A0A1D5Q5D1_MACMU Loading...

Kinase

AlphaFold DB , UniProt , Accession A0A1D5Q5D1, Species MACMU (Macaca mulatta, Rhesus macaque), Gene IP6K2, Length 549 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	41.3	Very low	38	Very low	242 Å²	242	180.1 Å²	180.1	100%	1.192	89%	0.891	S	S	*	*				0	134.8	0	-65.6	-179.5	-177.1	0	0	108.2
2	L	33.3	Very low	38.5	Very low	182 Å²	182	174.8 Å²	174.8	95%	0.953	88%	0.88	S	S	*	*			trans	177.5	131.7	152.6	-98.5	160.5	0	0	0	107
3	R	29.7	Very low	39.4	Very low	235 Å²	235	170.8 Å²	170.8	89%	0.887	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-101.1	147.1	-179.5	-70.7	-177.5	174.1	-157.5	-0.1	110.4
4	P	46.8	Very low	38.9	Very low	134 Å²	134	173.1 Å²	173.1	87%	0.87	88%	0.875	S	S	*	*	P	Polyproline II helix	trans	-72.9	145	162.7	-11.6	28.4	0	0	0	111.4
5	L	38.3	Very low	39.6	Very low	178 Å²	178	169.9 Å²	169.9	93%	0.932	87%	0.871	S	S	*	*	P	Polyproline II helix	trans	-93.2	145.7	175.4	-74.2	155.6	0	0	0	110.7
6	W	35.1	Very low	39.2	Very low	237 Å²	237	171.5 Å²	171.5	90%	0.898	87%	0.874	S	S	*	*			trans	-110.7	138.1	173.1	-168.2	-80.4	0	0	0	110
7	P	46.1	Very low	38.7	Very low	104 Å²	104	167.4 Å²	167.4	68%	0.675	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-75.8	141.4	-177.5	29.9	-34.5	0	0	0	112.9
8	R	37.8	Very low	38.6	Very low	237 Å²	237	164.1 Å²	164.1	89%	0.894	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-81.8	145.1	172.2	-67.3	-175.9	178.5	-166.6	-0.2	111
9	P	36.9	Very low	38.2	Very low	124 Å²	124	160.6 Å²	160.6	81%	0.805	87%	0.87	S	S	*	*	P	Polyproline II helix	trans	-75.2	147.8	169.9	32	-33.7	0	0	0	111.5
10	Q	36.8	Very low	37.9	Very low	196 Å²	196	156.9 Å²	156.9	92%	0.916	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-97.5	141.8	171.3	-67.5	-178.4	-4.7	0	0	110.5
11	S	35.8	Very low	37.6	Very low	112 Å²	112	157.1 Å²	157.1	78%	0.783	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-92.6	143.6	176.3	47	0	0	0	0	111.8
12	P	44.5	Very low	37.7	Very low	117 Å²	117	151.5 Å²	151.5	76%	0.76	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-77.8	155.4	175.7	33.2	-35	0	0	0	112.2
13	P	49.8	Very low	37.6	Very low	123 Å²	123	146 Å²	146	80%	0.799	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-85.9	150.7	179.7	34.2	-34.5	0	0	0	113.4
14	F	31.9	Very low	37.7	Very low	203 Å²	203	140.9 Å²	140.9	89%	0.89	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-76.8	148.8	165.4	-76.6	-100	0	0	0	111.2
15	P	50.2	Low	37	Very low	125 Å²	125	142.2 Å²	142.2	81%	0.812	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-89.6	127.3	160.1	33.2	-27.9	0	0	0	110.9
16	E	32.4	Very low	36.8	Very low	195 Å²	195	138.6 Å²	138.6	91%	0.911	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-93.1	150.8	174.1	-169	169.8	-164.8	0	0	110.8
17	A	31.9	Very low	36.6	Very low	102 Å²	102	133.6 Å²	133.6	84%	0.843	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-84.6	146.6	-173.2	0	0	0	0	0	113.2
18	A	35.5	Very low	36.2	Very low	107 Å²	107	132.9 Å²	132.9	88%	0.884	82%	0.819	S	S	*	*			trans	-120.9	148.7	168.7	0	0	0	0	0	110.4
19	A	32.3	Very low	37	Very low	99 Å²	99	126.8 Å²	126.8	82%	0.818	81%	0.81	S	S	*	*			trans	-114.8	160.6	-159.5	0	0	0	0	0	115.7
20	A	32.4	Very low	36.7	Very low	85 Å²	85	130.6 Å²	130.6	70%	0.702	81%	0.814	S	S	*	*			trans	68.1	119.1	151.7	0	0	0	0	0	121.1
21	N	31.8	Very low	36.4	Very low	162 Å²	162	131.6 Å²	131.6	87%	0.866	81%	0.81	S	S	*	*				-162.6	160.3	94.7	-99.7	-33.3	0	0	0	113.1
22	P	43.3	Very low	36.1	Very low	124 Å²	124	134.2 Å²	134.2	81%	0.805	81%	0.814	S	S	*	*			trans	-121.3	164.3	-162.6	42.2	-31.1	0	0	0	116.9
23	G	30.2	Very low	35.4	Very low	67 Å²	67	134.3 Å²	134.3	69%	0.691	82%	0.818	S	S	*	*			trans	-179.3	147.5	162.7	0	0	0	0	0	108.5
24	T	31.8	Very low	34.6	Very low	128 Å²	128	133.5 Å²	133.5	79%	0.785	82%	0.815	S	S	*	*			cis	-161.8	145.7	9.5	-70	0	0	0	0	109.7
25	L	31.7	Very low	35.5	Very low	161 Å²	161	129.5 Å²	129.5	84%	0.843	81%	0.81	S	S	*	*			trans	51.3	113.9	161.4	-71.5	165.4	0	0	0	121.6
26	A	33.6	Very low	34.7	Very low	103 Å²	103	134.3 Å²	134.3	85%	0.851	81%	0.811	S	S	*	*				-156.4	148.9	128.8	0	0	0	0	0	111.2
27	T	32.6	Very low	34.7	Very low	132 Å²	132	128.7 Å²	128.7	81%	0.81	80%	0.798	S	S	*	*			trans	-90.5	124	-166	42.6	0	0	0	0	115.7
28	A	36.6	Very low	34.6	Very low	89 Å²	89	131.1 Å²	131.1	74%	0.736	79%	0.792	S	S	*	*				23.8	167.8	123.7	0	0	0	0	0	122.3
29	P	54.3	Low	34.5	Very low	109 Å²	109	132.6 Å²	132.6	71%	0.708	79%	0.785	S	S	*	*				-141.2	169.1	-51.6	40.2	-25.4	0	0	0	113.6
30	F	30.4	Very low	34.4	Very low	203 Å²	203	135.1 Å²	135.1	89%	0.89	78%	0.783	S	S	*	*			trans	-155.3	136.8	145	-115.7	-78	0	0	0	116
31	R	31.6	Very low	34.2	Very low	217 Å²	217	133.9 Å²	133.9	82%	0.819	78%	0.779	S	S	*	*			trans	-33	130.3	-174	-61.6	175.5	176.8	-159.6	-3.7	122.8
32	L	30.1	Very low	34.2	Very low	167 Å²	167	137.7 Å²	137.7	87%	0.874	78%	0.781	S	S	*	*				13.7	132	119.4	-69	161.9	0	0	0	119.9
33	S	28.5	Very low	33.8	Very low	120 Å²	120	135.5 Å²	135.5	84%	0.839	77%	0.773	S	S	*	*				177.5	150.8	95.8	45.3	0	0	0	0	114.5
34	S	33.7	Very low	33.9	Very low	106 Å²	106	139.6 Å²	139.6	74%	0.741	78%	0.78	S	S	*	*			trans	-120.6	159.1	161.6	178.5	0	0	0	0	107.5
35	P	50.8	Low	34	Very low	119 Å²	119	137.6 Å²	137.6	77%	0.773	77%	0.771	S	S	*	*				-150.4	131.3	113	33.6	-15	0	0	0	117.3
36	R	32.9	Very low	34	Very low	225 Å²	225	139 Å²	139	85%	0.849	77%	0.773	S	S	*	*				53.7	140.6	112	-145.6	-169.8	-178.7	171.7	-0	122.3
37	A	32.4	Very low	33.9	Very low	77 Å²	77	137.1 Å²	137.1	64%	0.636	76%	0.764	S	S	*	*			trans	80.1	149.5	148.4	0	0	0	0	0	118.5
38	Q	31.2	Very low	33.8	Very low	153 Å²	153	140.3 Å²	140.3	72%	0.715	77%	0.769	S	S	*	*			cis	-172.7	158.1	-8.8	-114.2	174.6	-5.8	0	0	110.9
39	L	31.5	Very low	33.7	Very low	138 Å²	138	146.8 Å²	146.8	72%	0.723	77%	0.774	S	S	*	*			trans	62.6	153.4	144.6	-70.1	164.5	0	0	0	118.1
40	L	32	Very low	32.7	Very low	152 Å²	152	148.3 Å²	148.3	80%	0.796	77%	0.772	S	S	*	*			cis	-146.9	172.2	-0.3	-90.4	132.1	0	0	0	106.8
41	G	27	Very low	32.9	Very low	59 Å²	59	149.1 Å²	149.1	61%	0.608	77%	0.769	S	S	*	*			cis	-169.8	158.3	2.4	0	0	0	0	0	109.1
42	R	32.6	Very low	32.9	Very low	243 Å²	243	142.1 Å²	142.1	92%	0.917	77%	0.765	S	S	*	*				61.8	136.1	101	-81	-169.5	172.8	-163.7	-1.6	115.9
43	A	34	Very low	33	Very low	77 Å²	77	139.8 Å²	139.8	64%	0.636	77%	0.77	S	S	*	*			cis	-168.4	164.4	1.5	0	0	0	0	0	113.3
44	N	33	Very low	33	Very low	154 Å²	154	137.7 Å²	137.7	82%	0.824	77%	0.766	S	S	*	*			trans	55	161.7	143.4	-64.5	7.7	0	0	0	120.9
45	S	33.9	Very low	32.8	Very low	86 Å²	86	136.9 Å²	136.9	60%	0.601	78%	0.775	S	S	*	*			cis	-151.9	158.4	13.5	-22.9	0	0	0	0	113.4
46	E	31.7	Very low	31.8	Very low	189 Å²	189	134.8 Å²	134.8	88%	0.883	78%	0.775	S	S	*	*			trans	57.8	145	140.2	-65.6	154.7	-178	0	0	121.2
47	G	31.4	Very low	31.7	Very low	64 Å²	64	129.3 Å²	129.3	66%	0.66	78%	0.778	S	S	*	*			cis	131.5	119.6	-8.6	0	0	0	0	0	114
48	H	29.7	Very low	31.8	Very low	200 Å²	200	137.1 Å²	137.1	93%	0.926	79%	0.791	S	S	*	*			trans	-168.2	152.2	145	-116.4	-77	0	0	0	114.5
49	R	34.7	Very low	32.7	Very low	224 Å²	224	136.2 Å²	136.2	85%	0.845	80%	0.798	S	S	*	*			trans	-121.7	161	170.5	-88.5	177.6	165.1	171.9	-4.3	109.4
50	E	33.1	Very low	32.5	Very low	141 Å²	141	132.8 Å²	132.8	66%	0.659	80%	0.797	S	S	*	*				170.2	128.3	125.4	-77.1	-106.6	113.7	0	0	109.1
51	R	35.5	Very low	32.3	Very low	221 Å²	221	131.8 Å²	131.8	83%	0.834	80%	0.801	S	S	*	*				51.7	140.9	101.3	-55.9	-166.3	-129.1	-135.7	4.3	116.3
52	G	30.5	Very low	32.4	Very low	70 Å²	70	133.7 Å²	133.7	72%	0.722	81%	0.805	S	S	*	*			cis	170.8	178	-3	0	0	0	0	0	112.9
53	A	32.7	Very low	32.2	Very low	118 Å²	118	129.8 Å²	129.8	98%	0.975	80%	0.797	S	S	*	*			trans	67.1	154.8	176.7	0	0	0	0	0	118.1
54	G	29	Very low	31.9	Very low	75 Å²	75	135.4 Å²	135.4	77%	0.773	81%	0.807	S	S	*	*			cis	174.6	158.5	-7.4	0	0	0	0	0	113.1
55	G	29.8	Very low	31.6	Very low	90 Å²	90	131.7 Å²	131.7	93%	0.928	81%	0.805	S	S	*	*			trans	89.7	153.1	177.2	0	0	0	0	0	115.5
56	G	29.2	Very low	31.5	Very low	75 Å²	75	132.2 Å²	132.2	77%	0.773	82%	0.815	S	S	*	*			cis	165.4	150.6	-4.6	0	0	0	0	0	111.5
57	A	30.6	Very low	31.3	Very low	109 Å²	109	134.8 Å²	134.8	90%	0.901	82%	0.816	S	S	*	*			trans	76.1	108	170.2	0	0	0	0	0	121.6
58	R	34.6	Very low	31.4	Very low	241 Å²	241	139.7 Å²	139.7	91%	0.909	82%	0.822	S	S	*	*			trans	-89.7	179.7	132.7	-80.1	-173.4	175.8	-163.7	0.2	107.7
59	P	49.4	Very low	31.4	Very low	134 Å²	134	136.4 Å²	136.4	87%	0.87	82%	0.816	S	S	*	*			cis	-148.5	-169	20.9	43.7	-21.5	0	0	0	117.8
60	G	27.9	Very low	31.1	Very low	67 Å²	67	133.3 Å²	133.3	69%	0.691	82%	0.815	S	S	*	*			trans	138.2	107.8	167.6	0	0	0	0	0	111.5
61	C	27.7	Very low	30.8	Very low	131 Å²	131	129.8 Å²	129.8	89%	0.885	82%	0.816	S	S	*	*				53.7	132	61.5	-76.5	0	0	0	0	113.4
62	S	28.6	Very low	30.7	Very low	99 Å²	99	131.4 Å²	131.4	69%	0.692	82%	0.823	S	S	*	*			cis	-171.9	154.9	11	47.5	0	0	0	0	114.6
63	H	29.3	Very low	30.8	Very low	161 Å²	161	137.4 Å²	137.4	75%	0.745	83%	0.829	S	S	*	*			trans	68.6	132.1	137.3	-90.9	30.9	0	0	0	124.5
64	F	27.5	Very low	30.7	Very low	195 Å²	195	143.8 Å²	143.8	86%	0.855	83%	0.828	S	S	*	*			trans	61.7	143.3	137.1	-89.6	-109	0	0	0	122.5
65	G	27.2	Very low	30.9	Very low	75 Å²	75	152.2 Å²	152.2	77%	0.773	84%	0.836	S	S	*	*			trans	153.6	76	158.7	0	0	0	0	0	115.5
66	A	30.8	Very low	30.9	Very low	98 Å²	98	151.1 Å²	151.1	81%	0.81	83%	0.825	S	S	*	*			trans	-83	145.6	169.3	0	0	0	0	0	111.6
67	R	27.9	Very low	30.9	Very low	243 Å²	243	154.6 Å²	154.6	92%	0.917	83%	0.831	S	S	*	*			trans	-173.5	153.4	130	-111.1	174.7	171.9	-179.9	-2.7	115.3
68	E	32.8	Very low	31.1	Very low	166 Å²	166	160.4 Å²	160.4	78%	0.776	83%	0.83	S	S	*	*			trans	-70.4	157.9	171.3	-55.4	153.1	105.3	0	0	112.2
69	T	30	Very low	30.9	Very low	131 Å²	131	156.4 Å²	156.4	80%	0.804	83%	0.826	S	S	*	*				-166.4	112.2	128	13.7	0	0	0	0	112.6
70	I	29.3	Very low	30.1	Very low	160 Å²	160	159.2 Å²	159.2	82%	0.821	82%	0.819	S	S	*	*				39.8	102.8	118.3	-53.9	176.1	0	0	0	118.2
71	G	27.6	Very low	30.2	Very low	67 Å²	67	162.8 Å²	162.8	69%	0.691	82%	0.817	S	S	*	*				88.2	127.6	117.4	0	0	0	0	0	120.6
72	R	31.8	Very low	30.4	Very low	255 Å²	255	166 Å²	166	96%	0.962	82%	0.82	S	S	*	*				-174.8	142.6	105.6	-101.9	170.2	172.5	176.7	-1.9	113.9
73	K	32.4	Very low	30.6	Very low	196 Å²	196	169 Å²	169	85%	0.852	82%	0.823	S	S	*	*			trans	-64.9	147	164.3	-65.2	166.7	175.1	168.8	0	110.7
74	R	32.1	Very low	30.7	Very low	252 Å²	252	166.7 Å²	166.7	95%	0.951	82%	0.824	S	S	*	*			trans	-134.9	139.7	138.9	-81.1	-163.6	169.4	-171.7	-2.9	110.9
75	R	32.5	Very low	30.9	Very low	252 Å²	252	163.5 Å²	163.5	95%	0.951	82%	0.815	S	S	*	*			trans	-106.8	162.2	171	-77.2	178.9	169	177.5	-4.4	108.5
76	G	29	Very low	31.1	Very low	67 Å²	67	167.7 Å²	167.7	69%	0.691	82%	0.819	S	S	*	*			trans	104.8	146.1	164.8	0	0	0	0	0	113.4
77	T	30.1	Very low	31.1	Very low	148 Å²	148	166.3 Å²	166.3	91%	0.908	81%	0.807	S	S	*	*			cis	-159.1	162.9	1.6	-19.5	0	0	0	0	111
78	R	34.7	Very low	31.3	Very low	231 Å²	231	166 Å²	166	87%	0.872	81%	0.806	S	S	*	*			trans	-64.7	158.2	171	-67.9	174.8	170.2	178.9	-4.6	112.3
79	L	30.2	Very low	31.3	Very low	157 Å²	157	164.2 Å²	164.2	82%	0.822	81%	0.807	S	S	*	*			trans	168.5	151.1	139.9	-88.8	158.3	0	0	0	106.1
80	R	32.3	Very low	31.3	Very low	193 Å²	193	162.5 Å²	162.5	73%	0.728	80%	0.8	S	S	*	*			cis	-178.9	146.7	-23.5	-132	-172	-160.4	-118.7	9.3	104.4
81	Q	30.9	Very low	31.4	Very low	141 Å²	141	164.1 Å²	164.1	66%	0.659	80%	0.804	S	S	*	*			trans	33.8	130.4	149.1	-66.4	172	-65.3	0	0	121.7
82	Q	30.8	Very low	31.5	Very low	200 Å²	200	164.2 Å²	164.2	94%	0.935	81%	0.806	S	S	*	*				-150.1	155.8	114.7	-114.7	173.8	21.6	0	0	112.1
83	Q	32.8	Very low	31.4	Very low	161 Å²	161	156.5 Å²	156.5	75%	0.752	80%	0.796	S	S	*	*			trans	-120.1	151.8	-179.5	-68.7	172.8	-52.4	0	0	110.2
84	S	32	Very low	31.2	Very low	112 Å²	112	153.2 Å²	153.2	78%	0.783	79%	0.793	S	S	*	*			trans	-159.5	131.2	145.4	51.6	0	0	0	0	108.1
85	I	31.4	Very low	31	Very low	129 Å²	129	147.4 Å²	147.4	66%	0.662	79%	0.786	S	S	*	*			cis	70.7	115.2	33.7	-54.1	179.4	0	0	0	108.9
86	L	31.2	Very low	30.8	Very low	162 Å²	162	147.3 Å²	147.3	85%	0.848	79%	0.785	S	S	*	*			cis	-142.5	-164.6	17	-81.6	125.8	0	0	0	109.7
87	A	30.9	Very low	30.7	Very low	69 Å²	69	147.3 Å²	147.3	57%	0.57	79%	0.785	S	S	*	*				170.5	150.6	-56	0	0	0	0	0	110.1
88	R	33.3	Very low	30.6	Very low	237 Å²	237	146.6 Å²	146.6	89%	0.894	78%	0.781	S	S	*	*			trans	67.9	155.9	163.2	-60.2	177.6	178	-159.8	-1.7	115.6
89	T	31.4	Very low	30.3	Very low	128 Å²	128	143.3 Å²	143.3	79%	0.785	78%	0.775	S	S	*	*			cis	-157.5	178.7	-0.6	-0.5	0	0	0	0	107.9
90	S	30.6	Very low	30.2	Very low	95 Å²	95	145.3 Å²	145.3	66%	0.664	77%	0.772	S	S	*	*			cis	-163.3	166.9	2.8	36.9	0	0	0	0	112.3
91	Q	31.9	Very low	30	Very low	194 Å²	194	142.4 Å²	142.4	91%	0.907	77%	0.766	S	S	*	*			trans	0.8	153.5	139.6	-56.1	166.9	-7.9	0	0	119.7
92	G	28.6	Very low	29.8	Very low	70 Å²	70	142.7 Å²	142.7	72%	0.722	77%	0.767	S	S	*	*			cis	158.8	-170.5	3.9	0	0	0	0	0	112.6
93	A	29.9	Very low	29.7	Very low	93 Å²	93	138.4 Å²	138.4	77%	0.769	76%	0.755	S	S	*	*			trans	67	116	171.8	0	0	0	0	0	117.7
94	T	28	Very low	29.6	Very low	127 Å²	127	139.1 Å²	139.1	78%	0.779	76%	0.758	S	S	*	*				77.1	114.8	55.7	64	0	0	0	0	116.9
95	T	28.5	Very low	29.4	Very low	130 Å²	130	140.5 Å²	140.5	80%	0.798	76%	0.757	S	S	*	*			trans	165.1	120.5	132.3	36	0	0	0	0	109.4
96	R	27.8	Very low	29.3	Very low	250 Å²	250	140.1 Å²	140.1	94%	0.943	76%	0.76	S	S	*	*				84.2	124.2	77.4	-94.7	-167.7	179.8	-175.1	1.7	115.7
97	G	26.6	Very low	29.2	Very low	67 Å²	67	139.9 Å²	139.9	69%	0.691	76%	0.759	S	S	*	*			trans	88.1	154.1	158.7	0	0	0	0	0	116.6
98	T	28.2	Very low	29	Very low	132 Å²	132	140.9 Å²	140.9	81%	0.81	77%	0.767	S	S	*	*			cis	-169.2	137.4	-15.3	-3.7	0	0	0	0	110.5
99	H	28.2	Very low	28.8	Very low	162 Å²	162	134.9 Å²	134.9	75%	0.75	77%	0.769	S	S	*	*			trans	61.5	147.2	145.2	-113.8	-77.3	0	0	0	124.1
100	R	28	Very low	28.7	Very low	200 Å²	200	132 Å²	132	76%	0.755	76%	0.764	S	S	*	*			trans	80.6	122.8	158.8	-69.7	-153.7	151.2	132.6	-3.6	117.7
101	Q	28.5	Very low	28.6	Very low	131 Å²	131	135 Å²	135	61%	0.612	77%	0.772	S	S	*	*				69.8	135.4	67.2	-76.5	-177.5	-64.7	0	0	111.4
102	Q	27.9	Very low	28.4	Very low	147 Å²	147	135.5 Å²	135.5	69%	0.687	77%	0.765	S	S	*	*			cis	-168.2	-161	-6.1	-139.8	166.3	-30.7	0	0	107.5
103	T	28.3	Very low	28.2	Very low	111 Å²	111	138.5 Å²	138.5	68%	0.681	77%	0.774	S	S	*	*			trans	67.1	113	159.9	48.2	0	0	0	0	117.4
104	E	29.9	Very low	28.1	Very low	175 Å²	175	139.8 Å²	139.8	82%	0.818	77%	0.767	S	S	*	*				81.5	143.8	79.8	-82.2	179	-148.5	0	0	112.7
105	D	27.6	Very low	28	Very low	142 Å²	142	143.5 Å²	143.5	76%	0.759	77%	0.768	S	S	*	*			cis	-166.6	-150	-16.8	-154.7	-29.7	0	0	0	106.3
106	V	29.6	Very low	27.9	Very low	120 Å²	120	145.5 Å²	145.5	73%	0.727	77%	0.773	S	S	*	*			trans	78.9	127.3	156.5	-176.7	0	0	0	0	115.5
107	L	28.8	Very low	28.1	Very low	158 Å²	158	138.6 Å²	138.6	83%	0.827	76%	0.761	S	S	*	*			cis	-143.1	142.1	-4.9	-87.2	145	0	0	0	106.2
108	A	27.4	Very low	28.2	Very low	89 Å²	89	139.2 Å²	139.2	74%	0.736	76%	0.759	S	S	*	*				82.4	96.2	50.9	0	0	0	0	0	116.3
109	A	29.8	Very low	28.2	Very low	112 Å²	112	140.8 Å²	140.8	93%	0.926	76%	0.761	S	S	*	*			trans	-172.7	135.4	145.5	0	0	0	0	0	109.3
110	G	27.7	Very low	28	Very low	66 Å²	66	138.6 Å²	138.6	68%	0.68	76%	0.762	S	S	*	*			cis	163.4	98.9	-12.3	0	0	0	0	0	114.1
111	L	29	Very low	28.3	Very low	158 Å²	158	133.6 Å²	133.6	83%	0.827	76%	0.764	S	S	*	*			trans	65	143.9	151.6	-87.1	81.5	0	0	0	118.1
112	R	27.9	Very low	28.2	Very low	205 Å²	205	138.7 Å²	138.7	77%	0.774	78%	0.778	S	S	*	*			cis	-147.9	154.3	15.4	-60.2	-178.4	177.5	-148.9	-6.1	112.1
113	C	24.9	Very low	28.2	Very low	134 Å²	134	143.1 Å²	143.1	91%	0.905	79%	0.788	S	S	*	*			trans	-146.5	154.8	133.7	-159	0	0	0	0	109.3
114	L	27.6	Very low	28	Very low	120 Å²	120	146.4 Å²	146.4	63%	0.628	80%	0.798	S	S	*	*			trans	-115.2	134	-160.7	-73.1	168	0	0	0	113.5
115	Y	26.6	Very low	27.9	Very low	204 Å²	204	143.2 Å²	143.2	80%	0.8	80%	0.795	S	S	*	*			trans	50.8	125.7	145.2	-74.7	-105.2	0	0	0	121.8
116	L	26.2	Very low	28.8	Very low	172 Å²	172	142.2 Å²	142.2	90%	0.901	80%	0.796	S	S	*	*				-159	139.7	117.6	-101.5	168.6	0	0	0	111.1
117	P	31.8	Very low	28.9	Very low	106 Å²	106	140.8 Å²	140.8	69%	0.688	80%	0.797	S	S	*	*			trans	-104.7	-174.6	173.7	40.5	-32.6	0	0	0	111.5
118	A	28	Very low	28.9	Very low	79 Å²	79	143.7 Å²	143.7	65%	0.653	80%	0.803	S	S	*	*			cis	-174.4	176.6	-38.7	0	0	0	0	0	108.2
119	I	28.3	Very low	29.1	Very low	166 Å²	166	150.2 Å²	150.2	85%	0.851	81%	0.809	S	S	*	*			trans	75	122.1	162.7	-51	159.5	0	0	0	114.6
120	C	24.6	Very low	29.2	Very low	115 Å²	115	148.8 Å²	148.8	78%	0.777	80%	0.797	S	S	*	*				-163.5	148.1	63.2	-161.6	0	0	0	0	113.6
121	A	32.9	Very low	29.3	Very low	95 Å²	95	153.2 Å²	153.2	79%	0.785	80%	0.802	S	S	*	*			trans	-128.6	137.4	174.4	0	0	0	0	0	111.9
122	R	27.8	Very low	29.5	Very low	239 Å²	239	153 Å²	153	90%	0.902	80%	0.801	S	S	*	*			trans	-144.3	110.8	164.7	-81.4	-169.5	169.4	-170.2	-3	111.8
123	R	27.9	Very low	29.9	Very low	240 Å²	240	148.3 Å²	148.3	91%	0.906	80%	0.795	S	S	*	*				19.1	138.8	127.8	-82.2	-175.7	176.8	-173.9	-0.5	117.3
124	M	22.8	Very low	30.5	Very low	179 Å²	179	149.4 Å²	149.4	88%	0.882	79%	0.787	S	S	*	*			cis	-151.4	165.7	29.4	-62.2	179.7	58.7	0	0	113.7
125	S	28	Very low	31	Very low	109 Å²	109	149.8 Å²	149.8	76%	0.762	80%	0.797	S	S	*	*			trans	-83.5	-165.8	174.1	-12	0	0	0	0	112.9
126	P	47.4	Very low	31.7	Very low	120 Å²	120	149.5 Å²	149.5	78%	0.779	79%	0.794	S	S	*	*			cis	-130.9	152.4	-42.9	34.9	-19.9	0	0	0	112.7
127	A	30.7	Very low	33.1	Very low	90 Å²	90	146 Å²	146	74%	0.744	79%	0.791	S	S	*	*			trans	167.7	105.8	144.7	0	0	0	0	0	112
128	F	30	Very low	35	Very low	219 Å²	219	147.1 Å²	147.1	96%	0.961	78%	0.784	S	S	*	*			trans	-140.9	133.3	137.1	-105.6	-81.1	0	0	0	107.6	A130	F128-A130 PolarHBondContact O-N 3.13Å
129	R	31.3	Very low	37.6	Very low	227 Å²	227	144.2 Å²	144.2	86%	0.857	76%	0.762	S	S	*	*			trans	-59.1	128.6	-172.3	-76.3	174.7	164.7	161.4	-6.8	110.1	M131	R129-M131 PolarHBondContact O-N 2.85Å
130	A	31.5	Very low	40.5	Very low	82 Å²	82	138.9 Å²	138.9	68%	0.678	74%	0.738	S	S	*	*			trans	-55.5	110.9	148.2	0	0	0	0	0	106.8	F128 D132	F128-A130 PolarHBondContact O-N 3.13Å; A130-D132 VanDerWaalsContact C-N 3.34Å; A130-D132 PolarHBondContact O-N 3.42Å
131	M	30.3	Very low	43.6	Very low	159 Å²	159	138.2 Å²	138.2	78%	0.783	73%	0.726	S	S	*	*			trans	-71.3	102.6	155.6	-78.7	-74.2	-175.8	0	0	104.9	R129 V133	R129-M131 PolarHBondContact O-N 2.85Å; M131-V133 VanDerWaalsContact C-N 3.28Å; M131-V133 PolarHBondContact O-N 3.26Å
132	D	33.3	Very low	46.2	Very low	152 Å²	152	134.3 Å²	134.3	81%	0.813	69%	0.692	S	S	*	*			trans	-58.3	97	167.7	-80.4	-49.9	0	0	0	108	A130 E134	A130-D132 VanDerWaalsContact C-N 3.34Å; A130-D132 PolarHBondContact O-N 3.42Å; D132-E134 VanDerWaalsContact C-N 3.3Å; D132-E134 PolarHBondContact O-N 3.25Å
133	V	37.2	Very low	48.9	Very low	107 Å²	107	127 Å²	127	65%	0.648	67%	0.668	S	S	*	*			trans	-75	93.2	170.7	179.9	0	0	0	0	106	M131	M131-V133 VanDerWaalsContact C-N 3.28Å; M131-V133 PolarHBondContact O-N 3.26Å
134	E	35.9	Very low	51.5	Low	157 Å²	157	117 Å²	117	73%	0.734	63%	0.633	S	S	*	*			trans	-48.5	138.1	169.2	-79	-156.1	152.8	0	0	109.9	D132 R136	D132-E134 VanDerWaalsContact C-N 3.3Å; D132-E134 PolarHBondContact O-N 3.25Å; E134-R136 PolarHBondContact O-N 3.08Å
135	P	37.7	Very low	54.4	Low	129 Å²	129	109.4 Å²	109.4	84%	0.838	60%	0.596	S	S	*	*			trans	-74.3	73.1	-178.9	32.3	-36	0	0	0	110.1	A137	P135-A137 PolarHBondContact O-N 2.65Å
136	R	41.5	Very low	56.9	Low	197 Å²	197	106.3 Å²	106.3	74%	0.743	57%	0.572	S	S	*	*			trans	-52.8	133.3	157.1	-72.1	-162.5	-170.9	174.9	-0.9	106.9	E134 K138	E134-R136 PolarHBondContact O-N 3.08Å; R136-K138 HydrophobicContact CB-CB 4.31Å; R136-K138 HydrophobicContact CB-CD 3.9Å; R136-K138 HydrophobicContact CB-CG 3.63Å; R136-K138 PolarHBondContact O-N 2.75Å
137	A	56.8	Low	58.3	Low	99 Å²	99	102.9 Å²	102.9	82%	0.818	55%	0.545	S	S	*	.			trans	-67.8	62.1	162.6	0	0	0	0	0	109.6	P135 G139	P135-A137 PolarHBondContact O-N 2.65Å; A137-G139 PolarHBondContact O-N 2.75Å
138	K	70.3	Confident	60.7	Low	129 Å²	129	99.4 Å²	99.4	56%	0.561	51%	0.514	S	S	*	.			trans	-66.2	110.9	-164.9	-105.7	154.5	-176	174.8	0	109.6	R136	R136-K138 HydrophobicContact CB-CB 4.31Å; R136-K138 HydrophobicContact CB-CD 3.9Å; R136-K138 HydrophobicContact CB-CG 3.63Å; R136-K138 PolarHBondContact O-N 2.75Å
139	G	83.1	Confident	62.8	Low	18 Å²	18	89.3 Å²	89.3	19%	0.186	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-67.6	160.9	159	0	0	0	0	0	110.7	A137 A209	A137-G139 PolarHBondContact O-N 2.75Å; G139-A209 CarbonylContact C-O 3.36Å; G139-A209 WeakPolarHBondContact CA-O 3.41Å
140	V	89.8	Confident	64.9	Low	55 Å²	55	78.7 Å²	78.7	33%	0.333	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121.1	-179.5	179.7	0	0	0	0	109	L142 F158 I208 A209	V140-L142 PolarHBondContact O-N 2.72Å; V140-F158 HydrophobicContact CB-CD2 4.35Å; V140-F158 HydrophobicContact CB-CE2 3.92Å; V140-F158 HydrophobicContact CB-CZ 4.36Å; V140-F158 HydrophobicContact CG1-CD2 4.28Å; V140-F158 HydrophobicContact CG1-CE2 4.25Å; V140-F158 WeakPolarHBondContact CG1-O 3.35Å; V140-F158 HydrophobicContact CG2-CE2 3.95Å; V140-F158 HydrophobicContact CG2-CZ 3.9Å; V140-I208 WeakPolarHBondContact O-CA 3.17Å; V140-A209 HydrophobicContact CB-CB 4.47Å; V140-A209 PolarHBondContact N-O 3.05Å; V140-A209 PolarHBondContact O-N 3.18Å
141	L	88.8	Confident	66.8	Low	101 Å²	101	75.6 Å²	75.6	53%	0.529	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	125.8	172.1	178.9	63.4	0	0	0	109.6	C206 I208	L141-C206 HydrophobicContact CD1-CB 3.61Å; L141-I208 HydrophobicContact CD1-CG1 4.42Å
142	L	88.6	Confident	68.5	Low	13 Å²	13	74.4 Å²	74.4	7%	0.068	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-92.7	133.9	-179.4	-62.1	-175.6	0	0	0	111.5	V140 L156 F158 V195 L207 A209	V140-L142 PolarHBondContact O-N 2.72Å; L142-L156 HydrophobicContact CB-CB 4.21Å; L142-L156 HydrophobicContact CB-CD1 4.09Å; L142-L156 HydrophobicContact CD1-CB 4.41Å; L142-L156 HydrophobicContact CD1-CD1 3.67Å; L142-F158 HydrophobicContact CD2-CB 4.16Å; L142-F158 HydrophobicContact CD2-CD2 3.89Å; L142-F158 HydrophobicContact CD2-CG 4.48Å; L142-V195 HydrophobicContact CD1-CG1 3.82Å; L142-V195 HydrophobicContact CD1-CG2 3.82Å; L142-L207 HydrophobicContact CB-CB 3.99Å; L142-L207 WeakPolarHBondContact CB-O 3.44Å; L142-L207 HydrophobicContact CD1-CB 4.22Å; L142-L207 HydrophobicContact CG-CB 4.45Å; L142-L207 PolarHBondContact N-O 3.16Å; L142-A209 HydrophobicContact CD1-CB 4.13Å; L142-A209 HydrophobicContact CD2-CB 3.83Å; L142-A209 HydrophobicContact CG-CB 4.03Å
