399 H441 S442 D443	F399-A445 HydrophobicContact CE1-CB 4.33Å; H441-A445 HydrophobicContact CB-CB 3.73Å; S442-A445 WeakPolarHBondContact O-CB 3.41Å; S442-A445 PolarHBondContact O-N 3.3Å; D443-A445 PolarHBondContact O-N 3.43Å
446	D	95.6	Very high	94.2	Very high	64 Å²	64	44.1 Å²	44.1	34%	0.342	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-77.7	169.9	179.7	-150.7	-1.8	0	0	0	112.8	P401 S402	P401-D446 WeakPolarHBondContact CA-OD1 3.33Å; S402-D446 WeakPolarHBondContact CB-OD2 3.42Å; S402-D446 PolarHBondContact N-OD1 2.92Å; S402-D446 VanDerWaalsContact N-OD1 3.07Å; S402-D446 PolarHBondContact OG-OD2 2.92Å
447	Y	95.9	Very high	93.4	Very high	75 Å²	75	44.3 Å²	44.3	29%	0.294	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-71.1	156	-176.3	65.4	-91.4	0	0	0	114.2	P401 Y435 R449 R450	P401-Y447 HydrophobicContact CB-CD1 3.75Å; P401-Y447 HydrophobicContact CB-CE1 3.93Å; P401-Y447 HydrophobicContact CG-CD1 4.29Å; Y435-Y447 AromaticContact CD1-CD1 3.51Å; Y435-Y447 HydrophobicContact CD1-CD1 3.51Å; Y435-Y447 AromaticContact CD1-CD2 3.88Å; Y435-Y447 HydrophobicContact CD1-CD2 3.88Å; Y435-Y447 AromaticContact CD1-CE1 3.92Å; Y435-Y447 HydrophobicContact CD1-CE1 3.92Å; Y435-Y447 HydrophobicContact CD1-CE2 4.22Å; Y435-Y447 AromaticContact CD1-CG 3.52Å; Y435-Y447 HydrophobicContact CD1-CG 3.52Å; Y435-Y447 AromaticContact CE1-CD1 3.77Å; Y435-Y447 HydrophobicContact CE1-CD1 3.77Å; Y435-Y447 HydrophobicContact CE1-CD2 4.34Å; Y435-Y447 AromaticContact CE1-CE1 3.67Å; Y435-Y447 HydrophobicContact CE1-CE1 3.67Å; Y435-Y447 HydrophobicContact CE1-CE2 4.23Å; Y435-Y447 HydrophobicContact CE1-CG 4.13Å; Y435-Y447 AromaticContact CE1-CZ 3.91Å; Y447-R449 WeakPolarHBondContact CD2-O 3.14Å; Y447-R450 HydrophobicContact CD2-CB 4.28Å; Y447-R450 HydrophobicContact CE2-CB 3.74Å
448	R	95.8	Very high	91.9	Very high	95 Å²	95	45.2 Å²	45.2	36%	0.358	24%	0.24	S	C	.	.	S	Bend	trans	-89.4	-33.8	172.7	-75.9	-170.3	169.7	154.8	9.1	114.2	E424 L436 D438 H441	E424-R448 IonicContact OE1-NH1 2.82Å; E424-R448 PolarHBondContact OE1-NH1 2.85Å; L436-R448 PolarHBondContact O-N 3.3Å; D438-R448 VanDerWaalsContact CG-CZ 3.48Å; D438-R448 IonicContact OD1-NH2 3.88Å; D438-R448 IonicContact OD2-CZ 3.06Å; D438-R448 IonicContact OD2-NH1 2.86Å; D438-R448 PolarHBondContact OD2-NH1 2.92Å; D438-R448 IonicContact OD2-NH2 2.73Å; D438-R448 PolarHBondContact OD2-NH2 3.15Å; H441-R448 PolarHBondContact NE2-NH2 2.86Å
449	R	95.8	Very high	90.6	Very high	111 Å²	111	45.3 Å²	45.3	42%	0.419	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	147.1	-179.9	-67.6	-64.9	-178.7	-112	13	111.1	Y435 L436 Y447 Y451 N488	Y435-R449 WeakPolarHBondContact CA-O 3.18Å; L436-R449 HydrophobicContact CB-CB 4.01Å; L436-R449 HydrophobicContact CD2-CB 4.41Å; L436-R449 HydrophobicContact CD2-CG 4.38Å; L436-R449 PolarHBondContact N-O 3.16Å; Y447-R449 WeakPolarHBondContact CD2-O 3.14Å; R449-Y451 HydrophobicContact CB-CE1 4.34Å; R449-Y451 HydrophobicContact CB-CE2 4.03Å; R449-N488 VanDerWaalsContact CZ-O 3.3Å; R449-N488 PolarHBondContact NE-O 3.24Å; R449-N488 PolarHBondContact NH2-O 2.92Å
450	R	95.4	Very high	89.5	Confident	50 Å²	50	48.2 Å²	48.2	19%	0.189	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.1	169.5	178	179.3	174.3	143.6	5.5	106.5	H403 E432 D433 I434 Y435 Y447 K452	H403-R450 PolarHBondContact CE1-NH1 3.25Å; H403-R450 PolarHBondContact NE2-NH1 2.88Å; E432-R450 VanDerWaalsContact CD-NH2 3.33Å; E432-R450 IonicContact OE1-CZ 2.64Å; E432-R450 IonicContact OE1-NH1 3.68Å; E432-R450 IonicContact OE1-NH2 2.7Å; E432-R450 PolarHBondContact OE1-NH2 2.91Å; E432-R450 IonicContact OE2-CZ 2.74Å; E432-R450 IonicContact OE2-NH1 2.68Å; E432-R450 IonicContact OE2-NH2 3.34Å; E432-R450 PolarHBondContact OE2-NH2 3.34Å; E432-R450 VanDerWaalsContact OE2-NH2 3.1Å; D433-R450 HydrophobicContact CB-CG 3.73Å; D433-R450 IonicContact OD2-CZ 3.41Å; D433-R450 IonicContact OD2-NE 3.97Å; D433-R450 PolarHBondContact OD2-NE 3.19Å; D433-R450 IonicContact OD2-NH2 3.1Å; D433-R450 PolarHBondContact OD2-NH2 3.02Å; I434-R450 CarbonylContact O-C 3.17Å; I434-R450 VanDerWaalsContact O-CA 3.28Å; I434-R450 WeakPolarHBondContact O-CA 3.41Å; Y435-R450 HydrophobicContact CD1-CB 4.08Å; Y435-R450 HydrophobicContact CD1-CG 4.23Å; Y435-R450 HydrophobicContact CE1-CB 3.8Å; Y435-R450 HydrophobicContact CE1-CG 3.59Å; Y435-R450 WeakPolarHBondContact OH-CD 3.48Å; Y435-R450 PolarHBondContact OH-NE 3.28Å; Y435-R450 PolarHBondContact OH-NH1 3.22Å; Y447-R450 HydrophobicContact CD2-CB 4.28Å; Y447-R450 HydrophobicContact CE2-CB 3.74Å; R450-K452 HydrophobicContact CG-CG 4.2Å
451	Y	95.4	Very high	88.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	116.3	177.3	-48.3	-89.6	0	0	0	108.7	L426 D433 I434 L436 R449 V473 W485 K487 A490	L426-Y451 HydrophobicContact CD1-CD2 4.27Å; L426-Y451 HydrophobicContact CD1-CE2 3.75Å; D433-Y451 WeakPolarHBondContact CB-O 3.24Å; I434-Y451 HydrophobicContact CB-CD2 4.11Å; I434-Y451 HydrophobicContact CG2-CD2 3.9Å; I434-Y451 PolarHBondContact N-O 2.99Å; I434-Y451 WeakPolarHBondContact O-CD2 3.39Å; I434-Y451 PolarHBondContact O-N 3.23Å; L436-Y451 HydrophobicContact CB-CE2 4.09Å; R449-Y451 HydrophobicContact CB-CE1 4.34Å; R449-Y451 HydrophobicContact CB-CE2 4.03Å; Y451-V473 HydrophobicContact CD2-CG1 4.38Å; Y451-V473 HydrophobicContact CD2-CG2 4.48Å; Y451-V473 HydrophobicContact CE1-CB 4.45Å; Y451-V473 HydrophobicContact CE1-CG2 4.18Å; Y451-V473 HydrophobicContact CE2-CG2 3.87Å; Y451-W485 HydrophobicContact CD1-CB 3.68Å; Y451-W485 HydrophobicContact CD1-CD2 4.36Å; Y451-W485 AromaticContact CD1-CG 3.83Å; Y451-W485 HydrophobicContact CD1-CG 3.83Å; Y451-W485 HydrophobicContact CE1-CB 4.22Å; Y451-W485 HydrophobicContact CG-CD2 4.44Å; Y451-W485 HydrophobicContact CG-CG 4.35Å; Y451-K487 VanDerWaalsContact OH-CG 3.3Å; Y451-K487 WeakPolarHBondContact OH-CG 3.39Å; Y451-K487 PolarHBondContact OH-O 2.84Å; Y451-A490 HydrophobicContact CD1-CB 3.6Å; Y451-A490 HydrophobicContact CE1-CB 3.71Å
452	K	92.6	Very high	88.2	Confident	77 Å²	77	41.9 Å²	41.9	34%	0.335	23%	0.231	S	C	.	.			trans	-104.6	174.5	-171.6	-45.1	-164.9	178.5	-174.7	0	112.9	W161 D433 R450 W485	W161-K452 HydrophobicContact CH2-CB 3.67Å; W161-K452 HydrophobicContact CH2-CD 4.38Å; W161-K452 HydrophobicContact CZ2-CB 3.62Å; W161-K452 HydrophobicContact CZ2-CD 3.99Å; W161-K452 HydrophobicContact CZ2-CG 4.09Å; D433-K452 VanDerWaalsContact OD2-CG 3.3Å; D433-K452 WeakPolarHBondContact OD2-CG 3.31Å; R450-K452 HydrophobicContact CG-CG 4.2Å; K452-W485 WeakPolarHBondContact O-CZ2 3.48Å; K452-W485 PolarHBondContact O-NE1 2.95Å
453	G	89.5	Confident	88.2	Confident	10 Å²	10	37.8 Å²	37.8	10%	0.103	20%	0.202	C	C	.	.	S	Bend	trans	97.6	-18.4	167.5	0	0	0	0	0	114.9	Y483 N548	G453-Y483 PolarHBondContact O-OH 2.61Å; G453-N548 PolarHBondContact O-ND2 3.42Å
454	H	91.5	Very high	88.4	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.			trans	-77.9	153	166.7	89.9	-31.1	0	0	0	111.3	E432 S475 Y483 W485 R552	E432-H454 PolarHBondContact O-CE1 3.19Å; H454-S475 PolarHBondContact CD2-OG 2.85Å; H454-Y483 HydrophobicContact CB-CD2 4.04Å; H454-Y483 HydrophobicContact CB-CE2 4.14Å; H454-Y483 HydrophobicContact CB-CG 4.41Å; H454-W485 HydrophobicContact CB-CH2 4.16Å; H454-W485 HydrophobicContact CB-CZ2 4.34Å; H454-R552 PolarHBondContact O-NH2 2.86Å
455	R	89.6	Confident	88.6	Confident	16 Å²	16	32.6 Å²	32.6	6%	0.06	16%	0.159	C	C	.	.			trans	-101	132.8	167.6	-172.3	177.6	-160.2	74.6	6.4	110.9	K461 S477 D478 N548 E551 D555	R455-K461 WeakPolarHBondContact O-CE 3.36Å; R455-S477 PolarHBondContact N-OG 3.22Å; R455-S477 WeakPolarHBondContact O-CA 3.43Å; R455-S477 PolarHBondContact O-OG 2.76Å; R455-D478 HydrophobicContact CB-CB 4.14Å; R455-D478 HydrophobicContact CG-CB 3.92Å; R455-D478 PolarHBondContact O-N 3.01Å; R455-D478 VanDerWaalsContact O-N 3.1Å; R455-N548 HydrophobicContact CB-CB 4.46Å; R455-N548 PolarHBondContact NH1-O 2.92Å; R455-E551 VanDerWaalsContact NH1-CB 3.26Å; R455-E551 PolarHBondContact NH2-O 2.93Å; R455-D555 IonicContact CZ-OD2 3.75Å; R455-D555 IonicContact NH2-OD2 3.5Å; R455-D555 PolarHBondContact NH2-OD2 3.3Å
456	N	88.9	Confident	88.7	Confident	1 Å²	1	32 Å²	32	1%	0.005	15%	0.153	C	C	.	.			trans	-138.3	50.2	177.9	-168.2	28.6	0	0	0	113.5	T414 S428 Y429 N430 D431 T459 K461 D478	T414-N456 PolarHBondContact OG1-ND2 2.9Å; T414-N456 VanDerWaalsContact OG1-ND2 3.08Å; S428-N456 PolarHBondContact OG-ND2 2.78Å; S428-N456 VanDerWaalsContact OG-ND2 3.12Å; Y429-N456 PolarHBondContact O-ND2 2.75Å; N430-N456 CarbonylContact C-O 3.49Å; N430-N456 WeakPolarHBondContact CA-O 3.45Å; D431-N456 PolarHBondContact N-O 2.75Å; N456-T459 PolarHBondContact OD1-O 3.24Å; N456-T459 VanDerWaalsContact OD1-O 3.08Å; N456-K461 HydrophobicContact CB-CD 4.25Å; N456-K461 WeakPolarHBondContact OD1-CD 3.47Å; N456-K461 WeakPolarHBondContact OD1-CE 3.45Å; N456-K461 WeakPolarHBondContact OD1-CG 3.43Å; N456-K461 PolarHBondContact OD1-NZ 3.08Å; N456-D478 WeakPolarHBondContact CA-OD2 3.41Å
457	N	81.7	Confident	88.5	Confident	7 Å²	7	29.7 Å²	29.7	4%	0.037	15%	0.145	C	C	.	.	S	Bend	trans	-87.8	-60.1	178.6	-167.8	4.2	0	0	0	111.8	D431 T459 D478 D555	D431-N457 WeakPolarHBondContact OD1-CB 3.24Å; N457-T459 PolarHBondContact O-N 2.73Å; N457-D478 PolarHBondContact N-OD2 3.07Å; N457-D555 PolarHBondContact ND2-OD2 3.5Å
458	A	66.2	Low	88.3	Confident	21 Å²	21	28 Å²	28	17%	0.174	14%	0.143	C	C	.	.	S	Bend	trans	-84.9	-9	-157.6	0	0	0	0	0	116.3	D478 F570	A458-D478 PolarHBondContact N-OD2 2.9Å; A458-F570 HydrophobicContact CB-CD2 4.28Å; A458-F570 HydrophobicContact CB-CE2 4.03Å
459	T	69.8	Low	88	Confident	14 Å²	14	25.5 Å²	25.5	9%	0.086	14%	0.139	C	C	.	.	S	Bend	trans	-147.7	157.8	-174.8	75.5	0	0	0	0	112.9	N456 N457 K461 V503 N505 L567	N456-T459 PolarHBondContact OD1-O 3.24Å; N456-T459 VanDerWaalsContact OD1-O 3.08Å; N457-T459 PolarHBondContact O-N 2.73Å; T459-K461 PolarHBondContact O-N 2.84Å; T459-K461 PolarHBondContact O-NZ 2.88Å; T459-K461 WeakPolarHBondContact OG1-CG 3.21Å; T459-K461 PolarHBondContact OG1-NZ 2.82Å; T459-V503 HydrophobicContact CG2-CB 4.37Å; T459-V503 HydrophobicContact CG2-CG1 4.04Å; T459-V503 HydrophobicContact CG2-CG2 4.09Å; T459-V503 WeakPolarHBondContact OG1-CG1 3.27Å; T459-N505 VanDerWaalsContact CB-OD1 3.24Å; T459-N505 WeakPolarHBondContact CB-OD1 3.44Å; T459-N505 PolarHBondContact OG1-OD1 3.06Å; T459-L567 HydrophobicContact CG2-CD1 4.24Å
460	V	71.8	Confident	88	Confident	65 Å²	65	20.3 Å²	20.3	39%	0.394	12%	0.121	S	C	.	.			trans	-74.8	115.5	167.7	178.1	0	0	0	0	109.1	T414	T414-V460 WeakPolarHBondContact O-CG1 3.37Å
461	K	78.1	Confident	88	Confident	1 Å²	1	20 Å²	20	0%	0.004	12%	0.121	C	C	.	.			trans	-107.8	140.7	-176.8	-68.2	174.5	-162.1	52.5	0	113.4	C415 R455 N456 T459 D478	C415-K461 WeakPolarHBondContact CB-O 3.46Å; R455-K461 WeakPolarHBondContact O-CE 3.36Å; N456-K461 HydrophobicContact CB-CD 4.25Å; N456-K461 WeakPolarHBondContact OD1-CD 3.47Å; N456-K461 WeakPolarHBondContact OD1-CE 3.45Å; N456-K461 WeakPolarHBondContact OD1-CG 3.43Å; N456-K461 PolarHBondContact OD1-NZ 3.08Å; T459-K461 PolarHBondContact O-N 2.84Å; T459-K461 PolarHBondContact O-NZ 2.88Å; T459-K461 WeakPolarHBondContact OG1-CG 3.21Å; T459-K461 PolarHBondContact OG1-NZ 2.82Å; K461-D478 VanDerWaalsContact CE-N 3.27Å; K461-D478 WeakPolarHBondContact CE-OD1 3.44Å; K461-D478 VanDerWaalsContact CE-OD2 3.26Å; K461-D478 WeakPolarHBondContact CE-OD2 3.49Å; K461-D478 IonicContact NZ-OD1 2.74Å; K461-D478 PolarHBondContact NZ-OD1 3.03Å; K461-D478 IonicContact NZ-OD2 3.76Å; K461-D478 PolarHBondContact NZ-OD2 2.97Å
462	G	82.3	Confident	88	Confident	17 Å²	17	20.2 Å²	20.2	18%	0.175	12%	0.122	C	C	.	.			trans	-67.1	128.1	163.1	0	0	0	0	0	111.3	N505 L507	G462-N505 PolarHBondContact N-O 3.06Å; G462-L507 WeakPolarHBondContact O-CD2 3.38Å