143	E	83.9	Confident	70.3	Confident	85 Å²	85	69.8 Å²	69.8	40%	0.397	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	157.6	179.6	-65.5	-180	145.3	0	0	112.4	L156 R157	E143-L156 CarbonylContact O-C 3.59Å; E143-L156 WeakPolarHBondContact O-CA 3.34Å; E143-L156 WeakPolarHBondContact O-CD2 3.49Å; E143-R157 HydrophobicContact CB-CB 4.3Å; E143-R157 PolarHBondContact N-O 3.44Å; E143-R157 PolarHBondContact O-N 2.77Å; E143-R157 IonicContact OE1-NH2 3.81Å; E143-R157 IonicContact OE2-CZ 2.75Å; E143-R157 IonicContact OE2-NE 2.79Å; E143-R157 PolarHBondContact OE2-NE 3.02Å; E143-R157 IonicContact OE2-NH2 3.5Å; E143-R157 PolarHBondContact OE2-NH2 3.07Å
144	P	82.8	Confident	72.1	Confident	29 Å²	29	64.9 Å²	64.9	19%	0.188	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	134.4	172.6	-9.3	19.8	0	0	0	112	V146 M304	P144-V146 PolarHBondContact O-N 2.84Å; P144-M304 HydrophobicContact CB-SD 4.43Å
145	F	84.4	Confident	74.6	Confident	21 Å²	21	58.7 Å²	58.7	9%	0.092	32%	0.323	C	S	.	.			trans	-78.4	117.4	173	-177.8	-124	0	0	0	112	H147 Q148 V155 L163 S303 T333	F145-H147 HydrophobicContact CE1-CB 4.12Å; F145-H147 HydrophobicContact CE2-CB 4.24Å; F145-H147 HydrophobicContact CZ-CB 3.74Å; F145-Q148 HydrophobicContact CD1-CB 3.96Å; F145-V155 HydrophobicContact CB-CB 4.01Å; F145-V155 HydrophobicContact CB-CG1 3.92Å; F145-V155 WeakPolarHBondContact CB-O 3.5Å; F145-V155 HydrophobicContact CD1-CB 4.12Å; F145-V155 HydrophobicContact CD1-CG1 3.9Å; F145-V155 HydrophobicContact CG-CB 4.45Å; F145-V155 HydrophobicContact CG-CG1 4.09Å; F145-V155 PolarHBondContact N-O 3.44Å; F145-V155 VanDerWaalsContact N-O 3.07Å; F145-L163 HydrophobicContact CB-CD2 4.46Å; F145-L163 HydrophobicContact CD1-CD1 4.05Å; F145-L163 HydrophobicContact CD2-CD1 4.11Å; F145-L163 HydrophobicContact CD2-CD2 3.45Å; F145-L163 VanDerWaalsContact CD2-CD2 3.45Å; F145-L163 HydrophobicContact CD2-CG 4.45Å; F145-L163 HydrophobicContact CE1-CD1 3.85Å; F145-L163 HydrophobicContact CE2-CD1 3.9Å; F145-L163 HydrophobicContact CE2-CD2 3.75Å; F145-L163 HydrophobicContact CE2-CG 4.48Å; F145-L163 HydrophobicContact CG-CD1 4.19Å; F145-L163 HydrophobicContact CG-CD2 3.94Å; F145-L163 HydrophobicContact CZ-CD1 3.76Å; F145-L163 HydrophobicContact CZ-CD2 4.46Å; F145-S303 PolarHBondContact O-OG 2.94Å; F145-T333 WeakPolarHBondContact CE2-OG1 3.32Å; F145-T333 HydrophobicContact CZ-CG2 3.87Å; F145-T333 WeakPolarHBondContact CZ-OG1 3.31Å
146	V	79	Confident	77	Confident	44 Å²	44	52.7 Å²	52.7	27%	0.267	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-29.1	-167	-56	0	0	0	0	114.6	P144 Q148 Y299	P144-V146 PolarHBondContact O-N 2.84Å; V146-Q148 VanDerWaalsContact C-N 3.33Å; V146-Q148 PolarHBondContact O-N 3.1Å; V146-Y299 HydrophobicContact CB-CD1 4.13Å; V146-Y299 HydrophobicContact CG1-CD1 3.6Å; V146-Y299 HydrophobicContact CG1-CE1 3.51Å
147	H	77.9	Confident	79.4	Confident	47 Å²	47	47.5 Å²	47.5	22%	0.218	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	16.9	-177.9	-49.2	128.9	0	0	0	113.6	F145 V149 T333	F145-H147 HydrophobicContact CE1-CB 4.12Å; F145-H147 HydrophobicContact CE2-CB 4.24Å; F145-H147 HydrophobicContact CZ-CB 3.74Å; H147-V149 PolarHBondContact O-N 3.02Å; H147-V149 VanDerWaalsContact O-N 3.12Å; H147-T333 HydrophobicContact CB-CG2 4.04Å; H147-T333 PolarHBondContact ND1-OG1 3.49Å; H147-T333 VanDerWaalsContact ND1-OG1 3.16Å
148	Q	79.8	Confident	81.1	Confident	17 Å²	17	44.9 Å²	44.9	8%	0.079	23%	0.234	C	C	.	.			trans	-71.2	105.3	175.2	-175.8	169.9	-11	0	0	110.4	F145 V146 G150 S153 V155 N300	F145-Q148 HydrophobicContact CD1-CB 3.96Å; V146-Q148 VanDerWaalsContact C-N 3.33Å; V146-Q148 PolarHBondContact O-N 3.1Å; Q148-G150 WeakPolarHBondContact CG-O 3.4Å; Q148-G150 PolarHBondContact NE2-O 3.42Å; Q148-S153 PolarHBondContact NE2-O 2.94Å; Q148-V155 VanDerWaalsContact OE1-N 3.13Å; Q148-N300 PolarHBondContact O-ND2 3.16Å
149	V	75.6	Confident	82.1	Confident	7 Å²	7	41.9 Å²	41.9	4%	0.042	22%	0.224	C	C	.	.			trans	-87.3	-21.9	178.9	-60.8	0	0	0	0	114.3	H147 V341 D343 G381 Q383	H147-V149 PolarHBondContact O-N 3.02Å; H147-V149 VanDerWaalsContact O-N 3.12Å; V149-V341 HydrophobicContact CG1-CB 3.9Å; V149-V341 HydrophobicContact CG1-CG1 4.08Å; V149-V341 HydrophobicContact CG2-CB 4.38Å; V149-V341 HydrophobicContact CG2-CG1 3.73Å; V149-D343 HydrophobicContact CG2-CB 3.71Å; V149-G381 WeakPolarHBondContact O-CA 3.47Å; V149-Q383 HydrophobicContact CG1-CB 3.48Å; V149-Q383 VanDerWaalsContact CG1-CB 3.48Å
150	G	75.1	Confident	82.4	Confident	5 Å²	5	47.8 Å²	47.8	5%	0.052	25%	0.247	C	C	.	.	S	Bend	trans	-144.3	-156.8	-171.6	0	0	0	0	0	114.6	Q148 D343	Q148-G150 WeakPolarHBondContact CG-O 3.4Å; Q148-G150 PolarHBondContact NE2-O 3.42Å; G150-D343 WeakPolarHBondContact CA-OD2 3.32Å
151	G	70.7	Confident	82.5	Confident	16 Å²	16	48.6 Å²	48.6	17%	0.165	25%	0.252	C	S	.	.			trans	74.4	-168.5	-178.7	0	0	0	0	0	116.2	K397	G151-K397 PolarHBondContact O-NZ 3.02Å
152	H	66.9	Low	82.8	Confident	135 Å²	135	44 Å²	44	63%	0.625	23%	0.228	S	C	*	.	S	Bend	trans	-134.7	-30.2	176.9	-81.7	-97.8	0	0	0	112.1	Q310 K397	H152-Q310 PolarHBondContact O-OE1 3.38Å; H152-K397 PolarHBondContact CD2-NZ 3.16Å; H152-K397 VanDerWaalsContact CD2-NZ 3.32Å; H152-K397 PolarHBondContact CE1-NZ 3.45Å; H152-K397 VanDerWaalsContact CE1-NZ 3.26Å; H152-K397 PolarHBondContact NE2-NZ 2.66Å
153	S	71.4	Confident	83.1	Confident	55 Å²	55	44.3 Å²	44.3	39%	0.385	23%	0.23	S	C	.	.	S	Bend	trans	-76.9	138.4	173	-59.3	0	0	0	0	111.5	Q148 V155 Q310	Q148-S153 PolarHBondContact NE2-O 2.94Å; S153-V155 PolarHBondContact O-N 2.92Å; S153-Q310 VanDerWaalsContact CA-OE1 3.26Å
154	C	75.2	Confident	83.5	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.02	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-68	123.4	172	179	0	0	0	0	109.8	L156 H307 Q310	C154-L156 VanDerWaalsContact SG-CD2 3.54Å; C154-H307 PolarHBondContact SG-ND1 3.32Å; C154-Q310 HydrophobicContact CB-CB 4Å; C154-Q310 VanDerWaalsContact CB-CD 3.47Å; C154-Q310 HydrophobicContact CB-CG 3.9Å
155	V	87.1	Confident	83.9	Confident	28 Å²	28	39.5 Å²	39.5	17%	0.17	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-98.5	134.4	168.9	-174.8	0	0	0	0	108.4	F145 Q148 S153 L163	F145-V155 HydrophobicContact CB-CB 4.01Å; F145-V155 HydrophobicContact CB-CG1 3.92Å; F145-V155 WeakPolarHBondContact CB-O 3.5Å; F145-V155 HydrophobicContact CD1-CB 4.12Å; F145-V155 HydrophobicContact CD1-CG1 3.9Å; F145-V155 HydrophobicContact CG-CB 4.45Å; F145-V155 HydrophobicContact CG-CG1 4.09Å; F145-V155 PolarHBondContact N-O 3.44Å; F145-V155 VanDerWaalsContact N-O 3.07Å; Q148-V155 VanDerWaalsContact OE1-N 3.13Å; S153-V155 PolarHBondContact O-N 2.92Å; V155-L163 HydrophobicContact CG1-CB 3.81Å; V155-L163 HydrophobicContact CG1-CD1 3.82Å; V155-L163 HydrophobicContact CG1-CD2 4.47Å; V155-L163 HydrophobicContact CG1-CG 4.22Å
156	L	89.1	Confident	84.2	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	144.8	-178	-61.2	170.5	0	0	0	110.3	L142 E143 C154 L163 C164 L207 F326	L142-L156 HydrophobicContact CB-CB 4.21Å; L142-L156 HydrophobicContact CB-CD1 4.09Å; L142-L156 HydrophobicContact CD1-CB 4.41Å; L142-L156 HydrophobicContact CD1-CD1 3.67Å; E143-L156 CarbonylContact O-C 3.59Å; E143-L156 WeakPolarHBondContact O-CA 3.34Å; E143-L156 WeakPolarHBondContact O-CD2 3.49Å; C154-L156 VanDerWaalsContact SG-CD2 3.54Å; L156-L163 CarbonylContact O-C 3.46Å; L156-L163 VanDerWaalsContact O-CA 3.31Å; L156-L163 WeakPolarHBondContact O-CA 3.25Å; L156-C164 PolarHBondContact N-O 3.06Å; L156-C164 PolarHBondContact O-N 2.85Å; L156-L207 HydrophobicContact CD1-CD1 3.4Å; L156-L207 VanDerWaalsContact CD1-CD1 3.4Å; L156-L207 HydrophobicContact CD2-CD1 4.36Å; L156-F326 HydrophobicContact CD1-CD1 4.49Å; L156-F326 HydrophobicContact CD1-CE1 3.68Å; L156-F326 HydrophobicContact CD1-CZ 4.32Å
157	R	90.9	Very high	84.9	Confident	89 Å²	89	38.6 Å²	38.6	34%	0.336	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	119.5	173	-166.9	170.1	81.5	124	-2.8	108.7	E143 N159	E143-R157 HydrophobicContact CB-CB 4.3Å; E143-R157 PolarHBondContact N-O 3.44Å; E143-R157 PolarHBondContact O-N 2.77Å; E143-R157 IonicContact OE1-NH2 3.81Å; E143-R157 IonicContact OE2-CZ 2.75Å; E143-R157 IonicContact OE2-NE 2.79Å; E143-R157 PolarHBondContact OE2-NE 3.02Å; E143-R157 IonicContact OE2-NH2 3.5Å; E143-R157 PolarHBondContact OE2-NH2 3.07Å; R157-N159 VanDerWaalsContact CG-O 3.26Å; R157-N159 WeakPolarHBondContact CG-O 3.38Å
158	F	91.8	Very high	85.6	Confident	44 Å²	44	38.6 Å²	38.6	19%	0.193	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	-42.1	171.7	177.7	-91.5	0	0	0	110.3	V140 L142 T162 V193 A209 L328	V140-F158 HydrophobicContact CB-CD2 4.35Å; V140-F158 HydrophobicContact CB-CE2 3.92Å; V140-F158 HydrophobicContact CB-CZ 4.36Å; V140-F158 HydrophobicContact CG1-CD2 4.28Å; V140-F158 HydrophobicContact CG1-CE2 4.25Å; V140-F158 WeakPolarHBondContact CG1-O 3.35Å; V140-F158 HydrophobicContact CG2-CE2 3.95Å; V140-F158 HydrophobicContact CG2-CZ 3.9Å; L142-F158 HydrophobicContact CD2-CB 4.16Å; L142-F158 HydrophobicContact CD2-CD2 3.89Å; L142-F158 HydrophobicContact CD2-CG 4.48Å; F158-T162 HydrophobicContact CB-CG2 4.3Å; F158-T162 HydrophobicContact CD1-CG2 4.13Å; F158-T162 PolarHBondContact N-O 3.32Å; F158-V193 HydrophobicContact CE2-CG1 4.17Å; F158-A209 HydrophobicContact CD2-CB 3.91Å; F158-A209 HydrophobicContact CE2-CB 3.77Å; F158-L328 HydrophobicContact CB-CD2 4.27Å; F158-L328 HydrophobicContact CD1-CD2 4.48Å; F158-L328 HydrophobicContact CD2-CD2 4.03Å; F158-L328 HydrophobicContact CE1-CD1 4.49Å; F158-L328 HydrophobicContact CG-CD2 4.01Å
159	N	91.4	Very high	86.2	Confident	66 Å²	66	40.8 Å²	40.8	35%	0.353	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	-173.5	165.1	62.5	43.8	0	0	0	109.3	R157 T161 T162	R157-N159 VanDerWaalsContact CG-O 3.26Å; R157-N159 WeakPolarHBondContact CG-O 3.38Å; N159-T161 VanDerWaalsContact C-N 3.29Å; N159-T161 PolarHBondContact O-N 3.37Å; N159-T161 PolarHBondContact OD1-N 2.93Å; N159-T161 PolarHBondContact OD1-OG1 3.25Å; N159-T162 PolarHBondContact N-O 3.37Å; N159-T162 VanDerWaalsContact N-O 3.08Å; N159-T162 PolarHBondContact ND2-OG1 2.87Å; N159-T162 PolarHBondContact O-N 2.93Å; N159-T162 WeakPolarHBondContact OD1-CB 3.36Å; N159-T162 PolarHBondContact OD1-N 2.97Å; N159-T162 PolarHBondContact OD1-OG1 2.64Å
160	E	89.6	Confident	87	Confident	142 Å²	142	42.4 Å²	42.4	66%	0.664	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-38.5	-177.3	-61.2	-173.7	156.2	0	0	113.4	N331 S334	E160-N331 PolarHBondContact O-ND2 3.39Å; E160-S334 WeakPolarHBondContact O-CB 3.46Å
161	T	93.3	Very high	88	Confident	71 Å²	71	42.4 Å²	42.4	44%	0.436	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	4.6	-176.4	68.7	0	0	0	0	113.6	N159 K190 N331	N159-T161 VanDerWaalsContact C-N 3.29Å; N159-T161 PolarHBondContact O-N 3.37Å; N159-T161 PolarHBondContact OD1-N 2.93Å; N159-T161 PolarHBondContact OD1-OG1 3.25Å; T161-K190 PolarHBondContact O-NZ 3.18Å; T161-K190 PolarHBondContact OG1-NZ 3.18Å; T161-N331 VanDerWaalsContact C-CB 3.46Å; T161-N331 PolarHBondContact O-N 2.83Å
162	T	94.9	Very high	89.2	Confident	6 Å²	6	43.1 Å²	43.1	4%	0.037	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	121.5	-169.8	-47.2	0	0	0	0	111.6	F158 N159 K190 L328 L329	F158-T162 HydrophobicContact CB-CG2 4.3Å; F158-T162 HydrophobicContact CD1-CG2 4.13Å; F158-T162 PolarHBondContact N-O 3.32Å; N159-T162 PolarHBondContact N-O 3.37Å; N159-T162 VanDerWaalsContact N-O 3.08Å; N159-T162 PolarHBondContact ND2-OG1 2.87Å; N159-T162 PolarHBondContact O-N 2.93Å; N159-T162 WeakPolarHBondContact OD1-CB 3.36Å; N159-T162 PolarHBondContact OD1-N 2.97Å; N159-T162 PolarHBondContact OD1-OG1 2.64Å; T162-K190 HydrophobicContact CG2-CD 3.79Å; T162-K190 PolarHBondContact OG1-NZ 3.27Å; T162-K190 VanDerWaalsContact OG1-NZ 3.1Å; T162-L328 HydrophobicContact CG2-CB 3.96Å; T162-L328 HydrophobicContact CG2-CD1 4.39Å; T162-L328 HydrophobicContact CG2-CD2 4.29Å; T162-L328 HydrophobicContact CG2-CG 4.46Å; T162-L329 CarbonylContact C-O 3.25Å; T162-L329 WeakPolarHBondContact CA-O 3.36Å
163	L	94.6	Very high	90.5	Very high	18 Å²	18	38.6 Å²	38.6	9%	0.094	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	160.7	170.4	-55.7	179.4	0	0	0	109.7	F145 V155 L156 L328 L329 N331	F145-L163 HydrophobicContact CB-CD2 4.46Å; F145-L163 HydrophobicContact CD1-CD1 4.05Å; F145-L163 HydrophobicContact CD2-CD1 4.11Å; F145-L163 HydrophobicContact CD2-CD2 3.45Å; F145-L163 VanDerWaalsContact CD2-CD2 3.45Å; F145-L163 HydrophobicContact CD2-CG 4.45Å; F145-L163 HydrophobicContact CE1-CD1 3.85Å; F145-L163 HydrophobicContact CE2-CD1 3.9Å; F145-L163 HydrophobicContact CE2-CD2 3.75Å; F145-L163 HydrophobicContact CE2-CG 4.48Å; F145-L163 HydrophobicContact CG-CD1 4.19Å; F145-L163 HydrophobicContact CG-CD2 3.94Å; F145-L163 HydrophobicContact CZ-CD1 3.76Å; F145-L163 HydrophobicContact CZ-CD2 4.46Å; V155-L163 HydrophobicContact CG1-CB 3.81Å; V155-L163 HydrophobicContact CG1-CD1 3.82Å; V155-L163 HydrophobicContact CG1-CD2 4.47Å; V155-L163 HydrophobicContact CG1-CG 4.22Å; L156-L163 CarbonylContact O-C 3.46Å; L156-L163 VanDerWaalsContact O-CA 3.31Å; L156-L163 WeakPolarHBondContact O-CA 3.25Å; L163-L328 WeakPolarHBondContact O-CA 3.32Å; L163-L329 PolarHBondContact N-O 2.78Å; L163-L329 PolarHBondContact O-N 3.24Å; L163-N331 HydrophobicContact CD1-CB 4.28Å; L163-N331 HydrophobicContact CD2-CB 4Å; L163-N331 HydrophobicContact CG-CB 3.74Å
164	C	92.1	Very high	91.6	Very high	1 Å²	1	36 Å²	36	1%	0.007	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	148.9	169.3	69.2	0	0	0	0	111.6	L156 F326 I327 L328	L156-C164 PolarHBondContact N-O 3.06Å; L156-C164 PolarHBondContact O-N 2.85Å; C164-F326 HydrophobicContact CB-CB 4.33Å; C164-F326 HydrophobicContact CB-CD1 4.32Å; C164-I327 WeakPolarHBondContact CA-O 3.5Å; C164-I327 WeakPolarHBondContact CB-O 3.43Å; C164-L328 HydrophobicContact CB-CD2 3.59Å
165	K	90.8	Very high	92.6	Very high	13 Å²	13	36.3 Å²	36.3	6%	0.057	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	155.8	173.8	60.1	171.4	170.8	164.7	0	110.6	L167 E171 F326 I327 D506	K165-L167 PolarHBondContact O-N 2.95Å; K165-E171 WeakPolarHBondContact CE-OE1 3.04Å; K165-E171 WeakPolarHBondContact CE-OE2 3.45Å; K165-E171 IonicContact NZ-OE1 2.66Å; K165-E171 PolarHBondContact NZ-OE1 2.95Å; K165-E171 IonicContact NZ-OE2 2.87Å; K165-E171 PolarHBondContact NZ-OE2 2.8Å; K165-F326 CarbonylContact O-C 3.44Å; K165-F326 WeakPolarHBondContact O-CA 3.33Å; K165-F326 WeakPolarHBondContact O-CB 3.44Å; K165-F326 WeakPolarHBondContact O-CD1 3.37Å; K165-I327 HydrophobicContact CG-CD1 4.15Å; K165-I327 HydrophobicContact CG-CG1 3.83Å; K165-I327 PolarHBondContact N-O 2.99Å; K165-I327 VanDerWaalsContact N-O 3.17Å; K165-I327 PolarHBondContact O-N 3.18Å; K165-D506 IonicContact NZ-OD1 2.6Å; K165-D506 PolarHBondContact NZ-OD1 3.15Å
166	P	90.9	Very high	92.9	Very high	25 Å²	25	40.7 Å²	40.7	16%	0.162	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	135.3	178.5	-27	35.6	0	0	0	111.3	V168 M314 F326	P166-V168 PolarHBondContact O-N 2.68Å; P166-M314 HydrophobicContact CG-CE 3.55Å; P166-F326 HydrophobicContact CB-CZ 4.41Å; P166-F326 HydrophobicContact CG-CD1 4.38Å; P166-F326 HydrophobicContact CG-CE1 3.77Å; P166-F326 HydrophobicContact CG-CE2 4.32Å; P166-F326 HydrophobicContact CG-CZ 3.75Å
167	L	93.1	Very high	93.1	Very high	20 Å²	20	43.6 Å²	43.6	11%	0.105	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-69.7	121.2	-178.6	-173.3	154	0	0	0	109.8	K165 P169 H172 V192 N224 K325 I327	K165-L167 PolarHBondContact O-N 2.95Å; L167-P169 HydrophobicContact CD2-CG 4.39Å; L167-H172 HydrophobicContact CD1-CB 4.23Å; L167-H172 HydrophobicContact CD2-CB 4.21Å; L167-H172 HydrophobicContact CG-CB 4.05Å; L167-V192 HydrophobicContact CD1-CG1 3.75Å; L167-V192 HydrophobicContact CD1-CG2 3.93Å; L167-N224 PolarHBondContact O-ND2 3.12Å; L167-K325 HydrophobicContact CB-CB 3.93Å; L167-K325 VanDerWaalsContact CB-O 3.27Å; L167-K325 WeakPolarHBondContact CB-O 3.39Å; L167-K325 HydrophobicContact CD1-CB 4.03Å; L167-K325 PolarHBondContact N-O 2.87Å; L167-I327 HydrophobicContact CB-CG2 4.04Å; L167-I327 HydrophobicContact CD1-CG2 3.76Å; L167-I327 HydrophobicContact CG-CG2 3.74Å
168	V	92.5	Very high	93.2	Very high	48 Å²	48	40.2 Å²	40.2	29%	0.291	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-101.7	125.5	163.4	178.2	0	0	0	0	107.2	P166 R170 E171 H172 A508	P166-V168 PolarHBondContact O-N 2.68Å; V168-R170 PolarHBondContact O-N 2.95Å; V168-E171 HydrophobicContact CB-CB 4.19Å; V168-E171 PolarHBondContact O-N 2.95Å; V168-E171 VanDerWaalsContact O-N 3.15Å; V168-H172 PolarHBondContact O-N 3.01Å; V168-A508 HydrophobicContact CB-CB 4.46Å; V168-A508 HydrophobicContact CG1-CB 4.02Å
169	P	93.1	Very high	93.3	Very high	62 Å²	62	39.2 Å²	39.2	40%	0.403	21%	0.207	S	C	.	.	H	α-helix	trans	-54.3	-45.9	-173.8	-29.8	36.2	0	0	0	114.4	L167 E171 H172 Q173	L167-P169 HydrophobicContact CD2-CG 4.39Å; P169-E171 PolarHBondContact O-N 3.35Å; P169-H172 WeakPolarHBondContact O-CB 3.43Å; P169-H172 PolarHBondContact O-N 3.31Å; P169-Q173 WeakPolarHBondContact O-CB 3.19Å; P169-Q173 PolarHBondContact O-N 2.73Å
170	R	92.9	Very high	93.3	Very high	42 Å²	42	39.1 Å²	39.1	16%	0.158	22%	0.215	C	C	.	.	H	α-helix	trans	-64.5	-36.9	179.2	-175.3	63.7	83.1	-111.9	-0.6	113.1	V168 F174 T510 E517 D518	V168-R170 PolarHBondContact O-N 2.95Å; R170-F174 PolarHBondContact O-N 3.23Å; R170-T510 VanDerWaalsContact CD-O 3.22Å; R170-T510 WeakPolarHBondContact CD-O 3.45Å; R170-T510 WeakPolarHBondContact CG-O 3.4Å; R170-E517 IonicContact CZ-OE2 2.68Å; R170-E517 IonicContact NH1-OE2 3.94Å; R170-E517 PolarHBondContact NH1-OE2 2.9Å; R170-E517 IonicContact NH2-OE2 2.68Å; R170-E517 PolarHBondContact NH2-OE2 3.16Å; R170-D518 IonicContact CZ-OD1 2.91Å; R170-D518 IonicContact NE-OD1 3.48Å; R170-D518 PolarHBondContact NE-OD1 3.36Å; R170-D518 IonicContact NH2-OD1 2.85Å; R170-D518 PolarHBondContact NH2-OD1 2.99Å
171	E	95.6	Very high	93.5	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.019	20%	0.202	C	C	.	.	H	α-helix	trans	-70.6	-38.2	175.2	178.9	157.3	-135.5	0	0	112	K165 V168 P169 F174 Y175 I327 D506 F507 A508	K165-E171 WeakPolarHBondContact CE-OE1 3.04Å; K165-E171 WeakPolarHBondContact CE-OE2 3.45Å; K165-E171 IonicContact NZ-OE1 2.66Å; K165-E171 PolarHBondContact NZ-OE1 2.95Å; K165-E171 IonicContact NZ-OE2 2.87Å; K165-E171 PolarHBondContact NZ-OE2 2.8Å; V168-E171 HydrophobicContact CB-CB 4.19Å; V168-E171 PolarHBondContact O-N 2.95Å; V168-E171 VanDerWaalsContact O-N 3.15Å; P169-E171 PolarHBondContact O-N 3.35Å; E171-F174 PolarHBondContact O-N 3.1Å; E171-Y175 HydrophobicContact CG-CD2 3.97Å; E171-Y175 HydrophobicContact CG-CE2 3.8Å; E171-Y175 VanDerWaalsContact O-CD2 3.25Å; E171-Y175 WeakPolarHBondContact O-CD2 3.43Å; E171-Y175 PolarHBondContact O-N 3.45Å; E171-Y175 VanDerWaalsContact O-N 3.14Å; E171-I327 HydrophobicContact CG-CD1 3.99Å; E171-D506 WeakPolarHBondContact OE1-CA 3.14Å; E171-F507 HydrophobicContact CG-CB 4.15Å; E171-F507 PolarHBondContact OE1-N 3.02Å; E171-A508 HydrophobicContact CB-CB 4.47Å
172	H	95.3	Very high	93.6	Very high	31 Å²	31	32.9 Å²	32.9	14%	0.144	18%	0.181	C	C	.	.	H	α-helix	trans	-61	-49.2	173.3	-179.7	-101.1	0	0	0	111.3	L167 V168 P169 F174 Y175 E176 Y189 V192 I327	L167-H172 HydrophobicContact CD1-CB 4.23Å; L167-H172 HydrophobicContact CD2-CB 4.21Å; L167-H172 HydrophobicContact CG-CB 4.05Å; V168-H172 PolarHBondContact O-N 3.01Å; P169-H172 WeakPolarHBondContact O-CB 3.43Å; P169-H172 PolarHBondContact O-N 3.31Å; H172-F174 VanDerWaalsContact C-N 3.29Å; H172-F174 PolarHBondContact O-N 3.33Å; H172-Y175 PolarHBondContact O-N 2.92Å; H172-E176 IonicContact CE1-OE1 2.96Å; H172-E176 PolarHBondContact CE1-OE1 2.9Å; H172-E176 IonicContact CE1-OE2 3.84Å; H172-E176 PolarHBondContact CE1-OE2 3.32Å; H172-E176 IonicContact CG-OE2 3.22Å; H172-E176 VanDerWaalsContact ND1-CD 3.31Å; H172-E176 IonicContact ND1-OE1 3.17Å; H172-E176 IonicContact ND1-OE2 2.73Å; H172-E176 PolarHBondContact ND1-OE2 3.44Å; H172-E176 IonicContact NE2-OE1 2.71Å; H172-E176 WeakPolarHBondContact O-CG 3.38Å; H172-E176 PolarHBondContact O-N 3.28Å; H172-Y189 PolarHBondContact CD2-OH 3.47Å; H172-Y189 VanDerWaalsContact CD2-OH 3.29Å; H172-Y189 PolarHBondContact NE2-OH 2.83Å; H172-V192 WeakPolarHBondContact NE2-CG2 3.48Å; H172-I327 HydrophobicContact CB-CG2 4.34Å
173	Q	94.8	Very high	93.6	Very high	41 Å²	41	38.9 Å²	38.9	19%	0.192	20%	0.203	C	C	.	.	H	α-helix	trans	-57.4	-40.8	176.1	-173.8	-175.2	27.2	0	0	111.9	P169 Y175 E176 T177 Y515	P169-Q173 WeakPolarHBondContact O-CB 3.19Å; P169-Q173 PolarHBondContact O-N 2.73Å; Q173-Y175 PolarHBondContact O-N 3.11Å; Q173-E176 PolarHBondContact O-N 3.25Å; Q173-T177 HydrophobicContact CG-CG2 4.5Å; Q173-T177 WeakPolarHBondContact O-CB 3.4Å; Q173-T177 WeakPolarHBondContact O-CG2 3.48Å; Q173-T177 PolarHBondContact O-N 2.97Å; Q173-T177 PolarHBondContact O-OG1 3.46Å; Q173-Y515 HydrophobicContact CG-CD1 4.16Å; Q173-Y515 HydrophobicContact CG-CE1 4.2Å
174	F	95.3	Very high	93.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59	-45	173.9	173.6	-92.6	0	0	0	112.2	R170 E171 H172 T177 L178 M182 T186 Y447 F449 F507 T510 Y515	R170-F174 PolarHBondContact O-N 3.23Å; E171-F174 PolarHBondContact O-N 3.1Å; H172-F174 VanDerWaalsContact C-N 3.29Å; H172-F174 PolarHBondContact O-N 3.33Å; F174-T177 CarbonylContact O-C 3.57Å; F174-T177 PolarHBondContact O-N 3.23Å; F174-L178 HydrophobicContact CE1-CD1 3.71Å; F174-L178 HydrophobicContact CE2-CD1 4.37Å; F174-L178 HydrophobicContact CZ-CD1 3.56Å; F174-L178 WeakPolarHBondContact O-CA 3.33Å; F174-L178 WeakPolarHBondContact O-CB 3.45Å; F174-L178 PolarHBondContact O-N 3.44Å; F174-M182 HydrophobicContact CE2-CE 4.46Å; F174-M182 HydrophobicContact CZ-CE 4.04Å; F174-M182 HydrophobicContact CZ-SD 4.45Å; F174-T186 HydrophobicContact CE1-CG2 4.24Å; F174-T186 HydrophobicContact CZ-CG2 4.38Å; F174-Y447 HydrophobicContact CD2-CE1 4.34Å; F174-Y447 HydrophobicContact CE2-CE1 4.2Å; F174-F449 AromaticContact CE2-CE1 3.77Å; F174-F449 HydrophobicContact CE2-CE1 3.77Å; F174-F449 HydrophobicContact CZ-CE1 4.21Å; F174-F507 HydrophobicContact CB-CB 3.94Å; F174-F507 HydrophobicContact CD1-CB 3.5Å; F174-F507 AromaticContact CD1-CD1 3.72Å; F174-F507 HydrophobicContact CD1-CD1 3.72Å; F174-F507 AromaticContact CD1-CD2 3.4Å; F174-F507 HydrophobicContact CD1-CD2 3.4Å; F174-F507 VanDerWaalsContact CD1-CD2 3.4Å; F174-F507 HydrophobicContact CD1-CE1 4.28Å; F174-F507 HydrophobicContact CD1-CE2 4Å; F174-F507 AromaticContact CD1-CG 3.23Å; F174-F507 HydrophobicContact CD1-CG 3.23Å; F174-F507 HydrophobicContact CD1-CZ 4.39Å; F174-F507 HydrophobicContact CD2-CB 4.4Å; F174-F507 HydrophobicContact CD2-CD1 4.34Å; F174-F507 HydrophobicContact CD2-CG 4.44Å; F174-F507 HydrophobicContact CE1-CB 4.13Å; F174-F507 AromaticContact CE1-CD1 3.41Å; F174-F507 HydrophobicContact CE1-CD1 3.41Å; F174-F507 VanDerWaalsContact CE1-CD1 3.41Å; F174-F507 AromaticContact CE1-CD2 3.4Å; F174-F507 HydrophobicContact CE1-CD2 3.4Å; F174-F507 VanDerWaalsContact CE1-CD2 3.4Å; F174-F507 AromaticContact CE1-CE1 3.51Å; F174-F507 HydrophobicContact CE1-CE1 3.51Å; F174-F507 AromaticContact CE1-CE2 3.51Å; F174-F507 HydrophobicContact CE1-CE2 3.51Å; F174-F507 AromaticContact CE1-CG 3.34Å; F174-F507 HydrophobicContact CE1-CG 3.34Å; F174-F507 AromaticContact CE1-CZ 3.55Å; F174-F507 HydrophobicContact CE1-CZ 3.55Å; F174-F507 HydrophobicContact CE2-CD1 4.1Å; F174-F507 HydrophobicContact CE2-CE1 4.42Å; F174-F507 HydrophobicContact CG-CB 3.66Å; F174-F507 HydrophobicContact CG-CD1 4.18Å; F174-F507 HydrophobicContact CG-CD2 4.4Å; F174-F507 AromaticContact CG-CG 3.83Å; F174-F507 HydrophobicContact CG-CG 3.83Å; F174-F507 AromaticContact CZ-CD1 3.62Å; F174-F507 HydrophobicContact CZ-CD1 3.62Å; F174-F507 HydrophobicContact CZ-CD2 4.41Å; F174-F507 AromaticContact CZ-CE1 3.6Å; F174-F507 HydrophobicContact CZ-CE1 3.6Å; F174-F507 HydrophobicContact CZ-CE2 4.39Å; F174-F507 HydrophobicContact CZ-CG 4.04Å; F174-F507 HydrophobicContact CZ-CZ 4Å; F174-T510 HydrophobicContact CD2-CG2 3.79Å; F174-T510 HydrophobicContact CE2-CG2 4.25Å; F174-Y515 WeakPolarHBondContact CA-OH 3.27Å; F174-Y515 WeakPolarHBondContact CD2-OH 3.44Å
175	Y	96.1	Very high	93.9	Very high	10 Å²	10	43.6 Å²	43.6	4%	0.039	22%	0.223	C	C	.	.	H	α-helix	trans	-69.1	-33.5	177.3	-80.5	-67.7	0	0	0	113.6	E171 H172 Q173 L178 P187 Y189 I327 L329 F507	E171-Y175 HydrophobicContact CG-CD2 3.97Å; E171-Y175 HydrophobicContact CG-CE2 3.8Å; E171-Y175 VanDerWaalsContact O-CD2 3.25Å; E171-Y175 WeakPolarHBondContact O-CD2 3.43Å; E171-Y175 PolarHBondContact O-N 3.45Å; E171-Y175 VanDerWaalsContact O-N 3.14Å; H172-Y175 PolarHBondContact O-N 2.92Å; Q173-Y175 PolarHBondContact O-N 3.11Å; Y175-L178 HydrophobicContact CD1-CD2 4.48Å; Y175-P187 WeakPolarHBondContact CE1-O 3.35Å; Y175-Y189 HydrophobicContact CG-CD2 4.36Å; Y175-Y189 HydrophobicContact CG-CG 4.33Å; Y175-I327 HydrophobicContact CD2-CD1 4.23Å; Y175-I327 HydrophobicContact CE2-CD1 4.18Å; Y175-L329 HydrophobicContact CD1-CD2 4.19Å; Y175-L329 HydrophobicContact CD2-CD2 4.09Å; Y175-L329 HydrophobicContact CE1-CD2 3.74Å; Y175-L329 HydrophobicContact CE2-CD1 4.13Å; Y175-L329 HydrophobicContact CE2-CD2 3.65Å; Y175-L329 HydrophobicContact CG-CD2 4.35Å; Y175-L329 VanDerWaalsContact CZ-CD2 3.43Å; Y175-F507 HydrophobicContact CE1-CD2 4.47Å; Y175-F507 HydrophobicContact CE1-CE2 4.25Å; Y175-F507 AromaticContact CE2-CD2 3.85Å; Y175-F507 HydrophobicContact CE2-CD2 3.85Å; Y175-F507 HydrophobicContact CE2-CE2 4.32Å; Y175-F507 AromaticContact CZ-CD2 3.77Å; Y175-F507 AromaticContact CZ-CE2 3.76Å; Y175-F507 WeakPolarHBondContact OH-CE2 3.45Å
176	E	93.6	Very high	94.2	Very high	120 Å²	120	43 Å²	43	56%	0.561	22%	0.22	S	C	*	.	H	α-helix	trans	-69.9	-33.1	174.4	-70.8	-179.2	124.9	0	0	112.8	H172 Q173 Y189	H172-E176 IonicContact CE1-OE1 2.96Å; H172-E176 PolarHBondContact CE1-OE1 2.9Å; H172-E176 IonicContact CE1-OE2 3.84Å; H172-E176 PolarHBondContact CE1-OE2 3.32Å; H172-E176 IonicContact CG-OE2 3.22Å; H172-E176 VanDerWaalsContact ND1-CD 3.31Å; H172-E176 IonicContact ND1-OE1 3.17Å; H172-E176 IonicContact ND1-OE2 2.73Å; H172-E176 PolarHBondContact ND1-OE2 3.44Å; H172-E176 IonicContact NE2-OE1 2.71Å; H172-E176 WeakPolarHBondContact O-CG 3.38Å; H172-E176 PolarHBondContact O-N 3.28Å; Q173-E176 PolarHBondContact O-N 3.25Å; E176-Y189 HydrophobicContact CG-CE1 4.34Å
177	T	92.8	Very high	94.5	Very high	63 Å²	63	42.1 Å²	42.1	39%	0.387	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	13.8	-177.1	59.8	0	0	0	0	113.6	Q173 F174 P179 Y515	Q173-T177 HydrophobicContact CG-CG2 4.5Å; Q173-T177 WeakPolarHBondContact O-CB 3.4Å; Q173-T177 WeakPolarHBondContact O-CG2 3.48Å; Q173-T177 PolarHBondContact O-N 2.97Å; Q173-T177 PolarHBondContact O-OG1 3.46Å; F174-T177 CarbonylContact O-C 3.57Å; F174-T177 PolarHBondContact O-N 3.23Å; T177-P179 WeakPolarHBondContact O-CD 3.31Å; T177-Y515 WeakPolarHBondContact OG1-CE1 3.33Å
178	L	93.1	Very high	94.6	Very high	17 Å²	17	44.6 Å²	44.6	9%	0.089	23%	0.226	C	C	.	.			trans	-59.6	117.5	-172.4	176.9	64.4	0	0	0	112.4	F174 Y175 M182 R183 T186	F174-L178 HydrophobicContact CE1-CD1 3.71Å; F174-L178 HydrophobicContact CE2-CD1 4.37Å; F174-L178 HydrophobicContact CZ-CD1 3.56Å; F174-L178 WeakPolarHBondContact O-CA 3.33Å; F174-L178 WeakPolarHBondContact O-CB 3.45Å; F174-L178 PolarHBondContact O-N 3.44Å; Y175-L178 HydrophobicContact CD1-CD2 4.48Å; L178-M182 HydrophobicContact CD1-CB 3.76Å; L178-R183 HydrophobicContact CD2-CG 3.8Å; L178-R183 HydrophobicContact CG-CG 4.02Å; L178-T186 HydrophobicContact CD1-CG2 3.88Å; L178-T186 VanDerWaalsContact CD2-OG1 3.28Å; L178-T186 WeakPolarHBondContact CD2-OG1 3.42Å
179	P	92.8	Very high	94.8	Very high	23 Å²	23	45.4 Å²	45.4	15%	0.149	22%	0.224	C	C	.	.			trans	-55.6	139.1	176.2	-27.4	36.2	0	0	0	112.1	T177 E181 M182 R183 Y447	T177-P179 WeakPolarHBondContact O-CD 3.31Å; P179-E181 VanDerWaalsContact C-N 3.25Å; P179-E181 PolarHBondContact O-N 3Å; P179-M182 HydrophobicContact CB-CB 4.49Å; P179-M182 HydrophobicContact CB-CG 4.21Å; P179-M182 HydrophobicContact CG-CG 4.48Å; P179-M182 HydrophobicContact CG-SD 4.2Å; P179-M182 WeakPolarHBondContact O-CB 3.29Å; P179-M182 PolarHBondContact O-N 2.88Å; P179-R183 PolarHBondContact O-N 3.32Å; P179-Y447 HydrophobicContact CG-CE2 3.95Å; P179-Y447 VanDerWaalsContact CG-OH 3.31Å; P179-Y447 WeakPolarHBondContact CG-OH 3.49Å
180	A	93.3	Very high	94.9	Very high	64 Å²	64	45.7 Å²	45.7	53%	0.529	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-56.6	-40.3	-174.8	0	0	0	0	0	112.7	M182 R183	A180-M182 VanDerWaalsContact C-N 3.26Å; A180-M182 PolarHBondContact O-N 3.31Å; A180-R183 WeakPolarHBondContact O-CB 3.4Å; A180-R183 WeakPolarHBondContact O-CG 3.46Å; A180-R183 PolarHBondContact O-N 2.94Å
181	E	93.7	Very high	95	Very high	83 Å²	83	44.8 Å²	44.8	39%	0.388	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-61.9	-31.3	178.3	-55	172.5	101.2	0	0	113.1	P179 V440 R443 Q444	P179-E181 VanDerWaalsContact C-N 3.25Å; P179-E181 PolarHBondContact O-N 3Å; E181-V440 HydrophobicContact CB-CG1 3.94Å; E181-V440 HydrophobicContact CB-CG2 4.39Å; E181-R443 IonicContact OE1-CZ 2.75Å; E181-R443 VanDerWaalsContact OE1-CZ 3.27Å; E181-R443 IonicContact OE1-NE 3.27Å; E181-R443 PolarHBondContact OE1-NE 3.47Å; E181-R443 IonicContact OE1-NH2 2.65Å; E181-R443 PolarHBondContact OE1-NH2 2.89Å; E181-Q444 PolarHBondContact OE2-NE2 3Å
182	M	94.9	Very high	95	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-80.6	-19.3	179.5	-68.3	-167.4	71.6	0	0	113.1	F174 L178 P179 A180 K184 F185 T186 V440 L441 Q444 F449 M504	F174-M182 HydrophobicContact CE2-CE 4.46Å; F174-M182 HydrophobicContact CZ-CE 4.04Å; F174-M182 HydrophobicContact CZ-SD 4.45Å; L178-M182 HydrophobicContact CD1-CB 3.76Å; P179-M182 HydrophobicContact CB-CB 4.49Å; P179-M182 HydrophobicContact CB-CG 4.21Å; P179-M182 HydrophobicContact CG-CG 4.48Å; P179-M182 HydrophobicContact CG-SD 4.2Å; P179-M182 WeakPolarHBondContact O-CB 3.29Å; P179-M182 PolarHBondContact O-N 2.88Å; A180-M182 VanDerWaalsContact C-N 3.26Å; A180-M182 PolarHBondContact O-N 3.31Å; M182-K184 PolarHBondContact O-N 3.32Å; M182-K184 VanDerWaalsContact O-N 3.15Å; M182-F185 CarbonylContact O-C 3.57Å; M182-F185 WeakPolarHBondContact O-CA 3.45Å; M182-F185 PolarHBondContact O-N 2.9Å; M182-T186 PolarHBondContact O-N 3.22Å; M182-V440 HydrophobicContact CG-CG1 3.97Å; M182-L441 HydrophobicContact CE-CD2 3.83Å; M182-L441 HydrophobicContact SD-CD2 4.49Å; M182-Q444 HydrophobicContact CG-CG 4.12Å; M182-Q444 HydrophobicContact SD-CG 3.93Å; M182-F449 HydrophobicContact CE-CE1 3.8Å; M182-F449 HydrophobicContact CE-CZ 3.62Å; M182-F449 HydrophobicContact SD-CZ 4.05Å; M182-M504 HydrophobicContact CE-CE 4.04Å; M182-M504 HydrophobicContact CE-SD 3.55Å; M182-M504 VanDerWaalsContact CE-SD 3.55Å
183	R	94.7	Very high	95	Very high	132 Å²	132	44.8 Å²	44.8	50%	0.498	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-56.1	-36.3	-173.5	-66.9	176.2	-174.3	157.6	3.1	113.4	L178 P179 A180 F185 T186	L178-R183 HydrophobicContact CD2-CG 3.8Å; L178-R183 HydrophobicContact CG-CG 4.02Å; P179-R183 PolarHBondContact O-N 3.32Å; A180-R183 WeakPolarHBondContact O-CB 3.4Å; A180-R183 WeakPolarHBondContact O-CG 3.46Å; A180-R183 PolarHBondContact O-N 2.94Å; R183-F185 PolarHBondContact O-N 2.87Å; R183-T186 PolarHBondContact O-N 2.7Å; R183-T186 VanDerWaalsContact O-O 3.13Å; R183-T186 PolarHBondContact O-OG1 2.89Å
184	K	95	Very high	94.9	Very high	112 Å²	112	43 Å²	43	49%	0.487	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-67.4	-17.7	176.2	66.4	170.3	176.6	170	0	113.9	M182 E436 R503	M182-K184 PolarHBondContact O-N 3.32Å; M182-K184 VanDerWaalsContact O-N 3.15Å; K184-E436 IonicContact NZ-OE2 3.21Å; K184-E436 PolarHBondContact NZ-OE2 3.38Å; K184-R503 PolarHBondContact O-NE 2.71Å
185	F	97.3	Very high	94.7	Very high	5 Å²	5	43 Å²	43	2%	0.022	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-107.4	4.7	-179.4	-62.2	-58.5	0	0	0	114.2	M182 R183 E436 L437 V440 R503 M504	M182-F185 CarbonylContact O-C 3.57Å; M182-F185 WeakPolarHBondContact O-CA 3.45Å; M182-F185 PolarHBondContact O-N 2.9Å; R183-F185 PolarHBondContact O-N 2.87Å; F185-E436 HydrophobicContact CZ-CB 3.7Å; F185-L437 HydrophobicContact CB-CD1 3.87Å; F185-L437 HydrophobicContact CD1-CB 4.05Å; F185-L437 HydrophobicContact CD1-CD1 4.26Å; F185-L437 HydrophobicContact CD2-CB 4.23Å; F185-L437 HydrophobicContact CD2-CD1 3.64Å; F185-L437 HydrophobicContact CE1-CB 3.85Å; F185-L437 VanDerWaalsContact CE2-CA 3.5Å; F185-L437 HydrophobicContact CE2-CB 4.01Å; F185-L437 HydrophobicContact CE2-CD1 4.2Å; F185-L437 HydrophobicContact CG-CB 4.24Å; F185-L437 HydrophobicContact CG-CD1 3.67Å; F185-L437 HydrophobicContact CG-CG 4.44Å; F185-L437 HydrophobicContact CZ-CB 3.83Å; F185-L437 VanDerWaalsContact CZ-N 3.33Å; F185-V440 HydrophobicContact CE2-CB 4.22Å; F185-V440 HydrophobicContact CE2-CG2 3.9Å; F185-R503 VanDerWaalsContact C-CD 3.45Å; F185-R503 CarbonylContact O-C 3.4Å; F185-R503 WeakPolarHBondContact O-CA 3.23Å; F185-M504 PolarHBondContact O-N 3.46Å
186	T	97.2	Very high	94.3	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	23%	0.233	C	C	.	.	S	Bend	trans	-125.5	148.4	177.9	58.3	0	0	0	0	110.2	F174 L178 M182 R183 Q188 R503 F507	F174-T186 HydrophobicContact CE1-CG2 4.24Å; F174-T186 HydrophobicContact CZ-CG2 4.38Å; L178-T186 HydrophobicContact CD1-CG2 3.88Å; L178-T186 VanDerWaalsContact CD2-OG1 3.28Å; L178-T186 WeakPolarHBondContact CD2-OG1 3.42Å; M182-T186 PolarHBondContact O-N 3.22Å; R183-T186 PolarHBondContact O-N 2.7Å; R183-T186 VanDerWaalsContact O-O 3.13Å; R183-T186 PolarHBondContact O-OG1 2.89Å; T186-Q188 PolarHBondContact O-N 3.03Å; T186-R503 PolarHBondContact O-NH1 2.88Å; T186-F507 HydrophobicContact CG2-CE2 4.22Å; T186-F507 HydrophobicContact CG2-CZ 3.71Å
187	P	97.1	Very high	93.8	Very high	6 Å²	6	42.1 Å²	42.1	4%	0.039	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-51.3	135.9	169.3	-21.6	29.5	0	0	0	111	Y175 Y189 L329 E330 L332 M504 I505	Y175-P187 WeakPolarHBondContact CE1-O 3.35Å; P187-Y189 PolarHBondContact O-N 3.01Å; P187-L329 HydrophobicContact CB-CB 4.22Å; P187-E330 HydrophobicContact CB-CB 4.13Å; P187-L332 HydrophobicContact CG-CD1 4.1Å; P187-L332 HydrophobicContact CG-CG 4.49Å; P187-M504 VanDerWaalsContact CD-O 3.27Å; P187-M504 WeakPolarHBondContact CD-O 3.45Å; P187-I505 HydrophobicContact CG-CG2 3.9Å
188	Q	95.9	Very high	93.3	Very high	72 Å²	72	42.4 Å²	42.4	34%	0.336	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-57.8	127.1	174.7	-169.5	-170.6	38.1	0	0	110.6	T186 K190 L329 E330	T186-Q188 PolarHBondContact O-N 3.03Å; Q188-K190 VanDerWaalsContact OE1-CE 3.31Å; Q188-L329 CarbonylContact O-C 3.55Å; Q188-L329 WeakPolarHBondContact O-CA 3.43Å; Q188-E330 HydrophobicContact CB-CB 3.96Å; Q188-E330 PolarHBondContact N-OE2 2.92Å; Q188-E330 PolarHBondContact O-N 2.85Å
189	Y	96.8	Very high	92.7	Very high	65 Å²	65	48.1 Å²	48.1	26%	0.255	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	131.8	171.2	178.5	-130.5	0	0	0	110.7	H172 Y175 E176 P187 G191 V192 I327 L328 L329	H172-Y189 PolarHBondContact CD2-OH 3.47Å; H172-Y189 VanDerWaalsContact CD2-OH 3.29Å; H172-Y189 PolarHBondContact NE2-OH 2.83Å; Y175-Y189 HydrophobicContact CG-CD2 4.36Å; Y175-Y189 HydrophobicContact CG-CG 4.33Å; E176-Y189 HydrophobicContact CG-CE1 4.34Å; P187-Y189 PolarHBondContact O-N 3.01Å; Y189-G191 VanDerWaalsContact CE2-O 3.23Å; Y189-G191 WeakPolarHBondContact CE2-O 3.48Å; Y189-V192 WeakPolarHBondContact OH-CG2 3.46Å; Y189-I327 HydrophobicContact CE2-CB 4.33Å; Y189-I327 HydrophobicContact CE2-CG2 4.45Å; Y189-L328 WeakPolarHBondContact CD2-O 3.2Å; Y189-L329 HydrophobicContact CD2-CD2 4.24Å
190	K	95.8	Very high	91.9	Very high	68 Å²	68	49.9 Å²	49.9	30%	0.296	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	14.3	-174	-70	178.5	170.1	-173.4	0	113.4	T161 T162 Q188 L328	T161-K190 PolarHBondContact O-NZ 3.18Å; T161-K190 PolarHBondContact OG1-NZ 3.18Å; T162-K190 HydrophobicContact CG2-CD 3.79Å; T162-K190 PolarHBondContact OG1-NZ 3.27Å; T162-K190 VanDerWaalsContact OG1-NZ 3.1Å; Q188-K190 VanDerWaalsContact OE1-CE 3.31Å; K190-L328 HydrophobicContact CB-CB 3.7Å; K190-L328 PolarHBondContact N-O 2.93Å
191	G	95.1	Very high	91.2	Very high	23 Å²	23	56.5 Å²	56.5	24%	0.237	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	97.6	-163	177.5	0	0	0	0	0	114.8	Y189 L328	Y189-G191 VanDerWaalsContact CE2-O 3.23Å; Y189-G191 WeakPolarHBondContact CE2-O 3.48Å; G191-L328 PolarHBondContact O-N 2.93Å
192	V	95.5	Very high	90.4	Very high	27 Å²	27	59 Å²	59	16%	0.164	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	142.2	-177	-171.7	0	0	0	0	110.9	L167 H172 Y189 L212 K325 F326 I327	L167-V192 HydrophobicContact CD1-CG1 3.75Å; L167-V192 HydrophobicContact CD1-CG2 3.93Å; H172-V192 WeakPolarHBondContact NE2-CG2 3.48Å; Y189-V192 WeakPolarHBondContact OH-CG2 3.46Å; V192-L212 HydrophobicContact CB-CD1 3.7Å; V192-L212 HydrophobicContact CG1-CD1 3.79Å; V192-L212 WeakPolarHBondContact O-CD1 3.38Å; V192-K325 HydrophobicContact CG1-CB 3.98Å; V192-K325 HydrophobicContact CG1-CG 4.39Å; V192-F326 WeakPolarHBondContact CA-O 3.47Å; V192-F326 VanDerWaalsContact CG1-O 3.31Å; V192-F326 WeakPolarHBondContact CG1-O 3.1Å; V192-I327 HydrophobicContact CG2-CG2 4.44Å
193	V	94.4	Very high	89.4	Confident	9 Å²	9	68.5 Å²	68.5	6%	0.055	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	157.2	172.1	-67	0	0	0	0	111.9	F158 V195 A209 K325 F326 L328	F158-V193 HydrophobicContact CE2-CG1 4.17Å; V193-V195 HydrophobicContact CG2-CG2 4.18Å; V193-A209 HydrophobicContact CB-CB 4.43Å; V193-A209 HydrophobicContact CG2-CB 4.11Å; V193-K325 WeakPolarHBondContact O-CA 3.13Å; V193-F326 HydrophobicContact CG2-CB 4.02Å; V193-F326 PolarHBondContact N-O 3.32Å; V193-F326 PolarHBondContact O-N 3.03Å; V193-L328 HydrophobicContact CB-CD2 4.49Å; V193-L328 HydrophobicContact CG1-CD1 3.77Å; V193-L328 HydrophobicContact CG1-CD2 4.02Å; V193-L328 HydrophobicContact CG1-CG 3.99Å; V193-L328 HydrophobicContact CG2-CD2 3.68Å; V193-L328 HydrophobicContact CG2-CG 4.3Å
194	S	92.9	Very high	88.2	Confident	4 Å²	4	66.7 Å²	66.7	3%	0.028	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	115.2	173.4	160.6	0	0	0	0	109.9	Y210 Q323 Y324	S194-Y210 PolarHBondContact N-O 3.42Å; S194-Y210 PolarHBondContact O-N 2.92Å; S194-Q323 WeakPolarHBondContact OG-CG 3.47Å; S194-Q323 PolarHBondContact OG-NE2 2.85Å; S194-Y324 CarbonylContact C-O 3.53Å; S194-Y324 WeakPolarHBondContact CA-O 3.3Å
195	V	90.8	Very high	87.2	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	138.9	178.7	-175.3	0	0	0	0	111	L142 V193 L207 I208 A209 Y324 F326	L142-V195 HydrophobicContact CD1-CG1 3.82Å; L142-V195 HydrophobicContact CD1-CG2 3.82Å; V193-V195 HydrophobicContact CG2-CG2 4.18Å; V195-L207 HydrophobicContact CG1-CB 4.16Å; V195-L207 HydrophobicContact CG1-CD2 3.8Å; V195-I208 CarbonylContact C-O 3.58Å; V195-I208 WeakPolarHBondContact CA-O 3.35Å; V195-A209 HydrophobicContact CG2-CB 4.1Å; V195-Y324 PolarHBondContact N-O 3.46Å; V195-Y324 PolarHBondContact O-N 3.43Å; V195-F326 HydrophobicContact CB-CD2 3.6Å; V195-F326 HydrophobicContact CB-CE2 3.68Å; V195-F326 HydrophobicContact CB-CG 4.29Å; V195-F326 HydrophobicContact CB-CZ 4.4Å; V195-F326 HydrophobicContact CG1-CD2 4.42Å; V195-F326 HydrophobicContact CG1-CE2 4.09Å; V195-F326 HydrophobicContact CG1-CZ 4.38Å; V195-F326 HydrophobicContact CG2-CB 3.83Å; V195-F326 HydrophobicContact CG2-CD1 4.15Å; V195-F326 HydrophobicContact CG2-CD2 3.34Å; V195-F326 HydrophobicContact CG2-CE2 3.85Å; V195-F326 HydrophobicContact CG2-CG 3.52Å; V195-F326 HydrophobicContact CG2-CZ 4.43Å
196	R	88.4	Confident	86.4	Confident	98 Å²	98	64.9 Å²	64.9	37%	0.37	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	154.9	176.7	-57.4	-173.1	169.9	167.6	-5.3	110.8	L207 I208 Y210 N322 Q323	R196-L207 WeakPolarHBondContact O-CA 3.4Å; R196-I208 PolarHBondContact N-O 2.86Å; R196-I208 PolarHBondContact O-N 2.72Å; R196-Y210 HydrophobicContact CB-CE2 4.33Å; R196-Y210 HydrophobicContact CG-CD2 4.16Å; R196-Y210 HydrophobicContact CG-CE2 4.24Å; R196-N322 WeakPolarHBondContact CG-O 3.47Å; R196-Q323 HydrophobicContact CG-CG 4.49Å
197	F	83.3	Confident	85.9	Confident	12 Å²	12	65.2 Å²	65.2	5%	0.053	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	131.4	166.2	-68.2	-90.3	0	0	0	110	L205 C206 L207 L311 M314 A318 N322 Y324	F197-L205 HydrophobicContact CB-CD2 4.41Å; F197-C206 WeakPolarHBondContact CA-O 3.38Å; F197-L207 HydrophobicContact CD1-CD2 3.67Å; F197-L207 HydrophobicContact CD1-CG 4.46Å; F197-L207 HydrophobicContact CD2-CD2 4.23Å; F197-L207 HydrophobicContact CE1-CD2 3.31Å; F197-L207 HydrophobicContact CE1-CG 4.06Å; F197-L207 HydrophobicContact CE2-CD2 3.89Å; F197-L207 HydrophobicContact CG-CD2 4.1Å; F197-L207 HydrophobicContact CZ-CD2 3.39Å; F197-L207 HydrophobicContact CZ-CG 4.46Å; F197-L311 HydrophobicContact CE1-CD2 4.45Å; F197-M314 HydrophobicContact CE1-CB 4.19Å; F197-M314 HydrophobicContact CE2-CB 3.93Å; F197-M314 HydrophobicContact CE2-SD 4.34Å; F197-M314 HydrophobicContact CZ-CB 3.31Å; F197-M314 HydrophobicContact CZ-CG 4.16Å; F197-M314 HydrophobicContact CZ-SD 3.73Å; F197-A318 HydrophobicContact CD2-CB 4.1Å; F197-N322 WeakPolarHBondContact CA-OD1 3.34Å; F197-N322 VanDerWaalsContact CB-OD1 3.27Å; F197-N322 WeakPolarHBondContact CB-OD1 3.29Å; F197-N322 PolarHBondContact N-OD1 3.14Å; F197-N322 PolarHBondContact O-ND2 3.06Å; F197-N322 PolarHBondContact O-OD1 2.87Å; F197-Y324 HydrophobicContact CD2-CD2 4.38Å; F197-Y324 AromaticContact CD2-CE2 3.95Å; F197-Y324 HydrophobicContact CD2-CE2 3.95Å; F197-Y324 AromaticContact CE2-CD2 3.98Å; F197-Y324 HydrophobicContact CE2-CD2 3.98Å; F197-Y324 AromaticContact CE2-CE2 3.59Å; F197-Y324 HydrophobicContact CE2-CE2 3.59Å
198	E	82.1	Confident	85.5	Confident	70 Å²	70	66.2 Å²	66.2	33%	0.327	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	143.6	173.3	-73.7	170.4	-132.1	0	0	108.4	C206 I208 Y210	E198-C206 PolarHBondContact N-O 2.63Å; E198-C206 PolarHBondContact O-N 2.79Å; E198-I208 HydrophobicContact CB-CD1 4.18Å; E198-I208 HydrophobicContact CG-CD1 4.48Å; E198-Y210 WeakPolarHBondContact OE1-CE2 3.32Å; E198-Y210 PolarHBondContact OE1-OH 2.9Å
199	E	80	Confident	85.4	Confident	136 Å²	136	62.8 Å²	62.8	64%	0.636	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	131	172.1	-69.8	-176.7	174.1	0	0	108.5	N204 L205	E199-N204 CarbonylContact C-O 3.57Å; E199-N204 WeakPolarHBondContact CA-O 3.25Å; E199-L205 HydrophobicContact CG-CD2 3.64Å; E199-L205 HydrophobicContact CG-CG 4.48Å
200	D	75.7	Confident	85.1	Confident	60 Å²	60	62.2 Å²	62.2	32%	0.321	30%	0.298	S	S	.	.			trans	-77.8	178.7	172.3	68.2	17.9	0	0	0	112	D202 R203 N204	D200-D202 PolarHBondContact O-N 3.19Å; D200-D202 WeakPolarHBondContact OD1-CA 3.48Å; D200-D202 WeakPolarHBondContact OD1-CB 3.39Å; D200-D202 PolarHBondContact OD1-N 2.97Å; D200-D202 VanDerWaalsContact OD1-N 3.08Å; D200-R203 WeakPolarHBondContact O-CA 3.34Å; D200-R203 PolarHBondContact O-N 2.85Å; D200-R203 PolarHBondContact OD1-N 3.31Å; D200-N204 PolarHBondContact N-O 3.2Å; D200-N204 PolarHBondContact OD1-N 3.08Å; D200-N204 PolarHBondContact OD1-ND2 2.84Å; D200-N204 WeakPolarHBondContact OD2-CB 3.3Å
201	E	79.2	Confident	84.6	Confident	203 Å²	203	64 Å²	64	95%	0.949	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-26.4	-178.2	-62.2	178.8	-178.3	0	0	112.4
202	D	77.1	Confident	83.9	Confident	135 Å²	135	66.9 Å²	66.9	72%	0.722	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	3.1	176.1	-69.2	-43.2	0	0	0	113.1	D200 N204	D200-D202 PolarHBondContact O-N 3.19Å; D200-D202 WeakPolarHBondContact OD1-CA 3.48Å; D200-D202 WeakPolarHBondContact OD1-CB 3.39Å; D200-D202 PolarHBondContact OD1-N 2.97Å; D200-D202 VanDerWaalsContact OD1-N 3.08Å; D202-N204 VanDerWaalsContact C-N 3.27Å; D202-N204 VanDerWaalsContact CB-ND2 3.26Å; D202-N204 WeakPolarHBondContact CB-ND2 3.47Å; D202-N204 PolarHBondContact O-N 3.03Å
203	R	72.2	Confident	82.4	Confident	200 Å²	200	75.3 Å²	75.3	76%	0.755	36%	0.361	S	S	*	.	S	Bend	trans	63.5	22.6	-175.1	-50.2	179.9	-179	179.2	-1	114.9	D200	D200-R203 WeakPolarHBondContact O-CA 3.34Å; D200-R203 PolarHBondContact O-N 2.85Å; D200-R203 PolarHBondContact OD1-N 3.31Å
204	N	70.8	Confident	80.3	Confident	94 Å²	94	79 Å²	79	50%	0.503	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-79.5	153.5	165.8	-51.1	-73.4	0	0	0	109.7	E199 D200 D202	E199-N204 CarbonylContact C-O 3.57Å; E199-N204 WeakPolarHBondContact CA-O 3.25Å; D200-N204 PolarHBondContact N-O 3.2Å; D200-N204 PolarHBondContact OD1-N 3.08Å; D200-N204 PolarHBondContact OD1-ND2 2.84Å; D200-N204 WeakPolarHBondContact OD2-CB 3.3Å; D202-N204 VanDerWaalsContact C-N 3.27Å; D202-N204 VanDerWaalsContact CB-ND2 3.26Å; D202-N204 WeakPolarHBondContact CB-ND2 3.47Å; D202-N204 PolarHBondContact O-N 3.03Å
205	L	73.4	Confident	77.6	Confident	49 Å²	49	85.9 Å²	85.9	26%	0.257	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	119.1	178.4	-74.8	167.2	0	0	0	111	F197 E199 K315	F197-L205 HydrophobicContact CB-CD2 4.41Å; E199-L205 HydrophobicContact CG-CD2 3.64Å; E199-L205 HydrophobicContact CG-CG 4.48Å; L205-K315 HydrophobicContact CD1-CB 3.97Å; L205-K315 HydrophobicContact CD1-CD 3.35Å; L205-K315 VanDerWaalsContact CD1-CE 3.4Å; L205-K315 HydrophobicContact CD1-CG 3.47Å; L205-K315 VanDerWaalsContact CD1-CG 3.47Å
206	C	80.6	Confident	75.6	Confident	30 Å²	30	95.6 Å²	95.6	20%	0.203	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	152	171.7	-70.6	0	0	0	0	111	L141 F197 E198	L141-C206 HydrophobicContact CD1-CB 3.61Å; F197-C206 WeakPolarHBondContact CA-O 3.38Å; E198-C206 PolarHBondContact N-O 2.63Å; E198-C206 PolarHBondContact O-N 2.79Å