463	V	95.4	Very high	88.3	Confident	2 Å²	2	16.6 Å²	16.6	1%	0.012	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	144.6	158.3	73.7	0	0	0	0	107.3	C415 V417 L426 I434 V473 V474	C415-V463 HydrophobicContact CB-CG1 4.27Å; V417-V463 WeakPolarHBondContact CG2-O 3.42Å; L426-V463 HydrophobicContact CD2-CB 4.47Å; L426-V463 HydrophobicContact CD2-CG1 4.07Å; L426-V463 HydrophobicContact CD2-CG2 3.62Å; L426-V463 HydrophobicContact CG-CG1 4.31Å; L426-V463 HydrophobicContact CG-CG2 4.33Å; I434-V463 HydrophobicContact CD1-CG2 3.84Å; I434-V463 HydrophobicContact CG1-CG2 4.24Å; I434-V463 HydrophobicContact CG2-CG2 3.98Å; V463-V473 HydrophobicContact CG2-CG1 4.1Å; V463-V474 WeakPolarHBondContact CG2-O 3.46Å
464	N	97.4	Very high	88.6	Confident	28 Å²	28	16.1 Å²	16.1	15%	0.15	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	167.5	-179.9	-150.6	-23.5	0	0	0	110.9	V474 L507 E508 P509	N464-V474 HydrophobicContact CB-CG1 4.08Å; N464-V474 PolarHBondContact N-O 2.85Å; N464-V474 VanDerWaalsContact O-CG1 3.31Å; N464-V474 WeakPolarHBondContact O-CG1 3.28Å; N464-V474 PolarHBondContact O-N 3.25Å; N464-L507 HydrophobicContact CB-CD1 3.53Å; N464-E508 PolarHBondContact ND2-OE2 3.03Å; N464-P509 HydrophobicContact CB-CG 4.41Å; N464-P509 VanDerWaalsContact ND2-CD 3.32Å; N464-P509 WeakPolarHBondContact ND2-CD 3.32Å
465	F	97.4	Very high	88.9	Confident	13 Å²	13	16.1 Å²	16.1	6%	0.057	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	134.5	167.6	-72	-72.1	0	0	0	109.9	V417 L426 L436 F472 V473 K487	V417-F465 HydrophobicContact CG1-CD2 4.02Å; L426-F465 HydrophobicContact CB-CE1 4.36Å; L426-F465 HydrophobicContact CB-CE2 3.75Å; L426-F465 HydrophobicContact CB-CZ 3.62Å; L426-F465 HydrophobicContact CD1-CE1 4.46Å; L426-F465 HydrophobicContact CD1-CZ 4.42Å; L426-F465 HydrophobicContact CD2-CD1 4.43Å; L426-F465 HydrophobicContact CD2-CE1 4.22Å; L426-F465 HydrophobicContact CD2-CE2 4.39Å; L426-F465 HydrophobicContact CD2-CZ 4.23Å; L426-F465 HydrophobicContact CG-CZ 4.33Å; L436-F465 HydrophobicContact CD1-CE1 3.99Å; L436-F465 HydrophobicContact CD1-CZ 3.63Å; F465-F472 CarbonylContact C-O 3.56Å; F465-F472 WeakPolarHBondContact CA-O 3.35Å; F465-V473 HydrophobicContact CD1-CG2 3.97Å; F465-V473 HydrophobicContact CE1-CG2 3.9Å; F465-K487 HydrophobicContact CD1-CD 4.29Å; F465-K487 HydrophobicContact CE1-CD 3.7Å; F465-K487 HydrophobicContact CE1-CG 4.35Å
466	Y	96.4	Very high	89.1	Confident	4 Å²	4	15.3 Å²	15.3	2%	0.016	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	138.5	172	-177.8	-76.9	0	0	0	110	C197 V203 E471 F472 L484 P509 P514 G515 M516	C197-Y466 WeakPolarHBondContact O-CE1 3.37Å; V203-Y466 HydrophobicContact CG2-CD1 3.9Å; V203-Y466 HydrophobicContact CG2-CE1 3.51Å; Y466-E471 PolarHBondContact O-N 2.77Å; Y466-F472 HydrophobicContact CD1-CD2 4.05Å; Y466-F472 PolarHBondContact N-O 2.81Å; Y466-F472 PolarHBondContact O-N 2.83Å; Y466-L484 HydrophobicContact CD2-CD2 4.42Å; Y466-L484 HydrophobicContact CG-CD2 4.17Å; Y466-P509 HydrophobicContact CD2-CB 3.96Å; Y466-P509 HydrophobicContact CD2-CG 4.21Å; Y466-P514 WeakPolarHBondContact OH-CA 3.38Å; Y466-G515 PolarHBondContact OH-N 3.2Å; Y466-M516 HydrophobicContact CD2-SD 4.49Å
467	G	92.4	Very high	89.3	Confident	17 Å²	17	15.3 Å²	15.3	18%	0.175	10%	0.098	C	C	.	.	S	Bend	trans	97.5	143.3	-176.8	0	0	0	0	0	113.2	C469 S470 E471	G467-C469 PolarHBondContact O-N 2.62Å; G467-C469 VanDerWaalsContact O-N 3.12Å; G467-S470 PolarHBondContact O-N 3.15Å; G467-E471 WeakPolarHBondContact CA-OE2 3.5Å
468	P	90	Very high	89.7	Confident	38 Å²	38	16.1 Å²	16.1	25%	0.247	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	4	-172.1	-17.9	34.1	0	0	0	116	R194 C197 H420	R194-P468 HydrophobicContact CG-CB 3.68Å; R194-P468 HydrophobicContact CG-CG 4.19Å; R194-P468 PolarHBondContact NE-O 3.47Å; R194-P468 PolarHBondContact NH2-O 2.89Å; C197-P468 HydrophobicContact CB-CG 3.61Å; H420-P468 PolarHBondContact CD2-O 2.97Å
469	C	91.1	Very high	90.8	Very high	43 Å²	43	16.5 Å²	16.5	29%	0.291	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	12.9	166.9	-54.1	0	0	0	0	111.7	R194 H420 G467 E471	R194-C469 PolarHBondContact NE-SG 2.55Å; R194-C469 PolarHBondContact NH2-SG 3.1Å; H420-C469 PolarHBondContact CE1-O 2.75Å; H420-C469 VanDerWaalsContact ND1-C 3.3Å; H420-C469 PolarHBondContact ND1-O 2.78Å; G467-C469 PolarHBondContact O-N 2.62Å; G467-C469 VanDerWaalsContact O-N 3.12Å; C469-E471 WeakPolarHBondContact CA-OE2 3.48Å; C469-E471 VanDerWaalsContact CB-CD 3.44Å; C469-E471 HydrophobicContact CB-CG 4.16Å; C469-E471 WeakPolarHBondContact CB-OE1 3.17Å; C469-E471 PolarHBondContact N-OE2 3.37Å
470	S	95.3	Very high	91.8	Very high	3 Å²	3	15.9 Å²	15.9	2%	0.021	10%	0.1	C	C	.	.			trans	55.7	49.8	-168.4	-53.3	0	0	0	0	111.4	H420 G467 K487	H420-S470 PolarHBondContact N-OG 2.88Å; G467-S470 PolarHBondContact O-N 3.15Å; S470-K487 VanDerWaalsContact O-CD 3.22Å; S470-K487 WeakPolarHBondContact O-CD 3.48Å; S470-K487 WeakPolarHBondContact O-CE 3.48Å; S470-K487 PolarHBondContact O-NZ 2.72Å
471	E	94.3	Very high	92.9	Very high	43 Å²	43	14.6 Å²	14.6	20%	0.201	9%	0.09	C	C	.	.			trans	-69.1	-31.9	179.6	-65.7	92.4	153.3	0	0	112.8	G198 Y466 G467 C469 K487	G198-E471 WeakPolarHBondContact CA-OE1 3.49Å; Y466-E471 PolarHBondContact O-N 2.77Å; G467-E471 WeakPolarHBondContact CA-OE2 3.5Å; C469-E471 WeakPolarHBondContact CA-OE2 3.48Å; C469-E471 VanDerWaalsContact CB-CD 3.44Å; C469-E471 HydrophobicContact CB-CG 4.16Å; C469-E471 WeakPolarHBondContact CB-OE1 3.17Å; C469-E471 PolarHBondContact N-OE2 3.37Å; E471-K487 VanDerWaalsContact O-CB 3.29Å; E471-K487 WeakPolarHBondContact O-CB 3.46Å; E471-K487 PolarHBondContact O-N 3.04Å
472	F	96.5	Very high	93.8	Very high	5 Å²	5	14.6 Å²	14.6	2%	0.022	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	156.1	-176.9	-55.8	-83.6	0	0	0	111.5	G198 R200 V203 F465 Y466 W485 D486 V493	G198-F472 WeakPolarHBondContact O-CE2 3.22Å; R200-F472 HydrophobicContact CB-CE1 4.22Å; R200-F472 HydrophobicContact CB-CZ 3.81Å; R200-F472 HydrophobicContact CG-CE1 4.01Å; R200-F472 HydrophobicContact CG-CZ 4.12Å; V203-F472 HydrophobicContact CG2-CD2 3.88Å; V203-F472 HydrophobicContact CG2-CE2 3.72Å; V203-F472 HydrophobicContact CG2-CG 4.38Å; V203-F472 HydrophobicContact CG2-CZ 4.11Å; F465-F472 CarbonylContact C-O 3.56Å; F465-F472 WeakPolarHBondContact CA-O 3.35Å; Y466-F472 HydrophobicContact CD1-CD2 4.05Å; Y466-F472 PolarHBondContact N-O 2.81Å; Y466-F472 PolarHBondContact O-N 2.83Å; F472-W485 CarbonylContact C-O 3.53Å; F472-W485 VanDerWaalsContact CA-O 3.24Å; F472-W485 WeakPolarHBondContact CA-O 3.3Å; F472-W485 WeakPolarHBondContact CB-O 3.25Å; F472-D486 HydrophobicContact CD1-CB 4.35Å; F472-D486 HydrophobicContact CE1-CB 4.28Å; F472-V493 HydrophobicContact CD1-CG2 3.72Å; F472-V493 HydrophobicContact CE1-CG1 4.49Å; F472-V493 HydrophobicContact CE1-CG2 3.92Å
473	V	97.9	Very high	94.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	142	165.4	168.4	0	0	0	0	108.3	L426 Y451 V463 F465 L484 W485 K487	L426-V473 HydrophobicContact CD1-CG1 4.29Å; L426-V473 HydrophobicContact CD1-CG2 3.85Å; L426-V473 HydrophobicContact CD2-CB 4.45Å; L426-V473 HydrophobicContact CD2-CG1 3.8Å; L426-V473 HydrophobicContact CD2-CG2 3.95Å; Y451-V473 HydrophobicContact CD2-CG1 4.38Å; Y451-V473 HydrophobicContact CD2-CG2 4.48Å; Y451-V473 HydrophobicContact CE1-CB 4.45Å; Y451-V473 HydrophobicContact CE1-CG2 4.18Å; Y451-V473 HydrophobicContact CE2-CG2 3.87Å; V463-V473 HydrophobicContact CG2-CG1 4.1Å; F465-V473 HydrophobicContact CD1-CG2 3.97Å; F465-V473 HydrophobicContact CE1-CG2 3.9Å; V473-L484 CarbonylContact O-C 3.57Å; V473-L484 VanDerWaalsContact O-CA 3.24Å; V473-L484 WeakPolarHBondContact O-CA 3.42Å; V473-W485 HydrophobicContact CB-CE3 4.28Å; V473-W485 HydrophobicContact CG1-CE3 3.85Å; V473-W485 HydrophobicContact CG1-CZ3 4.14Å; V473-W485 PolarHBondContact N-O 2.87Å; V473-W485 PolarHBondContact O-N 3.5Å; V473-K487 HydrophobicContact CG2-CG 4.31Å
474	V	97.6	Very high	94.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	136.3	176.7	52.9	0	0	0	0	110.7	V463 N464 I482 Y483 L484 L507 P509 M516	V463-V474 WeakPolarHBondContact CG2-O 3.46Å; N464-V474 HydrophobicContact CB-CG1 4.08Å; N464-V474 PolarHBondContact N-O 2.85Å; N464-V474 VanDerWaalsContact O-CG1 3.31Å; N464-V474 WeakPolarHBondContact O-CG1 3.28Å; N464-V474 PolarHBondContact O-N 3.25Å; V474-I482 HydrophobicContact CG2-CG2 3.99Å; V474-Y483 WeakPolarHBondContact CA-O 3.41Å; V474-L484 HydrophobicContact CB-CD2 3.95Å; V474-L484 HydrophobicContact CB-CG 3.81Å; V474-L484 HydrophobicContact CG2-CD1 4.18Å; V474-L484 HydrophobicContact CG2-CD2 4.06Å; V474-L484 HydrophobicContact CG2-CG 3.75Å; V474-L507 HydrophobicContact CB-CD1 4.33Å; V474-L507 HydrophobicContact CG1-CD1 3.6Å; V474-L507 HydrophobicContact CG2-CD1 3.95Å; V474-L507 HydrophobicContact CG2-CD2 4.19Å; V474-P509 HydrophobicContact CG1-CG 4.27Å; V474-M516 HydrophobicContact CG2-SD 4.16Å
475	S	96.1	Very high	94.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	148.5	178	-155.7	0	0	0	0	112.4	H454 Y483 L507	H454-S475 PolarHBondContact CD2-OG 2.85Å; S475-Y483 PolarHBondContact N-O 2.78Å; S475-Y483 PolarHBondContact O-N 3.2Å; S475-L507 VanDerWaalsContact C-CD2 3.49Å
476	G	93.8	Very high	94.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.078	C	C	.	.			trans	-81.6	175.8	163.3	0	0	0	0	0	111.4
477	S	93.3	Very high	94.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.081	C	C	.	.			trans	-153.5	154.7	179.2	-167.1	0	0	0	0	113.1	R455 C479 G480 H481 V504	R455-S477 PolarHBondContact N-OG 3.22Å; R455-S477 WeakPolarHBondContact O-CA 3.43Å; R455-S477 PolarHBondContact O-OG 2.76Å; S477-C479 PolarHBondContact O-N 3.05Å; S477-C479 PolarHBondContact OG-SG 3.11Å; S477-C479 VanDerWaalsContact OG-SG 3.42Å; S477-G480 PolarHBondContact O-N 3.07Å; S477-H481 WeakPolarHBondContact CB-O 3.4Å; S477-H481 PolarHBondContact N-O 2.74Å; S477-V504 PolarHBondContact N-O 3.35Å; S477-V504 PolarHBondContact O-N 2.93Å; S477-V504 VanDerWaalsContact O-N 3.11Å
478	D	90.4	Very high	94.2	Very high	24 Å²	24	18 Å²	18	13%	0.128	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.9	173.5	-69	-49.7	0	0	0	112.9	R455 N456 N457 A458 K461 G480 V503	R455-D478 HydrophobicContact CB-CB 4.14Å; R455-D478 HydrophobicContact CG-CB 3.92Å; R455-D478 PolarHBondContact O-N 3.01Å; R455-D478 VanDerWaalsContact O-N 3.1Å; N456-D478 WeakPolarHBondContact CA-OD2 3.41Å; N457-D478 PolarHBondContact N-OD2 3.07Å; A458-D478 PolarHBondContact N-OD2 2.9Å; K461-D478 VanDerWaalsContact CE-N 3.27Å; K461-D478 WeakPolarHBondContact CE-OD1 3.44Å; K461-D478 VanDerWaalsContact CE-OD2 3.26Å; K461-D478 WeakPolarHBondContact CE-OD2 3.49Å; K461-D478 IonicContact NZ-OD1 2.74Å; K461-D478 PolarHBondContact NZ-OD1 3.03Å; K461-D478 IonicContact NZ-OD2 3.76Å; K461-D478 PolarHBondContact NZ-OD2 2.97Å; D478-G480 PolarHBondContact O-N 3.05Å; D478-V503 HydrophobicContact CB-CG2 4.29Å; D478-V503 WeakPolarHBondContact OD1-CG1 3.44Å; D478-V503 WeakPolarHBondContact OD1-CG2 3.45Å
479	C	90	Very high	94.2	Very high	30 Å²	30	18.1 Å²	18.1	20%	0.203	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	7.7	174.4	69.6	0	0	0	0	114.2	S477 H481 V544 N548	S477-C479 PolarHBondContact O-N 3.05Å; S477-C479 PolarHBondContact OG-SG 3.11Å; S477-C479 VanDerWaalsContact OG-SG 3.42Å; C479-H481 VanDerWaalsContact C-N 3.25Å; C479-H481 PolarHBondContact O-N 3.17Å; C479-H481 PolarHBondContact O-ND1 3.1Å; C479-V544 HydrophobicContact CB-CG1 4.16Å; C479-N548 VanDerWaalsContact CB-OD1 3.32Å; C479-N548 WeakPolarHBondContact CB-OD1 3.42Å
480	G	91.4	Very high	94.2	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.01	9%	0.091	C	C	.	.	S	Bend	trans	73.1	9.6	178.9	0	0	0	0	0	115.7	S477 D478 G498 D499 G502	S477-G480 PolarHBondContact O-N 3.07Å; D478-G480 PolarHBondContact O-N 3.05Å; G480-G498 CarbonylContact O-C 3.6Å; G480-G498 VanDerWaalsContact O-CA 3.32Å; G480-G498 WeakPolarHBondContact O-CA 3.42Å; G480-G498 PolarHBondContact O-N 3.22Å; G480-D499 PolarHBondContact O-N 3.3Å; G480-G502 WeakPolarHBondContact CA-O 3.3Å
481	H	94.3	Very high	94	Very high	38 Å²	38	19 Å²	19	18%	0.176	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	150.1	179.3	-67.5	73.6	0	0	0	112.3	S477 C479 Y483 F495 M496	S477-H481 WeakPolarHBondContact CB-O 3.4Å; S477-H481 PolarHBondContact N-O 2.74Å; C479-H481 VanDerWaalsContact C-N 3.25Å; C479-H481 PolarHBondContact O-N 3.17Å; C479-H481 PolarHBondContact O-ND1 3.1Å; H481-Y483 HydrophobicContact CB-CD2 4.45Å; H481-Y483 HydrophobicContact CB-CE2 3.88Å; H481-F495 HydrophobicContact CB-CD2 4.16Å; H481-F495 HydrophobicContact CB-CE2 3.47Å; H481-F495 VanDerWaalsContact CB-CE2 3.47Å; H481-F495 HydrophobicContact CB-CZ 4.02Å; H481-F495 AromaticContact CD2-CE1 3.61Å; H481-F495 AromaticContact CD2-CE2 3.47Å; H481-F495 VanDerWaalsContact CD2-CE2 3.47Å; H481-F495 WeakPolarHBondContact CD2-CE2 3.18Å; H481-F495 AromaticContact CD2-CZ 3.07Å; H481-F495 WeakPolarHBondContact CD2-CZ 3.47Å; H481-F495 AromaticContact CG-CE2 3.58Å; H481-F495 AromaticContact CG-CZ 3.56Å; H481-F495 AromaticContact NE2-CZ 3.66Å; H481-M496 CarbonylContact C-O 3.44Å; H481-M496 VanDerWaalsContact CA-O 3.27Å; H481-M496 WeakPolarHBondContact CA-O 3.36Å
482	I	95.8	Very high	93.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	129.9	171	-56.5	153.8	0	0	0	108.1	V474 L484 F495 M496 V504 M516 T518 W528	V474-I482 HydrophobicContact CG2-CG2 3.99Å; I482-L484 HydrophobicContact CG2-CD1 3.99Å; I482-F495 WeakPolarHBondContact O-CA 3.39Å; I482-M496 HydrophobicContact CB-CE 4.15Å; I482-M496 HydrophobicContact CD1-CE 4.5Å; I482-M496 HydrophobicContact CG2-CE 4Å; I482-M496 PolarHBondContact N-O 3.27Å; I482-M496 PolarHBondContact O-N 2.8Å; I482-V504 HydrophobicContact CG1-CG1 4.17Å; I482-V504 HydrophobicContact CG1-CG2 4.22Å; I482-M516 HydrophobicContact CD1-CE 4.31Å; I482-M516 HydrophobicContact CG2-CE 3.95Å; I482-T518 HydrophobicContact CD1-CG2 3.78Å; I482-T518 HydrophobicContact CG1-CG2 4.39Å; I482-W528 HydrophobicContact CD1-CD2 4.47Å; I482-W528 HydrophobicContact CD1-CH2 4.32Å; I482-W528 HydrophobicContact CD1-CZ2 3.59Å
483	Y	96.3	Very high	93.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.3	179.1	-67.5	-105.8	0	0	0	109.4	G453 H454 V474 S475 H481 W485 I492 F495 L541 M545 N548	G453-Y483 PolarHBondContact O-OH 2.61Å; H454-Y483 HydrophobicContact CB-CD2 4.04Å; H454-Y483 HydrophobicContact CB-CE2 4.14Å; H454-Y483 HydrophobicContact CB-CG 4.41Å; V474-Y483 WeakPolarHBondContact CA-O 3.41Å; S475-Y483 PolarHBondContact N-O 2.78Å; S475-Y483 PolarHBondContact O-N 3.2Å; H481-Y483 HydrophobicContact CB-CD2 4.45Å; H481-Y483 HydrophobicContact CB-CE2 3.88Å; Y483-W485 HydrophobicContact CD1-CZ2 4.15Å; Y483-W485 HydrophobicContact CG-CH2 4.06Å; Y483-W485 HydrophobicContact CG-CZ2 4.08Å; Y483-I492 HydrophobicContact CD1-CD1 3.93Å; Y483-I492 HydrophobicContact CE1-CD1 4.27Å; Y483-F495 HydrophobicContact CD1-CD2 4.09Å; Y483-F495 AromaticContact CE1-CD2 3.88Å; Y483-F495 HydrophobicContact CE1-CD2 3.88Å; Y483-F495 AromaticContact CE1-CE2 3.88Å; Y483-F495 HydrophobicContact CE1-CE2 3.88Å; Y483-F495 HydrophobicContact CE2-CD2 4.42Å; Y483-F495 HydrophobicContact CE2-CE2 4.12Å; Y483-F495 HydrophobicContact CG-CD2 4.46Å; Y483-F495 AromaticContact CZ-CE2 3.65Å; Y483-L541 HydrophobicContact CD1-CD1 4.33Å; Y483-L541 HydrophobicContact CE1-CD1 3.8Å; Y483-M545 HydrophobicContact CE1-CG 4.35Å; Y483-N548 PolarHBondContact OH-ND2 2.83Å
484	L	96.8	Very high	93.6	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	131.1	165.8	-62.8	90.1	0	0	0	110.6	V203 L206 Y466 V473 V474 I482 I492 V493 Q494 M496 M516	V203-L484 HydrophobicContact CG1-CB 4.38Å; V203-L484 HydrophobicContact CG1-CD2 4.04Å; L206-L484 HydrophobicContact CD1-CD2 4.18Å; Y466-L484 HydrophobicContact CD2-CD2 4.42Å; Y466-L484 HydrophobicContact CG-CD2 4.17Å; V473-L484 CarbonylContact O-C 3.57Å; V473-L484 VanDerWaalsContact O-CA 3.24Å; V473-L484 WeakPolarHBondContact O-CA 3.42Å; V474-L484 HydrophobicContact CB-CD2 3.95Å; V474-L484 HydrophobicContact CB-CG 3.81Å; V474-L484 HydrophobicContact CG2-CD1 4.18Å; V474-L484 HydrophobicContact CG2-CD2 4.06Å; V474-L484 HydrophobicContact CG2-CG 3.75Å; I482-L484 HydrophobicContact CG2-CD1 3.99Å; L484-I492 WeakPolarHBondContact O-CA 3.37Å; L484-V493 HydrophobicContact CB-CG2 4.26Å; L484-V493 WeakPolarHBondContact O-CG2 3.3Å; L484-V493 PolarHBondContact O-N 2.94Å; L484-Q494 HydrophobicContact CB-CB 4.19Å; L484-Q494 HydrophobicContact CD1-CB 4.05Å; L484-Q494 HydrophobicContact CD1-CG 4.01Å; L484-Q494 PolarHBondContact N-O 3.28Å; L484-Q494 PolarHBondContact O-N 2.97Å; L484-M496 HydrophobicContact CD1-CE 3.48Å; L484-M496 VanDerWaalsContact CD1-CE 3.48Å; L484-M516 HydrophobicContact CD1-CE 4.41Å
485	W	96.2	Very high	93.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	144.4	177.9	-53.9	-104.3	0	0	0	110.6	I434 Y451 K452 H454 F472 V473 Y483 K487 A490 R491 I492	I434-W485 HydrophobicContact CD1-CH2 3.66Å; I434-W485 HydrophobicContact CD1-CZ2 4.49Å; I434-W485 HydrophobicContact CD1-CZ3 3.89Å; Y451-W485 HydrophobicContact CD1-CB 3.68Å; Y451-W485 HydrophobicContact CD1-CD2 4.36Å; Y451-W485 AromaticContact CD1-CG 3.83Å; Y451-W485 HydrophobicContact CD1-CG 3.83Å; Y451-W485 HydrophobicContact CE1-CB 4.22Å; Y451-W485 HydrophobicContact CG-CD2 4.44Å; Y451-W485 HydrophobicContact CG-CG 4.35Å; K452-W485 WeakPolarHBondContact O-CZ2 3.48Å; K452-W485 PolarHBondContact O-NE1 2.95Å; H454-W485 HydrophobicContact CB-CH2 4.16Å; H454-W485 HydrophobicContact CB-CZ2 4.34Å; F472-W485 CarbonylContact C-O 3.53Å; F472-W485 VanDerWaalsContact CA-O 3.24Å; F472-W485 WeakPolarHBondContact CA-O 3.3Å; F472-W485 WeakPolarHBondContact CB-O 3.25Å; V473-W485 HydrophobicContact CB-CE3 4.28Å; V473-W485 HydrophobicContact CG1-CE3 3.85Å; V473-W485 HydrophobicContact CG1-CZ3 4.14Å; V473-W485 PolarHBondContact N-O 2.87Å; V473-W485 PolarHBondContact O-N 3.5Å; Y483-W485 HydrophobicContact CD1-CZ2 4.15Å; Y483-W485 HydrophobicContact CG-CH2 4.06Å; Y483-W485 HydrophobicContact CG-CZ2 4.08Å; W485-K487 PolarHBondContact O-N 3.14Å; W485-A490 VanDerWaalsContact CD1-O 3.23Å; W485-R491 CarbonylContact C-O 3.51Å; W485-R491 VanDerWaalsContact CA-O 3.24Å; W485-R491 WeakPolarHBondContact CA-O 3.39Å; W485-I492 HydrophobicContact CG-CG1 4.18Å; W485-I492 VanDerWaalsContact NE1-CG1 3.3Å
486	D	94.1	Very high	93.4	Very high	29 Å²	29	19.5 Å²	19.5	16%	0.155	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	120.3	163.1	168.4	-74.5	0	0	0	108.6	L169 F472 N488 S489 A490 R491 V493	L169-D486 HydrophobicContact CD1-CB 4.09Å; F472-D486 HydrophobicContact CD1-CB 4.35Å; F472-D486 HydrophobicContact CE1-CB 4.28Å; D486-N488 PolarHBondContact O-N 2.92Å; D486-N488 PolarHBondContact OD1-N 2.91Å; D486-S489 WeakPolarHBondContact CB-OG 3.33Å; D486-S489 VanDerWaalsContact CG-OG 3.23Å; D486-S489 PolarHBondContact O-N 3.22Å; D486-S489 WeakPolarHBondContact OD1-CB 3.19Å; D486-S489 PolarHBondContact OD1-N 2.98Å; D486-S489 PolarHBondContact OD1-OG 3.33Å; D486-A490 WeakPolarHBondContact O-CA 3.44Å; D486-A490 PolarHBondContact O-N 3.39Å; D486-R491 PolarHBondContact N-O 3.31Å; D486-V493 HydrophobicContact CB-CG1 3.8Å
487	K	94.4	Very high	93.4	Very high	19 Å²	19	24.1 Å²	24.1	8%	0.083	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-38.3	-170.3	-174.5	-173.5	64.1	178.1	0	112.2	E424 L436 Y451 F465 S470 E471 V473 W485	E424-K487 VanDerWaalsContact OE2-CE 3.29Å; E424-K487 WeakPolarHBondContact OE2-CE 3.42Å; E424-K487 IonicContact OE2-NZ 3.92Å; E424-K487 PolarHBondContact OE2-NZ 3.22Å; L436-K487 HydrophobicContact CD2-CD 4.18Å; L436-K487 HydrophobicContact CD2-CG 4.04Å; Y451-K487 VanDerWaalsContact OH-CG 3.3Å; Y451-K487 WeakPolarHBondContact OH-CG 3.39Å; Y451-K487 PolarHBondContact OH-O 2.84Å; F465-K487 HydrophobicContact CD1-CD 4.29Å; F465-K487 HydrophobicContact CE1-CD 3.7Å; F465-K487 HydrophobicContact CE1-CG 4.35Å; S470-K487 VanDerWaalsContact O-CD 3.22Å; S470-K487 WeakPolarHBondContact O-CD 3.48Å; S470-K487 WeakPolarHBondContact O-CE 3.48Å; S470-K487 PolarHBondContact O-NZ 2.72Å; E471-K487 VanDerWaalsContact O-CB 3.29Å; E471-K487 WeakPolarHBondContact O-CB 3.46Å; E471-K487 PolarHBondContact O-N 3.04Å; V473-K487 HydrophobicContact CG2-CG 4.31Å; W485-K487 PolarHBondContact O-N 3.14Å
488	N	91.8	Very high	93.2	Very high	105 Å²	105	24.3 Å²	24.3	56%	0.561	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-33.2	-169.9	-63.7	-35.7	0	0	0	112.7	R449 D486	R449-N488 VanDerWaalsContact CZ-O 3.3Å; R449-N488 PolarHBondContact NE-O 3.24Å; R449-N488 PolarHBondContact NH2-O 2.92Å; D486-N488 PolarHBondContact O-N 2.92Å; D486-N488 PolarHBondContact OD1-N 2.91Å
489	S	90.1	Very high	92.9	Very high	41 Å²	41	23.5 Å²	23.5	29%	0.287	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-16.6	179.3	61.2	0	0	0	0	114.2	L169 D486 R491	L169-S489 WeakPolarHBondContact CD2-OG 3.41Å; D486-S489 WeakPolarHBondContact CB-OG 3.33Å; D486-S489 VanDerWaalsContact CG-OG 3.23Å; D486-S489 PolarHBondContact O-N 3.22Å; D486-S489 WeakPolarHBondContact OD1-CB 3.19Å; D486-S489 PolarHBondContact OD1-N 2.98Å; D486-S489 PolarHBondContact OD1-OG 3.33Å; S489-R491 PolarHBondContact O-N 3.09Å; S489-R491 PolarHBondContact OG-N 3.33Å
490	A	92.3	Very high	92	Very high	8 Å²	8	31.2 Å²	31.2	7%	0.066	15%	0.147	C	C	.	.			trans	58.2	12.9	-169.2	0	0	0	0	0	115.5	Y451 W485 D486	Y451-A490 HydrophobicContact CD1-CB 3.6Å; Y451-A490 HydrophobicContact CE1-CB 3.71Å; W485-A490 VanDerWaalsContact CD1-O 3.23Å; D486-A490 WeakPolarHBondContact O-CA 3.44Å; D486-A490 PolarHBondContact O-N 3.39Å
491	R	90.6	Very high	90.8	Very high	57 Å²	57	33.1 Å²	33.1	22%	0.215	17%	0.167	C	C	.	.			trans	-80.8	139.8	175.9	-69.3	-179.5	166.6	172.4	1.2	111.7	A164 E165 H167 L169 W485 D486 S489 V493	A164-R491 PolarHBondContact O-NE 3.15Å; A164-R491 PolarHBondContact O-NH2 3.38Å; E165-R491 HydrophobicContact CB-CG 4.18Å; E165-R491 HydrophobicContact CG-CG 4.29Å; E165-R491 WeakPolarHBondContact O-CD 3.43Å; E165-R491 VanDerWaalsContact O-CG 3.28Å; E165-R491 WeakPolarHBondContact O-CG 3.47Å; E165-R491 PolarHBondContact O-NE 3.24Å; H167-R491 PolarHBondContact O-NH1 2.72Å; L169-R491 HydrophobicContact CD1-CB 4.39Å; W485-R491 CarbonylContact C-O 3.51Å; W485-R491 VanDerWaalsContact CA-O 3.24Å; W485-R491 WeakPolarHBondContact CA-O 3.39Å; D486-R491 PolarHBondContact N-O 3.31Å; S489-R491 PolarHBondContact O-N 3.09Å; S489-R491 PolarHBondContact OG-N 3.33Å; R491-V493 PolarHBondContact O-N 3.41Å
492	I	92.9	Very high	90.1	Very high	17 Å²	17	32.4 Å²	32.4	9%	0.087	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	124.4	173.5	-62.7	171.1	0	0	0	109.6	Y483 L484 W485 F495 L538 L541 M545	Y483-I492 HydrophobicContact CD1-CD1 3.93Å; Y483-I492 HydrophobicContact CE1-CD1 4.27Å; L484-I492 WeakPolarHBondContact O-CA 3.37Å; W485-I492 HydrophobicContact CG-CG1 4.18Å; W485-I492 VanDerWaalsContact NE1-CG1 3.3Å; I492-F495 HydrophobicContact CG2-CB 4.46Å; I492-L538 HydrophobicContact CG2-CD1 4.47Å; I492-L538 HydrophobicContact CG2-CD2 4.16Å; I492-L541 HydrophobicContact CB-CD2 4.17Å; I492-L541 HydrophobicContact CD1-CD1 3.9Å; I492-L541 HydrophobicContact CD1-CD2 4.02Å; I492-L541 HydrophobicContact CD1-CG 4.46Å; I492-L541 HydrophobicContact CG2-CD2 3.8Å; I492-M545 HydrophobicContact CD1-CE 3.64Å; I492-M545 HydrophobicContact CD1-SD 3.77Å