207	L	86.4	Confident	72.9	Confident	8 Å²	8	93.7 Å²	93.7	4%	0.042	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121.1	171.5	-77.5	177.3	0	0	0	108.9	L142 L156 V195 R196 F197 L311	L142-L207 HydrophobicContact CB-CB 3.99Å; L142-L207 WeakPolarHBondContact CB-O 3.44Å; L142-L207 HydrophobicContact CD1-CB 4.22Å; L142-L207 HydrophobicContact CG-CB 4.45Å; L142-L207 PolarHBondContact N-O 3.16Å; L156-L207 HydrophobicContact CD1-CD1 3.4Å; L156-L207 VanDerWaalsContact CD1-CD1 3.4Å; L156-L207 HydrophobicContact CD2-CD1 4.36Å; V195-L207 HydrophobicContact CG1-CB 4.16Å; V195-L207 HydrophobicContact CG1-CD2 3.8Å; R196-L207 WeakPolarHBondContact O-CA 3.4Å; F197-L207 HydrophobicContact CD1-CD2 3.67Å; F197-L207 HydrophobicContact CD1-CG 4.46Å; F197-L207 HydrophobicContact CD2-CD2 4.23Å; F197-L207 HydrophobicContact CE1-CD2 3.31Å; F197-L207 HydrophobicContact CE1-CG 4.06Å; F197-L207 HydrophobicContact CE2-CD2 3.89Å; F197-L207 HydrophobicContact CG-CD2 4.1Å; F197-L207 HydrophobicContact CZ-CD2 3.39Å; F197-L207 HydrophobicContact CZ-CG 4.46Å; L207-L311 HydrophobicContact CD1-CD2 3.6Å; L207-L311 HydrophobicContact CG-CD2 4.14Å
208	I	89.8	Confident	70.6	Confident	28 Å²	28	100.8 Å²	100.8	14%	0.144	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.2	-178.4	-53.3	-165.8	0	0	0	110	V140 L141 V195 R196 E198 Y210	V140-I208 WeakPolarHBondContact O-CA 3.17Å; L141-I208 HydrophobicContact CD1-CG1 4.42Å; V195-I208 CarbonylContact C-O 3.58Å; V195-I208 WeakPolarHBondContact CA-O 3.35Å; R196-I208 PolarHBondContact N-O 2.86Å; R196-I208 PolarHBondContact O-N 2.72Å; E198-I208 HydrophobicContact CB-CD1 4.18Å; E198-I208 HydrophobicContact CG-CD1 4.48Å; I208-Y210 HydrophobicContact CB-CE2 3.92Å; I208-Y210 HydrophobicContact CG2-CD2 4.27Å; I208-Y210 HydrophobicContact CG2-CE1 4.44Å; I208-Y210 HydrophobicContact CG2-CE2 3.56Å
209	A	92.1	Very high	68.4	Low	0 Å²	0	103 Å²	103	0%	0	55%	0.547	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	129.8	178.1	0	0	0	0	0	111.7	G139 V140 L142 F158 V193 V195	G139-A209 CarbonylContact C-O 3.36Å; G139-A209 WeakPolarHBondContact CA-O 3.41Å; V140-A209 HydrophobicContact CB-CB 4.47Å; V140-A209 PolarHBondContact N-O 3.05Å; V140-A209 PolarHBondContact O-N 3.18Å; L142-A209 HydrophobicContact CD1-CB 4.13Å; L142-A209 HydrophobicContact CD2-CB 3.83Å; L142-A209 HydrophobicContact CG-CB 4.03Å; F158-A209 HydrophobicContact CD2-CB 3.91Å; F158-A209 HydrophobicContact CE2-CB 3.77Å; V193-A209 HydrophobicContact CB-CB 4.43Å; V193-A209 HydrophobicContact CG2-CB 4.11Å; V195-A209 HydrophobicContact CG2-CB 4.1Å
210	Y	91	Very high	66.2	Low	52 Å²	52	102.7 Å²	102.7	20%	0.204	55%	0.551	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.7	143.3	178.9	-67.8	-85.8	0	0	0	110.3	S194 R196 E198 I208 L212	S194-Y210 PolarHBondContact N-O 3.42Å; S194-Y210 PolarHBondContact O-N 2.92Å; R196-Y210 HydrophobicContact CB-CE2 4.33Å; R196-Y210 HydrophobicContact CG-CD2 4.16Å; R196-Y210 HydrophobicContact CG-CE2 4.24Å; E198-Y210 WeakPolarHBondContact OE1-CE2 3.32Å; E198-Y210 PolarHBondContact OE1-OH 2.9Å; I208-Y210 HydrophobicContact CB-CE2 3.92Å; I208-Y210 HydrophobicContact CG2-CD2 4.27Å; I208-Y210 HydrophobicContact CG2-CE1 4.44Å; I208-Y210 HydrophobicContact CG2-CE2 3.56Å; Y210-L212 PolarHBondContact O-N 3.25Å
211	P	85.4	Confident	64.7	Low	106 Å²	106	106.4 Å²	106.4	69%	0.688	57%	0.569	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-54.3	138.7	167.4	-23	33.3	0	0	0	110.6	K213	P211-K213 PolarHBondContact O-N 3.07Å
212	L	80.3	Confident	62.8	Low	84 Å²	84	100.5 Å²	100.5	44%	0.44	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-67.6	116.7	166.5	-72	174.3	0	0	0	108.1	V192 Y210 G214	V192-L212 HydrophobicContact CB-CD1 3.7Å; V192-L212 HydrophobicContact CG1-CD1 3.79Å; V192-L212 WeakPolarHBondContact O-CD1 3.38Å; Y210-L212 PolarHBondContact O-N 3.25Å; L212-G214 PolarHBondContact O-N 3.08Å
213	K	64.1	Low	60.9	Low	204 Å²	204	99.2 Å²	99.2	89%	0.887	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-66.1	125.3	169	-67.5	-172.6	177	-173.3	0	107.7	P211 D215	P211-K213 PolarHBondContact O-N 3.07Å; K213-D215 PolarHBondContact O-N 3.09Å; K213-D215 VanDerWaalsContact O-N 3.12Å
214	G	49.8	Very low	59.5	Low	87 Å²	87	92.7 Å²	92.7	90%	0.897	52%	0.52	S	S	*	.			trans	-69.3	106.1	179.4	0	0	0	0	0	111	L212	L212-G214 PolarHBondContact O-N 3.08Å
215	D	37.3	Very low	58.1	Low	147 Å²	147	91.6 Å²	91.6	79%	0.786	52%	0.52	S	S	*	.			trans	-145.4	128.6	154.2	-162.3	3.2	0	0	0	108.4	K213 G217	K213-D215 PolarHBondContact O-N 3.09Å; K213-D215 VanDerWaalsContact O-N 3.12Å; D215-G217 PolarHBondContact O-N 3.2Å
216	H	48.5	Very low	56.2	Low	205 Å²	205	94.6 Å²	94.6	95%	0.949	54%	0.536	S	S	*	.			trans	-82	68.4	-179.6	-80.7	-83.9	0	0	0	109.5
217	G	32.1	Very low	54.3	Low	57 Å²	57	97.1 Å²	97.1	59%	0.588	55%	0.553	S	S	*	*			trans	-122.2	102.7	-173.7	0	0	0	0	0	113.9	D215	D215-G217 PolarHBondContact O-N 3.2Å
218	I	34.8	Very low	51.8	Low	161 Å²	161	101.4 Å²	101.4	83%	0.826	57%	0.572	S	S	*	*			trans	54.8	120.4	165.9	-57.8	-174.1	0	0	0	117.2	D220	I218-D220 PolarHBondContact O-N 2.89Å
219	V	36.8	Very low	49	Very low	116 Å²	116	104.5 Å²	104.5	70%	0.703	59%	0.594	S	S	*	*			trans	-90.3	92.1	-175.7	-178.4	0	0	0	0	110.6	I221	V219-I221 VanDerWaalsContact C-N 3.3Å; V219-I221 HydrophobicContact CG1-CB 4.47Å; V219-I221 HydrophobicContact CG1-CD1 3.58Å; V219-I221 HydrophobicContact CG1-CG1 3.54Å; V219-I221 PolarHBondContact O-N 2.92Å; V219-I221 VanDerWaalsContact O-N 3.11Å
220	D	33.5	Very low	46	Very low	131 Å²	131	111.6 Å²	111.6	70%	0.701	63%	0.625	S	S	*	*			trans	-77.3	84.5	157.5	-78.6	-19.4	0	0	0	109	I218 V222	I218-D220 PolarHBondContact O-N 2.89Å; D220-V222 VanDerWaalsContact C-N 3.33Å; D220-V222 HydrophobicContact CB-CG2 4.21Å; D220-V222 PolarHBondContact O-N 3.22Å
221	I	44.1	Very low	43	Very low	138 Å²	138	112.9 Å²	112.9	71%	0.708	64%	0.642	S	S	*	*			trans	-65.4	99.7	158.9	-75.7	147.2	0	0	0	106.4	V219	V219-I221 VanDerWaalsContact C-N 3.3Å; V219-I221 HydrophobicContact CG1-CB 4.47Å; V219-I221 HydrophobicContact CG1-CD1 3.58Å; V219-I221 HydrophobicContact CG1-CG1 3.54Å; V219-I221 PolarHBondContact O-N 2.92Å; V219-I221 VanDerWaalsContact O-N 3.11Å
222	V	39.8	Very low	40.3	Very low	79 Å²	79	117.3 Å²	117.3	48%	0.479	65%	0.651	S	S	.	*			trans	-104.7	119.6	168.3	-174.6	0	0	0	0	107.3	D220 N224	D220-V222 VanDerWaalsContact C-N 3.33Å; D220-V222 HydrophobicContact CB-CG2 4.21Å; D220-V222 PolarHBondContact O-N 3.22Å; V222-N224 PolarHBondContact O-N 2.72Å
223	D	37.3	Very low	37.7	Very low	107 Å²	107	121 Å²	121	57%	0.572	67%	0.67	S	S	*	*			trans	-62.5	124.3	-179.1	-176.1	13	0	0	0	111.4	S225	D223-S225 WeakPolarHBondContact OD1-CB 3.16Å; D223-S225 PolarHBondContact OD1-N 2.9Å; D223-S225 PolarHBondContact OD1-OG 3.04Å; D223-S225 VanDerWaalsContact OD2-CB 3.3Å; D223-S225 WeakPolarHBondContact OD2-CB 3.48Å; D223-S225 PolarHBondContact OD2-OG 3.37Å
224	N	41.7	Very low	35.8	Very low	64 Å²	64	118.9 Å²	118.9	34%	0.342	67%	0.667	S	S	.	*			trans	-91.7	5.3	175.8	-95.5	-11.6	0	0	0	112.4	L167 V222 D226 C227	L167-N224 PolarHBondContact O-ND2 3.12Å; V222-N224 PolarHBondContact O-N 2.72Å; N224-D226 PolarHBondContact O-N 2.85Å; N224-D226 VanDerWaalsContact O-N 3.13Å; N224-C227 PolarHBondContact O-N 2.74Å; N224-C227 PolarHBondContact O-SG 2.96Å; N224-C227 VanDerWaalsContact O-SG 3.41Å
225	S	41.1	Very low	34.5	Very low	71 Å²	71	124.5 Å²	124.5	50%	0.497	66%	0.662	S	S	.	*	G	3₁₀ helix	trans	-57.1	-25.2	-178.2	69.7	0	0	0	0	114.3	D223 C227 E228	D223-S225 WeakPolarHBondContact OD1-CB 3.16Å; D223-S225 PolarHBondContact OD1-N 2.9Å; D223-S225 PolarHBondContact OD1-OG 3.04Å; D223-S225 VanDerWaalsContact OD2-CB 3.3Å; D223-S225 WeakPolarHBondContact OD2-CB 3.48Å; D223-S225 PolarHBondContact OD2-OG 3.37Å; S225-C227 PolarHBondContact O-N 3.32Å; S225-E228 PolarHBondContact O-N 3.46Å
226	D	33.9	Very low	33.8	Very low	112 Å²	112	129.5 Å²	129.5	60%	0.599	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-69.7	10.4	-175.8	-122	4.1	0	0	0	114.6	N224 E228 K230	N224-D226 PolarHBondContact O-N 2.85Å; N224-D226 VanDerWaalsContact O-N 3.13Å; D226-E228 VanDerWaalsContact C-N 3.33Å; D226-K230 VanDerWaalsContact CG-NZ 3.27Å; D226-K230 WeakPolarHBondContact OD1-CE 3.37Å; D226-K230 IonicContact OD1-NZ 3.15Å; D226-K230 PolarHBondContact OD1-NZ 2.96Å; D226-K230 IonicContact OD2-NZ 3.18Å; D226-K230 PolarHBondContact OD2-NZ 3Å; D226-K230 VanDerWaalsContact OD2-NZ 3.15Å
227	C	41.2	Very low	32.6	Very low	83 Å²	83	125.2 Å²	125.2	56%	0.561	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-79.4	-7.4	171.2	-65	0	0	0	0	114.3	N224 S225 R313	N224-C227 PolarHBondContact O-N 2.74Å; N224-C227 PolarHBondContact O-SG 2.96Å; N224-C227 VanDerWaalsContact O-SG 3.41Å; S225-C227 PolarHBondContact O-N 3.32Å; C227-R313 PolarHBondContact O-NH1 3.17Å
228	E	33.8	Very low	32.2	Very low	97 Å²	97	128.7 Å²	128.7	45%	0.453	67%	0.668	S	S	.	*	S	Bend	trans	-87.4	146.4	176.9	-78.5	-164.4	141.9	0	0	114.1	S225 D226 K230 K359	S225-E228 PolarHBondContact O-N 3.46Å; D226-E228 VanDerWaalsContact C-N 3.33Å; E228-K230 PolarHBondContact O-N 3.18Å; E228-K230 VanDerWaalsContact O-N 3.16Å; E228-K359 VanDerWaalsContact OE1-CE 3.25Å; E228-K359 WeakPolarHBondContact OE1-CE 3.4Å; E228-K359 IonicContact OE1-NZ 3.37Å; E228-K359 PolarHBondContact OE1-NZ 3.47Å; E228-K359 WeakPolarHBondContact OE2-CD 3.21Å; E228-K359 WeakPolarHBondContact OE2-CE 3.39Å; E228-K359 IonicContact OE2-NZ 2.69Å; E228-K359 PolarHBondContact OE2-NZ 2.87Å
229	P	31.2	Very low	31.7	Very low	93 Å²	93	128.2 Å²	128.2	60%	0.604	67%	0.667	S	S	*	*			trans	-75.5	108.2	-169.4	30.1	-34.9	0	0	0	112.6	S231	P229-S231 PolarHBondContact O-N 3.14Å
230	K	28.1	Very low	31.1	Very low	149 Å²	149	132.9 Å²	132.9	65%	0.648	68%	0.678	S	S	*	*			trans	-62.8	103.6	164.6	-69.6	169.5	-174.9	162.5	0	109.2	D226 E228 K232	D226-K230 VanDerWaalsContact CG-NZ 3.27Å; D226-K230 WeakPolarHBondContact OD1-CE 3.37Å; D226-K230 IonicContact OD1-NZ 3.15Å; D226-K230 PolarHBondContact OD1-NZ 2.96Å; D226-K230 IonicContact OD2-NZ 3.18Å; D226-K230 PolarHBondContact OD2-NZ 3Å; D226-K230 VanDerWaalsContact OD2-NZ 3.15Å; E228-K230 PolarHBondContact O-N 3.18Å; E228-K230 VanDerWaalsContact O-N 3.16Å; K230-K232 PolarHBondContact O-N 2.93Å
231	S	28.9	Very low	30.8	Very low	80 Å²	80	135.9 Å²	135.9	56%	0.559	68%	0.684	S	S	*	*			trans	-77.9	80.3	-170.2	78.8	0	0	0	0	112.7	P229 L233 E358	P229-S231 PolarHBondContact O-N 3.14Å; S231-L233 PolarHBondContact O-N 3.24Å; S231-E358 WeakPolarHBondContact CB-OE1 3.44Å; S231-E358 PolarHBondContact OG-OE1 3.38Å
232	K	27.8	Very low	29.8	Very low	199 Å²	199	138.3 Å²	138.3	87%	0.865	69%	0.692	S	S	*	*			trans	-76.1	91.8	171.7	-73.8	-170	177.3	-179.6	0	110.8	K230 L234	K230-K232 PolarHBondContact O-N 2.93Å; K232-L234 PolarHBondContact O-N 3.38Å
233	L	25	Very low	28.9	Very low	161 Å²	161	141.7 Å²	141.7	84%	0.843	70%	0.703	S	S	*	*			trans	-57.2	96.6	170.9	179.3	69.6	0	0	0	111.3	S231 R235	S231-L233 PolarHBondContact O-N 3.24Å; L233-R235 PolarHBondContact O-N 2.92Å
234	L	25.4	Very low	28.2	Very low	159 Å²	159	141.5 Å²	141.5	83%	0.832	71%	0.705	S	S	*	*			trans	-91.1	97.6	168.4	-153.2	74.1	0	0	0	110.1	K232 W236	K232-L234 PolarHBondContact O-N 3.38Å; L234-W236 PolarHBondContact O-N 2.88Å
235	R	23.2	Very low	27.3	Very low	206 Å²	206	146.3 Å²	146.3	78%	0.777	73%	0.73	S	S	*	*			trans	-64.8	104.4	178.4	176.5	-175.4	64.3	-158.4	-1.8	111.1	L233 T237	L233-R235 PolarHBondContact O-N 2.92Å; R235-T237 HydrophobicContact CG-CG2 4.28Å; R235-T237 PolarHBondContact O-N 3.19Å
236	W	21.3	Very low	26.4	Very low	252 Å²	252	150.8 Å²	150.8	96%	0.955	74%	0.743	S	S	*	*			trans	-77.4	109.9	166.6	-96.1	-17	0	0	0	111	L234	L234-W236 PolarHBondContact O-N 2.88Å
237	T	23.1	Very low	25.9	Very low	115 Å²	115	151.6 Å²	151.6	71%	0.706	75%	0.752	S	S	*	*			trans	-95.6	143.3	163.7	45.6	0	0	0	0	110.3	R235	R235-T237 HydrophobicContact CG-CG2 4.28Å; R235-T237 PolarHBondContact O-N 3.19Å
238	T	24.2	Very low	25.1	Very low	129 Å²	129	154.3 Å²	154.3	79%	0.791	76%	0.757	S	S	*	*			trans	-80.1	151.1	-172.2	25	0	0	0	0	115.1
239	N	23.6	Very low	24.6	Very low	151 Å²	151	157 Å²	157	81%	0.807	77%	0.767	S	S	*	*			trans	61.2	118.2	155.5	-68.9	-17.8	0	0	0	121.2
240	K	25.2	Very low	24.4	Very low	215 Å²	215	158.6 Å²	158.6	94%	0.935	78%	0.775	S	S	*	*				-170.5	160.2	96.9	-107	177.2	177.4	177.8	0	113.3
241	K	26.5	Very low	24.8	Very low	193 Å²	193	156.3 Å²	156.3	84%	0.839	78%	0.776	S	S	*	*			trans	-89.9	157.2	178.5	-58.2	174.4	178.1	178	0	111.7
242	H	23	Very low	24.6	Very low	189 Å²	189	162 Å²	162	88%	0.875	79%	0.79	S	S	*	*			trans	175.1	155	140.6	-91.3	-76	0	0	0	106.8
243	H	20.6	Very low	24.8	Very low	151 Å²	151	158.5 Å²	158.5	70%	0.699	78%	0.781	S	S	*	*			cis	177.3	114	-28.6	170.7	-88.8	0	0	0	106.8
244	V	22.4	Very low	24.9	Very low	103 Å²	103	163 Å²	163	62%	0.624	79%	0.787	S	S	*	*			trans	51	124.4	149.4	-177.5	0	0	0	0	121
245	L	24.6	Very low	25.5	Very low	164 Å²	164	160.6 Å²	160.6	86%	0.859	78%	0.779	S	S	*	*				-161.6	151	106.6	-159	60.9	0	0	0	112.1
246	E	21.7	Very low	25.9	Very low	166 Å²	166	161.3 Å²	161.3	78%	0.776	78%	0.781	S	S	*	*			trans	-98.9	158.2	-172.7	-55.3	169.8	114	0	0	113.3
247	T	23.1	Very low	26.4	Very low	128 Å²	128	157 Å²	157	79%	0.785	77%	0.772	S	S	*	*				-166.4	120.7	124.8	3.1	0	0	0	0	112.4
248	E	24	Very low	26.7	Very low	141 Å²	141	158 Å²	158	66%	0.659	77%	0.768	S	S	*	*				38.2	143.1	128.6	-59.5	-158.5	146.3	0	0	121.9
249	K	23.7	Very low	27.1	Very low	152 Å²	152	161.6 Å²	161.6	66%	0.661	77%	0.767	S	S	*	*			cis	-167.1	146.9	7.3	-116.9	168	-176.9	145.8	0	112.5
250	T	26.5	Very low	27.4	Very low	128 Å²	128	162.5 Å²	162.5	79%	0.785	76%	0.764	S	S	*	*			trans	65.4	173.9	148.6	77.2	0	0	0	0	120.6
251	P	37.3	Very low	27.9	Very low	101 Å²	101	156.7 Å²	156.7	66%	0.656	74%	0.74	S	S	*	*				-139.4	168	-96.8	39.7	-18.9	0	0	0	116.9
252	K	25.1	Very low	28.5	Very low	200 Å²	200	153.2 Å²	153.2	87%	0.87	73%	0.727	S	S	*	*			trans	179	145.3	131.8	-99	157.4	-175.5	178	0	113.8
253	D	30.7	Very low	28.9	Very low	125 Å²	125	151.2 Å²	151.2	67%	0.668	72%	0.716	S	S	*	*			trans	-95	95.7	-162.1	-60.5	-86.4	0	0	0	114.4
254	W	28.8	Very low	29.6	Very low	254 Å²	254	151 Å²	151	96%	0.962	72%	0.717	S	S	*	*	S	Bend	trans	-138	7.2	166.3	-94	80.9	0	0	0	115.2
255	V	36.5	Very low	30.3	Very low	110 Å²	110	151.5 Å²	151.5	67%	0.667	71%	0.711	S	S	*	*	S	Bend	trans	-122.3	-1.9	-170.7	-173	0	0	0	0	114.3	Q257	V255-Q257 PolarHBondContact O-N 3.14Å
256	R	32.9	Very low	30.9	Very low	220 Å²	220	146.5 Å²	146.5	83%	0.83	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-11.9	-172.5	-90.3	-175.6	176.8	-168	0.6	116.8
257	Q	31.2	Very low	31.5	Very low	161 Å²	161	143.2 Å²	143.2	75%	0.752	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-46.9	179.3	-154.4	154.1	-18	0	0	111.8	V255 R259 K260	V255-Q257 PolarHBondContact O-N 3.14Å; Q257-R259 VanDerWaalsContact C-N 3.29Å; Q257-R259 PolarHBondContact O-N 2.92Å; Q257-K260 PolarHBondContact O-N 3.47Å
258	H	29.1	Very low	32	Very low	137 Å²	137	143.2 Å²	143.2	63%	0.634	66%	0.663	S	S	*	*	H	α-helix	trans	-62	-30.8	-177.1	-132	-76.6	0	0	0	114.2	E262	H258-E262 WeakPolarHBondContact O-CG 3.39Å; H258-E262 PolarHBondContact O-N 3.42Å; H258-E262 VanDerWaalsContact O-N 3.15Å
259	R	32.3	Very low	32.8	Very low	205 Å²	205	140.8 Å²	140.8	77%	0.774	65%	0.654	S	S	*	*	H	α-helix	trans	-79.7	-19.1	-177.4	-146.3	-180	-141.2	-141.1	5.1	114.4	Q257 K263	Q257-R259 VanDerWaalsContact C-N 3.29Å; Q257-R259 PolarHBondContact O-N 2.92Å; R259-K263 PolarHBondContact O-N 3.22Å
260	K	30.3	Very low	33.4	Very low	170 Å²	170	138.9 Å²	138.9	74%	0.739	65%	0.648	S	S	*	*	H	α-helix	trans	-79.9	-40.3	171.5	-96.8	-173.1	173.2	-175.6	0	111	Q257 K263 M264	Q257-K260 PolarHBondContact O-N 3.47Å; K260-K263 PolarHBondContact O-N 3.42Å; K260-M264 VanDerWaalsContact O-CB 3.31Å; K260-M264 WeakPolarHBondContact O-CB 3.38Å; K260-M264 PolarHBondContact O-N 3.1Å
261	E	36.8	Very low	33.9	Very low	92 Å²	92	138.9 Å²	138.9	43%	0.43	64%	0.639	S	S	.	*	H	α-helix	trans	-63.6	-46.7	174.9	-72.6	-169.6	-161.6	0	0	112.6	K263 M264 K265	E261-K263 VanDerWaalsContact C-N 3.33Å; E261-K263 PolarHBondContact O-N 3.02Å; E261-M264 PolarHBondContact O-N 3.2Å; E261-K265 VanDerWaalsContact O-CB 3.23Å; E261-K265 WeakPolarHBondContact O-CB 3.34Å; E261-K265 VanDerWaalsContact O-CG 3.28Å; E261-K265 WeakPolarHBondContact O-CG 3.46Å; E261-K265 PolarHBondContact O-N 3.15Å; E261-K265 IonicContact OE2-NZ 3.95Å; E261-K265 PolarHBondContact OE2-NZ 3.44Å
262	E	37.3	Very low	34	Very low	121 Å²	121	139 Å²	139	57%	0.565	63%	0.63	S	S	*	*	H	α-helix	trans	-55	-46.7	175	-77.7	-81.4	105	0	0	111.9	H258 S266	H258-E262 WeakPolarHBondContact O-CG 3.39Å; H258-E262 PolarHBondContact O-N 3.42Å; H258-E262 VanDerWaalsContact O-N 3.15Å; E262-S266 VanDerWaalsContact O-CB 3.31Å; E262-S266 WeakPolarHBondContact O-CB 3.46Å; E262-S266 PolarHBondContact O-N 3.41Å
263	K	33.2	Very low	34.7	Very low	146 Å²	146	134.8 Å²	134.8	64%	0.635	61%	0.612	S	S	*	*	H	α-helix	trans	-72.4	-32.7	-178	-162.9	173.7	-177.2	-176.1	0	112.8	R259 K260 E261 H267	R259-K263 PolarHBondContact O-N 3.22Å; K260-K263 PolarHBondContact O-N 3.42Å; E261-K263 VanDerWaalsContact C-N 3.33Å; E261-K263 PolarHBondContact O-N 3.02Å; K263-H267 PolarHBondContact O-N 2.82Å
264	M	33.3	Very low	34.9	Very low	148 Å²	148	134 Å²	134	73%	0.729	61%	0.605	S	S	*	*	H	α-helix	trans	-80.6	-30.2	177.3	-151.4	151	86.4	0	0	112.1	K260 E261 K268	K260-M264 VanDerWaalsContact O-CB 3.31Å; K260-M264 WeakPolarHBondContact O-CB 3.38Å; K260-M264 PolarHBondContact O-N 3.1Å; E261-M264 PolarHBondContact O-N 3.2Å; M264-K268 WeakPolarHBondContact O-CB 3.48Å; M264-K268 PolarHBondContact O-N 2.72Å
265	K	38.2	Very low	35.2	Very low	113 Å²	113	130.8 Å²	130.8	49%	0.491	59%	0.592	S	S	.	*	H	α-helix	trans	-67.1	-41.4	166.2	-75.9	168.3	177.7	158.9	0	111.3	E261 K268 L269	E261-K265 VanDerWaalsContact O-CB 3.23Å; E261-K265 WeakPolarHBondContact O-CB 3.34Å; E261-K265 VanDerWaalsContact O-CG 3.28Å; E261-K265 WeakPolarHBondContact O-CG 3.46Å; E261-K265 PolarHBondContact O-N 3.15Å; E261-K265 IonicContact OE2-NZ 3.95Å; E261-K265 PolarHBondContact OE2-NZ 3.44Å; K265-K268 PolarHBondContact O-N 2.92Å; K265-L269 VanDerWaalsContact O-CB 3.3Å; K265-L269 WeakPolarHBondContact O-CB 3.34Å; K265-L269 WeakPolarHBondContact O-CG 3.49Å; K265-L269 PolarHBondContact O-N 2.87Å
266	S	37.6	Very low	35.2	Very low	59 Å²	59	129.1 Å²	129.1	41%	0.413	58%	0.579	S	S	.	*	H	α-helix	trans	-62.9	-47	174.9	-170.4	0	0	0	0	111.9	E262 L269 E270	E262-S266 VanDerWaalsContact O-CB 3.31Å; E262-S266 WeakPolarHBondContact O-CB 3.46Å; E262-S266 PolarHBondContact O-N 3.41Å; S266-L269 PolarHBondContact O-N 3.28Å; S266-E270 WeakPolarHBondContact O-CG 3.35Å; S266-E270 PolarHBondContact O-N 3.32Å
267	H	32.8	Very low	35.5	Very low	97 Å²	97	126 Å²	126	45%	0.449	57%	0.572	S	S	.	*	H	α-helix	trans	-65.5	-40.4	175.3	-103.5	-89	0	0	0	112.5	K263 L269 E270 E271	K263-H267 PolarHBondContact O-N 2.82Å; H267-L269 VanDerWaalsContact C-N 3.34Å; H267-E270 PolarHBondContact O-N 3.37Å; H267-E271 WeakPolarHBondContact O-CB 3.43Å; H267-E271 WeakPolarHBondContact O-CG 3.31Å; H267-E271 PolarHBondContact O-N 3.39Å
268	K	35.4	Very low	35.7	Very low	127 Å²	127	125.8 Å²	125.8	55%	0.552	57%	0.569	S	S	*	*	H	α-helix	trans	-65.1	-38.4	176.2	-173	176.7	178.5	-172.2	0	111.9	M264 K265 E271 E272	M264-K268 WeakPolarHBondContact O-CB 3.48Å; M264-K268 PolarHBondContact O-N 2.72Å; K265-K268 PolarHBondContact O-N 2.92Å; K268-E271 PolarHBondContact O-N 2.88Å; K268-E272 VanDerWaalsContact CE-OE1 3.25Å; K268-E272 WeakPolarHBondContact CE-OE1 3.4Å; K268-E272 VanDerWaalsContact O-CB 3.29Å; K268-E272 WeakPolarHBondContact O-CB 3.41Å; K268-E272 VanDerWaalsContact O-CG 3.32Å; K268-E272 WeakPolarHBondContact O-CG 3.39Å; K268-E272 PolarHBondContact O-N 2.9Å
269	L	39.1	Very low	36.1	Very low	90 Å²	90	121.5 Å²	121.5	47%	0.471	55%	0.554	S	S	.	*	H	α-helix	trans	-64.1	-42.7	170.1	-82.7	162.8	0	0	0	111.2	K265 S266 H267 E272 F273	K265-L269 VanDerWaalsContact O-CB 3.3Å; K265-L269 WeakPolarHBondContact O-CB 3.34Å; K265-L269 WeakPolarHBondContact O-CG 3.49Å; K265-L269 PolarHBondContact O-N 2.87Å; S266-L269 PolarHBondContact O-N 3.28Å; H267-L269 VanDerWaalsContact C-N 3.34Å; L269-E272 PolarHBondContact O-N 3.31Å; L269-F273 HydrophobicContact CD2-CE2 4.24Å; L269-F273 WeakPolarHBondContact O-CB 3.45Å; L269-F273 WeakPolarHBondContact O-CD2 3.18Å; L269-F273 WeakPolarHBondContact O-CG 3.41Å; L269-F273 PolarHBondContact O-N 2.91Å
270	E	36.7	Very low	37	Very low	113 Å²	113	118.4 Å²	118.4	53%	0.528	55%	0.548	S	S	.	.	H	α-helix	trans	-65.1	-38	176.9	-76.1	178.6	126.1	0	0	112.6	S266 H267 F273 E274	S266-E270 WeakPolarHBondContact O-CG 3.35Å; S266-E270 PolarHBondContact O-N 3.32Å; H267-E270 PolarHBondContact O-N 3.37Å; E270-F273 CarbonylContact O-C 3.53Å; E270-F273 PolarHBondContact O-N 3.1Å; E270-E274 WeakPolarHBondContact O-CG 3.42Å; E270-E274 PolarHBondContact O-N 2.85Å
271	E	36.5	Very low	38.3	Very low	127 Å²	127	111.8 Å²	111.8	59%	0.593	52%	0.522	S	S	*	.	H	α-helix	trans	-71	-42	174.2	-73.5	175.5	174.7	0	0	112.5	H267 K268 F273 E274 W275	H267-E271 WeakPolarHBondContact O-CB 3.43Å; H267-E271 WeakPolarHBondContact O-CG 3.31Å; H267-E271 PolarHBondContact O-N 3.39Å; K268-E271 PolarHBondContact O-N 2.88Å; E271-F273 VanDerWaalsContact C-N 3.28Å; E271-F273 PolarHBondContact O-N 2.75Å; E271-E274 PolarHBondContact O-N 3.34Å; E271-E274 VanDerWaalsContact O-N 3.16Å; E271-W275 PolarHBondContact O-N 3.29Å
272	E	40.5	Very low	39.4	Very low	103 Å²	103	109.1 Å²	109.1	48%	0.481	51%	0.51	S	S	.	.	H	α-helix	trans	-60.8	-37	169.4	-78.1	175	-178.5	0	0	111.1	K268 L269 W275 L276	K268-E272 VanDerWaalsContact CE-OE1 3.25Å; K268-E272 WeakPolarHBondContact CE-OE1 3.4Å; K268-E272 VanDerWaalsContact O-CB 3.29Å; K268-E272 WeakPolarHBondContact O-CB 3.41Å; K268-E272 VanDerWaalsContact O-CG 3.32Å; K268-E272 WeakPolarHBondContact O-CG 3.39Å; K268-E272 PolarHBondContact O-N 2.9Å; L269-E272 PolarHBondContact O-N 3.31Å; E272-W275 PolarHBondContact O-N 2.69Å; E272-L276 WeakPolarHBondContact O-CB 3.36Å; E272-L276 PolarHBondContact O-N 2.86Å
273	F	40	Very low	40.4	Very low	113 Å²	113	109 Å²	109	50%	0.496	51%	0.506	S	S	.	.	H	α-helix	trans	-72	-26	174.3	-91.6	-120.4	0	0	0	113.3	L269 E270 E271 K277	L269-F273 HydrophobicContact CD2-CE2 4.24Å; L269-F273 WeakPolarHBondContact O-CB 3.45Å; L269-F273 WeakPolarHBondContact O-CD2 3.18Å; L269-F273 WeakPolarHBondContact O-CG 3.41Å; L269-F273 PolarHBondContact O-N 2.91Å; E270-F273 CarbonylContact O-C 3.53Å; E270-F273 PolarHBondContact O-N 3.1Å; E271-F273 VanDerWaalsContact C-N 3.28Å; E271-F273 PolarHBondContact O-N 2.75Å; F273-K277 WeakPolarHBondContact O-CG 3.2Å; F273-K277 PolarHBondContact O-N 3.14Å