493	V	93.3	Very high	89.7	Confident	5 Å²	5	33 Å²	33	3%	0.03	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-20.6	177.4	-64	0	0	0	0	113	L169 R200 V203 Q204 F472 L484 D486 R491 T536	L169-V493 HydrophobicContact CD1-CG1 3.59Å; R200-V493 HydrophobicContact CG-CB 4.32Å; R200-V493 HydrophobicContact CG-CG1 4.17Å; V203-V493 HydrophobicContact CG1-CG2 3.81Å; Q204-V493 WeakPolarHBondContact CG-O 3.49Å; F472-V493 HydrophobicContact CD1-CG2 3.72Å; F472-V493 HydrophobicContact CE1-CG1 4.49Å; F472-V493 HydrophobicContact CE1-CG2 3.92Å; L484-V493 HydrophobicContact CB-CG2 4.26Å; L484-V493 WeakPolarHBondContact O-CG2 3.3Å; L484-V493 PolarHBondContact O-N 2.94Å; D486-V493 HydrophobicContact CB-CG1 3.8Å; R491-V493 PolarHBondContact O-N 3.41Å; V493-T536 WeakPolarHBondContact O-CG2 3.43Å
494	Q	94.9	Very high	89.5	Confident	5 Å²	5	33 Å²	33	2%	0.023	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	144.1	175.4	177.2	65.5	-76.2	0	0	110.4	V203 Q204 L206 L484 M496 T536	V203-Q494 HydrophobicContact CG1-CB 4.06Å; V203-Q494 PolarHBondContact O-NE2 3.46Å; Q204-Q494 PolarHBondContact O-NE2 3Å; L206-Q494 PolarHBondContact O-NE2 2.81Å; L484-Q494 HydrophobicContact CB-CB 4.19Å; L484-Q494 HydrophobicContact CD1-CB 4.05Å; L484-Q494 HydrophobicContact CD1-CG 4.01Å; L484-Q494 PolarHBondContact N-O 3.28Å; L484-Q494 PolarHBondContact O-N 2.97Å; Q494-M496 HydrophobicContact CG-CE 3.79Å; Q494-M496 HydrophobicContact CG-CG 3.86Å; Q494-M496 HydrophobicContact CG-SD 3.72Å; Q494-T536 VanDerWaalsContact OE1-CG2 3.31Å; Q494-T536 PolarHBondContact OE1-OG1 3.37Å
495	F	94.9	Very high	89.1	Confident	17 Å²	17	33.8 Å²	33.8	8%	0.075	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	122.6	-178.5	173.3	-109.5	0	0	0	108.5	H481 I482 Y483 I492 L538 L541 V544	H481-F495 HydrophobicContact CB-CD2 4.16Å; H481-F495 HydrophobicContact CB-CE2 3.47Å; H481-F495 VanDerWaalsContact CB-CE2 3.47Å; H481-F495 HydrophobicContact CB-CZ 4.02Å; H481-F495 AromaticContact CD2-CE1 3.61Å; H481-F495 AromaticContact CD2-CE2 3.47Å; H481-F495 VanDerWaalsContact CD2-CE2 3.47Å; H481-F495 WeakPolarHBondContact CD2-CE2 3.18Å; H481-F495 AromaticContact CD2-CZ 3.07Å; H481-F495 WeakPolarHBondContact CD2-CZ 3.47Å; H481-F495 AromaticContact CG-CE2 3.58Å; H481-F495 AromaticContact CG-CZ 3.56Å; H481-F495 AromaticContact NE2-CZ 3.66Å; I482-F495 WeakPolarHBondContact O-CA 3.39Å; Y483-F495 HydrophobicContact CD1-CD2 4.09Å; Y483-F495 AromaticContact CE1-CD2 3.88Å; Y483-F495 HydrophobicContact CE1-CD2 3.88Å; Y483-F495 AromaticContact CE1-CE2 3.88Å; Y483-F495 HydrophobicContact CE1-CE2 3.88Å; Y483-F495 HydrophobicContact CE2-CD2 4.42Å; Y483-F495 HydrophobicContact CE2-CE2 4.12Å; Y483-F495 HydrophobicContact CG-CD2 4.46Å; Y483-F495 AromaticContact CZ-CE2 3.65Å; I492-F495 HydrophobicContact CG2-CB 4.46Å; F495-L538 HydrophobicContact CB-CD2 3.87Å; F495-L541 HydrophobicContact CB-CD1 4.05Å; F495-L541 HydrophobicContact CD1-CB 3.81Å; F495-L541 HydrophobicContact CD1-CD1 4.1Å; F495-L541 HydrophobicContact CD2-CD1 3.43Å; F495-L541 VanDerWaalsContact CD2-CD1 3.43Å; F495-L541 HydrophobicContact CE1-CB 4.06Å; F495-L541 HydrophobicContact CE1-CD1 4.38Å; F495-L541 HydrophobicContact CE2-CD1 3.74Å; F495-L541 HydrophobicContact CG-CB 4.13Å; F495-L541 HydrophobicContact CG-CD1 3.6Å; F495-L541 HydrophobicContact CG-CG 4.37Å; F495-L541 HydrophobicContact CZ-CD1 4.19Å; F495-V544 HydrophobicContact CE2-CG1 4.38Å; F495-V544 HydrophobicContact CZ-CB 3.94Å; F495-V544 HydrophobicContact CZ-CG1 4.07Å; F495-V544 HydrophobicContact CZ-CG2 4.03Å
496	M	94.7	Very high	88.8	Confident	14 Å²	14	34.6 Å²	34.6	7%	0.069	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	142.2	-170.7	-63.7	169.2	-61.5	0	0	110.9	L206 H481 I482 L484 Q494 G498 M516 W528	L206-M496 HydrophobicContact CB-CE 4.42Å; L206-M496 HydrophobicContact CB-SD 3.69Å; L206-M496 HydrophobicContact CD1-CE 4.46Å; H481-M496 CarbonylContact C-O 3.44Å; H481-M496 VanDerWaalsContact CA-O 3.27Å; H481-M496 WeakPolarHBondContact CA-O 3.36Å; I482-M496 HydrophobicContact CB-CE 4.15Å; I482-M496 HydrophobicContact CD1-CE 4.5Å; I482-M496 HydrophobicContact CG2-CE 4Å; I482-M496 PolarHBondContact N-O 3.27Å; I482-M496 PolarHBondContact O-N 2.8Å; L484-M496 HydrophobicContact CD1-CE 3.48Å; L484-M496 VanDerWaalsContact CD1-CE 3.48Å; Q494-M496 HydrophobicContact CG-CE 3.79Å; Q494-M496 HydrophobicContact CG-CG 3.86Å; Q494-M496 HydrophobicContact CG-SD 3.72Å; M496-G498 PolarHBondContact O-N 3.12Å; M496-M516 HydrophobicContact CE-CE 3.46Å; M496-M516 VanDerWaalsContact CE-CE 3.46Å; M496-W528 HydrophobicContact CB-CH2 4.18Å; M496-W528 HydrophobicContact CB-CZ3 3.95Å; M496-W528 HydrophobicContact CE-CE3 4.39Å; M496-W528 HydrophobicContact CG-CZ3 4.2Å; M496-W528 HydrophobicContact SD-CD2 4.39Å; M496-W528 HydrophobicContact SD-CE3 3.59Å; M496-W528 VanDerWaalsContact SD-CE3 3.59Å; M496-W528 HydrophobicContact SD-CZ3 3.81Å
497	E	93	Very high	88.9	Confident	97 Å²	97	33.6 Å²	33.6	45%	0.453	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	98.2	166.9	-178.5	-172.3	-133.1	0	0	108	R500 W528	E497-R500 VanDerWaalsContact CD-NE 3.29Å; E497-R500 HydrophobicContact CG-CG 4.31Å; E497-R500 WeakPolarHBondContact OE1-CG 3.43Å; E497-R500 IonicContact OE1-NE 2.64Å; E497-R500 PolarHBondContact OE1-NE 3.38Å; E497-R500 IonicContact OE2-CZ 3.29Å; E497-R500 VanDerWaalsContact OE2-CZ 3.25Å; E497-R500 IonicContact OE2-NE 3.4Å; E497-R500 PolarHBondContact OE2-NE 2.85Å; E497-R500 IonicContact OE2-NH2 2.68Å; E497-R500 PolarHBondContact OE2-NH2 2.99Å; E497-W528 WeakPolarHBondContact O-CH2 3.4Å
498	G	89	Confident	89	Confident	3 Å²	3	34.5 Å²	34.5	3%	0.031	18%	0.182	C	C	.	.			trans	-79.6	-41.2	-174.7	0	0	0	0	0	112.7	G480 M496 K526	G480-G498 CarbonylContact O-C 3.6Å; G480-G498 VanDerWaalsContact O-CA 3.32Å; G480-G498 WeakPolarHBondContact O-CA 3.42Å; G480-G498 PolarHBondContact O-N 3.22Å; M496-G498 PolarHBondContact O-N 3.12Å; G498-K526 WeakPolarHBondContact O-CD 3.09Å; G498-K526 WeakPolarHBondContact O-CE 3.41Å
499	D	84.1	Confident	89.2	Confident	8 Å²	8	30.4 Å²	30.4	4%	0.043	16%	0.162	C	C	.	.			trans	-149.2	134.5	-174.5	-168.8	-59.8	0	0	0	110.3	G480 G501 G502 V504 D522 K526	G480-D499 PolarHBondContact O-N 3.3Å; D499-G501 WeakPolarHBondContact OD1-CA 3.45Å; D499-G501 PolarHBondContact OD1-N 3.12Å; D499-G502 WeakPolarHBondContact CB-O 3.28Å; D499-G502 PolarHBondContact OD1-N 3.38Å; D499-G502 VanDerWaalsContact OD1-N 3.11Å; D499-V504 HydrophobicContact CB-CG2 3.77Å; D499-D522 VanDerWaalsContact OD2-CB 3.31Å; D499-D522 WeakPolarHBondContact OD2-CB 3.17Å; D499-K526 IonicContact OD2-NZ 3.69Å; D499-K526 PolarHBondContact OD2-NZ 2.93Å
500	R	71.8	Confident	89.5	Confident	191 Å²	191	29.3 Å²	29.3	72%	0.721	15%	0.152	S	C	*	.	S	Bend	trans	-92.9	-18.6	-176.7	-69.4	-168.5	175.7	172.2	3.1	113.3	E497	E497-R500 VanDerWaalsContact CD-NE 3.29Å; E497-R500 HydrophobicContact CG-CG 4.31Å; E497-R500 WeakPolarHBondContact OE1-CG 3.43Å; E497-R500 IonicContact OE1-NE 2.64Å; E497-R500 PolarHBondContact OE1-NE 3.38Å; E497-R500 IonicContact OE2-CZ 3.29Å; E497-R500 VanDerWaalsContact OE2-CZ 3.25Å; E497-R500 IonicContact OE2-NE 3.4Å; E497-R500 PolarHBondContact OE2-NE 2.85Å; E497-R500 IonicContact OE2-NH2 2.68Å; E497-R500 PolarHBondContact OE2-NH2 2.99Å
501	G	66.9	Low	89.5	Confident	41 Å²	41	31.6 Å²	31.6	42%	0.423	17%	0.166	S	C	.	.	S	Bend	trans	-82.2	-24.2	176.6	0	0	0	0	0	112.6	D499	D499-G501 WeakPolarHBondContact OD1-CA 3.45Å; D499-G501 PolarHBondContact OD1-N 3.12Å
502	G	78.5	Confident	89.5	Confident	24 Å²	24	33.5 Å²	33.5	25%	0.247	18%	0.177	C	C	.	.	S	Bend	trans	151.7	-129.8	176.3	0	0	0	0	0	112	G480 D499	G480-G502 WeakPolarHBondContact CA-O 3.3Å; D499-G502 WeakPolarHBondContact CB-O 3.28Å; D499-G502 PolarHBondContact OD1-N 3.38Å; D499-G502 VanDerWaalsContact OD1-N 3.11Å
503	V	88.2	Confident	89.5	Confident	12 Å²	12	36.7 Å²	36.7	7%	0.073	19%	0.194	C	C	.	.			trans	-58.2	136	-167.8	-169.8	0	0	0	0	114.2	T459 D478 N505 G520 L521	T459-V503 HydrophobicContact CG2-CB 4.37Å; T459-V503 HydrophobicContact CG2-CG1 4.04Å; T459-V503 HydrophobicContact CG2-CG2 4.09Å; T459-V503 WeakPolarHBondContact OG1-CG1 3.27Å; D478-V503 HydrophobicContact CB-CG2 4.29Å; D478-V503 WeakPolarHBondContact OD1-CG1 3.44Å; D478-V503 WeakPolarHBondContact OD1-CG2 3.45Å; V503-N505 WeakPolarHBondContact CG1-OD1 3.42Å; V503-G520 CarbonylContact O-C 3.55Å; V503-G520 WeakPolarHBondContact O-CA 3.22Å; V503-L521 HydrophobicContact CB-CD1 4.11Å; V503-L521 HydrophobicContact CB-CG 4.25Å; V503-L521 HydrophobicContact CG2-CD1 3.88Å; V503-L521 PolarHBondContact O-N 3.13Å; V503-L521 VanDerWaalsContact O-N 3.09Å
504	V	90.8	Very high	89.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	113.2	162.5	178.8	0	0	0	0	108.6	S477 I482 D499	S477-V504 PolarHBondContact N-O 3.35Å; S477-V504 PolarHBondContact O-N 2.93Å; S477-V504 VanDerWaalsContact O-N 3.11Å; I482-V504 HydrophobicContact CG1-CG1 4.17Å; I482-V504 HydrophobicContact CG1-CG2 4.22Å; D499-V504 HydrophobicContact CB-CG2 3.77Å
505	N	88.8	Confident	89.5	Confident	17 Å²	17	38 Å²	38	9%	0.091	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-39.7	-174.7	-72.9	-39.6	0	0	0	112.8	T459 G462 V503 S519 L521	T459-N505 VanDerWaalsContact CB-OD1 3.24Å; T459-N505 WeakPolarHBondContact CB-OD1 3.44Å; T459-N505 PolarHBondContact OG1-OD1 3.06Å; G462-N505 PolarHBondContact N-O 3.06Å; V503-N505 WeakPolarHBondContact CG1-OD1 3.42Å; N505-S519 PolarHBondContact N-O 3.33Å; N505-L521 WeakPolarHBondContact ND2-CD2 3.47Å
506	C	90.8	Very high	89.6	Confident	17 Å²	17	37.4 Å²	37.4	12%	0.115	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	142.1	-172.8	-156.9	0	0	0	0	111.5	N220 L222 T518 S519	N220-C506 WeakPolarHBondContact O-CB 3.18Å; N220-C506 PolarHBondContact O-SG 2.98Å; L222-C506 HydrophobicContact CD1-CB 4.49Å; L222-C506 PolarHBondContact N-SG 3.36Å; C506-T518 CarbonylContact O-C 3.52Å; C506-T518 VanDerWaalsContact O-CA 3.3Å; C506-T518 WeakPolarHBondContact O-CA 3.29Å; C506-S519 WeakPolarHBondContact CB-OG 3.08Å; C506-S519 PolarHBondContact N-O 3.02Å; C506-S519 PolarHBondContact O-N 2.99Å
507	L	94.6	Very high	89.7	Confident	7 Å²	7	36.7 Å²	36.7	4%	0.037	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	139.7	175.3	63.1	96.3	0	0	0	110.2	G462 N464 V474 S475 A517 T518	G462-L507 WeakPolarHBondContact O-CD2 3.38Å; N464-L507 HydrophobicContact CB-CD1 3.53Å; V474-L507 HydrophobicContact CB-CD1 4.33Å; V474-L507 HydrophobicContact CG1-CD1 3.6Å; V474-L507 HydrophobicContact CG2-CD1 3.95Å; V474-L507 HydrophobicContact CG2-CD2 4.19Å; S475-L507 VanDerWaalsContact C-CD2 3.49Å; L507-A517 WeakPolarHBondContact CA-O 3.24Å; L507-T518 HydrophobicContact CB-CG2 3.78Å
508	E	96.7	Very high	89.9	Confident	38 Å²	38	32.1 Å²	32.1	18%	0.178	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	115.2	178.6	-172.2	78.2	133	0	0	109.6	L222 H223 F224 N464 M516 A517	L222-E508 HydrophobicContact CB-CB 3.98Å; H223-E508 IonicContact CD2-OE1 2.66Å; H223-E508 PolarHBondContact CD2-OE1 3.22Å; H223-E508 VanDerWaalsContact CD2-OE1 3.24Å; H223-E508 IonicContact CG-OE1 2.97Å; F224-E508 HydrophobicContact CD2-CB 4.47Å; F224-E508 HydrophobicContact CD2-CG 3.79Å; F224-E508 HydrophobicContact CE2-CG 4.3Å; F224-E508 WeakPolarHBondContact CE2-O 3.29Å; N464-E508 PolarHBondContact ND2-OE2 3.03Å; E508-M516 WeakPolarHBondContact O-CA 3.35Å; E508-M516 WeakPolarHBondContact O-CB 3.4Å; E508-A517 PolarHBondContact N-O 3.14Å; E508-A517 PolarHBondContact O-N 2.57Å
509	P	96.8	Very high	90.1	Very high	20 Å²	20	32.1 Å²	32.1	13%	0.13	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	143.6	169.3	-22.4	36	0	0	0	112.2	N464 Y466 V474	N464-P509 HydrophobicContact CB-CG 4.41Å; N464-P509 VanDerWaalsContact ND2-CD 3.32Å; N464-P509 WeakPolarHBondContact ND2-CD 3.32Å; Y466-P509 HydrophobicContact CD2-CB 3.96Å; Y466-P509 HydrophobicContact CD2-CG 4.21Å; V474-P509 HydrophobicContact CG1-CG 4.27Å
510	H	96.3	Very high	90.2	Very high	17 Å²	17	31.7 Å²	31.7	8%	0.079	18%	0.175	C	C	.	.			trans	-73.5	131.1	175.4	-179.1	-73.5	0	0	0	110.5	F224 G228 W245 H512 L513 G515	F224-H510 AromaticContact CD1-CD2 3.8Å; F224-H510 HydrophobicContact CD2-CB 4.34Å; F224-H510 AromaticContact CE1-CD2 3.66Å; F224-H510 HydrophobicContact CE2-CB 3.96Å; F224-H510 HydrophobicContact CZ-CB 4.08Å; G228-H510 VanDerWaalsContact CA-NE2 3.35Å; G228-H510 WeakPolarHBondContact CA-NE2 3.4Å; G228-H510 PolarHBondContact O-NE2 3.36Å; W245-H510 AromaticContact CE2-CD2 3.86Å; W245-H510 AromaticContact CZ2-CD2 3.43Å; W245-H510 VanDerWaalsContact CZ2-CD2 3.43Å; W245-H510 WeakPolarHBondContact CZ2-CD2 3.26Å; W245-H510 AromaticContact CZ2-NE2 3.47Å; W245-H510 WeakPolarHBondContact CZ2-NE2 3.4Å; H510-H512 PolarHBondContact ND1-N 3.42Å; H510-H512 VanDerWaalsContact ND1-N 3.11Å; H510-H512 PolarHBondContact O-N 2.87Å; H510-L513 VanDerWaalsContact CE1-CG 3.48Å; H510-L513 WeakPolarHBondContact CE1-CG 3.42Å; H510-L513 WeakPolarHBondContact ND1-CB 3.48Å; H510-L513 PolarHBondContact ND1-N 3.08Å; H510-G515 WeakPolarHBondContact CB-O 3.33Å; H510-G515 PolarHBondContact N-O 2.85Å
511	P	92.4	Very high	90.9	Very high	57 Å²	57	23.5 Å²	23.5	37%	0.37	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-33.4	-169.1	21.9	-33.5	0	0	0	114.9	F224	F224-P511 HydrophobicContact CB-CG 4.27Å
512	H	90.4	Very high	91.7	Very high	96 Å²	96	22.6 Å²	22.6	44%	0.444	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.9	5.8	-170.7	-52.4	-64.1	0	0	0	115.9	V193 P226 S227 H510	V193-H512 WeakPolarHBondContact CG1-O 3.31Å; P226-H512 PolarHBondContact O-NE2 3.18Å; S227-H512 PolarHBondContact O-CD2 2.89Å; H510-H512 PolarHBondContact ND1-N 3.42Å; H510-H512 VanDerWaalsContact ND1-N 3.11Å; H510-H512 PolarHBondContact O-N 2.87Å
513	L	93	Very high	92.2	Very high	84 Å²	84	24.7 Å²	24.7	44%	0.44	13%	0.134	S	C	.	.	S	Bend	trans	-142.4	153.3	-172.1	-65.4	174.8	0	0	0	109.9	W245 H510 G515	W245-L513 HydrophobicContact CH2-CD1 4.06Å; W245-L513 HydrophobicContact CZ2-CD1 4.13Å; H510-L513 VanDerWaalsContact CE1-CG 3.48Å; H510-L513 WeakPolarHBondContact CE1-CG 3.42Å; H510-L513 WeakPolarHBondContact ND1-CB 3.48Å; H510-L513 PolarHBondContact ND1-N 3.08Å; L513-G515 PolarHBondContact O-N 3.43Å
514	P	92.4	Very high	92.4	Very high	28 Å²	28	24.2 Å²	24.2	18%	0.182	13%	0.131	C	C	.	.	S	Bend	trans	-75.9	89.6	175.9	32.4	-33.9	0	0	0	109.3	V196 L202 Y466 P530	V196-P514 HydrophobicContact CG1-CG 4.26Å; L202-P514 HydrophobicContact CD2-CB 4.15Å; L202-P514 HydrophobicContact CD2-CG 4.06Å; Y466-P514 WeakPolarHBondContact OH-CA 3.38Å; P514-P530 HydrophobicContact CB-CG 4.01Å; P514-P530 HydrophobicContact CG-CG 4Å; P514-P530 WeakPolarHBondContact O-CD 3.43Å
515	G	95.1	Very high	92.6	Very high	9 Å²	9	24.2 Å²	24.2	9%	0.093	13%	0.131	C	C	.	.			trans	-176.9	171.3	178.5	0	0	0	0	0	112.3	Y466 H510 L513 W528	Y466-G515 PolarHBondContact OH-N 3.2Å; H510-G515 WeakPolarHBondContact CB-O 3.33Å; H510-G515 PolarHBondContact N-O 2.85Å; L513-G515 PolarHBondContact O-N 3.43Å; G515-W528 WeakPolarHBondContact CA-O 3.31Å
516	M	96.9	Very high	93	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.025	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	159.6	179.1	63.1	-177.6	-169.5	0	0	111.7	L206 Y466 V474 I482 L484 M496 E508 T518 W528	L206-M516 HydrophobicContact CD1-CE 4.5Å; Y466-M516 HydrophobicContact CD2-SD 4.49Å; V474-M516 HydrophobicContact CG2-SD 4.16Å; I482-M516 HydrophobicContact CD1-CE 4.31Å; I482-M516 HydrophobicContact CG2-CE 3.95Å; L484-M516 HydrophobicContact CD1-CE 4.41Å; M496-M516 HydrophobicContact CE-CE 3.46Å; M496-M516 VanDerWaalsContact CE-CE 3.46Å; E508-M516 WeakPolarHBondContact O-CA 3.35Å; E508-M516 WeakPolarHBondContact O-CB 3.4Å; M516-T518 HydrophobicContact CE-CG2 4.22Å; M516-W528 HydrophobicContact CE-CB 4.06Å; M516-W528 HydrophobicContact CE-CD2 4.34Å; M516-W528 HydrophobicContact CE-CG 3.82Å; M516-W528 HydrophobicContact CG-CB 3.8Å; M516-W528 HydrophobicContact CG-CG 4.14Å; M516-W528 PolarHBondContact N-O 2.83Å; M516-W528 VanDerWaalsContact N-O 3.11Å; M516-W528 PolarHBondContact O-N 2.88Å
517	A	97.6	Very high	93.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.7	169.2	0	0	0	0	0	109.9	L222 F224 L231 L507 E508 I525 K526 L527	L222-A517 HydrophobicContact CD1-CB 4.02Å; F224-A517 HydrophobicContact CE2-CB 4.28Å; F224-A517 HydrophobicContact CZ-CB 4.12Å; L231-A517 HydrophobicContact CD1-CB 4.44Å; L231-A517 HydrophobicContact CD2-CB 3.83Å; L507-A517 WeakPolarHBondContact CA-O 3.24Å; E508-A517 PolarHBondContact N-O 3.14Å; E508-A517 PolarHBondContact O-N 2.57Å; A517-I525 HydrophobicContact CB-CG2 4.04Å; A517-K526 WeakPolarHBondContact CA-O 3.44Å; A517-L527 HydrophobicContact CB-CD2 3.84Å
518	T	96.8	Very high	93.5	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	150.4	175.5	65.3	0	0	0	0	112	I482 C506 L507 M516 K526 W528	I482-T518 HydrophobicContact CD1-CG2 3.78Å; I482-T518 HydrophobicContact CG1-CG2 4.39Å; C506-T518 CarbonylContact O-C 3.52Å; C506-T518 VanDerWaalsContact O-CA 3.3Å; C506-T518 WeakPolarHBondContact O-CA 3.29Å; L507-T518 HydrophobicContact CB-CG2 3.78Å; M516-T518 HydrophobicContact CE-CG2 4.22Å; T518-K526 PolarHBondContact N-O 2.84Å; T518-K526 PolarHBondContact O-N 2.82Å; T518-W528 PolarHBondContact OG1-NE1 2.74Å
519	S	93.8	Very high	93.5	Very high	2 Å²	2	23 Å²	23	1%	0.014	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	158	172.2	57.9	0	0	0	0	112.1	V219 N505 C506	V219-S519 WeakPolarHBondContact O-CB 3.38Å; V219-S519 PolarHBondContact O-OG 2.83Å; N505-S519 PolarHBondContact N-O 3.33Å; C506-S519 WeakPolarHBondContact CB-OG 3.08Å; C506-S519 PolarHBondContact N-O 3.02Å; C506-S519 PolarHBondContact O-N 2.99Å
520	G	86.4	Confident	93.4	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	-144.3	-172.5	0	0	0	0	0	113.3	V503	V503-G520 CarbonylContact O-C 3.55Å; V503-G520 WeakPolarHBondContact O-CA 3.22Å
521	L	85	Confident	93.4	Very high	19 Å²	19	25.2 Å²	25.2	10%	0.099	14%	0.141	C	C	.	.	S	Bend	trans	-79.9	-3.8	161.6	-63.5	174.8	0	0	0	112.3	V503 N505	V503-L521 HydrophobicContact CB-CD1 4.11Å; V503-L521 HydrophobicContact CB-CG 4.25Å; V503-L521 HydrophobicContact CG2-CD1 3.88Å; V503-L521 PolarHBondContact O-N 3.13Å; V503-L521 VanDerWaalsContact O-N 3.09Å; N505-L521 WeakPolarHBondContact ND2-CD2 3.47Å
522	D	83.8	Confident	93.5	Very high	21 Å²	21	23.6 Å²	23.6	11%	0.112	13%	0.132	C	C	.	.	S	Bend	trans	-68.8	168.9	161.3	-87.2	-24.6	0	0	0	112.6	C218 V219 D499 D524 K526 R578	C218-D522 WeakPolarHBondContact CA-O 3.24Å; V219-D522 PolarHBondContact N-O 2.65Å; D499-D522 VanDerWaalsContact OD2-CB 3.31Å; D499-D522 WeakPolarHBondContact OD2-CB 3.17Å; D522-D524 WeakPolarHBondContact CB-OD1 3.29Å; D522-K526 IonicContact OD2-NZ 2.86Å; D522-K526 PolarHBondContact OD2-NZ 2.64Å; D522-R578 IonicContact OD1-NH2 2.98Å
523	H	89.4	Confident	93.6	Very high	69 Å²	69	27.2 Å²	27.2	32%	0.319	15%	0.15	S	C	.	.	S	Bend	trans	-103.4	2.5	-177.6	63.7	-55.2	0	0	0	113	H215 G217	H215-H523 PolarHBondContact O-CD2 2.7Å; G217-H523 WeakPolarHBondContact O-CA 3.35Å; G217-H523 WeakPolarHBondContact O-CB 3.3Å
524	D	92.4	Very high	93.6	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.011	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	162.5	176.9	75.8	-35.2	0	0	0	111.7	R211 L212 E213 D522 K526	R211-D524 HydrophobicContact CB-CB 4.49Å; R211-D524 WeakPolarHBondContact CD-OD2 3.28Å; R211-D524 VanDerWaalsContact CG-OD2 3.28Å; R211-D524 WeakPolarHBondContact CG-OD2 3.24Å; R211-D524 IonicContact CZ-OD2 3.98Å; R211-D524 IonicContact NE-OD2 3.47Å; R211-D524 IonicContact NH1-OD1 3.24Å; R211-D524 IonicContact NH1-OD2 2.87Å; R211-D524 PolarHBondContact NH1-OD2 3.49Å; L212-D524 WeakPolarHBondContact O-CA 3.15Å; E213-D524 HydrophobicContact CG-CB 3.76Å; D522-D524 WeakPolarHBondContact CB-OD1 3.29Å; D524-K526 WeakPolarHBondContact OD1-CE 3.49Å; D524-K526 IonicContact OD1-NZ 2.73Å; D524-K526 PolarHBondContact OD1-NZ 2.89Å; D524-K526 WeakPolarHBondContact OD2-CE 3.49Å; D524-K526 WeakPolarHBondContact OD2-CG 3.13Å; D524-K526 IonicContact OD2-NZ 2.79Å
525	I	96.3	Very high	93.5	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126.6	173.9	-47.3	165.7	0	0	0	108	R211 L212 V219 L222 L231 S233 W243 A517	R211-I525 CarbonylContact C-O 3.35Å; R211-I525 VanDerWaalsContact CA-O 3.24Å; R211-I525 WeakPolarHBondContact CA-O 3.31Å; L212-I525 HydrophobicContact CB-CB 4.03Å; L212-I525 HydrophobicContact CB-CD1 4.31Å; L212-I525 HydrophobicContact CB-CG1 4.48Å; L212-I525 HydrophobicContact CD1-CB 4.29Å; L212-I525 HydrophobicContact CD1-CD1 4.3Å; L212-I525 HydrophobicContact CD1-CG2 4.48Å; L212-I525 HydrophobicContact CG-CB 4.41Å; L212-I525 PolarHBondContact N-O 3.04Å; L212-I525 PolarHBondContact O-N 2.82Å; V219-I525 HydrophobicContact CG1-CG1 4.19Å; L222-I525 HydrophobicContact CD1-CG2 3.9Å; L222-I525 HydrophobicContact CD2-CB 4.33Å; L222-I525 HydrophobicContact CD2-CD1 3.78Å; L222-I525 HydrophobicContact CD2-CG1 3.91Å; L222-I525 HydrophobicContact CD2-CG2 3.5Å; L222-I525 HydrophobicContact CG-CG2 4.38Å; L231-I525 HydrophobicContact CD2-CG2 4.2Å; S233-I525 VanDerWaalsContact CB-CD1 3.41Å; W243-I525 HydrophobicContact CZ2-CD1 3.94Å; A517-I525 HydrophobicContact CB-CG2 4.04Å
526	K	96.5	Very high	93.3	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.009	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	123.5	-169.2	-60.6	172.4	172.7	88	0	108.8	L208 R211 G498 D499 A517 T518 D522 D524 W528	L208-K526 HydrophobicContact CD1-CB 3.81Å; R211-K526 HydrophobicContact CG-CG 4.46Å; G498-K526 WeakPolarHBondContact O-CD 3.09Å; G498-K526 WeakPolarHBondContact O-CE 3.41Å; D499-K526 IonicContact OD2-NZ 3.69Å; D499-K526 PolarHBondContact OD2-NZ 2.93Å; A517-K526 WeakPolarHBondContact CA-O 3.44Å; T518-K526 PolarHBondContact N-O 2.84Å; T518-K526 PolarHBondContact O-N 2.82Å; D522-K526 IonicContact OD2-NZ 2.86Å; D522-K526 PolarHBondContact OD2-NZ 2.64Å; D524-K526 WeakPolarHBondContact OD1-CE 3.49Å; D524-K526 IonicContact OD1-NZ 2.73Å; D524-K526 PolarHBondContact OD1-NZ 2.89Å; D524-K526 WeakPolarHBondContact OD2-CE 3.49Å; D524-K526 WeakPolarHBondContact OD2-CG 3.13Å; D524-K526 IonicContact OD2-NZ 2.79Å; K526-W528 HydrophobicContact CB-CZ2 4.43Å; K526-W528 PolarHBondContact O-NE1 2.84Å
527	L	97.8	Very high	92.8	Very high	11 Å²	11	35 Å²	35	6%	0.058	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.3	-172.4	-63.5	178.1	0	0	0	111.5	Q209 G210 L212 L231 W245 A517	Q209-L527 PolarHBondContact N-O 2.64Å; G210-L527 PolarHBondContact O-N 2.88Å; L212-L527 HydrophobicContact CD1-CD1 4.19Å; L212-L527 HydrophobicContact CD1-CD2 4.23Å; L212-L527 HydrophobicContact CD1-CG 4.39Å; L212-L527 HydrophobicContact CD2-CD1 3.93Å; L212-L527 HydrophobicContact CG-CD1 3.98Å; L212-L527 HydrophobicContact CG-CG 4.27Å; L231-L527 HydrophobicContact CD2-CD2 4.42Å; W245-L527 HydrophobicContact CB-CD1 4.36Å; W245-L527 HydrophobicContact CE3-CD1 4.44Å; W245-L527 WeakPolarHBondContact O-CD1 3.21Å; A517-L527 HydrophobicContact CB-CD2 3.84Å
528	W	97.6	Very high	92.4	Very high	14 Å²	14	36.5 Å²	36.5	5%	0.053	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	133	-172.5	-55.1	86.9	0	0	0	111.8	E207 L208 I482 M496 E497 G515 M516 T518 K526	E207-W528 WeakPolarHBondContact O-CA 3.32Å; L208-W528 HydrophobicContact CB-CE3 4.14Å; L208-W528 HydrophobicContact CB-CH2 3.95Å; L208-W528 HydrophobicContact CB-CZ3 3.76Å; L208-W528 HydrophobicContact CD1-CH2 4.38Å; L208-W528 HydrophobicContact CD1-CZ2 4.13Å; I482-W528 HydrophobicContact CD1-CD2 4.47Å; I482-W528 HydrophobicContact CD1-CH2 4.32Å; I482-W528 HydrophobicContact CD1-CZ2 3.59Å; M496-W528 HydrophobicContact CB-CH2 4.18Å; M496-W528 HydrophobicContact CB-CZ3 3.95Å; M496-W528 HydrophobicContact CE-CE3 4.39Å; M496-W528 HydrophobicContact CG-CZ3 4.2Å; M496-W528 HydrophobicContact SD-CD2 4.39Å; M496-W528 HydrophobicContact SD-CE3 3.59Å; M496-W528 VanDerWaalsContact SD-CE3 3.59Å; M496-W528 HydrophobicContact SD-CZ3 3.81Å; E497-W528 WeakPolarHBondContact O-CH2 3.4Å; G515-W528 WeakPolarHBondContact CA-O 3.31Å; M516-W528 HydrophobicContact CE-CB 4.06Å; M516-W528 HydrophobicContact CE-CD2 4.34Å; M516-W528 HydrophobicContact CE-CG 3.82Å; M516-W528 HydrophobicContact CG-CB 3.8Å; M516-W528 HydrophobicContact CG-CG 4.14Å; M516-W528 PolarHBondContact N-O 2.83Å; M516-W528 VanDerWaalsContact N-O 3.11Å; M516-W528 PolarHBondContact O-N 2.88Å; T518-W528 PolarHBondContact OG1-NE1 2.74Å; K526-W528 HydrophobicContact CB-CZ2 4.43Å; K526-W528 PolarHBondContact O-NE1 2.84Å