274	E	34.3	Very low	41.6	Very low	109 Å²	109	106 Å²	106	51%	0.509	49%	0.491	S	S	.	.	H	α-helix	trans	-75.7	-34.1	168.2	-73.4	-148.5	141.2	0	0	112.2	E270 E271 K277 K278	E270-E274 WeakPolarHBondContact O-CG 3.42Å; E270-E274 PolarHBondContact O-N 2.85Å; E271-E274 PolarHBondContact O-N 3.34Å; E271-E274 VanDerWaalsContact O-N 3.16Å; E274-K277 WeakPolarHBondContact O-CB 3.42Å; E274-K277 PolarHBondContact O-N 3.18Å; E274-K278 WeakPolarHBondContact O-CG 3.49Å; E274-K278 PolarHBondContact O-N 3.03Å
275	W	34.7	Very low	43.1	Very low	185 Å²	185	103.1 Å²	103.1	70%	0.701	48%	0.482	S	S	*	.	H	α-helix	trans	-66.7	-40.8	171.7	-146.1	87.2	0	0	0	111.4	E271 E272 K277 K278 S279	E271-W275 PolarHBondContact O-N 3.29Å; E272-W275 PolarHBondContact O-N 2.69Å; W275-K277 PolarHBondContact O-N 3.32Å; W275-K278 WeakPolarHBondContact O-CA 3.31Å; W275-K278 PolarHBondContact O-N 3.09Å; W275-S279 PolarHBondContact O-N 3.49Å
276	L	38	Very low	43.9	Very low	75 Å²	75	100 Å²	100	39%	0.393	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-17.4	173.3	-160.7	73.7	0	0	0	113.6	E272 L282	E272-L276 WeakPolarHBondContact O-CB 3.36Å; E272-L276 PolarHBondContact O-N 2.86Å; L276-L282 HydrophobicContact CD1-CD1 4.16Å; L276-L282 HydrophobicContact CD1-CD2 3.68Å; L276-L282 HydrophobicContact CG-CD2 4.35Å
277	K	39.2	Very low	44.7	Very low	155 Å²	155	102.7 Å²	102.7	67%	0.674	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-14.2	169.2	-71	168.7	-168	162.1	0	113.4	F273 E274 W275	F273-K277 WeakPolarHBondContact O-CG 3.2Å; F273-K277 PolarHBondContact O-N 3.14Å; E274-K277 WeakPolarHBondContact O-CB 3.42Å; E274-K277 PolarHBondContact O-N 3.18Å; W275-K277 PolarHBondContact O-N 3.32Å
278	K	35.5	Very low	45.1	Very low	157 Å²	157	107.9 Å²	107.9	68%	0.683	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-15.3	-173.8	-79.5	176.1	177.2	169.6	0	114.5	E274 W275	E274-K278 WeakPolarHBondContact O-CG 3.49Å; E274-K278 PolarHBondContact O-N 3.03Å; W275-K278 WeakPolarHBondContact O-CA 3.31Å; W275-K278 PolarHBondContact O-N 3.09Å
279	S	36.4	Very low	45.3	Very low	47 Å²	47	112.2 Å²	112.2	33%	0.329	52%	0.518	S	S	.	.			trans	-90.8	110.7	164	-62.5	0	0	0	0	109.5	W275 V281	W275-S279 PolarHBondContact O-N 3.49Å; S279-V281 PolarHBondContact O-N 2.79Å
280	E	52.3	Low	45	Very low	140 Å²	140	111.3 Å²	111.3	65%	0.654	53%	0.53	S	S	*	.	S	Bend	trans	-70	-15.5	-174.2	-57.9	-161	125.3	0	0	113.9	H399	E280-H399 PolarHBondContact O-ND1 3.29Å; E280-H399 VanDerWaalsContact O-ND1 3.16Å
281	V	56.7	Low	44.8	Very low	31 Å²	31	113.7 Å²	113.7	19%	0.188	55%	0.547	C	S	.	.	S	Bend	trans	-133.1	134.7	172.6	177.9	0	0	0	0	107.6	S279 Y283 M393	S279-V281 PolarHBondContact O-N 2.79Å; V281-Y283 HydrophobicContact CB-CE2 4.15Å; V281-Y283 HydrophobicContact CG1-CD2 4.43Å; V281-Y283 HydrophobicContact CG1-CE2 3.77Å; V281-M393 HydrophobicContact CG1-CG 3.24Å; V281-M393 HydrophobicContact CG1-SD 3.98Å
282	L	60	Low	44.7	Very low	35 Å²	35	114.5 Å²	114.5	18%	0.183	55%	0.554	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.1	140.4	179.8	-59.2	176.2	0	0	0	111.1	L276 Y284 P301 M393 F394	L276-L282 HydrophobicContact CD1-CD1 4.16Å; L276-L282 HydrophobicContact CD1-CD2 3.68Å; L276-L282 HydrophobicContact CG-CD2 4.35Å; L282-Y284 HydrophobicContact CB-CE2 3.76Å; L282-Y284 HydrophobicContact CD1-CE2 4.4Å; L282-P301 HydrophobicContact CD1-CG 4.49Å; L282-M393 CarbonylContact O-C 3.55Å; L282-M393 WeakPolarHBondContact O-CA 3.39Å; L282-F394 HydrophobicContact CB-CB 4.46Å; L282-F394 PolarHBondContact N-O 2.8Å; L282-F394 PolarHBondContact O-N 3.08Å
283	Y	58.2	Low	44.3	Very low	119 Å²	119	115.6 Å²	115.6	47%	0.467	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.9	135.3	179.8	-65.9	-93.1	0	0	0	111.1	V281 Q386 L392 M393	V281-Y283 HydrophobicContact CB-CE2 4.15Å; V281-Y283 HydrophobicContact CG1-CD2 4.43Å; V281-Y283 HydrophobicContact CG1-CE2 3.77Å; Y283-Q386 HydrophobicContact CE1-CG 4.28Å; Y283-L392 CarbonylContact C-O 3.49Å; Y283-L392 VanDerWaalsContact CA-O 3.31Å; Y283-L392 WeakPolarHBondContact CA-O 3.38Å; Y283-M393 HydrophobicContact CD1-CB 4.17Å; Y283-M393 HydrophobicContact CD1-CG 4.33Å; Y283-M393 HydrophobicContact CE1-CB 3.94Å; Y283-M393 HydrophobicContact CE1-CG 3.76Å; Y283-M393 HydrophobicContact CE1-SD 4.18Å
284	Y	58.2	Low	44	Very low	83 Å²	83	114.7 Å²	114.7	33%	0.325	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.6	124.5	-179.6	-70.4	-87.6	0	0	0	111.9	L282 P301 Q391 L392 F394	L282-Y284 HydrophobicContact CB-CE2 3.76Å; L282-Y284 HydrophobicContact CD1-CE2 4.4Å; Y284-P301 HydrophobicContact CE1-CG 4.17Å; Y284-P301 HydrophobicContact CE2-CG 3.7Å; Y284-P301 WeakPolarHBondContact OH-CG 3.21Å; Y284-Q391 CarbonylContact O-C 3.6Å; Y284-Q391 WeakPolarHBondContact O-CA 3.36Å; Y284-Q391 WeakPolarHBondContact O-CB 3.31Å; Y284-L392 PolarHBondContact N-O 2.91Å; Y284-L392 PolarHBondContact O-N 3.33Å; Y284-F394 AromaticContact CD2-CD2 3.57Å; Y284-F394 HydrophobicContact CD2-CD2 3.57Å; Y284-F394 AromaticContact CD2-CE2 3.46Å; Y284-F394 HydrophobicContact CD2-CE2 3.46Å; Y284-F394 VanDerWaalsContact CD2-CE2 3.46Å; Y284-F394 HydrophobicContact CE2-CD2 4.02Å; Y284-F394 HydrophobicContact CE2-CE2 4.21Å; Y284-F394 HydrophobicContact CG-CE2 4.22Å
285	T	64.6	Low	44.1	Very low	87 Å²	87	117 Å²	117	53%	0.534	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-71.5	133.7	-179.6	-52.4	0	0	0	0	112.8	E287 Q391	T285-E287 PolarHBondContact O-N 3.5Å; T285-Q391 PolarHBondContact OG1-NE2 2.95Å; T285-Q391 VanDerWaalsContact OG1-NE2 3.17Å
286	V	56.1	Low	44.2	Very low	48 Å²	48	113.4 Å²	113.4	29%	0.291	59%	0.585	S	S	.	*			trans	-86.4	105.1	169.5	-177.3	0	0	0	0	108.4	Y385 G390 L392	V286-Y385 HydrophobicContact CG2-CD2 4.36Å; V286-Y385 HydrophobicContact CG2-CE2 3.93Å; V286-G390 WeakPolarHBondContact CB-O 3.34Å; V286-G390 WeakPolarHBondContact CG2-O 3.35Å; V286-G390 PolarHBondContact N-O 3.4Å; V286-L392 HydrophobicContact CG2-CG 4.35Å
287	E	52.6	Low	44.6	Very low	115 Å²	115	115 Å²	115	54%	0.537	59%	0.589	S	S	.	*			trans	-66.5	133.5	177.6	-65	-173.7	160.9	0	0	111.2	T285	T285-E287 PolarHBondContact O-N 3.5Å
288	K	42.5	Very low	45.3	Very low	206 Å²	206	112.4 Å²	112.4	90%	0.896	58%	0.579	S	S	*	*			trans	-73.8	128.2	174.3	-68.3	-179.5	179.5	177.9	0	108.9	G290	K288-G290 PolarHBondContact O-N 2.84Å
289	K	39.4	Very low	46.4	Very low	219 Å²	219	107.4 Å²	107.4	95%	0.952	56%	0.556	S	S	*	*			trans	-50.8	97.8	-178.9	-72.9	179.7	176.5	174.4	0	112.7
290	G	32.9	Very low	47.7	Very low	70 Å²	70	105.6 Å²	105.6	72%	0.722	54%	0.543	S	S	*	.			trans	-92.9	149	155.6	0	0	0	0	0	109.4	K288	K288-G290 PolarHBondContact O-N 2.84Å
291	N	32.4	Very low	48.2	Very low	164 Å²	164	100.9 Å²	100.9	88%	0.877	52%	0.524	S	S	*	.	S	Bend	trans	-77	158.9	-167.5	-148	-4.9	0	0	0	113.1
292	I	33.5	Very low	48.4	Very low	143 Å²	143	101.5 Å²	101.5	73%	0.733	52%	0.523	S	S	*	.	S	Bend	trans	84.2	96.3	172.1	-48.7	167.5	0	0	0	117	S294	I292-S294 PolarHBondContact O-N 3.41Å
293	S	32.8	Very low	48.5	Very low	127 Å²	127	99.9 Å²	99.9	89%	0.888	52%	0.515	S	S	*	.	S	Bend	trans	57.2	39.9	140.1	-160.7	0	0	0	0	120.6
294	S	33.2	Very low	48.8	Very low	94 Å²	94	96.1 Å²	96.1	66%	0.657	50%	0.502	S	S	*	.			trans	-123.2	110.4	159.4	52.6	0	0	0	0	111.5	I292 L296	I292-S294 PolarHBondContact O-N 3.41Å; S294-L296 PolarHBondContact O-N 3.4Å
295	Q	36.1	Very low	49.2	Very low	157 Å²	157	96.4 Å²	96.4	73%	0.734	51%	0.505	S	S	*	.			trans	-73.6	65.9	167.3	-66.2	-177.4	-0.2	0	0	109.8	K297	Q295-K297 HydrophobicContact CB-CD 4.21Å; Q295-K297 HydrophobicContact CB-CG 4.34Å; Q295-K297 WeakPolarHBondContact O-CD 3.3Å; Q295-K297 WeakPolarHBondContact O-CG 3.37Å; Q295-K297 PolarHBondContact O-N 3.08Å; Q295-K297 VanDerWaalsContact OE1-CE 3.23Å
296	L	37.3	Very low	49.1	Very low	110 Å²	110	92.8 Å²	92.8	58%	0.576	48%	0.483	S	S	*	.			trans	-76.8	76.8	173.9	-142.6	77	0	0	0	109.5	S294 H298	S294-L296 PolarHBondContact O-N 3.4Å; L296-H298 PolarHBondContact O-N 3.09Å
297	K	46.3	Very low	49.6	Very low	109 Å²	109	91.3 Å²	91.3	47%	0.474	47%	0.473	S	S	.	.			trans	-59.5	117.8	-170.8	-72.3	135.1	154.5	-173.6	0	111.6	Q295 Y299	Q295-K297 HydrophobicContact CB-CD 4.21Å; Q295-K297 HydrophobicContact CB-CG 4.34Å; Q295-K297 WeakPolarHBondContact O-CD 3.3Å; Q295-K297 WeakPolarHBondContact O-CG 3.37Å; Q295-K297 PolarHBondContact O-N 3.08Å; Q295-K297 VanDerWaalsContact OE1-CE 3.23Å; K297-Y299 HydrophobicContact CB-CD1 4.39Å; K297-Y299 HydrophobicContact CB-CD2 3.53Å; K297-Y299 HydrophobicContact CB-CE1 4.08Å; K297-Y299 HydrophobicContact CB-CE2 3.18Å; K297-Y299 HydrophobicContact CB-CG 4.14Å; K297-Y299 VanDerWaalsContact CB-CZ 3.47Å; K297-Y299 HydrophobicContact CD-CE2 3.69Å; K297-Y299 VanDerWaalsContact CD-OH 3.23Å; K297-Y299 WeakPolarHBondContact CD-OH 3.44Å; K297-Y299 WeakPolarHBondContact CE-OH 3.23Å; K297-Y299 HydrophobicContact CG-CE2 3.85Å; K297-Y299 PolarHBondContact O-N 2.75Å
298	H	53.3	Low	50.3	Low	99 Å²	99	91.4 Å²	91.4	46%	0.458	47%	0.474	S	S	.	.			trans	-69.4	75.5	173.6	-50.7	-62	0	0	0	111.3	L296	L296-H298 PolarHBondContact O-N 3.09Å
299	Y	60	Low	51.5	Low	52 Å²	52	86.5 Å²	86.5	20%	0.204	45%	0.454	C	S	.	.			trans	-90.1	135.5	-179.5	-69	-58.2	0	0	0	112.2	V146 K297 P301 M304	V146-Y299 HydrophobicContact CB-CD1 4.13Å; V146-Y299 HydrophobicContact CG1-CD1 3.6Å; V146-Y299 HydrophobicContact CG1-CE1 3.51Å; K297-Y299 HydrophobicContact CB-CD1 4.39Å; K297-Y299 HydrophobicContact CB-CD2 3.53Å; K297-Y299 HydrophobicContact CB-CE1 4.08Å; K297-Y299 HydrophobicContact CB-CE2 3.18Å; K297-Y299 HydrophobicContact CB-CG 4.14Å; K297-Y299 VanDerWaalsContact CB-CZ 3.47Å; K297-Y299 HydrophobicContact CD-CE2 3.69Å; K297-Y299 VanDerWaalsContact CD-OH 3.23Å; K297-Y299 WeakPolarHBondContact CD-OH 3.44Å; K297-Y299 WeakPolarHBondContact CE-OH 3.23Å; K297-Y299 HydrophobicContact CG-CE2 3.85Å; K297-Y299 PolarHBondContact O-N 2.75Å; Y299-P301 WeakPolarHBondContact O-CD 3.46Å; Y299-M304 HydrophobicContact CD1-CG 3.79Å; Y299-M304 HydrophobicContact CD1-SD 3.56Å; Y299-M304 VanDerWaalsContact CD1-SD 3.56Å; Y299-M304 HydrophobicContact CD2-CE 4.25Å; Y299-M304 HydrophobicContact CD2-CG 3.8Å; Y299-M304 HydrophobicContact CD2-SD 3.9Å; Y299-M304 HydrophobicContact CE1-CE 4.5Å; Y299-M304 HydrophobicContact CE1-CG 4.34Å; Y299-M304 HydrophobicContact CE1-SD 3.5Å; Y299-M304 VanDerWaalsContact CE1-SD 3.5Å; Y299-M304 HydrophobicContact CE2-CE 3.89Å; Y299-M304 HydrophobicContact CE2-CG 4.33Å; Y299-M304 HydrophobicContact CE2-SD 3.82Å; Y299-M304 HydrophobicContact CG-CG 3.49Å; Y299-M304 VanDerWaalsContact CG-CG 3.49Å; Y299-M304 HydrophobicContact CG-SD 3.77Å
300	N	62.2	Low	52.7	Low	10 Å²	10	77.5 Å²	77.5	5%	0.053	42%	0.415	C	S	.	.			trans	-60.7	119.2	152.1	-175.9	-23.5	0	0	0	108.4	Q148 W302 S303 M304 F394	Q148-N300 PolarHBondContact O-ND2 3.16Å; N300-W302 PolarHBondContact O-N 2.82Å; N300-W302 VanDerWaalsContact O-N 3.15Å; N300-W302 VanDerWaalsContact OD1-CB 3.23Å; N300-W302 WeakPolarHBondContact OD1-CB 3.41Å; N300-W302 PolarHBondContact OD1-N 2.9Å; N300-S303 WeakPolarHBondContact O-CB 3.23Å; N300-S303 PolarHBondContact O-N 3.38Å; N300-M304 PolarHBondContact O-N 3.11Å; N300-F394 HydrophobicContact CB-CD1 4.16Å; N300-F394 HydrophobicContact CB-CE1 3.57Å; N300-F394 HydrophobicContact CB-CZ 4.21Å; N300-F394 WeakPolarHBondContact ND2-CD1 3.38Å
301	P	64.2	Low	54.4	Low	40 Å²	40	76.4 Å²	76.4	26%	0.26	39%	0.392	S	S	.	.	H	α-helix	trans	-59.8	-29.5	-179.5	-17.2	26.2	0	0	0	112.5	L282 Y284 Y299 K305	L282-P301 HydrophobicContact CD1-CG 4.49Å; Y284-P301 HydrophobicContact CE1-CG 4.17Å; Y284-P301 HydrophobicContact CE2-CG 3.7Å; Y284-P301 WeakPolarHBondContact OH-CG 3.21Å; Y299-P301 WeakPolarHBondContact O-CD 3.46Å; P301-K305 WeakPolarHBondContact O-CB 3.22Å; P301-K305 PolarHBondContact O-N 3.34Å
302	W	60.7	Low	56.1	Low	44 Å²	44	73 Å²	73	17%	0.167	37%	0.372	C	S	.	.	H	α-helix	trans	-69.1	-39.1	176.1	-167.6	-90.5	0	0	0	112	N300 K305 C306 Y398	N300-W302 PolarHBondContact O-N 2.82Å; N300-W302 VanDerWaalsContact O-N 3.15Å; N300-W302 VanDerWaalsContact OD1-CB 3.23Å; N300-W302 WeakPolarHBondContact OD1-CB 3.41Å; N300-W302 PolarHBondContact OD1-N 2.9Å; W302-K305 HydrophobicContact CZ3-CD 4.26Å; W302-K305 PolarHBondContact O-N 2.89Å; W302-C306 PolarHBondContact NE1-SG 2.83Å; W302-C306 WeakPolarHBondContact O-CB 3.22Å; W302-C306 PolarHBondContact O-N 3.26Å; W302-Y398 HydrophobicContact CH2-CD2 4.22Å; W302-Y398 AromaticContact CH2-CE2 3.34Å; W302-Y398 HydrophobicContact CH2-CE2 3.34Å; W302-Y398 AromaticContact CH2-CZ 3.98Å; W302-Y398 AromaticContact CZ2-CE2 3.73Å; W302-Y398 HydrophobicContact CZ2-CE2 3.73Å; W302-Y398 HydrophobicContact CZ3-CD2 4.42Å; W302-Y398 AromaticContact CZ3-CE2 3.95Å; W302-Y398 HydrophobicContact CZ3-CE2 3.95Å
303	S	61.9	Low	57.8	Low	2 Å²	2	71.9 Å²	71.9	1%	0.014	36%	0.358	C	S	.	.	H	α-helix	trans	-59.1	-51.2	173.3	179.3	0	0	0	0	110.3	F145 N300 K305 C306 H307	F145-S303 PolarHBondContact O-OG 2.94Å; N300-S303 WeakPolarHBondContact O-CB 3.23Å; N300-S303 PolarHBondContact O-N 3.38Å; S303-K305 VanDerWaalsContact C-N 3.32Å; S303-K305 PolarHBondContact O-N 3.41Å; S303-C306 PolarHBondContact O-N 3.18Å; S303-C306 VanDerWaalsContact O-N 3.17Å; S303-H307 VanDerWaalsContact O-CB 3.26Å; S303-H307 WeakPolarHBondContact O-CB 3.5Å; S303-H307 PolarHBondContact O-N 3.03Å
304	M	64	Low	59.4	Low	40 Å²	40	66.9 Å²	66.9	20%	0.197	32%	0.321	C	S	.	.	H	α-helix	trans	-59.5	-41.1	179.4	-72.3	-60.6	-70.6	0	0	112.7	P144 Y299 N300 H307 Q308	P144-M304 HydrophobicContact CB-SD 4.43Å; Y299-M304 HydrophobicContact CD1-CG 3.79Å; Y299-M304 HydrophobicContact CD1-SD 3.56Å; Y299-M304 VanDerWaalsContact CD1-SD 3.56Å; Y299-M304 HydrophobicContact CD2-CE 4.25Å; Y299-M304 HydrophobicContact CD2-CG 3.8Å; Y299-M304 HydrophobicContact CD2-SD 3.9Å; Y299-M304 HydrophobicContact CE1-CE 4.5Å; Y299-M304 HydrophobicContact CE1-CG 4.34Å; Y299-M304 HydrophobicContact CE1-SD 3.5Å; Y299-M304 VanDerWaalsContact CE1-SD 3.5Å; Y299-M304 HydrophobicContact CE2-CE 3.89Å; Y299-M304 HydrophobicContact CE2-CG 4.33Å; Y299-M304 HydrophobicContact CE2-SD 3.82Å; Y299-M304 HydrophobicContact CG-CG 3.49Å; Y299-M304 VanDerWaalsContact CG-CG 3.49Å; Y299-M304 HydrophobicContact CG-SD 3.77Å; N300-M304 PolarHBondContact O-N 3.11Å; M304-H307 PolarHBondContact O-N 3.3Å; M304-Q308 WeakPolarHBondContact O-CB 3.45Å; M304-Q308 VanDerWaalsContact O-CG 3.23Å; M304-Q308 WeakPolarHBondContact O-CG 3.47Å; M304-Q308 PolarHBondContact O-N 3.04Å
305	K	67.5	Low	61.1	Low	89 Å²	89	66.9 Å²	66.9	39%	0.387	31%	0.309	S	S	.	.	H	α-helix	trans	-64.3	-45.1	175.4	-177	174.2	-178	170.7	0	112.7	P301 W302 S303 Q309	P301-K305 WeakPolarHBondContact O-CB 3.22Å; P301-K305 PolarHBondContact O-N 3.34Å; W302-K305 HydrophobicContact CZ3-CD 4.26Å; W302-K305 PolarHBondContact O-N 2.89Å; S303-K305 VanDerWaalsContact C-N 3.32Å; S303-K305 PolarHBondContact O-N 3.41Å; K305-Q309 WeakPolarHBondContact O-CB 3.35Å; K305-Q309 VanDerWaalsContact O-CG 3.28Å; K305-Q309 WeakPolarHBondContact O-CG 3.47Å; K305-Q309 PolarHBondContact O-N 2.79Å
306	C	62.3	Low	62.6	Low	10 Å²	10	64.3 Å²	64.3	7%	0.068	30%	0.297	C	S	.	.	H	α-helix	trans	-63.8	-44.6	176.6	-88.6	0	0	0	0	111.6	W302 S303 Q309 Q310	W302-C306 PolarHBondContact NE1-SG 2.83Å; W302-C306 WeakPolarHBondContact O-CB 3.22Å; W302-C306 PolarHBondContact O-N 3.26Å; S303-C306 PolarHBondContact O-N 3.18Å; S303-C306 VanDerWaalsContact O-N 3.17Å; C306-Q309 PolarHBondContact O-N 3.2Å; C306-Q310 WeakPolarHBondContact O-CB 3.43Å; C306-Q310 PolarHBondContact O-N 2.97Å
307	H	65.8	Low	63.8	Low	18 Å²	18	63.5 Å²	63.5	8%	0.083	29%	0.293	C	S	.	.	H	α-helix	trans	-58.6	-52.1	175.9	178.1	83.7	0	0	0	111.7	C154 S303 M304 Q309 Q310 L311	C154-H307 PolarHBondContact SG-ND1 3.32Å; S303-H307 VanDerWaalsContact O-CB 3.26Å; S303-H307 WeakPolarHBondContact O-CB 3.5Å; S303-H307 PolarHBondContact O-N 3.03Å; M304-H307 PolarHBondContact O-N 3.3Å; H307-Q309 PolarHBondContact O-N 3Å; H307-Q310 PolarHBondContact O-N 3.13Å; H307-L311 WeakPolarHBondContact NE2-CD1 3.3Å; H307-L311 WeakPolarHBondContact O-CG 3.48Å; H307-L311 PolarHBondContact O-N 3.07Å
308	Q	67.1	Low	64.5	Low	117 Å²	117	59.5 Å²	59.5	55%	0.547	28%	0.28	S	S	.	.	H	α-helix	trans	-59.3	-47.3	177	-75.5	172	-10.5	0	0	112.7	M304 Q310 L311 Q312	M304-Q308 WeakPolarHBondContact O-CB 3.45Å; M304-Q308 VanDerWaalsContact O-CG 3.23Å; M304-Q308 WeakPolarHBondContact O-CG 3.47Å; M304-Q308 PolarHBondContact O-N 3.04Å; Q308-Q310 VanDerWaalsContact C-N 3.25Å; Q308-Q310 PolarHBondContact O-N 3.29Å; Q308-L311 PolarHBondContact O-N 2.65Å; Q308-Q312 WeakPolarHBondContact O-CB 3.49Å; Q308-Q312 PolarHBondContact O-N 3.34Å
309	Q	67.9	Low	64.8	Low	102 Å²	102	63.2 Å²	63.2	48%	0.477	30%	0.295	S	S	.	.	H	α-helix	trans	-61.3	-35.9	178.6	-76	-176	-6.3	0	0	112.2	K305 C306 H307 R313	K305-Q309 WeakPolarHBondContact O-CB 3.35Å; K305-Q309 VanDerWaalsContact O-CG 3.28Å; K305-Q309 WeakPolarHBondContact O-CG 3.47Å; K305-Q309 PolarHBondContact O-N 2.79Å; C306-Q309 PolarHBondContact O-N 3.2Å; H307-Q309 PolarHBondContact O-N 3Å; Q309-R313 WeakPolarHBondContact O-CG 3.48Å; Q309-R313 PolarHBondContact O-N 2.71Å
310	Q	65.6	Low	64.7	Low	31 Å²	31	69.1 Å²	69.1	15%	0.145	32%	0.324	C	S	.	.	H	α-helix	trans	-79.2	-39.8	178.9	-176.4	154.9	-12.2	0	0	112.9	H152 S153 C154 C306 H307 Q308 Q312 R313 M314	H152-Q310 PolarHBondContact O-OE1 3.38Å; S153-Q310 VanDerWaalsContact CA-OE1 3.26Å; C154-Q310 HydrophobicContact CB-CB 4Å; C154-Q310 VanDerWaalsContact CB-CD 3.47Å; C154-Q310 HydrophobicContact CB-CG 3.9Å; C306-Q310 WeakPolarHBondContact O-CB 3.43Å; C306-Q310 PolarHBondContact O-N 2.97Å; H307-Q310 PolarHBondContact O-N 3.13Å; Q308-Q310 VanDerWaalsContact C-N 3.25Å; Q308-Q310 PolarHBondContact O-N 3.29Å; Q310-Q312 VanDerWaalsContact C-N 3.26Å; Q310-Q312 PolarHBondContact O-N 3.07Å; Q310-R313 PolarHBondContact O-N 3.46Å; Q310-M314 HydrophobicContact CG-CE 3.81Å; Q310-M314 HydrophobicContact CG-CG 4.36Å; Q310-M314 VanDerWaalsContact NE2-CE 3.26Å; Q310-M314 WeakPolarHBondContact O-CG 3.41Å; Q310-M314 PolarHBondContact O-N 3.48Å
311	L	67.4	Low	64.9	Low	46 Å²	46	74.3 Å²	74.3	24%	0.241	34%	0.343	C	S	.	.	H	α-helix	trans	-56.3	-43.5	170.3	-77.6	-173.4	0	0	0	111.1	F197 L207 H307 Q308 M314 K315	F197-L311 HydrophobicContact CE1-CD2 4.45Å; L207-L311 HydrophobicContact CD1-CD2 3.6Å; L207-L311 HydrophobicContact CG-CD2 4.14Å; H307-L311 WeakPolarHBondContact NE2-CD1 3.3Å; H307-L311 WeakPolarHBondContact O-CG 3.48Å; H307-L311 PolarHBondContact O-N 3.07Å; Q308-L311 PolarHBondContact O-N 2.65Å; L311-M314 PolarHBondContact O-N 3.06Å; L311-K315 VanDerWaalsContact O-CB 3.26Å; L311-K315 WeakPolarHBondContact O-CB 3.3Å; L311-K315 PolarHBondContact O-N 3.25Å
312	Q	69.1	Low	65.4	Low	94 Å²	94	76 Å²	76	44%	0.439	35%	0.35	S	S	.	.	H	α-helix	trans	-63	-44.5	177.9	-176.2	59.6	26.4	0	0	112.2	Q308 Q310 K315 E316	Q308-Q312 WeakPolarHBondContact O-CB 3.49Å; Q308-Q312 PolarHBondContact O-N 3.34Å; Q310-Q312 VanDerWaalsContact C-N 3.26Å; Q310-Q312 PolarHBondContact O-N 3.07Å; Q312-K315 WeakPolarHBondContact O-CB 3.42Å; Q312-K315 PolarHBondContact O-N 2.67Å; Q312-E316 WeakPolarHBondContact CG-OE1 3.45Å; Q312-E316 PolarHBondContact NE2-OE1 3.03Å; Q312-E316 WeakPolarHBondContact O-CG 3.47Å; Q312-E316 PolarHBondContact O-N 3.06Å
313	R	70.1	Confident	66.5	Low	118 Å²	118	78 Å²	78	45%	0.445	36%	0.361	S	S	.	.	H	α-helix	trans	-61.2	-44.5	174	-73.8	171.6	178.1	-138.2	-1.9	112.6	C227 Q309 Q310 E316 N317	C227-R313 PolarHBondContact O-NH1 3.17Å; Q309-R313 WeakPolarHBondContact O-CG 3.48Å; Q309-R313 PolarHBondContact O-N 2.71Å; Q310-R313 PolarHBondContact O-N 3.46Å; R313-E316 PolarHBondContact O-N 3.44Å; R313-N317 PolarHBondContact O-N 2.83Å; R313-N317 VanDerWaalsContact O-N 3.09Å
314	M	66.3	Low	67.7	Low	22 Å²	22	79.7 Å²	79.7	11%	0.108	37%	0.367	C	S	.	.	H	α-helix	trans	-67.1	-38.6	177.9	-64.7	-169.3	-170.7	0	0	111.4	P166 F197 Q310 L311 E316 N317 A318 F326	P166-M314 HydrophobicContact CG-CE 3.55Å; F197-M314 HydrophobicContact CE1-CB 4.19Å; F197-M314 HydrophobicContact CE2-CB 3.93Å; F197-M314 HydrophobicContact CE2-SD 4.34Å; F197-M314 HydrophobicContact CZ-CB 3.31Å; F197-M314 HydrophobicContact CZ-CG 4.16Å; F197-M314 HydrophobicContact CZ-SD 3.73Å; Q310-M314 HydrophobicContact CG-CE 3.81Å; Q310-M314 HydrophobicContact CG-CG 4.36Å; Q310-M314 VanDerWaalsContact NE2-CE 3.26Å; Q310-M314 WeakPolarHBondContact O-CG 3.41Å; Q310-M314 PolarHBondContact O-N 3.48Å; L311-M314 PolarHBondContact O-N 3.06Å; M314-E316 VanDerWaalsContact C-N 3.33Å; M314-E316 PolarHBondContact O-N 3.09Å; M314-N317 CarbonylContact O-C 3.59Å; M314-N317 PolarHBondContact O-N 2.93Å; M314-A318 VanDerWaalsContact O-CB 3.29Å; M314-A318 WeakPolarHBondContact O-CB 3.4Å; M314-A318 PolarHBondContact O-N 3.3Å; M314-F326 HydrophobicContact CE-CZ 4Å; M314-F326 HydrophobicContact SD-CZ 4.48Å
315	K	67.6	Low	69	Low	95 Å²	95	83.6 Å²	83.6	41%	0.413	38%	0.383	S	S	.	.	H	α-helix	trans	-58.3	-42.8	172.9	176.2	179.9	-165.2	144.1	0	112.1	L205 L311 Q312 N317 A318	L205-K315 HydrophobicContact CD1-CB 3.97Å; L205-K315 HydrophobicContact CD1-CD 3.35Å; L205-K315 VanDerWaalsContact CD1-CE 3.4Å; L205-K315 HydrophobicContact CD1-CG 3.47Å; L205-K315 VanDerWaalsContact CD1-CG 3.47Å; L311-K315 VanDerWaalsContact O-CB 3.26Å; L311-K315 WeakPolarHBondContact O-CB 3.3Å; L311-K315 PolarHBondContact O-N 3.25Å; Q312-K315 WeakPolarHBondContact O-CB 3.42Å; Q312-K315 PolarHBondContact O-N 2.67Å; K315-N317 VanDerWaalsContact C-N 3.35Å; K315-A318 PolarHBondContact O-N 2.99Å
316	E	67.2	Low	70.3	Confident	103 Å²	103	79.5 Å²	79.5	48%	0.481	37%	0.365	S	S	.	.	H	α-helix	trans	-63.9	-40.9	176.5	-74.8	164.1	-168.3	0	0	111.5	Q312 R313 M314	Q312-E316 WeakPolarHBondContact CG-OE1 3.45Å; Q312-E316 PolarHBondContact NE2-OE1 3.03Å; Q312-E316 WeakPolarHBondContact O-CG 3.47Å; Q312-E316 PolarHBondContact O-N 3.06Å; R313-E316 PolarHBondContact O-N 3.44Å; M314-E316 VanDerWaalsContact C-N 3.33Å; M314-E316 PolarHBondContact O-N 3.09Å
317	N	64	Low	71.9	Confident	93 Å²	93	79 Å²	79	50%	0.497	36%	0.362	S	S	.	.	H	α-helix	trans	-78	-23.9	177.9	-67.8	-14.3	0	0	0	114.2	R313 M314 K315 K319 H320	R313-N317 PolarHBondContact O-N 2.83Å; R313-N317 VanDerWaalsContact O-N 3.09Å; M314-N317 CarbonylContact O-C 3.59Å; M314-N317 PolarHBondContact O-N 2.93Å; K315-N317 VanDerWaalsContact C-N 3.35Å; N317-K319 PolarHBondContact O-N 3.42Å; N317-K319 VanDerWaalsContact O-N 3.08Å; N317-H320 PolarHBondContact O-N 2.94Å; N317-H320 VanDerWaalsContact O-N 3.12Å
318	A	61.2	Low	73.3	Confident	24 Å²	24	79 Å²	79	20%	0.198	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21	-176.2	0	0	0	0	0	113.3	F197 M314 K315 H320 R321	F197-A318 HydrophobicContact CD2-CB 4.1Å; M314-A318 VanDerWaalsContact O-CB 3.29Å; M314-A318 WeakPolarHBondContact O-CB 3.4Å; M314-A318 PolarHBondContact O-N 3.3Å; K315-A318 PolarHBondContact O-N 2.99Å; A318-H320 PolarHBondContact O-N 3.32Å; A318-R321 WeakPolarHBondContact CA-O 3.36Å; A318-R321 CarbonylContact O-C 3.56Å; A318-R321 PolarHBondContact O-N 2.93Å