529	A	96.5	Very high	92	Very high	25 Å²	25	45.4 Å²	45.4	21%	0.207	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	157.9	177.8	0	0	0	0	0	111.5	L206 E207 Q209 T531	L206-A529 WeakPolarHBondContact CA-O 3.47Å; E207-A529 PolarHBondContact N-O 3.34Å; E207-A529 PolarHBondContact O-N 2.88Å; Q209-A529 HydrophobicContact CG-CB 3.45Å; Q209-A529 VanDerWaalsContact CG-CB 3.45Å; A529-T531 VanDerWaalsContact C-N 3.28Å; A529-T531 PolarHBondContact O-N 3.19Å
530	P	95.7	Very high	91.7	Very high	20 Å²	20	47.4 Å²	47.4	13%	0.13	28%	0.276	C	S	.	.	S	Bend	trans	-83.6	59	-170.2	35.5	-41.3	0	0	0	113.1	L202 R205 L206 P514	L202-P530 HydrophobicContact CB-CB 3.77Å; L202-P530 HydrophobicContact CB-CG 4.18Å; L202-P530 HydrophobicContact CD2-CB 4.18Å; L202-P530 HydrophobicContact CD2-CG 3.78Å; L202-P530 HydrophobicContact CG-CB 4.22Å; L202-P530 HydrophobicContact CG-CG 4.37Å; L202-P530 VanDerWaalsContact O-CB 3.23Å; L202-P530 WeakPolarHBondContact O-CB 3.23Å; R205-P530 HydrophobicContact CB-CB 4.38Å; R205-P530 PolarHBondContact NH1-O 3.45Å; R205-P530 PolarHBondContact NH2-O 2.7Å; R205-P530 CarbonylContact O-C 3.59Å; R205-P530 VanDerWaalsContact O-CA 3.25Å; R205-P530 WeakPolarHBondContact O-CA 3.28Å; L206-P530 HydrophobicContact CD2-CB 4.49Å; P514-P530 HydrophobicContact CB-CG 4.01Å; P514-P530 HydrophobicContact CG-CG 4Å; P514-P530 WeakPolarHBondContact O-CD 3.43Å
531	T	95.6	Very high	91.9	Very high	65 Å²	65	47.6 Å²	47.6	40%	0.399	28%	0.277	S	S	.	.			trans	-94.6	-32.8	-175.1	45.8	0	0	0	0	114.3	R205 E207 Q209 A529 E533	R205-T531 PolarHBondContact NH2-O 3.37Å; R205-T531 PolarHBondContact O-N 2.89Å; E207-T531 PolarHBondContact OE2-OG1 2.81Å; Q209-T531 PolarHBondContact NE2-OG1 2.65Å; Q209-T531 VanDerWaalsContact OE1-CG2 3.25Å; Q209-T531 PolarHBondContact OE1-OG1 2.8Å; A529-T531 VanDerWaalsContact C-N 3.28Å; A529-T531 PolarHBondContact O-N 3.19Å; T531-E533 PolarHBondContact O-N 3.23Å
532	A	95	Very high	92.1	Very high	22 Å²	22	50 Å²	50	18%	0.182	29%	0.286	C	S	.	.			trans	-47.2	128.1	-176.7	0	0	0	0	0	111.8	R205 E207 N534	R205-A532 WeakPolarHBondContact CG-O 3.39Å; R205-A532 PolarHBondContact NE-O 3.16Å; R205-A532 PolarHBondContact NH2-O 3.31Å; R205-A532 WeakPolarHBondContact O-CB 3.47Å; R205-A532 PolarHBondContact O-N 2.88Å; E207-A532 HydrophobicContact CB-CB 4.09Å; E207-A532 VanDerWaalsContact OE2-CA 3.22Å; E207-A532 WeakPolarHBondContact OE2-CA 3.17Å; E207-A532 PolarHBondContact OE2-N 3.25Å; E207-A532 VanDerWaalsContact OE2-N 3.12Å; A532-N534 VanDerWaalsContact C-N 3.26Å; A532-N534 PolarHBondContact O-N 2.77Å
533	E	92.4	Very high	92.4	Very high	172 Å²	172	54.6 Å²	54.6	80%	0.804	31%	0.307	S	S	*	.	S	Bend	trans	-54.5	-45.4	-172.8	-62	-176.1	153.7	0	0	112	R205 T531	R205-E533 PolarHBondContact NE-O 2.89Å; T531-E533 PolarHBondContact O-N 3.23Å
534	N	92.2	Very high	92.5	Very high	117 Å²	117	52.6 Å²	52.6	63%	0.626	30%	0.3	S	S	*	.	S	Bend	trans	-107.7	148.5	-174.7	-67.9	-80.1	0	0	0	111.8	A532	A532-N534 VanDerWaalsContact C-N 3.26Å; A532-N534 PolarHBondContact O-N 2.77Å
535	P	90.2	Very high	92.4	Very high	75 Å²	75	52.6 Å²	52.6	49%	0.487	30%	0.3	S	S	.	.			trans	-55.7	147.9	167.7	-25.1	35.5	0	0	0	112.9	Q204	Q204-P535 HydrophobicContact CB-CB 4.04Å; Q204-P535 CarbonylContact O-C 3.52Å; Q204-P535 WeakPolarHBondContact O-CA 3.28Å
536	T	90.5	Very high	92	Very high	36 Å²	36	54.4 Å²	54.4	22%	0.221	31%	0.308	C	S	.	.			trans	-55.3	135.5	174.4	-172.9	0	0	0	0	112.2	Q204 V493 Q494 L538	Q204-T536 HydrophobicContact CB-CG2 4.12Å; Q204-T536 HydrophobicContact CG-CG2 4.32Å; Q204-T536 WeakPolarHBondContact O-CB 3.42Å; Q204-T536 PolarHBondContact O-N 3.19Å; V493-T536 WeakPolarHBondContact O-CG2 3.43Å; Q494-T536 VanDerWaalsContact OE1-CG2 3.31Å; Q494-T536 PolarHBondContact OE1-OG1 3.37Å; T536-L538 HydrophobicContact CG2-CD2 3.85Å; T536-L538 HydrophobicContact CG2-CG 4.39Å; T536-L538 PolarHBondContact OG1-N 3.3Å
537	G	86.4	Confident	91.8	Very high	62 Å²	62	58.9 Å²	58.9	64%	0.639	33%	0.327	S	S	*	.			trans	-95.9	12.9	171.9	0	0	0	0	0	113.7	K539	G537-K539 PolarHBondContact O-N 3.46Å
538	L	90.1	Very high	91.4	Very high	32 Å²	32	58.6 Å²	58.6	17%	0.168	33%	0.326	C	S	.	.			trans	48.3	37.1	-179.9	-56.2	179.2	0	0	0	113.8	L166 I492 F495 T536 G540 L541	L166-L538 HydrophobicContact CD2-CD1 3.81Å; I492-L538 HydrophobicContact CG2-CD1 4.47Å; I492-L538 HydrophobicContact CG2-CD2 4.16Å; F495-L538 HydrophobicContact CB-CD2 3.87Å; T536-L538 HydrophobicContact CG2-CD2 3.85Å; T536-L538 HydrophobicContact CG2-CG 4.39Å; T536-L538 PolarHBondContact OG1-N 3.3Å; L538-G540 PolarHBondContact O-N 2.85Å; L538-L541 HydrophobicContact CB-CB 4.2Å; L538-L541 HydrophobicContact CB-CD2 3.86Å; L538-L541 HydrophobicContact CD1-CD2 3.91Å; L538-L541 HydrophobicContact CD2-CD2 4.34Å; L538-L541 HydrophobicContact CG-CD2 4.25Å; L538-L541 WeakPolarHBondContact O-CB 3.31Å; L538-L541 PolarHBondContact O-N 3.38Å
539	K	88.3	Confident	90.9	Very high	187 Å²	187	60.4 Å²	60.4	81%	0.813	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	132.6	-174.3	-65.1	-179.5	-179.6	176.6	0	110.8	G537 L541	G537-K539 PolarHBondContact O-N 3.46Å; K539-L541 PolarHBondContact O-N 3.35Å
540	G	88.4	Confident	90.5	Very high	45 Å²	45	65.2 Å²	65.2	46%	0.464	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	-9.5	179.6	0	0	0	0	0	115.5	L538 K542 E543 V544	L538-G540 PolarHBondContact O-N 2.85Å; G540-K542 VanDerWaalsContact C-N 3.35Å; G540-K542 PolarHBondContact O-N 2.92Å; G540-E543 PolarHBondContact O-N 3.47Å; G540-E543 VanDerWaalsContact O-N 3.17Å; G540-V544 PolarHBondContact O-N 3.12Å; G540-V544 VanDerWaalsContact O-N 3.08Å
541	L	90.3	Very high	90.1	Very high	4 Å²	4	66.9 Å²	66.9	2%	0.021	35%	0.353	C	S	.	.	H	α-helix	trans	-51.7	-50.8	-177.2	173.4	62.3	0	0	0	112.4	L166 Y483 I492 F495 L538 K539 E543 V544 M545	L166-L541 HydrophobicContact CD2-CD2 4.38Å; Y483-L541 HydrophobicContact CD1-CD1 4.33Å; Y483-L541 HydrophobicContact CE1-CD1 3.8Å; I492-L541 HydrophobicContact CB-CD2 4.17Å; I492-L541 HydrophobicContact CD1-CD1 3.9Å; I492-L541 HydrophobicContact CD1-CD2 4.02Å; I492-L541 HydrophobicContact CD1-CG 4.46Å; I492-L541 HydrophobicContact CG2-CD2 3.8Å; F495-L541 HydrophobicContact CB-CD1 4.05Å; F495-L541 HydrophobicContact CD1-CB 3.81Å; F495-L541 HydrophobicContact CD1-CD1 4.1Å; F495-L541 HydrophobicContact CD2-CD1 3.43Å; F495-L541 VanDerWaalsContact CD2-CD1 3.43Å; F495-L541 HydrophobicContact CE1-CB 4.06Å; F495-L541 HydrophobicContact CE1-CD1 4.38Å; F495-L541 HydrophobicContact CE2-CD1 3.74Å; F495-L541 HydrophobicContact CG-CB 4.13Å; F495-L541 HydrophobicContact CG-CD1 3.6Å; F495-L541 HydrophobicContact CG-CG 4.37Å; F495-L541 HydrophobicContact CZ-CD1 4.19Å; L538-L541 HydrophobicContact CB-CB 4.2Å; L538-L541 HydrophobicContact CB-CD2 3.86Å; L538-L541 HydrophobicContact CD1-CD2 3.91Å; L538-L541 HydrophobicContact CD2-CD2 4.34Å; L538-L541 HydrophobicContact CG-CD2 4.25Å; L538-L541 WeakPolarHBondContact O-CB 3.31Å; L538-L541 PolarHBondContact O-N 3.38Å; K539-L541 PolarHBondContact O-N 3.35Å; L541-E543 PolarHBondContact O-N 3.15Å; L541-V544 PolarHBondContact O-N 3.39Å; L541-M545 HydrophobicContact CD1-CG 3.91Å; L541-M545 HydrophobicContact CD1-SD 3.37Å; L541-M545 WeakPolarHBondContact CD1-SD 3.36Å; L541-M545 HydrophobicContact CD2-SD 4.13Å; L541-M545 HydrophobicContact CG-CG 4.39Å; L541-M545 HydrophobicContact CG-SD 3.46Å; L541-M545 WeakPolarHBondContact CG-SD 3.42Å; L541-M545 WeakPolarHBondContact O-CB 3.45Å; L541-M545 VanDerWaalsContact O-CG 3.24Å; L541-M545 WeakPolarHBondContact O-CG 2.99Å; L541-M545 PolarHBondContact O-N 3.04Å
542	K	88.4	Confident	89.6	Confident	68 Å²	68	65.5 Å²	65.5	30%	0.296	34%	0.34	S	S	.	.	H	α-helix	trans	-55.4	-47.7	179.1	162.9	170	165.6	169.4	0	112.7	E159 L162 G540 M545 K546	E159-K542 WeakPolarHBondContact OE1-CE 3.41Å; E159-K542 IonicContact OE1-NZ 2.89Å; E159-K542 PolarHBondContact OE1-NZ 2.7Å; E159-K542 WeakPolarHBondContact OE2-CE 3.32Å; E159-K542 IonicContact OE2-NZ 3.58Å; E159-K542 PolarHBondContact OE2-NZ 3.5Å; L162-K542 HydrophobicContact CD1-CB 4.19Å; L162-K542 HydrophobicContact CD1-CD 4.3Å; L162-K542 HydrophobicContact CD1-CG 3.8Å; G540-K542 VanDerWaalsContact C-N 3.35Å; G540-K542 PolarHBondContact O-N 2.92Å; K542-M545 PolarHBondContact O-N 3.15Å; K542-K546 PolarHBondContact O-N 3.2Å
543	E	90.1	Very high	89.1	Confident	118 Å²	118	67.4 Å²	67.4	55%	0.551	35%	0.348	S	S	*	.	H	α-helix	trans	-67.6	-40.1	-178.7	-52.2	-48.6	131.3	0	0	111.6	G540 L541 M545 K547	G540-E543 PolarHBondContact O-N 3.47Å; G540-E543 VanDerWaalsContact O-N 3.17Å; L541-E543 PolarHBondContact O-N 3.15Å; E543-M545 VanDerWaalsContact C-N 3.34Å; E543-K547 VanDerWaalsContact O-CB 3.31Å; E543-K547 WeakPolarHBondContact O-CB 3.36Å; E543-K547 PolarHBondContact O-N 3.32Å
544	V	91.9	Very high	88.7	Confident	27 Å²	27	62.5 Å²	62.5	16%	0.164	33%	0.325	C	S	.	.	H	α-helix	trans	-67.1	-35.9	174.9	176.8	0	0	0	0	111.2	C479 F495 G540 L541 N548	C479-V544 HydrophobicContact CB-CG1 4.16Å; F495-V544 HydrophobicContact CE2-CG1 4.38Å; F495-V544 HydrophobicContact CZ-CB 3.94Å; F495-V544 HydrophobicContact CZ-CG1 4.07Å; F495-V544 HydrophobicContact CZ-CG2 4.03Å; G540-V544 PolarHBondContact O-N 3.12Å; G540-V544 VanDerWaalsContact O-N 3.08Å; L541-V544 PolarHBondContact O-N 3.39Å; V544-N548 VanDerWaalsContact O-CB 3.31Å; V544-N548 WeakPolarHBondContact O-CB 3.49Å; V544-N548 PolarHBondContact O-N 2.83Å; V544-N548 PolarHBondContact O-OD1 3.36Å
545	M	90.2	Very high	88	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.015	30%	0.304	C	S	.	.	H	α-helix	trans	-69.8	-45.4	175.4	-70.8	167.6	82.5	0	0	112.3	M158 W161 L162 Y483 I492 L541 K542 E543 K547 N548 K549	M158-M545 HydrophobicContact CE-CB 4Å; M158-M545 WeakPolarHBondContact CE-O 3.41Å; W161-M545 HydrophobicContact CH2-CE 3.18Å; W161-M545 HydrophobicContact CZ2-CE 4.15Å; W161-M545 HydrophobicContact CZ3-CE 3.52Å; L162-M545 HydrophobicContact CD2-CE 3.51Å; L162-M545 HydrophobicContact CD2-SD 3.67Å; Y483-M545 HydrophobicContact CE1-CG 4.35Å; I492-M545 HydrophobicContact CD1-CE 3.64Å; I492-M545 HydrophobicContact CD1-SD 3.77Å; L541-M545 HydrophobicContact CD1-CG 3.91Å; L541-M545 HydrophobicContact CD1-SD 3.37Å; L541-M545 WeakPolarHBondContact CD1-SD 3.36Å; L541-M545 HydrophobicContact CD2-SD 4.13Å; L541-M545 HydrophobicContact CG-CG 4.39Å; L541-M545 HydrophobicContact CG-SD 3.46Å; L541-M545 WeakPolarHBondContact CG-SD 3.42Å; L541-M545 WeakPolarHBondContact O-CB 3.45Å; L541-M545 VanDerWaalsContact O-CG 3.24Å; L541-M545 WeakPolarHBondContact O-CG 2.99Å; L541-M545 PolarHBondContact O-N 3.04Å; K542-M545 PolarHBondContact O-N 3.15Å; E543-M545 VanDerWaalsContact C-N 3.34Å; M545-K547 VanDerWaalsContact C-N 3.31Å; M545-K547 PolarHBondContact O-N 3.41Å; M545-N548 PolarHBondContact O-N 3.07Å; M545-K549 PolarHBondContact O-N 3.13Å
546	K	89.1	Confident	87.2	Confident	38 Å²	38	58.5 Å²	58.5	17%	0.165	31%	0.305	C	S	.	.	H	α-helix	trans	-57.4	-44.8	173.3	-74.7	-164.8	177.6	-166.2	0	111.5	N155 M158 E159 K542 K549 R550	N155-K546 PolarHBondContact OD1-NZ 3.48Å; M158-K546 HydrophobicContact SD-CB 4.32Å; M158-K546 HydrophobicContact SD-CG 3.76Å; E159-K546 WeakPolarHBondContact OE1-CE 3.37Å; E159-K546 IonicContact OE1-NZ 3.36Å; E159-K546 PolarHBondContact OE1-NZ 3.34Å; K542-K546 PolarHBondContact O-N 3.2Å; K546-K549 PolarHBondContact O-N 3.19Å; K546-R550 PolarHBondContact O-N 3.4Å; K546-R550 VanDerWaalsContact O-N 3.12Å
547	K	90.5	Very high	86	Confident	95 Å²	95	63 Å²	63	41%	0.413	33%	0.332	S	S	.	.	H	α-helix	trans	-58.4	-51.3	173	-178.2	-173.1	167.3	-175	0	111.6	E543 M545 K549 R550 E551	E543-K547 VanDerWaalsContact O-CB 3.31Å; E543-K547 WeakPolarHBondContact O-CB 3.36Å; E543-K547 PolarHBondContact O-N 3.32Å; M545-K547 VanDerWaalsContact C-N 3.31Å; M545-K547 PolarHBondContact O-N 3.41Å; K547-K549 PolarHBondContact O-N 3.28Å; K547-R550 PolarHBondContact O-N 3.32Å; K547-E551 WeakPolarHBondContact CE-OE1 3.42Å; K547-E551 VanDerWaalsContact CE-OE2 3.31Å; K547-E551 WeakPolarHBondContact CE-OE2 3.48Å; K547-E551 HydrophobicContact CG-CG 4.29Å; K547-E551 IonicContact NZ-OE1 2.68Å; K547-E551 PolarHBondContact NZ-OE1 3.4Å; K547-E551 WeakPolarHBondContact O-CB 3.44Å; K547-E551 WeakPolarHBondContact O-CG 3.28Å; K547-E551 PolarHBondContact O-N 3.46Å
548	N	90.6	Very high	85	Confident	5 Å²	5	67.4 Å²	67.4	3%	0.027	33%	0.33	C	S	.	.	H	α-helix	trans	-59.4	-34.2	-179.9	-78.6	-4.4	0	0	0	112.7	G453 R455 C479 Y483 V544 M545 R552	G453-N548 PolarHBondContact O-ND2 3.42Å; R455-N548 HydrophobicContact CB-CB 4.46Å; R455-N548 PolarHBondContact NH1-O 2.92Å; C479-N548 VanDerWaalsContact CB-OD1 3.32Å; C479-N548 WeakPolarHBondContact CB-OD1 3.42Å; Y483-N548 PolarHBondContact OH-ND2 2.83Å; V544-N548 VanDerWaalsContact O-CB 3.31Å; V544-N548 WeakPolarHBondContact O-CB 3.49Å; V544-N548 PolarHBondContact O-N 2.83Å; V544-N548 PolarHBondContact O-OD1 3.36Å; M545-N548 PolarHBondContact O-N 3.07Å; N548-R552 WeakPolarHBondContact O-CB 3.29Å; N548-R552 PolarHBondContact O-N 3.45Å
549	K	87.8	Confident	83.3	Confident	52 Å²	52	69 Å²	69	23%	0.226	34%	0.336	C	S	.	.	H	α-helix	trans	-68.4	-63.4	176.7	-166.2	-137.3	163.7	-167.5	0	110.3	D154 M158 M545 K546 K547 E551 R552 D553	D154-K549 IonicContact OD1-NZ 2.81Å; D154-K549 PolarHBondContact OD1-NZ 2.97Å; D154-K549 IonicContact OD2-NZ 3.25Å; D154-K549 PolarHBondContact OD2-NZ 3.35Å; M158-K549 HydrophobicContact CE-CB 3.89Å; M158-K549 HydrophobicContact CE-CG 4.45Å; M158-K549 HydrophobicContact SD-CB 4.01Å; M158-K549 HydrophobicContact SD-CD 3.86Å; M158-K549 HydrophobicContact SD-CG 4.34Å; M545-K549 PolarHBondContact O-N 3.13Å; K546-K549 PolarHBondContact O-N 3.19Å; K547-K549 PolarHBondContact O-N 3.28Å; K549-E551 VanDerWaalsContact C-N 3.29Å; K549-E551 PolarHBondContact O-N 2.72Å; K549-R552 WeakPolarHBondContact O-CA 3.44Å; K549-R552 VanDerWaalsContact O-CB 3.24Å; K549-R552 WeakPolarHBondContact O-CB 3.42Å; K549-R552 PolarHBondContact O-N 2.99Å; K549-D553 WeakPolarHBondContact CD-OD2 3.2Å; K549-D553 WeakPolarHBondContact CE-OD2 3.06Å; K549-D553 WeakPolarHBondContact CG-OD2 3.34Å; K549-D553 IonicContact NZ-OD2 2.65Å; K549-D553 PolarHBondContact O-N 2.96Å
550	R	87.6	Confident	81.3	Confident	126 Å²	126	63 Å²	63	48%	0.475	33%	0.327	S	S	.	.	H	α-helix	trans	-53.9	-42.8	179.6	-174.8	-172	61.2	-105.8	-8.6	112.9	K546 K547 R552 D553 E554	K546-R550 PolarHBondContact O-N 3.4Å; K546-R550 VanDerWaalsContact O-N 3.12Å; K547-R550 PolarHBondContact O-N 3.32Å; R550-R552 PolarHBondContact O-N 3.2Å; R550-D553 PolarHBondContact N-OD2 2.71Å; R550-D553 PolarHBondContact O-N 2.87Å; R550-E554 IonicContact NE-OE1 2.73Å; R550-E554 VanDerWaalsContact O-CB 3.3Å; R550-E554 WeakPolarHBondContact O-CB 3.38Å; R550-E554 WeakPolarHBondContact O-CG 3.41Å; R550-E554 PolarHBondContact O-N 3.41Å
551	E	86.7	Confident	79.3	Confident	56 Å²	56	66 Å²	66	26%	0.262	33%	0.333	S	S	.	.	H	α-helix	trans	-62.2	-30.7	175.2	-75.7	-178.4	154.2	0	0	112.3	R455 K547 K549 D555	R455-E551 VanDerWaalsContact NH1-CB 3.26Å; R455-E551 PolarHBondContact NH2-O 2.93Å; K547-E551 WeakPolarHBondContact CE-OE1 3.42Å; K547-E551 VanDerWaalsContact CE-OE2 3.31Å; K547-E551 WeakPolarHBondContact CE-OE2 3.48Å; K547-E551 HydrophobicContact CG-CG 4.29Å; K547-E551 IonicContact NZ-OE1 2.68Å; K547-E551 PolarHBondContact NZ-OE1 3.4Å; K547-E551 WeakPolarHBondContact O-CB 3.44Å; K547-E551 WeakPolarHBondContact O-CG 3.28Å; K547-E551 PolarHBondContact O-N 3.46Å; K549-E551 VanDerWaalsContact C-N 3.29Å; K549-E551 PolarHBondContact O-N 2.72Å; E551-D555 WeakPolarHBondContact O-CB 3.47Å; E551-D555 PolarHBondContact O-N 3.28Å; E551-D555 VanDerWaalsContact O-N 3.1Å
552	R	86.2	Confident	77.4	Confident	35 Å²	35	70.9 Å²	70.9	13%	0.132	36%	0.355	C	S	.	.	H	α-helix	trans	-74.2	-44.5	177	-175	-166.3	-69.2	-168.8	3.8	109.3	D431 D433 H454 N548 K549 R550 E554 D555 S556	D431-R552 VanDerWaalsContact O-CD 3.25Å; D431-R552 WeakPolarHBondContact O-CD 3.36Å; D431-R552 PolarHBondContact O-NE 3.2Å; D433-R552 IonicContact OD1-CZ 3.96Å; D433-R552 IonicContact OD1-NH1 2.78Å; D433-R552 PolarHBondContact OD1-NH1 3.3Å; D433-R552 IonicContact OD1-NH2 2.8Å; D433-R552 PolarHBondContact OD1-NH2 3.13Å; D433-R552 IonicContact OD2-NH1 3.71Å; H454-R552 PolarHBondContact O-NH2 2.86Å; N548-R552 WeakPolarHBondContact O-CB 3.29Å; N548-R552 PolarHBondContact O-N 3.45Å; K549-R552 WeakPolarHBondContact O-CA 3.44Å; K549-R552 VanDerWaalsContact O-CB 3.24Å; K549-R552 WeakPolarHBondContact O-CB 3.42Å; K549-R552 PolarHBondContact O-N 2.99Å; R550-R552 PolarHBondContact O-N 3.2Å; R552-E554 PolarHBondContact O-N 2.79Å; R552-D555 PolarHBondContact O-N 2.84Å; R552-D555 VanDerWaalsContact O-N 3.14Å; R552-S556 WeakPolarHBondContact O-CB 3.29Å; R552-S556 PolarHBondContact O-N 3.46Å
553	D	83.8	Confident	75.6	Confident	62 Å²	62	71.7 Å²	71.7	33%	0.332	36%	0.357	S	S	.	.	H	α-helix	trans	-61.5	-47.1	178.7	-47.8	-36	0	0	0	109.5	K549 R550 D555 S556 V557	K549-D553 WeakPolarHBondContact CD-OD2 3.2Å; K549-D553 WeakPolarHBondContact CE-OD2 3.06Å; K549-D553 WeakPolarHBondContact CG-OD2 3.34Å; K549-D553 IonicContact NZ-OD2 2.65Å; K549-D553 PolarHBondContact O-N 2.96Å; R550-D553 PolarHBondContact N-OD2 2.71Å; R550-D553 PolarHBondContact O-N 2.87Å; D553-D555 PolarHBondContact O-N 3.19Å; D553-S556 PolarHBondContact O-N 2.83Å; D553-S556 PolarHBondContact O-OG 3.36Å; D553-V557 PolarHBondContact O-N 3.05Å
554	E	82.8	Confident	73.5	Confident	70 Å²	70	71.5 Å²	71.5	33%	0.327	36%	0.36	S	S	.	.	H	α-helix	trans	-53.3	-44.8	169.1	-85.3	-171.1	-116.4	0	0	114	R550 R552 R558	R550-E554 IonicContact NE-OE1 2.73Å; R550-E554 VanDerWaalsContact O-CB 3.3Å; R550-E554 WeakPolarHBondContact O-CB 3.38Å; R550-E554 WeakPolarHBondContact O-CG 3.41Å; R550-E554 PolarHBondContact O-N 3.41Å; R552-E554 PolarHBondContact O-N 2.79Å; E554-R558 WeakPolarHBondContact O-CD 3.12Å; E554-R558 VanDerWaalsContact O-CG 3.25Å; E554-R558 WeakPolarHBondContact O-CG 3.28Å; E554-R558 PolarHBondContact O-NE 2.96Å; E554-R558 IonicContact OE2-CZ 2.78Å; E554-R558 VanDerWaalsContact OE2-CZ 3.24Å; E554-R558 IonicContact OE2-NH1 3.16Å; E554-R558 PolarHBondContact OE2-NH1 3.2Å; E554-R558 IonicContact OE2-NH2 2.75Å; E554-R558 PolarHBondContact OE2-NH2 2.74Å
555	D	78.4	Confident	71.3	Confident	34 Å²	34	73.7 Å²	73.7	18%	0.182	37%	0.374	C	S	.	.	H	α-helix	trans	-71.1	-37.4	179	-87.5	-15.4	0	0	0	111	R455 N457 E551 R552 D553 V557 R558 H559	R455-D555 IonicContact CZ-OD2 3.75Å; R455-D555 IonicContact NH2-OD2 3.5Å; R455-D555 PolarHBondContact NH2-OD2 3.3Å; N457-D555 PolarHBondContact ND2-OD2 3.5Å; E551-D555 WeakPolarHBondContact O-CB 3.47Å; E551-D555 PolarHBondContact O-N 3.28Å; E551-D555 VanDerWaalsContact O-N 3.1Å; R552-D555 PolarHBondContact O-N 2.84Å; R552-D555 VanDerWaalsContact O-N 3.14Å; D553-D555 PolarHBondContact O-N 3.19Å; D555-V557 VanDerWaalsContact C-N 3.3Å; D555-V557 PolarHBondContact O-N 2.67Å; D555-R558 PolarHBondContact O-N 3.35Å; D555-H559 PolarHBondContact O-N 3.47Å; D555-H559 PolarHBondContact O-ND1 2.74Å; D555-H559 IonicContact OD1-CE1 3.64Å
556	S	73.9	Confident	69.2	Low	74 Å²	74	75.4 Å²	75.4	52%	0.517	38%	0.382	S	S	.	.	H	α-helix	trans	-60.4	-38.7	-178.6	77.6	0	0	0	0	112.5	R552 D553 R558	R552-S556 WeakPolarHBondContact O-CB 3.29Å; R552-S556 PolarHBondContact O-N 3.46Å; D553-S556 PolarHBondContact O-N 2.83Å; D553-S556 PolarHBondContact O-OG 3.36Å; S556-R558 PolarHBondContact O-N 3.25Å
557	V	65.8	Low	67.2	Low	129 Å²	129	77 Å²	77	78%	0.782	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-22.2	175.1	176.1	0	0	0	0	112.3	D553 D555	D553-V557 PolarHBondContact O-N 3.05Å; D555-V557 VanDerWaalsContact C-N 3.3Å; D555-V557 PolarHBondContact O-N 2.67Å
558	R	63.5	Low	65	Low	156 Å²	156	76.6 Å²	76.6	59%	0.589	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-18.1	-173.1	-67	168.3	-174.6	150.9	7.3	114.9	E554 D555 S556 G560	E554-R558 WeakPolarHBondContact O-CD 3.12Å; E554-R558 VanDerWaalsContact O-CG 3.25Å; E554-R558 WeakPolarHBondContact O-CG 3.28Å; E554-R558 PolarHBondContact O-NE 2.96Å; E554-R558 IonicContact OE2-CZ 2.78Å; E554-R558 VanDerWaalsContact OE2-CZ 3.24Å; E554-R558 IonicContact OE2-NH1 3.16Å; E554-R558 PolarHBondContact OE2-NH1 3.2Å; E554-R558 IonicContact OE2-NH2 2.75Å; E554-R558 PolarHBondContact OE2-NH2 2.74Å; D555-R558 PolarHBondContact O-N 3.35Å; S556-R558 PolarHBondContact O-N 3.25Å; R558-G560 PolarHBondContact O-N 3.27Å
559	H	54.5	Low	62.6	Low	64 Å²	64	83 Å²	83	30%	0.296	42%	0.417	S	S	.	.			trans	-97.8	90.8	-159.8	-83.3	88.6	0	0	0	117	D555 Q566	D555-H559 PolarHBondContact O-N 3.47Å; D555-H559 PolarHBondContact O-ND1 2.74Å; D555-H559 IonicContact OD1-CE1 3.64Å; H559-Q566 PolarHBondContact NE2-NE2 2.68Å
560	G	46.3	Very low	60.7	Low	62 Å²	62	84 Å²	84	64%	0.639	42%	0.422	S	S	*	.	S	Bend	trans	-92.2	107.8	150	0	0	0	0	0	112.2	R558	R558-G560 PolarHBondContact O-N 3.27Å
561	D	47.4	Very low	58.8	Low	107 Å²	107	80.4 Å²	80.4	57%	0.572	41%	0.412	S	S	*	.	S	Bend	trans	38.9	77	165.9	-74.5	-8.7	0	0	0	118.2	K410	K410-D561 WeakPolarHBondContact CD-OD1 3.42Å; K410-D561 IonicContact NZ-OD1 2.83Å; K410-D561 PolarHBondContact NZ-OD1 3.41Å; K410-D561 IonicContact NZ-OD2 3.24Å; K410-D561 PolarHBondContact NZ-OD2 3.2Å
562	Q	49.7	Very low	56.5	Low	107 Å²	107	83.2 Å²	83.2	50%	0.5	43%	0.426	S	S	.	.			trans	-139.3	64.8	171.9	-73.1	-156.3	43.5	0	0	115.8	T565 Q566	Q562-T565 PolarHBondContact OE1-OG1 2.9Å; Q562-T565 VanDerWaalsContact OE1-OG1 3.11Å; Q562-Q566 WeakPolarHBondContact O-CG 3.32Å
563	Y	50.4	Low	54.1	Low	85 Å²	85	87.7 Å²	87.7	33%	0.333	44%	0.443	S	S	.	.	H	α-helix	trans	-91	-33.5	177.6	-73.2	-69.5	0	0	0	115.6	N430	N430-Y563 WeakPolarHBondContact ND2-CE1 3.47Å; N430-Y563 PolarHBondContact ND2-OH 3.21Å
564	D	46.5	Very low	52.4	Low	114 Å²	114	86.9 Å²	86.9	61%	0.61	44%	0.437	S	S	*	.	H	α-helix	trans	-76.7	-27.5	-178.9	-91.4	-66.9	0	0	0	113.7
565	T	45.4	Very low	50.4	Low	74 Å²	74	90.2 Å²	90.2	45%	0.454	46%	0.455	S	S	.	.	H	α-helix	trans	-79.7	-38.5	-176.3	46	0	0	0	0	112.9	Q562 L568 W569	Q562-T565 PolarHBondContact OE1-OG1 2.9Å; Q562-T565 VanDerWaalsContact OE1-OG1 3.11Å; T565-L568 PolarHBondContact O-N 2.83Å; T565-W569 WeakPolarHBondContact O-CB 3.22Å; T565-W569 PolarHBondContact O-N 3.36Å
566	Q	46.4	Very low	48.7	Very low	39 Å²	39	98.1 Å²	98.1	18%	0.182	48%	0.482	C	S	.	.	H	α-helix	trans	-71.3	-44.4	-169.1	-68	-171.1	16.1	0	0	113.6	H559 Q562 L568 W569 F570	H559-Q566 PolarHBondContact NE2-NE2 2.68Å; Q562-Q566 WeakPolarHBondContact O-CG 3.32Å; Q566-L568 VanDerWaalsContact C-N 3.26Å; Q566-L568 PolarHBondContact O-N 2.98Å; Q566-W569 PolarHBondContact O-N 2.65Å; Q566-W569 VanDerWaalsContact O-N 3.08Å; Q566-F570 WeakPolarHBondContact O-CD2 3.21Å; Q566-F570 PolarHBondContact O-N 2.9Å
567	L	47.1	Very low	47	Very low	70 Å²	70	100.7 Å²	100.7	37%	0.366	49%	0.49	S	S	.	.	H	α-helix	trans	-59.2	-40.5	177.9	-177.2	63.7	0	0	0	111.4	T459 L571	T459-L567 HydrophobicContact CG2-CD1 4.24Å; L567-L571 PolarHBondContact O-N 3.22Å