319	K	58	Low	74.8	Confident	178 Å²	178	74.1 Å²	74.1	77%	0.774	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-20.4	173.2	-65.6	-177.9	179	179.1	0	114.3	N317	N317-K319 PolarHBondContact O-N 3.42Å; N317-K319 VanDerWaalsContact O-N 3.08Å
320	H	58.8	Low	76.1	Confident	175 Å²	175	70.9 Å²	70.9	81%	0.81	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.3	-19.7	-179.1	-59.2	-63.1	0	0	0	113.9	N317 A318	N317-H320 PolarHBondContact O-N 2.94Å; N317-H320 VanDerWaalsContact O-N 3.12Å; A318-H320 PolarHBondContact O-N 3.32Å
321	R	67.5	Low	77.5	Confident	120 Å²	120	69.9 Å²	69.9	45%	0.453	32%	0.32	S	S	.	.			trans	-159.1	123.5	-179.1	-174.7	176.7	-177.8	153.7	10.6	110.2	A318 Q323 Y324	A318-R321 WeakPolarHBondContact CA-O 3.36Å; A318-R321 CarbonylContact O-C 3.56Å; A318-R321 PolarHBondContact O-N 2.93Å; R321-Q323 PolarHBondContact NE-O 2.85Å; R321-Y324 VanDerWaalsContact O-CE2 3.31Å; R321-Y324 WeakPolarHBondContact O-CE2 3.31Å; R321-Y324 PolarHBondContact O-OH 3.48Å
322	N	74.4	Confident	78.8	Confident	75 Å²	75	68.1 Å²	68.1	40%	0.401	31%	0.312	S	S	.	.			trans	-109.2	32.7	178.2	-164.8	15.4	0	0	0	113.6	R196 F197	R196-N322 WeakPolarHBondContact CG-O 3.47Å; F197-N322 WeakPolarHBondContact CA-OD1 3.34Å; F197-N322 VanDerWaalsContact CB-OD1 3.27Å; F197-N322 WeakPolarHBondContact CB-OD1 3.29Å; F197-N322 PolarHBondContact N-OD1 3.14Å; F197-N322 PolarHBondContact O-ND2 3.06Å; F197-N322 PolarHBondContact O-OD1 2.87Å
323	Q	82.4	Confident	80	Confident	86 Å²	86	64.1 Å²	64.1	40%	0.402	29%	0.293	S	S	.	.			trans	-148.5	118.9	177	-166.7	173.8	0.3	0	0	111.1	S194 R196 R321	S194-Q323 WeakPolarHBondContact OG-CG 3.47Å; S194-Q323 PolarHBondContact OG-NE2 2.85Å; R196-Q323 HydrophobicContact CG-CG 4.49Å; R321-Q323 PolarHBondContact NE-O 2.85Å
324	Y	87.7	Confident	80.9	Confident	38 Å²	38	61.3 Å²	61.3	15%	0.149	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	146.9	-173.7	-62.2	-90.7	0	0	0	110	S194 V195 F197 R321	S194-Y324 CarbonylContact C-O 3.53Å; S194-Y324 WeakPolarHBondContact CA-O 3.3Å; V195-Y324 PolarHBondContact N-O 3.46Å; V195-Y324 PolarHBondContact O-N 3.43Å; F197-Y324 HydrophobicContact CD2-CD2 4.38Å; F197-Y324 AromaticContact CD2-CE2 3.95Å; F197-Y324 HydrophobicContact CD2-CE2 3.95Å; F197-Y324 AromaticContact CE2-CD2 3.98Å; F197-Y324 HydrophobicContact CE2-CD2 3.98Å; F197-Y324 AromaticContact CE2-CE2 3.59Å; F197-Y324 HydrophobicContact CE2-CE2 3.59Å; R321-Y324 VanDerWaalsContact O-CE2 3.31Å; R321-Y324 WeakPolarHBondContact O-CE2 3.31Å; R321-Y324 PolarHBondContact O-OH 3.48Å
325	K	92.1	Very high	82	Confident	122 Å²	122	64.5 Å²	64.5	53%	0.53	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	137.1	171.4	-68.1	-177.3	179.5	179.6	0	109.5	L167 V192 V193	L167-K325 HydrophobicContact CB-CB 3.93Å; L167-K325 VanDerWaalsContact CB-O 3.27Å; L167-K325 WeakPolarHBondContact CB-O 3.39Å; L167-K325 HydrophobicContact CD1-CB 4.03Å; L167-K325 PolarHBondContact N-O 2.87Å; V192-K325 HydrophobicContact CG1-CB 3.98Å; V192-K325 HydrophobicContact CG1-CG 4.39Å; V193-K325 WeakPolarHBondContact O-CA 3.13Å
326	F	93.9	Very high	83.1	Confident	3 Å²	3	60.8 Å²	60.8	1%	0.013	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	136.6	175.8	-82.5	-123.2	0	0	0	109.2	L156 C164 K165 P166 V192 V193 V195 M314	L156-F326 HydrophobicContact CD1-CD1 4.49Å; L156-F326 HydrophobicContact CD1-CE1 3.68Å; L156-F326 HydrophobicContact CD1-CZ 4.32Å; C164-F326 HydrophobicContact CB-CB 4.33Å; C164-F326 HydrophobicContact CB-CD1 4.32Å; K165-F326 CarbonylContact O-C 3.44Å; K165-F326 WeakPolarHBondContact O-CA 3.33Å; K165-F326 WeakPolarHBondContact O-CB 3.44Å; K165-F326 WeakPolarHBondContact O-CD1 3.37Å; P166-F326 HydrophobicContact CB-CZ 4.41Å; P166-F326 HydrophobicContact CG-CD1 4.38Å; P166-F326 HydrophobicContact CG-CE1 3.77Å; P166-F326 HydrophobicContact CG-CE2 4.32Å; P166-F326 HydrophobicContact CG-CZ 3.75Å; V192-F326 WeakPolarHBondContact CA-O 3.47Å; V192-F326 VanDerWaalsContact CG1-O 3.31Å; V192-F326 WeakPolarHBondContact CG1-O 3.1Å; V193-F326 HydrophobicContact CG2-CB 4.02Å; V193-F326 PolarHBondContact N-O 3.32Å; V193-F326 PolarHBondContact O-N 3.03Å; V195-F326 HydrophobicContact CB-CD2 3.6Å; V195-F326 HydrophobicContact CB-CE2 3.68Å; V195-F326 HydrophobicContact CB-CG 4.29Å; V195-F326 HydrophobicContact CB-CZ 4.4Å; V195-F326 HydrophobicContact CG1-CD2 4.42Å; V195-F326 HydrophobicContact CG1-CE2 4.09Å; V195-F326 HydrophobicContact CG1-CZ 4.38Å; V195-F326 HydrophobicContact CG2-CB 3.83Å; V195-F326 HydrophobicContact CG2-CD1 4.15Å; V195-F326 HydrophobicContact CG2-CD2 3.34Å; V195-F326 HydrophobicContact CG2-CE2 3.85Å; V195-F326 HydrophobicContact CG2-CG 3.52Å; V195-F326 HydrophobicContact CG2-CZ 4.43Å; M314-F326 HydrophobicContact CE-CZ 4Å; M314-F326 HydrophobicContact SD-CZ 4.48Å
327	I	95.6	Very high	84.1	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	141.3	171.8	60.2	174.8	0	0	0	110.1	C164 K165 L167 E171 H172 Y175 Y189 V192 L329	C164-I327 WeakPolarHBondContact CA-O 3.5Å; C164-I327 WeakPolarHBondContact CB-O 3.43Å; K165-I327 HydrophobicContact CG-CD1 4.15Å; K165-I327 HydrophobicContact CG-CG1 3.83Å; K165-I327 PolarHBondContact N-O 2.99Å; K165-I327 VanDerWaalsContact N-O 3.17Å; K165-I327 PolarHBondContact O-N 3.18Å; L167-I327 HydrophobicContact CB-CG2 4.04Å; L167-I327 HydrophobicContact CD1-CG2 3.76Å; L167-I327 HydrophobicContact CG-CG2 3.74Å; E171-I327 HydrophobicContact CG-CD1 3.99Å; H172-I327 HydrophobicContact CB-CG2 4.34Å; Y175-I327 HydrophobicContact CD2-CD1 4.23Å; Y175-I327 HydrophobicContact CE2-CD1 4.18Å; Y189-I327 HydrophobicContact CE2-CB 4.33Å; Y189-I327 HydrophobicContact CE2-CG2 4.45Å; V192-I327 HydrophobicContact CG2-CG2 4.44Å; I327-L329 HydrophobicContact CD1-CD1 4.17Å; I327-L329 HydrophobicContact CD1-CD2 4.49Å; I327-L329 HydrophobicContact CD1-CG 4.41Å; I327-L329 HydrophobicContact CG1-CG 4.49Å
328	L	96.5	Very high	85.4	Confident	16 Å²	16	58.3 Å²	58.3	8%	0.084	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	132.8	173.6	-60.6	-171.2	0	0	0	110.2	F158 T162 L163 C164 Y189 K190 G191 V193	F158-L328 HydrophobicContact CB-CD2 4.27Å; F158-L328 HydrophobicContact CD1-CD2 4.48Å; F158-L328 HydrophobicContact CD2-CD2 4.03Å; F158-L328 HydrophobicContact CE1-CD1 4.49Å; F158-L328 HydrophobicContact CG-CD2 4.01Å; T162-L328 HydrophobicContact CG2-CB 3.96Å; T162-L328 HydrophobicContact CG2-CD1 4.39Å; T162-L328 HydrophobicContact CG2-CD2 4.29Å; T162-L328 HydrophobicContact CG2-CG 4.46Å; L163-L328 WeakPolarHBondContact O-CA 3.32Å; C164-L328 HydrophobicContact CB-CD2 3.59Å; Y189-L328 WeakPolarHBondContact CD2-O 3.2Å; K190-L328 HydrophobicContact CB-CB 3.7Å; K190-L328 PolarHBondContact N-O 2.93Å; G191-L328 PolarHBondContact O-N 2.93Å; V193-L328 HydrophobicContact CB-CD2 4.49Å; V193-L328 HydrophobicContact CG1-CD1 3.77Å; V193-L328 HydrophobicContact CG1-CD2 4.02Å; V193-L328 HydrophobicContact CG1-CG 3.99Å; V193-L328 HydrophobicContact CG2-CD2 3.68Å; V193-L328 HydrophobicContact CG2-CG 4.3Å
329	L	97	Very high	86.9	Confident	15 Å²	15	57.3 Å²	57.3	8%	0.079	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	155.3	-177.8	-62.1	177	0	0	0	111.6	T162 L163 Y175 P187 Q188 Y189 I327 N331	T162-L329 CarbonylContact C-O 3.25Å; T162-L329 WeakPolarHBondContact CA-O 3.36Å; L163-L329 PolarHBondContact N-O 2.78Å; L163-L329 PolarHBondContact O-N 3.24Å; Y175-L329 HydrophobicContact CD1-CD2 4.19Å; Y175-L329 HydrophobicContact CD2-CD2 4.09Å; Y175-L329 HydrophobicContact CE1-CD2 3.74Å; Y175-L329 HydrophobicContact CE2-CD1 4.13Å; Y175-L329 HydrophobicContact CE2-CD2 3.65Å; Y175-L329 HydrophobicContact CG-CD2 4.35Å; Y175-L329 VanDerWaalsContact CZ-CD2 3.43Å; P187-L329 HydrophobicContact CB-CB 4.22Å; Q188-L329 CarbonylContact O-C 3.55Å; Q188-L329 WeakPolarHBondContact O-CA 3.43Å; Y189-L329 HydrophobicContact CD2-CD2 4.24Å; I327-L329 HydrophobicContact CD1-CD1 4.17Å; I327-L329 HydrophobicContact CD1-CD2 4.49Å; I327-L329 HydrophobicContact CD1-CG 4.41Å; I327-L329 HydrophobicContact CG1-CG 4.49Å; L329-N331 PolarHBondContact O-N 2.9Å
330	E	96.6	Very high	88.7	Confident	35 Å²	35	48.8 Å²	48.8	16%	0.164	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.7	128.1	169.4	-172.8	-171.9	160.3	0	0	112	P187 Q188 L332 R335 R503	P187-E330 HydrophobicContact CB-CB 4.13Å; Q188-E330 HydrophobicContact CB-CB 3.96Å; Q188-E330 PolarHBondContact N-OE2 2.92Å; Q188-E330 PolarHBondContact O-N 2.85Å; E330-L332 HydrophobicContact CB-CD2 4.48Å; E330-L332 VanDerWaalsContact CD-CD2 3.49Å; E330-L332 HydrophobicContact CG-CD2 4.06Å; E330-L332 PolarHBondContact O-N 3.49Å; E330-L332 VanDerWaalsContact O-N 3.1Å; E330-L332 WeakPolarHBondContact OE1-CD2 3.35Å; E330-R335 IonicContact OE1-NH1 3.95Å; E330-R335 PolarHBondContact OE1-NH1 3.46Å; E330-R503 IonicContact OE1-CZ 2.66Å; E330-R503 IonicContact OE1-NH1 2.63Å; E330-R503 IonicContact OE1-NH2 3.7Å; E330-R503 PolarHBondContact OE1-NH2 3.29Å; E330-R503 IonicContact OE2-CZ 3.6Å; E330-R503 IonicContact OE2-NH1 2.84Å; E330-R503 PolarHBondContact OE2-NH1 2.83Å; E330-R503 IonicContact OE2-NH2 2.72Å; E330-R503 PolarHBondContact OE2-NH2 3.03Å
331	N	94.9	Very high	90.4	Very high	9 Å²	9	40.6 Å²	40.6	5%	0.048	19%	0.19	C	C	.	.			trans	-77.6	91.6	165.6	-177.2	7.1	0	0	0	109.6	E160 T161 L163 L329 T333 S334	E160-N331 PolarHBondContact O-ND2 3.39Å; T161-N331 VanDerWaalsContact C-CB 3.46Å; T161-N331 PolarHBondContact O-N 2.83Å; L163-N331 HydrophobicContact CD1-CB 4.28Å; L163-N331 HydrophobicContact CD2-CB 4Å; L163-N331 HydrophobicContact CG-CB 3.74Å; L329-N331 PolarHBondContact O-N 2.9Å; N331-T333 PolarHBondContact O-N 2.86Å; N331-T333 PolarHBondContact OD1-N 2.89Å; N331-T333 VanDerWaalsContact OD1-N 3.08Å; N331-T333 PolarHBondContact OD1-OG1 2.85Å; N331-S334 WeakPolarHBondContact O-CB 3.16Å; N331-S334 PolarHBondContact O-N 3.21Å; N331-S334 PolarHBondContact O-OG 3.06Å
332	L	94.4	Very high	91.9	Very high	10 Å²	10	35 Å²	35	5%	0.052	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-22.5	178.4	-60.5	177.2	0	0	0	113.5	P187 E330 R335 Y336 L455 I457 R503	P187-L332 HydrophobicContact CG-CD1 4.1Å; P187-L332 HydrophobicContact CG-CG 4.49Å; E330-L332 HydrophobicContact CB-CD2 4.48Å; E330-L332 VanDerWaalsContact CD-CD2 3.49Å; E330-L332 HydrophobicContact CG-CD2 4.06Å; E330-L332 PolarHBondContact O-N 3.49Å; E330-L332 VanDerWaalsContact O-N 3.1Å; E330-L332 WeakPolarHBondContact OE1-CD2 3.35Å; L332-R335 PolarHBondContact O-NH2 3.1Å; L332-Y336 VanDerWaalsContact O-CE2 3.26Å; L332-Y336 WeakPolarHBondContact O-CE2 3.28Å; L332-L455 HydrophobicContact CD1-CD2 3.94Å; L332-I457 HydrophobicContact CB-CD1 3.47Å; L332-I457 VanDerWaalsContact CB-CD1 3.47Å; L332-I457 HydrophobicContact CD1-CD1 4.11Å; L332-I457 HydrophobicContact CG-CD1 4.44Å; L332-R503 HydrophobicContact CD1-CB 3.75Å; L332-R503 HydrophobicContact CD1-CG 3.7Å; L332-R503 HydrophobicContact CD2-CG 3.86Å; L332-R503 HydrophobicContact CG-CG 4.45Å
333	T	92.9	Very high	93	Very high	9 Å²	9	31.7 Å²	31.7	6%	0.055	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-8.3	-179.6	68.7	0	0	0	0	114.5	F145 H147 N331 R335 Y336 P339 V341 I457	F145-T333 WeakPolarHBondContact CE2-OG1 3.32Å; F145-T333 HydrophobicContact CZ-CG2 3.87Å; F145-T333 WeakPolarHBondContact CZ-OG1 3.31Å; H147-T333 HydrophobicContact CB-CG2 4.04Å; H147-T333 PolarHBondContact ND1-OG1 3.49Å; H147-T333 VanDerWaalsContact ND1-OG1 3.16Å; N331-T333 PolarHBondContact O-N 2.86Å; N331-T333 PolarHBondContact OD1-N 2.89Å; N331-T333 VanDerWaalsContact OD1-N 3.08Å; N331-T333 PolarHBondContact OD1-OG1 2.85Å; T333-R335 PolarHBondContact O-N 3.17Å; T333-R335 VanDerWaalsContact O-N 3.12Å; T333-Y336 PolarHBondContact O-N 3.22Å; T333-P339 HydrophobicContact CG2-CB 4.19Å; T333-P339 HydrophobicContact CG2-CG 4.47Å; T333-V341 HydrophobicContact CG2-CG2 4.26Å; T333-I457 HydrophobicContact CG2-CD1 4.4Å
334	S	90.4	Very high	93.7	Very high	59 Å²	59	27.6 Å²	27.6	41%	0.413	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-12.3	-168.4	74.4	0	0	0	0	115.7	E160 N331	E160-S334 WeakPolarHBondContact O-CB 3.46Å; N331-S334 WeakPolarHBondContact O-CB 3.16Å; N331-S334 PolarHBondContact O-N 3.21Å; N331-S334 PolarHBondContact O-OG 3.06Å
335	R	88.9	Confident	94.1	Very high	90 Å²	90	26.5 Å²	26.5	34%	0.34	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-3.1	-177.4	62.7	-176.3	166.2	-108	-15.6	114.3	E330 L332 T333 R463 D501	E330-R335 IonicContact OE1-NH1 3.95Å; E330-R335 PolarHBondContact OE1-NH1 3.46Å; L332-R335 PolarHBondContact O-NH2 3.1Å; T333-R335 PolarHBondContact O-N 3.17Å; T333-R335 VanDerWaalsContact O-N 3.12Å; R335-R463 PolarHBondContact O-NH2 2.9Å; R335-D501 IonicContact CZ-OD2 3.45Å; R335-D501 IonicContact NH1-OD2 2.74Å; R335-D501 VanDerWaalsContact NH2-CG 3.27Å; R335-D501 IonicContact NH2-OD2 3.47Å; R335-D501 PolarHBondContact NH2-OD2 3.4Å
336	Y	90.3	Very high	94.4	Very high	17 Å²	17	20.7 Å²	20.7	7%	0.067	10%	0.103	C	C	.	.			trans	-108.6	140.4	-177.4	-55.4	-67.3	0	0	0	110.1	L332 T333 P339 I457 D459 S499	L332-Y336 VanDerWaalsContact O-CE2 3.26Å; L332-Y336 WeakPolarHBondContact O-CE2 3.28Å; T333-Y336 PolarHBondContact O-N 3.22Å; Y336-P339 HydrophobicContact CD2-CB 4.28Å; Y336-P339 HydrophobicContact CG-CB 4.42Å; Y336-I457 HydrophobicContact CD2-CG2 3.55Å; Y336-I457 HydrophobicContact CE2-CB 4.02Å; Y336-I457 HydrophobicContact CE2-CG2 3.26Å; Y336-I457 HydrophobicContact CG-CG2 4.41Å; Y336-I457 PolarHBondContact OH-O 3.17Å; Y336-D459 WeakPolarHBondContact CA-OD2 3.39Å; Y336-D459 HydrophobicContact CD1-CB 3.72Å; Y336-S499 VanDerWaalsContact CE1-O 3.3Å; Y336-S499 WeakPolarHBondContact CE1-O 3.48Å
337	E	88.6	Confident	94.5	Very high	121 Å²	121	20.8 Å²	20.8	57%	0.565	11%	0.105	S	C	*	.	S	Bend	trans	-76.6	-41.1	174.7	-166.2	-178.7	146.4	0	0	110.8	D459 K461	E337-D459 PolarHBondContact N-OD1 2.83Å; E337-D459 VanDerWaalsContact N-OD1 3.14Å; E337-D459 PolarHBondContact N-OD2 2.91Å; E337-K461 HydrophobicContact CB-CD 4.4Å; E337-K461 HydrophobicContact CG-CD 4.29Å; E337-K461 WeakPolarHBondContact OE1-CD 3.34Å; E337-K461 IonicContact OE1-NZ 3.93Å; E337-K461 PolarHBondContact OE1-NZ 3.18Å; E337-K461 VanDerWaalsContact OE2-CD 3.26Å; E337-K461 WeakPolarHBondContact OE2-CD 3.27Å; E337-K461 IonicContact OE2-NZ 3.84Å; E337-K461 PolarHBondContact OE2-NZ 3.16Å
338	V	90.6	Very high	94.5	Very high	22 Å²	22	23.7 Å²	23.7	13%	0.133	12%	0.122	C	C	.	.	S	Bend	trans	-133.3	80.6	177.6	-170.3	0	0	0	0	109.2	C340 Y385 L392 D459 G460 K461	V338-C340 PolarHBondContact O-N 3.33Å; V338-Y385 HydrophobicContact CG1-CD1 4.45Å; V338-Y385 HydrophobicContact CG1-CD2 3.71Å; V338-Y385 HydrophobicContact CG1-CE2 4.39Å; V338-Y385 HydrophobicContact CG1-CG 3.73Å; V338-L392 HydrophobicContact CG1-CD2 4.08Å; V338-D459 PolarHBondContact N-OD1 2.78Å; V338-G460 WeakPolarHBondContact O-CA 3.38Å; V338-G460 PolarHBondContact O-N 3.01Å; V338-K461 HydrophobicContact CB-CB 4.39Å; V338-K461 HydrophobicContact CG2-CB 4.07Å
339	P	93.1	Very high	94.4	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.019	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	122.9	-173.7	24.3	-33.1	0	0	0	111.8	T333 Y336 V341 Q383 I457	T333-P339 HydrophobicContact CG2-CB 4.19Å; T333-P339 HydrophobicContact CG2-CG 4.47Å; Y336-P339 HydrophobicContact CD2-CB 4.28Å; Y336-P339 HydrophobicContact CG-CB 4.42Å; P339-V341 HydrophobicContact CB-CG2 4.06Å; P339-Q383 PolarHBondContact O-NE2 3.1Å; P339-I457 HydrophobicContact CB-CG2 4.28Å
340	C	95.4	Very high	94.1	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	129.9	162.9	-60.2	0	0	0	0	107.7	V338 Q383 Y385 F415 I457 Y458 G460	V338-C340 PolarHBondContact O-N 3.33Å; C340-Q383 CarbonylContact C-O 3.56Å; C340-Q383 VanDerWaalsContact CA-O 3.23Å; C340-Q383 WeakPolarHBondContact CA-O 3.47Å; C340-Y385 PolarHBondContact SG-N 3.27Å; C340-F415 HydrophobicContact CB-CE2 4.27Å; C340-I457 VanDerWaalsContact O-CA 3.24Å; C340-I457 WeakPolarHBondContact O-CA 3.48Å; C340-I457 WeakPolarHBondContact O-CG2 3.28Å; C340-Y458 HydrophobicContact CB-CD1 3.8Å; C340-Y458 HydrophobicContact CB-CD2 4.16Å; C340-Y458 HydrophobicContact CB-CE1 3.34Å; C340-Y458 HydrophobicContact CB-CE2 3.74Å; C340-Y458 HydrophobicContact CB-CG 4.17Å; C340-Y458 PolarHBondContact N-O 3.05Å; C340-Y458 PolarHBondContact O-N 3.49Å; C340-Y458 VanDerWaalsContact O-N 3.1Å; C340-G460 WeakPolarHBondContact SG-CA 3.49Å
341	V	96.2	Very high	94	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.018	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	127.9	-167.2	-174.8	0	0	0	0	110.4	V149 T333 P339 M382 Q383 L455 V456 I457	V149-V341 HydrophobicContact CG1-CB 3.9Å; V149-V341 HydrophobicContact CG1-CG1 4.08Å; V149-V341 HydrophobicContact CG2-CB 4.38Å; V149-V341 HydrophobicContact CG2-CG1 3.73Å; T333-V341 HydrophobicContact CG2-CG2 4.26Å; P339-V341 HydrophobicContact CB-CG2 4.06Å; V341-M382 CarbonylContact O-C 3.5Å; V341-M382 VanDerWaalsContact O-CA 3.31Å; V341-M382 WeakPolarHBondContact O-CA 3.23Å; V341-Q383 PolarHBondContact N-O 3.12Å; V341-Q383 PolarHBondContact O-N 2.86Å; V341-L455 HydrophobicContact CG1-CD1 3.61Å; V341-L455 HydrophobicContact CG1-CG 4.15Å; V341-V456 WeakPolarHBondContact CA-O 3.39Å; V341-I457 HydrophobicContact CG1-CG1 4.29Å; V341-I457 HydrophobicContact CG2-CG1 4.41Å; V341-I457 HydrophobicContact CG2-CG2 4.21Å
342	L	97.7	Very high	93.7	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120.1	175.4	175.5	70.1	0	0	0	110.3	L344 V379 M382 L412 F415 L455 V456	L342-L344 HydrophobicContact CD1-CD2 3.91Å; L342-L344 HydrophobicContact CD2-CD1 4.09Å; L342-L344 HydrophobicContact CD2-CD2 3.92Å; L342-L344 HydrophobicContact CD2-CG 4Å; L342-L344 HydrophobicContact CG-CD2 3.83Å; L342-L344 HydrophobicContact CG-CG 3.93Å; L342-V379 HydrophobicContact CD1-CG1 4.12Å; L342-V379 HydrophobicContact CD1-CG2 4.36Å; L342-M382 HydrophobicContact CD1-CB 4.06Å; L342-M382 HydrophobicContact CD1-CG 3.97Å; L342-M382 HydrophobicContact CD1-SD 4.09Å; L342-L412 HydrophobicContact CD2-CD2 3.54Å; L342-F415 HydrophobicContact CB-CD1 4.17Å; L342-F415 HydrophobicContact CB-CD2 3.69Å; L342-F415 HydrophobicContact CB-CE1 3.94Å; L342-F415 HydrophobicContact CB-CE2 3.47Å; L342-F415 VanDerWaalsContact CB-CE2 3.47Å; L342-F415 HydrophobicContact CB-CG 4.05Å; L342-F415 HydrophobicContact CB-CZ 3.58Å; L342-F415 HydrophobicContact CD2-CB 4.44Å; L342-F415 HydrophobicContact CD2-CD1 3.81Å; L342-F415 HydrophobicContact CD2-CD2 4.43Å; L342-F415 HydrophobicContact CD2-CE1 4.16Å; L342-F415 HydrophobicContact CD2-CG 3.95Å; L342-F415 HydrophobicContact CG-CD2 4.47Å; L342-F415 HydrophobicContact CG-CG 4.46Å; L342-L455 CarbonylContact O-C 3.49Å; L342-L455 VanDerWaalsContact O-CA 3.32Å; L342-L455 WeakPolarHBondContact O-CA 3.45Å; L342-V456 HydrophobicContact CB-CB 4.38Å; L342-V456 PolarHBondContact N-O 3.41Å; L342-V456 PolarHBondContact O-N 3.16Å
343	D	97.4	Very high	93.4	Very high	5 Å²	5	27.4 Å²	27.4	3%	0.027	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	114.7	172.8	172.2	-8.5	0	0	0	108.7	V149 G150 C380 G381 S453 L455	V149-D343 HydrophobicContact CG2-CB 3.71Å; G150-D343 WeakPolarHBondContact CA-OD2 3.32Å; D343-C380 HydrophobicContact CB-CB 4.42Å; D343-C380 WeakPolarHBondContact O-CA 3.39Å; D343-C380 WeakPolarHBondContact O-CB 3.44Å; D343-C380 PolarHBondContact O-N 2.89Å; D343-C380 WeakPolarHBondContact OD1-CB 3.4Å; D343-G381 PolarHBondContact N-O 3.05Å; D343-G381 PolarHBondContact O-N 2.76Å; D343-G381 VanDerWaalsContact O-N 3.17Å; D343-S453 WeakPolarHBondContact OD1-CB 3.13Å; D343-S453 PolarHBondContact OD1-OG 2.6Å; D343-L455 HydrophobicContact CB-CD1 3.99Å
344	L	97.8	Very high	93.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.4	176.8	-62.6	-179.2	0	0	0	110.3	L342 M346 V377 R378 V379 F408 S453 L454 L536	L342-L344 HydrophobicContact CD1-CD2 3.91Å; L342-L344 HydrophobicContact CD2-CD1 4.09Å; L342-L344 HydrophobicContact CD2-CD2 3.92Å; L342-L344 HydrophobicContact CD2-CG 4Å; L342-L344 HydrophobicContact CG-CD2 3.83Å; L342-L344 HydrophobicContact CG-CG 3.93Å; L344-M346 HydrophobicContact CB-SD 4.06Å; L344-V377 HydrophobicContact CB-CG2 3.88Å; L344-V377 HydrophobicContact CD1-CG2 4.12Å; L344-V377 HydrophobicContact CD2-CG2 4.36Å; L344-V377 HydrophobicContact CG-CG2 4.35Å; L344-R378 CarbonylContact C-O 3.56Å; L344-R378 WeakPolarHBondContact CA-O 3.32Å; L344-V379 HydrophobicContact CD2-CG2 4.13Å; L344-F408 HydrophobicContact CD2-CE2 3.92Å; L344-F408 HydrophobicContact CD2-CZ 4.15Å; L344-S453 CarbonylContact O-C 3.5Å; L344-S453 WeakPolarHBondContact O-CA 3.4Å; L344-S453 WeakPolarHBondContact O-CB 3.47Å; L344-S453 PolarHBondContact O-OG 3.14Å; L344-L454 HydrophobicContact CB-CB 4.43Å; L344-L454 PolarHBondContact N-O 3.05Å; L344-L454 PolarHBondContact O-N 2.86Å; L344-L536 HydrophobicContact CD1-CD1 3.81Å; L344-L536 HydrophobicContact CD1-CD2 3.53Å; L344-L536 HydrophobicContact CD1-CG 4.34Å
345	K	96.9	Very high	93	Very high	16 Å²	16	30.3 Å²	30.3	7%	0.07	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	123.2	169.9	-144.1	79.3	-154.5	150	0	109.5	V377 R378 C380 S451 S452 S453	K345-V377 CarbonylContact O-C 3.52Å; K345-V377 WeakPolarHBondContact O-CA 3.25Å; K345-R378 HydrophobicContact CB-CG 3.9Å; K345-R378 PolarHBondContact N-O 2.93Å; K345-R378 PolarHBondContact O-N 3.4Å; K345-C380 HydrophobicContact CB-CB 4.43Å; K345-S451 WeakPolarHBondContact CE-O 3.2Å; K345-S451 PolarHBondContact NZ-O 2.85Å; K345-S452 WeakPolarHBondContact CE-O 3.33Å; K345-S452 PolarHBondContact NZ-O 2.57Å; K345-S452 VanDerWaalsContact NZ-O 3.15Å; K345-S453 WeakPolarHBondContact CD-OG 3.36Å; K345-S453 PolarHBondContact NZ-OG 3.41Å
346	M	97.4	Very high	93.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	161.3	-178.1	-53.7	-55.5	-70.2	0	0	111.3	L344 G376 V377 S452 L454 Y529 G532 L533	L344-M346 HydrophobicContact CB-SD 4.06Å; M346-G376 CarbonylContact C-O 3.56Å; M346-V377 HydrophobicContact CE-CB 4.43Å; M346-V377 HydrophobicContact CE-CG2 4.29Å; M346-V377 HydrophobicContact SD-CB 4.18Å; M346-V377 HydrophobicContact SD-CG2 3.55Å; M346-V377 VanDerWaalsContact SD-CG2 3.55Å; M346-S452 PolarHBondContact N-O 2.78Å; M346-L454 HydrophobicContact CG-CB 3.86Å; M346-L454 HydrophobicContact SD-CB 3.91Å; M346-Y529 HydrophobicContact CB-CD1 4.43Å; M346-Y529 HydrophobicContact CB-CD2 3.54Å; M346-Y529 HydrophobicContact CB-CE1 4.23Å; M346-Y529 HydrophobicContact CB-CE2 3.32Å; M346-Y529 HydrophobicContact CB-CG 4.11Å; M346-Y529 HydrophobicContact CE-CE1 4.26Å; M346-Y529 HydrophobicContact CG-CD2 4.34Å; M346-Y529 HydrophobicContact CG-CE1 4.12Å; M346-Y529 HydrophobicContact CG-CE2 3.67Å; M346-G532 VanDerWaalsContact CE-C 3.48Å; M346-L533 HydrophobicContact CE-CD2 3.86Å; M346-L533 HydrophobicContact CE-CG 3.96Å
347	G	96.7	Very high	93.3	Very high	5 Å²	5	37.2 Å²	37.2	5%	0.052	20%	0.195	C	C	.	.			trans	88.3	136.1	176.2	0	0	0	0	0	114.7	R349 Q350 G376 G528	G347-R349 VanDerWaalsContact C-N 3.29Å; G347-Q350 PolarHBondContact O-NE2 3.44Å; G347-G376 CarbonylContact C-O 3.43Å; G347-G376 PolarHBondContact N-O 3.17Å; G347-G528 WeakPolarHBondContact CA-O 3.49Å
348	T	95.4	Very high	93.5	Very high	61 Å²	61	36 Å²	36	37%	0.374	19%	0.189	S	C	.	.	S	Bend	trans	-71.2	-22.4	167	54.4	0	0	0	0	112.9	C367 S372 F531	T348-C367 PolarHBondContact O-SG 2.77Å; T348-S372 WeakPolarHBondContact CA-O 3.39Å; T348-F531 HydrophobicContact CG2-CD1 3.73Å; T348-F531 HydrophobicContact CG2-CE1 4.12Å
349	R	94.1	Very high	93.4	Very high	73 Å²	73	36.4 Å²	36.4	28%	0.275	19%	0.19	S	C	.	.			trans	-115.4	133.1	170.1	179.5	-180	167.3	-162.5	-5.1	109.4	G347 H351 G352 D353 Y450	G347-R349 VanDerWaalsContact C-N 3.29Å; R349-H351 PolarHBondContact NE-CE1 3.07Å; R349-H351 PolarHBondContact NE-NE2 3.35Å; R349-H351 PolarHBondContact NE-O 2.69Å; R349-H351 PolarHBondContact NH2-CE1 2.9Å; R349-H351 VanDerWaalsContact NH2-CE1 3.35Å; R349-H351 PolarHBondContact NH2-ND1 2.68Å; R349-H351 PolarHBondContact NH2-O 3.17Å; R349-G352 VanDerWaalsContact NH2-C 3.3Å; R349-G352 PolarHBondContact NH2-O 3.3Å; R349-D353 IonicContact CZ-OD1 3.74Å; R349-D353 IonicContact NH1-OD1 3.31Å; R349-D353 PolarHBondContact NH1-OD1 3.32Å; R349-D353 IonicContact NH2-OD1 3.07Å; R349-D353 PolarHBondContact NH2-OD1 3.02Å; R349-Y450 HydrophobicContact CB-CD1 4.46Å; R349-Y450 HydrophobicContact CB-CE1 4.21Å; R349-Y450 HydrophobicContact CG-CD1 4.08Å; R349-Y450 HydrophobicContact CG-CE1 3.86Å; R349-Y450 PolarHBondContact NH1-OH 3.5Å
350	Q	91.4	Very high	93.4	Very high	5 Å²	5	36.9 Å²	36.9	2%	0.023	19%	0.194	C	C	.	.			trans	-131.9	3.6	-173.9	-66.8	174.1	2	0	0	114.3	G347 Q363 S372 S451	G347-Q350 PolarHBondContact O-NE2 3.44Å; Q350-Q363 VanDerWaalsContact O-CD 3.28Å; Q350-Q363 PolarHBondContact O-NE2 3.34Å; Q350-S372 PolarHBondContact NE2-OG 2.95Å; Q350-S372 VanDerWaalsContact NE2-OG 3.09Å; Q350-S451 WeakPolarHBondContact O-CB 3.24Å; Q350-S451 PolarHBondContact O-OG 2.81Å
351	H	92.6	Very high	93.3	Very high	39 Å²	39	39.6 Å²	39.6	18%	0.181	22%	0.216	C	C	.	.			trans	-98.9	134.4	168.2	66	94.4	0	0	0	109.3	R349 A355 A360 Q363	R349-H351 PolarHBondContact NE-CE1 3.07Å; R349-H351 PolarHBondContact NE-NE2 3.35Å; R349-H351 PolarHBondContact NE-O 2.69Å; R349-H351 PolarHBondContact NH2-CE1 2.9Å; R349-H351 VanDerWaalsContact NH2-CE1 3.35Å; R349-H351 PolarHBondContact NH2-ND1 2.68Å; R349-H351 PolarHBondContact NH2-O 3.17Å; H351-A355 HydrophobicContact CB-CB 4.05Å; H351-A360 HydrophobicContact CB-CB 4.08Å; H351-Q363 VanDerWaalsContact CA-OE1 3.28Å; H351-Q363 HydrophobicContact CB-CB 4Å
352	G	89.3	Confident	93.1	Very high	3 Å²	3	41.5 Å²	41.5	3%	0.031	23%	0.226	C	C	.	.			trans	-64	174.6	169.2	0	0	0	0	0	112	R349 D354	R349-G352 VanDerWaalsContact NH2-C 3.3Å; R349-G352 PolarHBondContact NH2-O 3.3Å; G352-D354 VanDerWaalsContact C-N 3.29Å; G352-D354 WeakPolarHBondContact CA-OD1 3.46Å
353	D	88.6	Confident	92.9	Very high	43 Å²	43	42 Å²	42	23%	0.23	23%	0.229	C	C	.	.	S	Bend	trans	-79.6	-17.5	172.7	-57.6	-56.4	0	0	0	111.5	R349 V520 H522	R349-D353 IonicContact CZ-OD1 3.74Å; R349-D353 IonicContact NH1-OD1 3.31Å; R349-D353 PolarHBondContact NH1-OD1 3.32Å; R349-D353 IonicContact NH2-OD1 3.07Å; R349-D353 PolarHBondContact NH2-OD1 3.02Å; D353-V520 HydrophobicContact CB-CB 4.14Å; D353-V520 HydrophobicContact CB-CG2 3.95Å; D353-H522 IonicContact OD1-NE2 2.88Å; D353-H522 IonicContact OD2-CD2 3.84Å; D353-H522 IonicContact OD2-CE1 2.9Å; D353-H522 IonicContact OD2-NE2 3.53Å; D353-H522 PolarHBondContact OD2-NE2 2.92Å
354	D	86.4	Confident	92.7	Very high	109 Å²	109	44.9 Å²	44.9	58%	0.583	24%	0.243	S	C	*	.	S	Bend	trans	-81.2	-9.7	173.4	68	-39.1	0	0	0	114.2	G352 S356 H509	G352-D354 VanDerWaalsContact C-N 3.29Å; G352-D354 WeakPolarHBondContact CA-OD1 3.46Å; D354-S356 PolarHBondContact O-N 3.34Å; D354-H509 IonicContact OD1-ND1 3.8Å; D354-H509 IonicContact OD2-CE1 3.29Å; D354-H509 IonicContact OD2-ND1 3.54Å; D354-H509 PolarHBondContact OD2-ND1 3.09Å
355	A	88.8	Confident	92.5	Very high	20 Å²	20	51 Å²	51	17%	0.165	27%	0.266	C	S	.	.			trans	-71.3	127.5	-170.6	0	0	0	0	0	112.4	H351 K359 A360	H351-A355 HydrophobicContact CB-CB 4.05Å; A355-K359 HydrophobicContact CB-CB 4.41Å; A355-K359 HydrophobicContact CB-CD 4Å; A355-K359 HydrophobicContact CB-CG 4.32Å; A355-A360 HydrophobicContact CB-CB 4.21Å
356	S	92.3	Very high	92.3	Very high	73 Å²	73	53.9 Å²	53.9	51%	0.51	28%	0.279	S	S	.	.			trans	-57.5	153.8	170.6	70.5	0	0	0	0	111.7	D354 E358 K359 A360	D354-S356 PolarHBondContact O-N 3.34Å; S356-E358 VanDerWaalsContact C-N 3.26Å; S356-E358 PolarHBondContact O-N 2.99Å; S356-K359 WeakPolarHBondContact O-CA 3.4Å; S356-K359 WeakPolarHBondContact O-CB 3.47Å; S356-K359 PolarHBondContact O-N 2.9Å; S356-K359 WeakPolarHBondContact OG-CB 3.47Å; S356-K359 PolarHBondContact OG-N 3.06Å; S356-A360 WeakPolarHBondContact O-CB 3.26Å; S356-A360 PolarHBondContact O-N 2.83Å
357	E	92.5	Very high	92	Very high	178 Å²	178	54.2 Å²	54.2	83%	0.832	28%	0.281	S	S	*	.	H	α-helix	trans	-53.4	-41.3	-177.9	-63.2	-177.4	174.6	0	0	112.8	A361	E357-A361 WeakPolarHBondContact O-CB 3.47Å; E357-A361 PolarHBondContact O-N 3.18Å
358	E	92.5	Very high	91.8	Very high	95 Å²	95	60.5 Å²	60.5	44%	0.444	31%	0.309	S	S	.	.	H	α-helix	trans	-64	-42.6	175.5	-173.4	-173.4	167.3	0	0	111.9	S231 S356 N362	S231-E358 WeakPolarHBondContact CB-OE1 3.44Å; S231-E358 PolarHBondContact OG-OE1 3.38Å; S356-E358 VanDerWaalsContact C-N 3.26Å; S356-E358 PolarHBondContact O-N 2.99Å; E358-N362 VanDerWaalsContact O-CB 3.3Å; E358-N362 WeakPolarHBondContact O-CB 3.26Å; E358-N362 PolarHBondContact O-N 3.39Å; E358-N362 PolarHBondContact O-ND2 3.26Å
359	K	89.6	Confident	91.7	Very high	32 Å²	32	63.9 Å²	63.9	14%	0.139	32%	0.321	C	S	.	.	H	α-helix	trans	-66.9	-47.8	179	-174.8	-174.5	-176.7	154.7	0	110.9	E228 A355 S356 N362 Q363 H509	E228-K359 VanDerWaalsContact OE1-CE 3.25Å; E228-K359 WeakPolarHBondContact OE1-CE 3.4Å; E228-K359 IonicContact OE1-NZ 3.37Å; E228-K359 PolarHBondContact OE1-NZ 3.47Å; E228-K359 WeakPolarHBondContact OE2-CD 3.21Å; E228-K359 WeakPolarHBondContact OE2-CE 3.39Å; E228-K359 IonicContact OE2-NZ 2.69Å; E228-K359 PolarHBondContact OE2-NZ 2.87Å; A355-K359 HydrophobicContact CB-CB 4.41Å; A355-K359 HydrophobicContact CB-CD 4Å; A355-K359 HydrophobicContact CB-CG 4.32Å; S356-K359 WeakPolarHBondContact O-CA 3.4Å; S356-K359 WeakPolarHBondContact O-CB 3.47Å; S356-K359 PolarHBondContact O-N 2.9Å; S356-K359 WeakPolarHBondContact OG-CB 3.47Å; S356-K359 PolarHBondContact OG-N 3.06Å; K359-N362 WeakPolarHBondContact O-CB 3.44Å; K359-N362 PolarHBondContact O-N 3.25Å; K359-Q363 PolarHBondContact O-N 2.71Å; K359-Q363 PolarHBondContact O-OE1 2.74Å; K359-H509 PolarHBondContact NZ-CE1 3.27Å; K359-H509 PolarHBondContact NZ-NE2 3.24Å
360	A	92.6	Very high	91.8	Very high	13 Å²	13	61 Å²	61	11%	0.107	31%	0.311	C	S	.	.	H	α-helix	trans	-59.3	-51.5	177.1	0	0	0	0	0	111.1	H351 A355 S356 N362 Q363 I364	H351-A360 HydrophobicContact CB-CB 4.08Å; A355-A360 HydrophobicContact CB-CB 4.21Å; S356-A360 WeakPolarHBondContact O-CB 3.26Å; S356-A360 PolarHBondContact O-N 2.83Å; A360-N362 VanDerWaalsContact C-N 3.27Å; A360-N362 PolarHBondContact O-N 3.5Å; A360-Q363 PolarHBondContact O-N 2.99Å; A360-I364 WeakPolarHBondContact O-CB 3.24Å; A360-I364 VanDerWaalsContact O-CG1 3.24Å; A360-I364 WeakPolarHBondContact O-CG1 3.39Å; A360-I364 PolarHBondContact O-N 3Å
361	A	93.8	Very high	92	Very high	57 Å²	57	61 Å²	61	47%	0.471	31%	0.312	S	S	.	.	H	α-helix	trans	-57.5	-39.4	176.1	0	0	0	0	0	112.3	E357 R365	E357-A361 WeakPolarHBondContact O-CB 3.47Å; E357-A361 PolarHBondContact O-N 3.18Å; A361-R365 VanDerWaalsContact O-CB 3.26Å; A361-R365 WeakPolarHBondContact O-CB 3.41Å; A361-R365 PolarHBondContact O-N 3.36Å
362	N	91.9	Very high	92.2	Very high	43 Å²	43	59.1 Å²	59.1	23%	0.23	30%	0.303	C	S	.	.	H	α-helix	trans	-67.6	-36.5	175	-85.3	-57.5	0	0	0	113.5	E358 K359 A360 R365 K366	E358-N362 VanDerWaalsContact O-CB 3.3Å; E358-N362 WeakPolarHBondContact O-CB 3.26Å; E358-N362 PolarHBondContact O-N 3.39Å; E358-N362 PolarHBondContact O-ND2 3.26Å; K359-N362 WeakPolarHBondContact O-CB 3.44Å; K359-N362 PolarHBondContact O-N 3.25Å; A360-N362 VanDerWaalsContact C-N 3.27Å; A360-N362 PolarHBondContact O-N 3.5Å; N362-R365 PolarHBondContact OD1-NH2 3.43Å; N362-K366 VanDerWaalsContact O-CD 3.27Å; N362-K366 WeakPolarHBondContact O-CD 3.47Å; N362-K366 WeakPolarHBondContact O-CG 3.38Å; N362-K366 PolarHBondContact O-N 3.03Å
363	Q	92.3	Very high	92.5	Very high	13 Å²	13	61.3 Å²	61.3	6%	0.061	32%	0.321	C	S	.	.	H	α-helix	trans	-73.7	-41.9	175.8	-78.6	166.9	-50.7	0	0	111.9	Q350 H351 K359 A360 K366 C367 S451	Q350-Q363 VanDerWaalsContact O-CD 3.28Å; Q350-Q363 PolarHBondContact O-NE2 3.34Å; H351-Q363 VanDerWaalsContact CA-OE1 3.28Å; H351-Q363 HydrophobicContact CB-CB 4Å; K359-Q363 PolarHBondContact O-N 2.71Å; K359-Q363 PolarHBondContact O-OE1 2.74Å; A360-Q363 PolarHBondContact O-N 2.99Å; Q363-K366 PolarHBondContact O-N 2.93Å; Q363-C367 PolarHBondContact O-N 3.14Å; Q363-S451 PolarHBondContact NE2-OG 3.35Å
364	I	93.4	Very high	92.9	Very high	64 Å²	64	63.7 Å²	63.7	33%	0.328	34%	0.337	S	S	.	.	H	α-helix	trans	-57.6	-51.5	173.5	-69	163.8	0	0	0	110	A360 K366 C367 Q368	A360-I364 WeakPolarHBondContact O-CB 3.24Å; A360-I364 VanDerWaalsContact O-CG1 3.24Å; A360-I364 WeakPolarHBondContact O-CG1 3.39Å; A360-I364 PolarHBondContact O-N 3Å; I364-K366 PolarHBondContact O-N 3.34Å; I364-C367 WeakPolarHBondContact O-CB 3.42Å; I364-C367 PolarHBondContact O-N 3.36Å; I364-Q368 HydrophobicContact CG2-CG 4.33Å; I364-Q368 WeakPolarHBondContact O-CG 3.36Å; I364-Q368 PolarHBondContact O-N 3.01Å
365	R	93.9	Very high	93.5	Very high	128 Å²	128	59.3 Å²	59.3	48%	0.483	31%	0.313	S	S	.	.	H	α-helix	trans	-57.1	-44.8	176.5	178.6	173.1	61.6	129.3	-6.1	112.4	A361 N362 C367 Q368 Q369	A361-R365 VanDerWaalsContact O-CB 3.26Å; A361-R365 WeakPolarHBondContact O-CB 3.41Å; A361-R365 PolarHBondContact O-N 3.36Å; N362-R365 PolarHBondContact OD1-NH2 3.43Å; R365-C367 VanDerWaalsContact C-N 3.29Å; R365-C367 PolarHBondContact O-N 3.15Å; R365-Q368 PolarHBondContact O-N 3.41Å; R365-Q369 HydrophobicContact CG-CG 4.39Å; R365-Q369 VanDerWaalsContact O-CB 3.31Å; R365-Q369 WeakPolarHBondContact O-CB 3.39Å; R365-Q369 VanDerWaalsContact O-CG 3.24Å; R365-Q369 WeakPolarHBondContact O-CG 3.22Å; R365-Q369 PolarHBondContact O-N 3.04Å
366	K	92.2	Very high	93.9	Very high	77 Å²	77	58.3 Å²	58.3	34%	0.335	31%	0.305	S	S	.	.	H	α-helix	trans	-62.6	-35.8	176.2	-72.4	162.1	-165.1	166.5	0	112.3	N362 Q363 I364 S370	N362-K366 VanDerWaalsContact O-CD 3.27Å; N362-K366 WeakPolarHBondContact O-CD 3.47Å; N362-K366 WeakPolarHBondContact O-CG 3.38Å; N362-K366 PolarHBondContact O-N 3.03Å; Q363-K366 PolarHBondContact O-N 2.93Å; I364-K366 PolarHBondContact O-N 3.34Å; K366-S370 WeakPolarHBondContact O-CB 3.34Å; K366-S370 PolarHBondContact O-OG 3.08Å
367	C	92.2	Very high	94.1	Very high	7 Å²	7	54.9 Å²	54.9	5%	0.047	28%	0.281	C	S	.	.	H	α-helix	trans	-68.1	-54.3	177.1	-167.7	0	0	0	0	110.7	T348 Q363 I364 R365 Q369 S370 S372 A373	T348-C367 PolarHBondContact O-SG 2.77Å; Q363-C367 PolarHBondContact O-N 3.14Å; I364-C367 WeakPolarHBondContact O-CB 3.42Å; I364-C367 PolarHBondContact O-N 3.36Å; R365-C367 VanDerWaalsContact C-N 3.29Å; R365-C367 PolarHBondContact O-N 3.15Å; C367-Q369 VanDerWaalsContact C-N 3.27Å; C367-Q369 PolarHBondContact O-N 3.44Å; C367-S370 PolarHBondContact O-N 3.15Å; C367-S370 VanDerWaalsContact O-O 3.04Å; C367-S370 PolarHBondContact O-OG 2.85Å; C367-S372 WeakPolarHBondContact SG-CB 2.89Å; C367-A373 WeakPolarHBondContact O-CB 3.42Å
368	Q	92.7	Very high	94.4	Very high	138 Å²	138	47 Å²	47	65%	0.645	24%	0.244	S	C	*	.	H	α-helix	trans	-57.4	-34.5	179.2	-71.5	173	-22	0	0	113.7	I364 R365 S370	I364-Q368 HydrophobicContact CG2-CG 4.33Å; I364-Q368 WeakPolarHBondContact O-CG 3.36Å; I364-Q368 PolarHBondContact O-N 3.01Å; R365-Q368 PolarHBondContact O-N 3.41Å; Q368-S370 PolarHBondContact O-N 3.15Å
369	Q	92.9	Very high	94.6	Very high	132 Å²	132	42.5 Å²	42.5	62%	0.617	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	17.6	178.1	-67.1	-179.5	-27.5	0	0	113.4	R365 C367	R365-Q369 HydrophobicContact CG-CG 4.39Å; R365-Q369 VanDerWaalsContact O-CB 3.31Å; R365-Q369 WeakPolarHBondContact O-CB 3.39Å; R365-Q369 VanDerWaalsContact O-CG 3.24Å; R365-Q369 WeakPolarHBondContact O-CG 3.22Å; R365-Q369 PolarHBondContact O-N 3.04Å; C367-Q369 VanDerWaalsContact C-N 3.27Å; C367-Q369 PolarHBondContact O-N 3.44Å
370	S	95.2	Very high	94.7	Very high	11 Å²	11	41.6 Å²	41.6	8%	0.077	22%	0.22	C	C	.	.	S	Bend	trans	-148.4	169.7	-175.4	71.8	0	0	0	0	112	K366 C367 Q368 S372 A373 R378	K366-S370 WeakPolarHBondContact O-CB 3.34Å; K366-S370 PolarHBondContact O-OG 3.08Å; C367-S370 PolarHBondContact O-N 3.15Å; C367-S370 VanDerWaalsContact O-O 3.04Å; C367-S370 PolarHBondContact O-OG 2.85Å; Q368-S370 PolarHBondContact O-N 3.15Å; S370-S372 PolarHBondContact O-N 2.73Å; S370-S372 VanDerWaalsContact O-N 3.07Å; S370-S372 PolarHBondContact OG-N 3.07Å; S370-A373 PolarHBondContact O-N 2.68Å; S370-R378 PolarHBondContact OG-NH1 2.98Å
371	T	96.8	Very high	94.7	Very high	5 Å²	5	41 Å²	41	3%	0.031	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-21.5	174	53.4	0	0	0	0	114.2	A373 V374 I375 V377 R378 L403 S404 F408	T371-A373 PolarHBondContact O-N 2.78Å; T371-A373 VanDerWaalsContact O-N 3.13Å; T371-V374 PolarHBondContact O-N 2.59Å; T371-I375 HydrophobicContact CG2-CD1 4.46Å; T371-I375 VanDerWaalsContact O-CG1 3.3Å; T371-I375 WeakPolarHBondContact O-CG1 3.43Å; T371-I375 PolarHBondContact O-N 2.76Å; T371-V377 CarbonylContact C-O 3.58Å; T371-V377 VanDerWaalsContact C-O 3.25Å; T371-V377 VanDerWaalsContact CB-O 3.29Å; T371-V377 WeakPolarHBondContact CB-O 3.45Å; T371-V377 PolarHBondContact OG1-O 2.83Å; T371-R378 WeakPolarHBondContact OG1-CA 3.35Å; T371-R378 WeakPolarHBondContact OG1-CB 3.49Å; T371-L403 WeakPolarHBondContact CG2-O 3.48Å; T371-S404 WeakPolarHBondContact CG2-O 3.03Å; T371-F408 HydrophobicContact CG2-CB 4.08Å
372	S	96.8	Very high	94.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-56.3	-30.6	177.8	-60.9	0	0	0	0	113.8	T348 Q350 C367 S370 G376 V377 R378	T348-S372 WeakPolarHBondContact CA-O 3.39Å; Q350-S372 PolarHBondContact NE2-OG 2.95Å; Q350-S372 VanDerWaalsContact NE2-OG 3.09Å; C367-S372 WeakPolarHBondContact SG-CB 2.89Å; S370-S372 PolarHBondContact O-N 2.73Å; S370-S372 VanDerWaalsContact O-N 3.07Å; S370-S372 PolarHBondContact OG-N 3.07Å; S372-G376 VanDerWaalsContact O-CA 3.3Å; S372-G376 WeakPolarHBondContact O-CA 3.42Å; S372-G376 PolarHBondContact O-N 3.41Å; S372-V377 PolarHBondContact N-O 2.87Å; S372-R378 WeakPolarHBondContact OG-CD 3.25Å; S372-R378 VanDerWaalsContact OG-CG 3.3Å; S372-R378 WeakPolarHBondContact OG-CG 3.48Å; S372-R378 PolarHBondContact OG-NH1 2.91Å
373	A	95.6	Very high	94.8	Very high	49 Å²	49	36.4 Å²	36.4	41%	0.405	18%	0.183	S	C	.	.	H	α-helix	trans	-77	-21.5	177.8	0	0	0	0	0	113.9	C367 S370 T371	C367-A373 WeakPolarHBondContact O-CB 3.42Å; S370-A373 PolarHBondContact O-N 2.68Å; T371-A373 PolarHBondContact O-N 2.78Å; T371-A373 VanDerWaalsContact O-N 3.13Å
374	V	96.9	Very high	94.9	Very high	94 Å²	94	35.8 Å²	35.8	57%	0.57	18%	0.18	S	C	*	.	H	α-helix	trans	-104.1	-44.2	-173.9	-174.5	0	0	0	0	111.7	T371 V405 F531	T371-V374 PolarHBondContact O-N 2.59Å; V374-V405 HydrophobicContact CB-CG2 4.33Å; V374-V405 HydrophobicContact CG1-CG2 3.99Å; V374-F531 WeakPolarHBondContact O-CE1 3.29Å; V374-F531 WeakPolarHBondContact O-CZ 3.25Å
375	I	97.8	Very high	94.9	Very high	16 Å²	16	34.8 Å²	34.8	8%	0.082	17%	0.172	C	C	.	.	H	α-helix	trans	-122.4	13	-174.7	61.4	165.6	0	0	0	113	T371 V377 V405 F408 S535 I539	T371-I375 HydrophobicContact CG2-CD1 4.46Å; T371-I375 VanDerWaalsContact O-CG1 3.3Å; T371-I375 WeakPolarHBondContact O-CG1 3.43Å; T371-I375 PolarHBondContact O-N 2.76Å; I375-V377 HydrophobicContact CD1-CG1 3.74Å; I375-V377 HydrophobicContact CG1-CG1 3.95Å; I375-V377 PolarHBondContact O-N 3.02Å; I375-V405 HydrophobicContact CG2-CG1 4.12Å; I375-V405 HydrophobicContact CG2-CG2 4Å; I375-F408 HydrophobicContact CD1-CD1 3.64Å; I375-F408 HydrophobicContact CD1-CE1 3.97Å; I375-F408 HydrophobicContact CD1-CG 4.04Å; I375-S535 WeakPolarHBondContact O-CB 3.47Å; I375-S535 PolarHBondContact O-OG 2.82Å; I375-I539 HydrophobicContact CD1-CD1 4.09Å
376	G	97.6	Very high	94.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	66.8	0.4	176.4	0	0	0	0	0	116.3	M346 G347 S372	M346-G376 CarbonylContact C-O 3.56Å; G347-G376 CarbonylContact C-O 3.43Å; G347-G376 PolarHBondContact N-O 3.17Å; S372-G376 VanDerWaalsContact O-CA 3.3Å; S372-G376 WeakPolarHBondContact O-CA 3.42Å; S372-G376 PolarHBondContact O-N 3.41Å
377	V	98.1	Very high	94.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	152.1	-177.3	64.9	0	0	0	0	112	L344 K345 M346 T371 S372 I375 F408	L344-V377 HydrophobicContact CB-CG2 3.88Å; L344-V377 HydrophobicContact CD1-CG2 4.12Å; L344-V377 HydrophobicContact CD2-CG2 4.36Å; L344-V377 HydrophobicContact CG-CG2 4.35Å; K345-V377 CarbonylContact O-C 3.52Å; K345-V377 WeakPolarHBondContact O-CA 3.25Å; M346-V377 HydrophobicContact CE-CB 4.43Å; M346-V377 HydrophobicContact CE-CG2 4.29Å; M346-V377 HydrophobicContact SD-CB 4.18Å; M346-V377 HydrophobicContact SD-CG2 3.55Å; M346-V377 VanDerWaalsContact SD-CG2 3.55Å; T371-V377 CarbonylContact C-O 3.58Å; T371-V377 VanDerWaalsContact C-O 3.25Å; T371-V377 VanDerWaalsContact CB-O 3.29Å; T371-V377 WeakPolarHBondContact CB-O 3.45Å; T371-V377 PolarHBondContact OG1-O 2.83Å; S372-V377 PolarHBondContact N-O 2.87Å; I375-V377 HydrophobicContact CD1-CG1 3.74Å; I375-V377 HydrophobicContact CG1-CG1 3.95Å; I375-V377 PolarHBondContact O-N 3.02Å; V377-F408 HydrophobicContact CB-CZ 4.3Å; V377-F408 HydrophobicContact CG1-CE1 3.79Å; V377-F408 HydrophobicContact CG1-CE2 4.19Å; V377-F408 HydrophobicContact CG1-CZ 3.51Å; V377-F408 HydrophobicContact CG2-CE2 4.18Å; V377-F408 HydrophobicContact CG2-CZ 3.83Å
378	R	97.3	Very high	94	Very high	12 Å²	12	28.4 Å²	28.4	5%	0.045	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	159.2	167.4	73	174.8	175.1	-102.6	-13.3	112.7	L344 K345 S370 T371 S372 C380	L344-R378 CarbonylContact C-O 3.56Å; L344-R378 WeakPolarHBondContact CA-O 3.32Å; K345-R378 HydrophobicContact CB-CG 3.9Å; K345-R378 PolarHBondContact N-O 2.93Å; K345-R378 PolarHBondContact O-N 3.4Å; S370-R378 PolarHBondContact OG-NH1 2.98Å; T371-R378 WeakPolarHBondContact OG1-CA 3.35Å; T371-R378 WeakPolarHBondContact OG1-CB 3.49Å; S372-R378 WeakPolarHBondContact OG-CD 3.25Å; S372-R378 VanDerWaalsContact OG-CG 3.3Å; S372-R378 WeakPolarHBondContact OG-CG 3.48Å; S372-R378 PolarHBondContact OG-NH1 2.91Å; R378-C380 PolarHBondContact O-N 2.89Å
379	V	96.4	Very high	93.6	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	126.4	170.5	-177.2	0	0	0	0	110.8	L342 L344 M382 M395 G400 L403 F408 A411	L342-V379 HydrophobicContact CD1-CG1 4.12Å; L342-V379 HydrophobicContact CD1-CG2 4.36Å; L344-V379 HydrophobicContact CD2-CG2 4.13Å; V379-M382 HydrophobicContact CG1-CB 4.49Å; V379-M395 HydrophobicContact CG1-SD 4Å; V379-G400 CarbonylContact O-C 3.6Å; V379-G400 WeakPolarHBondContact O-CA 3.15Å; V379-L403 HydrophobicContact CB-CD1 4.29Å; V379-L403 HydrophobicContact CG2-CD1 4.02Å; V379-F408 HydrophobicContact CG2-CD2 3.84Å; V379-F408 HydrophobicContact CG2-CE2 3.84Å; V379-A411 HydrophobicContact CG2-CB 4.15Å
380	C	93	Very high	93.2	Very high	13 Å²	13	19.4 Å²	19.4	9%	0.088	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-21.5	174.4	-118.1	0	0	0	0	112.7	D343 K345 R378 K397	D343-C380 HydrophobicContact CB-CB 4.42Å; D343-C380 WeakPolarHBondContact O-CA 3.39Å; D343-C380 WeakPolarHBondContact O-CB 3.44Å; D343-C380 PolarHBondContact O-N 2.89Å; D343-C380 WeakPolarHBondContact OD1-CB 3.4Å; K345-C380 HydrophobicContact CB-CB 4.43Å; R378-C380 PolarHBondContact O-N 2.89Å; C380-K397 WeakPolarHBondContact O-CA 3.38Å; C380-K397 VanDerWaalsContact O-CB 3.27Å; C380-K397 WeakPolarHBondContact O-CB 3.43Å; C380-K397 PolarHBondContact O-N 3.18Å
381	G	92.5	Very high	92.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.5	150.4	169.4	0	0	0	0	0	111.3	V149 D343 M395	V149-G381 WeakPolarHBondContact O-CA 3.47Å; D343-G381 PolarHBondContact N-O 3.05Å; D343-G381 PolarHBondContact O-N 2.76Å; D343-G381 VanDerWaalsContact O-N 3.17Å; G381-M395 CarbonylContact C-O 3.55Å; G381-M395 WeakPolarHBondContact CA-O 3.2Å
382	M	93.8	Very high	92.3	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	141.5	178.3	-167.8	171.8	62.5	0	0	111.2	V341 L342 V379 V384 M393 F394 M395 F415	V341-M382 CarbonylContact O-C 3.5Å; V341-M382 VanDerWaalsContact O-CA 3.31Å; V341-M382 WeakPolarHBondContact O-CA 3.23Å; L342-M382 HydrophobicContact CD1-CB 4.06Å; L342-M382 HydrophobicContact CD1-CG 3.97Å; L342-M382 HydrophobicContact CD1-SD 4.09Å; V379-M382 HydrophobicContact CG1-CB 4.49Å; M382-V384 HydrophobicContact CE-CG2 4.48Å; M382-V384 HydrophobicContact CG-CG2 3.83Å; M382-V384 HydrophobicContact SD-CG2 4Å; M382-M393 HydrophobicContact CE-CE 3.76Å; M382-F394 WeakPolarHBondContact O-CA 3.48Å; M382-M395 HydrophobicContact CB-CB 3.89Å; M382-M395 HydrophobicContact CE-CB 3.86Å; M382-M395 HydrophobicContact CE-CE 3.81Å; M382-M395 HydrophobicContact CE-SD 4.29Å; M382-M395 PolarHBondContact N-O 2.84Å; M382-M395 PolarHBondContact O-N 3.4Å; M382-F415 HydrophobicContact CG-CD2 3.85Å; M382-F415 HydrophobicContact SD-CB 3.71Å; M382-F415 HydrophobicContact SD-CD2 3.98Å; M382-F415 HydrophobicContact SD-CG 4.28Å
383	Q	93.1	Very high	92	Very high	3 Å²	3	21.9 Å²	21.9	1%	0.014	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	122.8	170.3	172.6	-178.1	-56.3	0	0	107.8	V149 P339 C340 V341 L392 M393 F394	V149-Q383 HydrophobicContact CG1-CB 3.48Å; V149-Q383 VanDerWaalsContact CG1-CB 3.48Å; P339-Q383 PolarHBondContact O-NE2 3.1Å; C340-Q383 CarbonylContact C-O 3.56Å; C340-Q383 VanDerWaalsContact CA-O 3.23Å; C340-Q383 WeakPolarHBondContact CA-O 3.47Å; V341-Q383 PolarHBondContact N-O 3.12Å; V341-Q383 PolarHBondContact O-N 2.86Å; Q383-L392 HydrophobicContact CG-CD2 4.08Å; Q383-M393 CarbonylContact C-O 3.42Å; Q383-M393 WeakPolarHBondContact CA-O 3.39Å; Q383-F394 HydrophobicContact CB-CD1 3.97Å; Q383-F394 HydrophobicContact CB-CE1 3.81Å; Q383-F394 HydrophobicContact CG-CD1 4.17Å; Q383-F394 HydrophobicContact CG-CE1 3.57Å; Q383-F394 HydrophobicContact CG-CZ 3.97Å; Q383-F394 VanDerWaalsContact OE1-CE1 3.26Å