568	L	44	Very low	45.9	Very low	87 Å²	87	99.9 Å²	99.9	46%	0.455	47%	0.473	S	S	.	.	H	α-helix	trans	-67.7	-39.7	175	-177.7	64	0	0	0	112.1	T565 Q566 L571 M572	T565-L568 PolarHBondContact O-N 2.83Å; Q566-L568 VanDerWaalsContact C-N 3.26Å; Q566-L568 PolarHBondContact O-N 2.98Å; L568-L571 PolarHBondContact O-N 3.43Å; L568-M572 HydrophobicContact CD2-CE 4.28Å; L568-M572 HydrophobicContact CG-CE 3.93Å; L568-M572 WeakPolarHBondContact O-CB 3.3Å; L568-M572 WeakPolarHBondContact O-CG 3.35Å; L568-M572 PolarHBondContact O-N 2.82Å
569	W	40.1	Very low	44.2	Very low	139 Å²	139	102.2 Å²	102.2	53%	0.527	48%	0.481	S	S	.	.	H	α-helix	trans	-67.3	-40.6	177.3	-172.3	88.5	0	0	0	112.4	T565 Q566 M572 R573	T565-W569 WeakPolarHBondContact O-CB 3.22Å; T565-W569 PolarHBondContact O-N 3.36Å; Q566-W569 PolarHBondContact O-N 2.65Å; Q566-W569 VanDerWaalsContact O-N 3.08Å; W569-M572 PolarHBondContact O-N 3.45Å; W569-R573 VanDerWaalsContact CH2-NH1 3.28Å; W569-R573 VanDerWaalsContact O-CB 3.29Å; W569-R573 WeakPolarHBondContact O-CB 3.36Å; W569-R573 PolarHBondContact O-N 2.74Å
570	F	48.4	Very low	43.1	Very low	75 Å²	75	104.2 Å²	104.2	33%	0.329	50%	0.5	S	S	.	.	H	α-helix	trans	-67.2	-40.6	174.1	-85.1	-75	0	0	0	112.1	A458 Q566 M572 R573 H574	A458-F570 HydrophobicContact CB-CD2 4.28Å; A458-F570 HydrophobicContact CB-CE2 4.03Å; Q566-F570 WeakPolarHBondContact O-CD2 3.21Å; Q566-F570 PolarHBondContact O-N 2.9Å; F570-M572 PolarHBondContact O-N 3.45Å; F570-R573 PolarHBondContact O-N 2.82Å; F570-H574 WeakPolarHBondContact O-CB 3.48Å; F570-H574 PolarHBondContact O-N 3.47Å
571	L	48	Very low	42.4	Very low	49 Å²	49	107.4 Å²	107.4	26%	0.257	51%	0.51	S	S	.	.	H	α-helix	trans	-56.5	-49.9	169.3	-112.6	77.9	0	0	0	111.1	L567 L568 R573 H574 M575	L567-L571 PolarHBondContact O-N 3.22Å; L568-L571 PolarHBondContact O-N 3.43Å; L571-R573 VanDerWaalsContact C-N 3.33Å; L571-R573 PolarHBondContact O-N 2.73Å; L571-H574 PolarHBondContact O-N 2.77Å; L571-M575 WeakPolarHBondContact O-CB 3.43Å; L571-M575 WeakPolarHBondContact O-CG 3.16Å; L571-M575 PolarHBondContact O-N 2.73Å
572	M	37.8	Very low	41.7	Very low	115 Å²	115	113.7 Å²	113.7	57%	0.567	53%	0.525	S	S	*	.	H	α-helix	trans	-63.4	-35.7	178.3	-78.4	-157.8	-90.9	0	0	113	L568 W569 F570 R576	L568-M572 HydrophobicContact CD2-CE 4.28Å; L568-M572 HydrophobicContact CG-CE 3.93Å; L568-M572 WeakPolarHBondContact O-CB 3.3Å; L568-M572 WeakPolarHBondContact O-CG 3.35Å; L568-M572 PolarHBondContact O-N 2.82Å; W569-M572 PolarHBondContact O-N 3.45Å; F570-M572 PolarHBondContact O-N 3.45Å; M572-R576 WeakPolarHBondContact O-CB 3.21Å; M572-R576 PolarHBondContact O-N 3.32Å
573	R	36.9	Very low	40.8	Very low	129 Å²	129	113.2 Å²	113.2	49%	0.487	54%	0.54	S	S	.	.	H	α-helix	trans	-68.1	-43.4	176.4	-174.6	173.7	177.3	-179.8	-2.1	111.7	W569 F570 L571 R576 N577	W569-R573 VanDerWaalsContact CH2-NH1 3.28Å; W569-R573 VanDerWaalsContact O-CB 3.29Å; W569-R573 WeakPolarHBondContact O-CB 3.36Å; W569-R573 PolarHBondContact O-N 2.74Å; F570-R573 PolarHBondContact O-N 2.82Å; L571-R573 VanDerWaalsContact C-N 3.33Å; L571-R573 PolarHBondContact O-N 2.73Å; R573-R576 PolarHBondContact O-N 2.88Å; R573-N577 PolarHBondContact O-N 2.89Å; R573-N577 VanDerWaalsContact O-N 3.15Å
574	H	47.8	Very low	39.8	Very low	45 Å²	45	120.5 Å²	120.5	21%	0.208	57%	0.567	C	S	.	*	H	α-helix	trans	-65.6	-44.5	176.2	-162	77.2	0	0	0	111.2	F570 L571 R576 N577 R578	F570-H574 WeakPolarHBondContact O-CB 3.48Å; F570-H574 PolarHBondContact O-N 3.47Å; L571-H574 PolarHBondContact O-N 2.77Å; H574-R576 VanDerWaalsContact C-N 3.34Å; H574-R576 PolarHBondContact O-N 2.91Å; H574-N577 PolarHBondContact O-N 2.83Å; H574-R578 PolarHBondContact CD2-NE 3.1Å; H574-R578 PolarHBondContact NE2-NE 3.31Å; H574-R578 VanDerWaalsContact NE2-NE 3.11Å; H574-R578 PolarHBondContact NE2-NH2 2.77Å; H574-R578 PolarHBondContact O-N 2.7Å
575	M	41.1	Very low	39	Very low	141 Å²	141	126.6 Å²	126.6	70%	0.695	58%	0.581	S	S	*	*	H	α-helix	trans	-59.7	-40	173.2	-72	-77.4	-88.8	0	0	112.7	L571 N577 R578	L571-M575 WeakPolarHBondContact O-CB 3.43Å; L571-M575 WeakPolarHBondContact O-CG 3.16Å; L571-M575 PolarHBondContact O-N 2.73Å; M575-N577 VanDerWaalsContact C-N 3.33Å; M575-N577 PolarHBondContact O-N 2.96Å; M575-R578 PolarHBondContact O-N 3.49Å
576	R	42.1	Very low	38.3	Very low	199 Å²	199	131.9 Å²	131.9	75%	0.751	60%	0.601	S	S	*	*	H	α-helix	trans	-67.3	-32.1	179	-171.7	167.7	-179.5	155.8	-3.1	112.7	M572 R573 H574	M572-R576 WeakPolarHBondContact O-CB 3.21Å; M572-R576 PolarHBondContact O-N 3.32Å; R573-R576 PolarHBondContact O-N 2.88Å; H574-R576 VanDerWaalsContact C-N 3.34Å; H574-R576 PolarHBondContact O-N 2.91Å
577	N	37.3	Very low	37.5	Very low	129 Å²	129	133.8 Å²	133.8	69%	0.69	63%	0.631	S	S	*	*	H	α-helix	trans	-79.4	-13.6	177.2	-74.8	3	0	0	0	114.1	R573 H574 M575	R573-N577 PolarHBondContact O-N 2.89Å; R573-N577 VanDerWaalsContact O-N 3.15Å; H574-N577 PolarHBondContact O-N 2.83Å; M575-N577 VanDerWaalsContact C-N 3.33Å; M575-N577 PolarHBondContact O-N 2.96Å
578	R	42.3	Very low	36.7	Very low	111 Å²	111	134.5 Å²	134.5	42%	0.419	65%	0.646	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.7	10.9	178.9	-72.1	-172.3	-178.8	-149.9	1.2	114.8	D522 H574 M575 P580	D522-R578 IonicContact OD1-NH2 2.98Å; H574-R578 PolarHBondContact CD2-NE 3.1Å; H574-R578 PolarHBondContact NE2-NE 3.31Å; H574-R578 VanDerWaalsContact NE2-NE 3.11Å; H574-R578 PolarHBondContact NE2-NH2 2.77Å; H574-R578 PolarHBondContact O-N 2.7Å; M575-R578 PolarHBondContact O-N 3.49Å; R578-P580 WeakPolarHBondContact O-CD 3.44Å
579	R	28.7	Very low	36.2	Very low	205 Å²	205	138 Å²	138	77%	0.774	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-67.9	120.9	172.4	-74.9	-173.7	173.1	-174.7	-1.2	109.8
580	P	32.4	Very low	35.7	Very low	107 Å²	107	136 Å²	136	70%	0.695	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-62.3	148.7	172.2	27.6	-34.2	0	0	0	109.7	R578 R582	R578-P580 WeakPolarHBondContact O-CD 3.44Å; P580-R582 PolarHBondContact O-N 2.61Å; P580-R582 VanDerWaalsContact O-N 3.08Å
581	P	30.2	Very low	35	Very low	128 Å²	128	140.2 Å²	140.2	83%	0.831	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-58.5	119.6	175	25.1	-33.2	0	0	0	108.5	A583	P581-A583 PolarHBondContact O-N 3.07Å
582	R	32.3	Very low	34.2	Very low	239 Å²	239	144.5 Å²	144.5	90%	0.902	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-56.1	117.1	176.8	-90.7	-178.7	164.9	163.9	-6.7	108.3	P580 R584	P580-R582 PolarHBondContact O-N 2.61Å; P580-R582 VanDerWaalsContact O-N 3.08Å; R582-R584 PolarHBondContact O-N 3.22Å; R582-R584 VanDerWaalsContact O-N 3.09Å
583	A	31.1	Very low	34.1	Very low	97 Å²	97	146.5 Å²	146.5	80%	0.802	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-53.2	119.6	176.1	0	0	0	0	0	108.8	P581 R585	P581-A583 PolarHBondContact O-N 3.07Å; A583-R585 VanDerWaalsContact C-N 3.29Å; A583-R585 PolarHBondContact O-N 3.3Å
584	R	30.4	Very low	33.8	Very low	239 Å²	239	147.6 Å²	147.6	90%	0.902	76%	0.757	S	S	*	*			trans	-74.3	84.7	-174.3	-163.2	-179	-165.7	175.6	3	108.6	R582 E586	R582-R584 PolarHBondContact O-N 3.22Å; R582-R584 VanDerWaalsContact O-N 3.09Å; R584-E586 PolarHBondContact O-N 3.41Å
585	R	30	Very low	33.1	Very low	242 Å²	242	150.4 Å²	150.4	91%	0.913	78%	0.782	S	S	*	*			trans	-76.9	111.2	173.8	-134.3	-179.8	-169.6	-176.8	2.6	108	A583	A583-R585 VanDerWaalsContact C-N 3.29Å; A583-R585 PolarHBondContact O-N 3.3Å
586	E	30.7	Very low	32.5	Very low	185 Å²	185	154.1 Å²	154.1	86%	0.864	79%	0.788	S	S	*	*			trans	-68.6	141.7	169.1	-63.4	175.4	145.1	0	0	109.2	R584	R584-E586 PolarHBondContact O-N 3.41Å
587	G	29	Very low	31.9	Very low	79 Å²	79	149.5 Å²	149.5	81%	0.814	79%	0.786	S	S	*	*			trans	166.5	118.8	-172.9	0	0	0	0	0	107.7
588	A	31	Very low	31.9	Very low	84 Å²	84	149.3 Å²	149.3	69%	0.694	80%	0.795	S	S	*	*			trans	-106.8	168.3	-160.1	0	0	0	0	0	113.6
589	D	31.6	Very low	31.9	Very low	160 Å²	160	149.7 Å²	149.7	86%	0.856	81%	0.812	S	S	*	*			trans	57.8	107	153.3	-48.2	-26.2	0	0	0	119.6
590	A	31.1	Very low	32.1	Very low	97 Å²	97	147 Å²	147	80%	0.802	81%	0.813	S	S	*	*				-172.2	140.5	109.9	0	0	0	0	0	110.9
591	D	33.7	Very low	32.1	Very low	165 Å²	165	146.6 Å²	146.6	88%	0.882	81%	0.812	S	S	*	*			trans	-79.5	142.4	175.5	-58.9	-71.3	0	0	0	112.5
592	T	31.5	Very low	32.2	Very low	138 Å²	138	145.1 Å²	145.1	85%	0.847	81%	0.805	S	S	*	*			trans	-141.2	115.4	157.9	53.9	0	0	0	0	110.2
593	D	34.4	Very low	32.4	Very low	158 Å²	158	141 Å²	141	85%	0.845	80%	0.801	S	S	*	*			trans	-85.4	-167.4	162.3	-154.1	-21.1	0	0	0	109.5
594	E	31.8	Very low	32.7	Very low	152 Å²	152	145 Å²	145	71%	0.71	80%	0.803	S	S	*	*			trans	86.3	114.1	-176.2	-65.5	-76.8	140.6	0	0	115.9	W596	E594-W596 PolarHBondContact OE2-NE1 2.96Å
595	S	32.9	Very low	33	Very low	104 Å²	104	142.6 Å²	142.6	73%	0.727	80%	0.802	S	S	*	*			trans	-107.9	124	173.2	143.6	0	0	0	0	109.8
596	W	27.3	Very low	33.1	Very low	219 Å²	219	139 Å²	139	83%	0.83	80%	0.801	S	S	*	*			trans	-136.4	146.9	170.4	-78.4	98.1	0	0	0	114.1	E594	E594-W596 PolarHBondContact OE2-NE1 2.96Å
597	S	30.6	Very low	33.1	Very low	102 Å²	102	133.4 Å²	133.4	71%	0.713	79%	0.793	S	S	*	*			trans	-92.8	161.1	-161.3	-46.3	0	0	0	0	114.9
598	S	37.3	Very low	33	Very low	124 Å²	124	133.3 Å²	133.3	87%	0.867	79%	0.791	S	S	*	*			trans	-87.4	134.1	169.1	-52.8	0	0	0	0	112.9
599	P	42.1	Very low	33.9	Very low	119 Å²	119	134.8 Å²	134.8	77%	0.773	79%	0.794	S	S	*	*			trans	-110.6	172.6	155.1	38.1	-29.6	0	0	0	111.4
600	D	32.4	Very low	33.8	Very low	149 Å²	149	133.9 Å²	133.9	80%	0.797	79%	0.789	S	S	*	*			cis	-172.5	179.4	-30.8	-168.9	14.1	0	0	0	107.3
601	S	32.7	Very low	33.8	Very low	98 Å²	98	138.2 Å²	138.2	69%	0.685	79%	0.793	S	S	*	*			trans	67.1	125.2	-177.6	64.3	0	0	0	0	115.4
602	S	33.2	Very low	33.5	Very low	97 Å²	97	135.3 Å²	135.3	68%	0.678	78%	0.781	S	S	*	*			cis	87.2	122.8	30.4	88.2	0	0	0	0	115
603	D	34.7	Very low	33.4	Very low	153 Å²	153	137 Å²	137	82%	0.818	78%	0.779	S	S	*	*				-172	162.2	103.6	-84.2	-2.6	0	0	0	109.5
604	E	37.9	Very low	33.1	Very low	181 Å²	181	135.1 Å²	135.1	85%	0.846	78%	0.777	S	S	*	*			trans	-122.2	170.9	-172.7	-60.8	-165.3	136.4	0	0	113.5
605	E	37.1	Very low	32.9	Very low	188 Å²	188	136.5 Å²	136.5	88%	0.879	79%	0.785	S	S	*	*			trans	50	123.2	163.6	-59.6	-161.8	140.8	0	0	121
606	D	33	Very low	32.9	Very low	168 Å²	168	137.1 Å²	137.1	90%	0.898	79%	0.79	S	S	*	*				178.2	161.8	99.7	-172.2	25.4	0	0	0	111.2
607	G	30.1	Very low	33.3	Very low	67 Å²	67	135.9 Å²	135.9	69%	0.691	82%	0.815	S	S	*	*			trans	86.8	112.6	145.6	0	0	0	0	0	119.6
608	G	26.8	Very low	33.4	Very low	76 Å²	76	137.6 Å²	137.6	78%	0.784	82%	0.82	S	S	*	*			trans	-132.3	-172.4	149.9	0	0	0	0	0	109.9
609	P	49.1	Very low	33.2	Very low	116 Å²	116	138.3 Å²	138.3	75%	0.753	82%	0.817	S	S	*	*			cis	-126	-153.7	-3.3	42.2	-25.7	0	0	0	112
610	D	30.2	Very low	32.7	Very low	141 Å²	141	139.4 Å²	139.4	75%	0.754	82%	0.82	S	S	*	*			trans	57	108.2	163.9	-64.7	-20.1	0	0	0	119.5
611	H	30.3	Very low	32.7	Very low	188 Å²	188	138.8 Å²	138.8	87%	0.87	82%	0.821	S	S	*	*				-159.5	147.9	106.9	-124	-89.1	0	0	0	117.2
612	V	28.9	Very low	32.7	Very low	104 Å²	104	141.4 Å²	141.4	63%	0.63	83%	0.83	S	S	*	*			trans	-71.8	145.2	-175.1	175	0	0	0	0	114.3
613	Q	28.6	Very low	32.7	Very low	172 Å²	172	144.3 Å²	144.3	80%	0.804	84%	0.84	S	S	*	*			trans	89.5	133.8	147.7	-94.1	173	-12.6	0	0	125.2
614	C	27.8	Very low	32.6	Very low	119 Å²	119	143.7 Å²	143.7	80%	0.804	84%	0.841	S	S	*	*			trans	97.1	149.7	133.8	-76.7	0	0	0	0	121.8
615	M	28.5	Very low	32.2	Very low	181 Å²	181	140.8 Å²	140.8	89%	0.892	84%	0.841	S	S	*	*			trans	-106.7	144.3	-169	-58.8	164.2	60	0	0	112.3
616	S	31.7	Very low	31.8	Very low	118 Å²	118	136.9 Å²	136.9	83%	0.825	84%	0.838	S	S	*	*			trans	-166	150.9	136.8	-5	0	0	0	0	108
617	S	36.1	Very low	31.6	Very low	193 Å²	193	134.1 Å²	134.1	100%	1.35	83%	0.832	S	S	*	*			cis	-127.9	0	4.4	-50.8	0	0	0	0	111.4

Retrieved 617 of 617 residues in 302.7 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).