384	V	94	Very high	91.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138	-178.4	-179.6	0	0	0	0	109.6	M382 L392 M393 F415	M382-V384 HydrophobicContact CE-CG2 4.48Å; M382-V384 HydrophobicContact CG-CG2 3.83Å; M382-V384 HydrophobicContact SD-CG2 4Å; V384-L392 CarbonylContact O-C 3.57Å; V384-L392 WeakPolarHBondContact O-CA 3.42Å; V384-M393 HydrophobicContact CB-CB 4.41Å; V384-M393 HydrophobicContact CB-CE 4.03Å; V384-M393 HydrophobicContact CG2-CE 3.99Å; V384-M393 PolarHBondContact N-O 3.05Å; V384-M393 PolarHBondContact O-N 2.82Å; V384-F415 HydrophobicContact CG2-CD2 3.7Å; V384-F415 HydrophobicContact CG2-CE2 4.41Å
385	Y	93.5	Very high	91.3	Very high	43 Å²	43	16.1 Å²	16.1	17%	0.169	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	121	172.7	-178.1	-112.1	0	0	0	111.5	V286 V338 C340 A387 L392 G460	V286-Y385 HydrophobicContact CG2-CD2 4.36Å; V286-Y385 HydrophobicContact CG2-CE2 3.93Å; V338-Y385 HydrophobicContact CG1-CD1 4.45Å; V338-Y385 HydrophobicContact CG1-CD2 3.71Å; V338-Y385 HydrophobicContact CG1-CE2 4.39Å; V338-Y385 HydrophobicContact CG1-CG 3.73Å; C340-Y385 PolarHBondContact SG-N 3.27Å; Y385-A387 HydrophobicContact CD1-CB 4.29Å; Y385-A387 HydrophobicContact CE1-CB 3.96Å; Y385-A387 PolarHBondContact O-N 2.9Å; Y385-L392 HydrophobicContact CD2-CD2 4.15Å; Y385-G460 WeakPolarHBondContact CD1-O 3.46Å
386	Q	90.7	Very high	90.8	Very high	19 Å²	19	17.8 Å²	17.8	9%	0.089	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	89.7	175.5	-61	-65.4	-20.6	0	0	108.7	Y283 G388 S389 G390 Q391 M393 N418	Y283-Q386 HydrophobicContact CE1-CG 4.28Å; Q386-G388 PolarHBondContact O-N 3.1Å; Q386-G388 VanDerWaalsContact O-N 3.17Å; Q386-S389 PolarHBondContact O-N 2.83Å; Q386-S389 VanDerWaalsContact O-N 3.14Å; Q386-G390 WeakPolarHBondContact O-CA 3.34Å; Q386-G390 PolarHBondContact O-N 3Å; Q386-Q391 WeakPolarHBondContact CB-O 3.46Å; Q386-Q391 PolarHBondContact N-O 3.43Å; Q386-Q391 PolarHBondContact O-N 2.84Å; Q386-M393 HydrophobicContact CG-CB 3.93Å; Q386-M393 PolarHBondContact NE2-SD 2.79Å; Q386-N418 CarbonylContact C-O 3.48Å; Q386-N418 WeakPolarHBondContact CA-O 3.35Å
387	A	87.9	Confident	90.3	Very high	19 Å²	19	18.1 Å²	18.1	16%	0.157	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-21.4	174.9	0	0	0	0	0	113.3	Y385 N418 R420	Y385-A387 HydrophobicContact CD1-CB 4.29Å; Y385-A387 HydrophobicContact CE1-CB 3.96Å; Y385-A387 PolarHBondContact O-N 2.9Å; A387-N418 HydrophobicContact CB-CB 4.2Å; A387-N418 PolarHBondContact N-O 3.32Å; A387-R420 PolarHBondContact O-NE 3.01Å; A387-R420 PolarHBondContact O-NH2 3.2Å
388	G	81.4	Confident	89.8	Confident	40 Å²	40	23.8 Å²	23.8	41%	0.412	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-56.3	167.4	0	0	0	0	0	113.2	Q386 N418	Q386-G388 PolarHBondContact O-N 3.1Å; Q386-G388 VanDerWaalsContact O-N 3.17Å; G388-N418 PolarHBondContact N-O 2.98Å
389	S	84.4	Confident	89.4	Confident	64 Å²	64	25.1 Å²	25.1	45%	0.448	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-8.6	-174.3	57.5	0	0	0	0	114.7	Q386 Q391	Q386-S389 PolarHBondContact O-N 2.83Å; Q386-S389 VanDerWaalsContact O-N 3.14Å; S389-Q391 VanDerWaalsContact C-N 3.33Å; S389-Q391 WeakPolarHBondContact OG-CB 3.36Å; S389-Q391 WeakPolarHBondContact OG-CG 3.23Å; S389-Q391 PolarHBondContact OG-OE1 2.82Å
390	G	84.6	Confident	89.2	Confident	17 Å²	17	25.1 Å²	25.1	18%	0.175	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	30.2	-170.5	0	0	0	0	0	112.8	V286 Q386	V286-G390 WeakPolarHBondContact CB-O 3.34Å; V286-G390 WeakPolarHBondContact CG2-O 3.35Å; V286-G390 PolarHBondContact N-O 3.4Å; Q386-G390 WeakPolarHBondContact O-CA 3.34Å; Q386-G390 PolarHBondContact O-N 3Å
391	Q	86.7	Confident	89.1	Confident	50 Å²	50	26.9 Å²	26.9	23%	0.234	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	152	-174.5	-60.1	-177.1	-46.1	0	0	112.8	Y284 T285 Q386 S389	Y284-Q391 CarbonylContact O-C 3.6Å; Y284-Q391 WeakPolarHBondContact O-CA 3.36Å; Y284-Q391 WeakPolarHBondContact O-CB 3.31Å; T285-Q391 PolarHBondContact OG1-NE2 2.95Å; T285-Q391 VanDerWaalsContact OG1-NE2 3.17Å; Q386-Q391 WeakPolarHBondContact CB-O 3.46Å; Q386-Q391 PolarHBondContact N-O 3.43Å; Q386-Q391 PolarHBondContact O-N 2.84Å; S389-Q391 VanDerWaalsContact C-N 3.33Å; S389-Q391 WeakPolarHBondContact OG-CB 3.36Å; S389-Q391 WeakPolarHBondContact OG-CG 3.23Å; S389-Q391 PolarHBondContact OG-OE1 2.82Å
392	L	87.3	Confident	89.2	Confident	14 Å²	14	34.8 Å²	34.8	7%	0.073	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.3	167.5	-70.7	169.4	0	0	0	110.2	Y283 Y284 V286 V338 Q383 V384 Y385 F394	Y283-L392 CarbonylContact C-O 3.49Å; Y283-L392 VanDerWaalsContact CA-O 3.31Å; Y283-L392 WeakPolarHBondContact CA-O 3.38Å; Y284-L392 PolarHBondContact N-O 2.91Å; Y284-L392 PolarHBondContact O-N 3.33Å; V286-L392 HydrophobicContact CG2-CG 4.35Å; V338-L392 HydrophobicContact CG1-CD2 4.08Å; Q383-L392 HydrophobicContact CG-CD2 4.08Å; V384-L392 CarbonylContact O-C 3.57Å; V384-L392 WeakPolarHBondContact O-CA 3.42Å; Y385-L392 HydrophobicContact CD2-CD2 4.15Å; L392-F394 HydrophobicContact CB-CD2 4.33Å; L392-F394 HydrophobicContact CB-CE2 3.47Å; L392-F394 VanDerWaalsContact CB-CE2 3.47Å; L392-F394 HydrophobicContact CB-CZ 3.86Å; L392-F394 HydrophobicContact CD1-CZ 4.22Å; L392-F394 WeakPolarHBondContact O-CD2 3.1Å
393	M	89.4	Confident	89.2	Confident	5 Å²	5	35.8 Å²	35.8	3%	0.025	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.2	175.9	-174.9	-174.9	81.3	0	0	110.1	V281 L282 Y283 M382 Q383 V384 Q386 Q414	V281-M393 HydrophobicContact CG1-CG 3.24Å; V281-M393 HydrophobicContact CG1-SD 3.98Å; L282-M393 CarbonylContact O-C 3.55Å; L282-M393 WeakPolarHBondContact O-CA 3.39Å; Y283-M393 HydrophobicContact CD1-CB 4.17Å; Y283-M393 HydrophobicContact CD1-CG 4.33Å; Y283-M393 HydrophobicContact CE1-CB 3.94Å; Y283-M393 HydrophobicContact CE1-CG 3.76Å; Y283-M393 HydrophobicContact CE1-SD 4.18Å; M382-M393 HydrophobicContact CE-CE 3.76Å; Q383-M393 CarbonylContact C-O 3.42Å; Q383-M393 WeakPolarHBondContact CA-O 3.39Å; V384-M393 HydrophobicContact CB-CB 4.41Å; V384-M393 HydrophobicContact CB-CE 4.03Å; V384-M393 HydrophobicContact CG2-CE 3.99Å; V384-M393 PolarHBondContact N-O 3.05Å; V384-M393 PolarHBondContact O-N 2.82Å; Q386-M393 HydrophobicContact CG-CB 3.93Å; Q386-M393 PolarHBondContact NE2-SD 2.79Å; M393-Q414 HydrophobicContact CE-CB 4.02Å
394	F	88.8	Confident	89.4	Confident	13 Å²	13	39 Å²	39	6%	0.057	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.9	-176.4	-65.8	-91.8	0	0	0	113.8	L282 Y284 N300 M382 Q383 L392	L282-F394 HydrophobicContact CB-CB 4.46Å; L282-F394 PolarHBondContact N-O 2.8Å; L282-F394 PolarHBondContact O-N 3.08Å; Y284-F394 AromaticContact CD2-CD2 3.57Å; Y284-F394 HydrophobicContact CD2-CD2 3.57Å; Y284-F394 AromaticContact CD2-CE2 3.46Å; Y284-F394 HydrophobicContact CD2-CE2 3.46Å; Y284-F394 VanDerWaalsContact CD2-CE2 3.46Å; Y284-F394 HydrophobicContact CE2-CD2 4.02Å; Y284-F394 HydrophobicContact CE2-CE2 4.21Å; Y284-F394 HydrophobicContact CG-CE2 4.22Å; N300-F394 HydrophobicContact CB-CD1 4.16Å; N300-F394 HydrophobicContact CB-CE1 3.57Å; N300-F394 HydrophobicContact CB-CZ 4.21Å; N300-F394 WeakPolarHBondContact ND2-CD1 3.38Å; M382-F394 WeakPolarHBondContact O-CA 3.48Å; Q383-F394 HydrophobicContact CB-CD1 3.97Å; Q383-F394 HydrophobicContact CB-CE1 3.81Å; Q383-F394 HydrophobicContact CG-CD1 4.17Å; Q383-F394 HydrophobicContact CG-CE1 3.57Å; Q383-F394 HydrophobicContact CG-CZ 3.97Å; Q383-F394 VanDerWaalsContact OE1-CE1 3.26Å; L392-F394 HydrophobicContact CB-CD2 4.33Å; L392-F394 HydrophobicContact CB-CE2 3.47Å; L392-F394 VanDerWaalsContact CB-CE2 3.47Å; L392-F394 HydrophobicContact CB-CZ 3.86Å; L392-F394 HydrophobicContact CD1-CZ 4.22Å; L392-F394 WeakPolarHBondContact O-CD2 3.1Å
395	M	88.9	Confident	89.5	Confident	9 Å²	9	41.4 Å²	41.4	4%	0.044	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	135	168.4	-168.1	-170.9	-76.6	0	0	109.9	V379 G381 M382 H399 L403 A411	V379-M395 HydrophobicContact CG1-SD 4Å; G381-M395 CarbonylContact C-O 3.55Å; G381-M395 WeakPolarHBondContact CA-O 3.2Å; M382-M395 HydrophobicContact CB-CB 3.89Å; M382-M395 HydrophobicContact CE-CB 3.86Å; M382-M395 HydrophobicContact CE-CE 3.81Å; M382-M395 HydrophobicContact CE-SD 4.29Å; M382-M395 PolarHBondContact N-O 2.84Å; M382-M395 PolarHBondContact O-N 3.4Å; M395-H399 HydrophobicContact CG-CB 3.82Å; M395-H399 VanDerWaalsContact SD-CD2 3.51Å; M395-L403 HydrophobicContact SD-CD1 4.15Å; M395-A411 HydrophobicContact CE-CB 3.97Å; M395-A411 HydrophobicContact SD-CB 4.36Å
396	N	87.1	Confident	89.6	Confident	51 Å²	51	44.1 Å²	44.1	27%	0.273	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	164.1	-177.5	68.9	62.7	0	0	0	112.5	Y398 H399 G400	N396-Y398 PolarHBondContact O-N 2.78Å; N396-Y398 WeakPolarHBondContact OD1-CA 3.38Å; N396-Y398 VanDerWaalsContact OD1-CB 3.29Å; N396-Y398 WeakPolarHBondContact OD1-CB 3.39Å; N396-Y398 PolarHBondContact OD1-N 2.78Å; N396-H399 PolarHBondContact O-N 3.31Å; N396-H399 PolarHBondContact OD1-N 3.03Å; N396-G400 PolarHBondContact O-N 2.77Å
397	K	86.7	Confident	89.9	Confident	7 Å²	7	43.6 Å²	43.6	3%	0.03	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-17.1	177.7	61	-170.7	170.4	-168	0	116.9	G151 H152 C380 R401	G151-K397 PolarHBondContact O-NZ 3.02Å; H152-K397 PolarHBondContact CD2-NZ 3.16Å; H152-K397 VanDerWaalsContact CD2-NZ 3.32Å; H152-K397 PolarHBondContact CE1-NZ 3.45Å; H152-K397 VanDerWaalsContact CE1-NZ 3.26Å; H152-K397 PolarHBondContact NE2-NZ 2.66Å; C380-K397 WeakPolarHBondContact O-CA 3.38Å; C380-K397 VanDerWaalsContact O-CB 3.27Å; C380-K397 WeakPolarHBondContact O-CB 3.43Å; C380-K397 PolarHBondContact O-N 3.18Å; K397-R401 WeakPolarHBondContact O-CB 3.46Å; K397-R401 VanDerWaalsContact O-CG 3.3Å; K397-R401 WeakPolarHBondContact O-CG 3.49Å; K397-R401 PolarHBondContact O-N 3.3Å; K397-R401 PolarHBondContact O-NE 3.14Å; K397-R401 VanDerWaalsContact O-NE 3.09Å; K397-R401 PolarHBondContact O-NH2 3.23Å
398	Y	89.3	Confident	90.3	Very high	118 Å²	118	42.7 Å²	42.7	46%	0.463	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-36	176.5	-59	-102.6	0	0	0	111	W302 N396 R401 K402	W302-Y398 HydrophobicContact CH2-CD2 4.22Å; W302-Y398 AromaticContact CH2-CE2 3.34Å; W302-Y398 HydrophobicContact CH2-CE2 3.34Å; W302-Y398 AromaticContact CH2-CZ 3.98Å; W302-Y398 AromaticContact CZ2-CE2 3.73Å; W302-Y398 HydrophobicContact CZ2-CE2 3.73Å; W302-Y398 HydrophobicContact CZ3-CD2 4.42Å; W302-Y398 AromaticContact CZ3-CE2 3.95Å; W302-Y398 HydrophobicContact CZ3-CE2 3.95Å; N396-Y398 PolarHBondContact O-N 2.78Å; N396-Y398 WeakPolarHBondContact OD1-CA 3.38Å; N396-Y398 VanDerWaalsContact OD1-CB 3.29Å; N396-Y398 WeakPolarHBondContact OD1-CB 3.39Å; N396-Y398 PolarHBondContact OD1-N 2.78Å; Y398-R401 VanDerWaalsContact CE1-NH2 3.29Å; Y398-R401 VanDerWaalsContact CG-NH2 3.3Å; Y398-K402 WeakPolarHBondContact O-CG 3.25Å
399	H	87.9	Confident	91.1	Very high	41 Å²	41	42.7 Å²	42.7	19%	0.19	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-52.9	168.7	-170.7	109.8	0	0	0	110.1	E280 M395 N396 R401 K402	E280-H399 PolarHBondContact O-ND1 3.29Å; E280-H399 VanDerWaalsContact O-ND1 3.16Å; M395-H399 HydrophobicContact CG-CB 3.82Å; M395-H399 VanDerWaalsContact SD-CD2 3.51Å; N396-H399 PolarHBondContact O-N 3.31Å; N396-H399 PolarHBondContact OD1-N 3.03Å; H399-R401 PolarHBondContact O-N 2.8Å; H399-K402 WeakPolarHBondContact O-CB 3.26Å; H399-K402 PolarHBondContact O-N 2.68Å
400	G	92.1	Very high	91.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-21.6	-178.9	0	0	0	0	0	115.5	V379 N396	V379-G400 CarbonylContact O-C 3.6Å; V379-G400 WeakPolarHBondContact O-CA 3.15Å; N396-G400 PolarHBondContact O-N 2.77Å
401	R	91.6	Very high	92.2	Very high	50 Å²	50	43.5 Å²	43.5	19%	0.189	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-24.5	171.1	-85.1	-174.3	-64.1	-105.8	-1.7	114.5	K397 Y398 H399	K397-R401 WeakPolarHBondContact O-CB 3.46Å; K397-R401 VanDerWaalsContact O-CG 3.3Å; K397-R401 WeakPolarHBondContact O-CG 3.49Å; K397-R401 PolarHBondContact O-N 3.3Å; K397-R401 PolarHBondContact O-NE 3.14Å; K397-R401 VanDerWaalsContact O-NE 3.09Å; K397-R401 PolarHBondContact O-NH2 3.23Å; Y398-R401 VanDerWaalsContact CE1-NH2 3.29Å; Y398-R401 VanDerWaalsContact CG-NH2 3.3Å; H399-R401 PolarHBondContact O-N 2.8Å
402	K	93.3	Very high	92.7	Very high	167 Å²	167	41.2 Å²	41.2	73%	0.726	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-13.1	-179.8	-67.8	176.4	177.4	-174.1	0	113.2	Y398 H399	Y398-K402 WeakPolarHBondContact O-CG 3.25Å; H399-K402 WeakPolarHBondContact O-CB 3.26Å; H399-K402 PolarHBondContact O-N 2.68Å
403	L	94.6	Very high	93.1	Very high	22 Å²	22	44.2 Å²	44.2	12%	0.115	21%	0.212	C	C	.	.			trans	-61.1	139	-177.3	-61.6	177.9	0	0	0	111	T371 V379 M395 A411	T371-L403 WeakPolarHBondContact CG2-O 3.48Å; V379-L403 HydrophobicContact CB-CD1 4.29Å; V379-L403 HydrophobicContact CG2-CD1 4.02Å; M395-L403 HydrophobicContact SD-CD1 4.15Å; L403-A411 HydrophobicContact CD1-CB 3.9Å
404	S	96.8	Very high	93.3	Very high	71 Å²	71	47.4 Å²	47.4	50%	0.497	23%	0.226	S	C	.	.			trans	-76.9	176.8	161	65.2	0	0	0	0	109.9	T371 Q406 G407 F408	T371-S404 WeakPolarHBondContact CG2-O 3.03Å; S404-Q406 VanDerWaalsContact C-N 3.27Å; S404-Q406 PolarHBondContact O-N 3.23Å; S404-Q406 PolarHBondContact OG-N 2.8Å; S404-G407 PolarHBondContact O-N 3.44Å; S404-G407 PolarHBondContact OG-N 3.43Å; S404-F408 WeakPolarHBondContact O-CB 3.05Å; S404-F408 PolarHBondContact O-N 2.81Å
405	V	96.6	Very high	93.7	Very high	49 Å²	49	46.8 Å²	46.8	30%	0.297	22%	0.223	S	C	.	.	H	α-helix	trans	-58.5	-42.7	171.6	177.6	0	0	0	0	110.6	V374 I375 F408 K409	V374-V405 HydrophobicContact CB-CG2 4.33Å; V374-V405 HydrophobicContact CG1-CG2 3.99Å; I375-V405 HydrophobicContact CG2-CG1 4.12Å; I375-V405 HydrophobicContact CG2-CG2 4Å; V405-F408 WeakPolarHBondContact O-CB 3.27Å; V405-F408 PolarHBondContact O-N 2.9Å; V405-K409 PolarHBondContact O-N 3.48Å; V405-K409 VanDerWaalsContact O-N 3.1Å
406	Q	95.8	Very high	94.1	Very high	101 Å²	101	46.5 Å²	46.5	47%	0.472	22%	0.222	S	C	.	.	H	α-helix	trans	-63.6	-46.4	175.7	-173.4	59.4	25.6	0	0	112.1	S404 F408 K409 E410	S404-Q406 VanDerWaalsContact C-N 3.27Å; S404-Q406 PolarHBondContact O-N 3.23Å; S404-Q406 PolarHBondContact OG-N 2.8Å; Q406-F408 PolarHBondContact O-N 2.96Å; Q406-K409 WeakPolarHBondContact O-CB 3.47Å; Q406-K409 PolarHBondContact O-N 2.73Å; Q406-E410 WeakPolarHBondContact CG-OE1 3.24Å; Q406-E410 WeakPolarHBondContact O-CG 3.15Å; Q406-E410 PolarHBondContact O-N 3.28Å
407	G	96.1	Very high	94.4	Very high	8 Å²	8	46.4 Å²	46.4	8%	0.082	22%	0.22	C	C	.	.	H	α-helix	trans	-62.6	-23.4	175.7	0	0	0	0	0	113.5	S404 A411	S404-G407 PolarHBondContact O-N 3.44Å; S404-G407 PolarHBondContact OG-N 3.43Å; G407-A411 VanDerWaalsContact O-CB 3.31Å; G407-A411 WeakPolarHBondContact O-CB 3.31Å; G407-A411 PolarHBondContact O-N 3.03Å
408	F	97.6	Very high	94.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-75	-40	171	179.8	-89.6	0	0	0	112.2	L344 T371 I375 V377 V379 S404 V405 Q406 A411 L412 L536 I539	L344-F408 HydrophobicContact CD2-CE2 3.92Å; L344-F408 HydrophobicContact CD2-CZ 4.15Å; T371-F408 HydrophobicContact CG2-CB 4.08Å; I375-F408 HydrophobicContact CD1-CD1 3.64Å; I375-F408 HydrophobicContact CD1-CE1 3.97Å; I375-F408 HydrophobicContact CD1-CG 4.04Å; V377-F408 HydrophobicContact CB-CZ 4.3Å; V377-F408 HydrophobicContact CG1-CE1 3.79Å; V377-F408 HydrophobicContact CG1-CE2 4.19Å; V377-F408 HydrophobicContact CG1-CZ 3.51Å; V377-F408 HydrophobicContact CG2-CE2 4.18Å; V377-F408 HydrophobicContact CG2-CZ 3.83Å; V379-F408 HydrophobicContact CG2-CD2 3.84Å; V379-F408 HydrophobicContact CG2-CE2 3.84Å; S404-F408 WeakPolarHBondContact O-CB 3.05Å; S404-F408 PolarHBondContact O-N 2.81Å; V405-F408 WeakPolarHBondContact O-CB 3.27Å; V405-F408 PolarHBondContact O-N 2.9Å; Q406-F408 PolarHBondContact O-N 2.96Å; F408-A411 PolarHBondContact O-N 3.06Å; F408-L412 HydrophobicContact CD1-CD1 4.06Å; F408-L412 HydrophobicContact CE1-CD1 3.46Å; F408-L412 VanDerWaalsContact CE1-CD1 3.46Å; F408-L412 HydrophobicContact CE1-CG 4.11Å; F408-L412 HydrophobicContact CZ-CD1 3.97Å; F408-L412 HydrophobicContact CZ-CG 4.31Å; F408-L412 PolarHBondContact O-N 3.21Å; F408-L536 HydrophobicContact CE1-CD1 4.41Å; F408-L536 HydrophobicContact CZ-CD1 4.3Å; F408-I539 HydrophobicContact CD1-CD1 3.92Å; F408-I539 HydrophobicContact CE1-CD1 4.03Å
409	K	96.8	Very high	94.6	Very high	40 Å²	40	42.2 Å²	42.2	17%	0.174	21%	0.214	C	C	.	.	H	α-helix	trans	-59.6	-47.5	170.1	-55.4	-166.8	-175.6	-177.6	0	111	V405 Q406 A411 L412 F413 I539 E542	V405-K409 PolarHBondContact O-N 3.48Å; V405-K409 VanDerWaalsContact O-N 3.1Å; Q406-K409 WeakPolarHBondContact O-CB 3.47Å; Q406-K409 PolarHBondContact O-N 2.73Å; K409-A411 VanDerWaalsContact C-N 3.33Å; K409-A411 PolarHBondContact O-N 3.34Å; K409-L412 WeakPolarHBondContact O-CB 3.46Å; K409-L412 PolarHBondContact O-N 3.22Å; K409-L412 VanDerWaalsContact O-N 3.1Å; K409-F413 PolarHBondContact O-N 3.26Å; K409-I539 HydrophobicContact CB-CG2 4.16Å; K409-I539 HydrophobicContact CD-CG2 4.43Å; K409-I539 HydrophobicContact CG-CD1 4.39Å; K409-I539 HydrophobicContact CG-CG1 4.34Å; K409-I539 HydrophobicContact CG-CG2 3.78Å; K409-E542 WeakPolarHBondContact CD-OE2 3.47Å; K409-E542 WeakPolarHBondContact CE-OE2 3.28Å; K409-E542 IonicContact NZ-OE1 2.69Å; K409-E542 PolarHBondContact NZ-OE1 3.18Å; K409-E542 IonicContact NZ-OE2 2.68Å; K409-E542 PolarHBondContact NZ-OE2 3.47Å
410	E	95.6	Very high	94.7	Very high	97 Å²	97	48.4 Å²	48.4	45%	0.453	24%	0.236	S	C	.	.	H	α-helix	trans	-59.2	-40.9	176.1	-69.4	165.2	-168	0	0	112.2	Q406 L412 F413 Q414	Q406-E410 WeakPolarHBondContact CG-OE1 3.24Å; Q406-E410 WeakPolarHBondContact O-CG 3.15Å; Q406-E410 PolarHBondContact O-N 3.28Å; E410-L412 VanDerWaalsContact C-N 3.34Å; E410-L412 PolarHBondContact O-N 3.18Å; E410-F413 PolarHBondContact O-N 3.09Å; E410-Q414 WeakPolarHBondContact O-CB 3.3Å; E410-Q414 VanDerWaalsContact O-CG 3.25Å; E410-Q414 WeakPolarHBondContact O-CG 3.46Å; E410-Q414 PolarHBondContact O-N 3.38Å
411	A	96.4	Very high	94.7	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.008	26%	0.256	C	S	.	.	H	α-helix	trans	-65.5	-34.7	175.4	0	0	0	0	0	112.8	V379 M395 L403 G407 F408 K409 F415	V379-A411 HydrophobicContact CG2-CB 4.15Å; M395-A411 HydrophobicContact CE-CB 3.97Å; M395-A411 HydrophobicContact SD-CB 4.36Å; L403-A411 HydrophobicContact CD1-CB 3.9Å; G407-A411 VanDerWaalsContact O-CB 3.31Å; G407-A411 WeakPolarHBondContact O-CB 3.31Å; G407-A411 PolarHBondContact O-N 3.03Å; F408-A411 PolarHBondContact O-N 3.06Å; K409-A411 VanDerWaalsContact C-N 3.33Å; K409-A411 PolarHBondContact O-N 3.34Å; A411-F415 WeakPolarHBondContact O-CB 3.5Å; A411-F415 PolarHBondContact O-N 3.28Å
412	L	97.6	Very high	94.7	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-71.3	-41	172.8	-73.6	178.7	0	0	0	112.3	L342 F408 K409 E410 Q414 F415 F416 L536 I539 V540 I543	L342-L412 HydrophobicContact CD2-CD2 3.54Å; F408-L412 HydrophobicContact CD1-CD1 4.06Å; F408-L412 HydrophobicContact CE1-CD1 3.46Å; F408-L412 VanDerWaalsContact CE1-CD1 3.46Å; F408-L412 HydrophobicContact CE1-CG 4.11Å; F408-L412 HydrophobicContact CZ-CD1 3.97Å; F408-L412 HydrophobicContact CZ-CG 4.31Å; F408-L412 PolarHBondContact O-N 3.21Å; K409-L412 WeakPolarHBondContact O-CB 3.46Å; K409-L412 PolarHBondContact O-N 3.22Å; K409-L412 VanDerWaalsContact O-N 3.1Å; E410-L412 VanDerWaalsContact C-N 3.34Å; E410-L412 PolarHBondContact O-N 3.18Å; L412-Q414 VanDerWaalsContact C-N 3.34Å; L412-Q414 PolarHBondContact O-N 3.31Å; L412-F415 WeakPolarHBondContact O-CB 3.18Å; L412-F415 PolarHBondContact O-N 2.93Å; L412-F415 VanDerWaalsContact O-N 3.09Å; L412-F416 WeakPolarHBondContact O-CD2 3.44Å; L412-F416 PolarHBondContact O-N 3.3Å; L412-L536 HydrophobicContact CD1-CD1 3.65Å; L412-L536 HydrophobicContact CD2-CD1 4.25Å; L412-I539 HydrophobicContact CD1-CB 4.42Å; L412-I539 HydrophobicContact CD1-CG2 3.67Å; L412-V540 HydrophobicContact CD1-CG2 4.23Å; L412-I543 HydrophobicContact CB-CD1 3.7Å
413	F	96.1	Very high	94.7	Very high	77 Å²	77	44.2 Å²	44.2	34%	0.338	22%	0.217	S	C	.	.	H	α-helix	trans	-58.8	-48.1	172.2	-175.8	-82.6	0	0	0	110.6	K409 E410 F415 F416 H417 L422 I543	K409-F413 PolarHBondContact O-N 3.26Å; E410-F413 PolarHBondContact O-N 3.09Å; F413-F415 VanDerWaalsContact C-N 3.25Å; F413-F415 PolarHBondContact O-N 2.83Å; F413-F416 PolarHBondContact O-N 2.96Å; F413-F416 VanDerWaalsContact O-N 3.14Å; F413-H417 HydrophobicContact CD1-CB 4.37Å; F413-H417 HydrophobicContact CE1-CB 4.23Å; F413-H417 AromaticContact CE1-CD2 3.8Å; F413-H417 VanDerWaalsContact O-CB 3.31Å; F413-H417 WeakPolarHBondContact O-CB 3.15Å; F413-H417 PolarHBondContact O-N 2.98Å; F413-L422 HydrophobicContact CD2-CD1 4.1Å; F413-L422 HydrophobicContact CD2-CD2 4.44Å; F413-L422 HydrophobicContact CE2-CD1 4.05Å; F413-L422 HydrophobicContact CE2-CD2 3.98Å; F413-L422 HydrophobicContact CE2-CG 4.43Å; F413-L422 HydrophobicContact CZ-CD1 4.39Å; F413-I543 HydrophobicContact CD2-CG2 4.23Å
414	Q	94.8	Very high	94.6	Very high	71 Å²	71	48.4 Å²	48.4	33%	0.332	23%	0.231	S	C	.	.	H	α-helix	trans	-60.1	-32.1	173.4	-74.6	174.9	21	0	0	113	M393 E410 L412 F416 H417	M393-Q414 HydrophobicContact CE-CB 4.02Å; E410-Q414 WeakPolarHBondContact O-CB 3.3Å; E410-Q414 VanDerWaalsContact O-CG 3.25Å; E410-Q414 WeakPolarHBondContact O-CG 3.46Å; E410-Q414 PolarHBondContact O-N 3.38Å; L412-Q414 VanDerWaalsContact C-N 3.34Å; L412-Q414 PolarHBondContact O-N 3.31Å; Q414-F416 VanDerWaalsContact C-N 3.35Å; Q414-H417 PolarHBondContact O-N 3.29Å
415	F	97.1	Very high	94.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-37.2	175.4	-179.1	-114.1	0	0	0	112.5	C340 L342 M382 V384 A411 L412 F413 V456 Y458	C340-F415 HydrophobicContact CB-CE2 4.27Å; L342-F415 HydrophobicContact CB-CD1 4.17Å; L342-F415 HydrophobicContact CB-CD2 3.69Å; L342-F415 HydrophobicContact CB-CE1 3.94Å; L342-F415 HydrophobicContact CB-CE2 3.47Å; L342-F415 VanDerWaalsContact CB-CE2 3.47Å; L342-F415 HydrophobicContact CB-CG 4.05Å; L342-F415 HydrophobicContact CB-CZ 3.58Å; L342-F415 HydrophobicContact CD2-CB 4.44Å; L342-F415 HydrophobicContact CD2-CD1 3.81Å; L342-F415 HydrophobicContact CD2-CD2 4.43Å; L342-F415 HydrophobicContact CD2-CE1 4.16Å; L342-F415 HydrophobicContact CD2-CG 3.95Å; L342-F415 HydrophobicContact CG-CD2 4.47Å; L342-F415 HydrophobicContact CG-CG 4.46Å; M382-F415 HydrophobicContact CG-CD2 3.85Å; M382-F415 HydrophobicContact SD-CB 3.71Å; M382-F415 HydrophobicContact SD-CD2 3.98Å; M382-F415 HydrophobicContact SD-CG 4.28Å; V384-F415 HydrophobicContact CG2-CD2 3.7Å; V384-F415 HydrophobicContact CG2-CE2 4.41Å; A411-F415 WeakPolarHBondContact O-CB 3.5Å; A411-F415 PolarHBondContact O-N 3.28Å; L412-F415 WeakPolarHBondContact O-CB 3.18Å; L412-F415 PolarHBondContact O-N 2.93Å; L412-F415 VanDerWaalsContact O-N 3.09Å; F413-F415 VanDerWaalsContact C-N 3.25Å; F413-F415 PolarHBondContact O-N 2.83Å; F415-V456 HydrophobicContact CE1-CB 4.07Å; F415-V456 HydrophobicContact CE1-CG1 3.74Å; F415-V456 HydrophobicContact CZ-CB 4.31Å; F415-V456 HydrophobicContact CZ-CG1 4.23Å; F415-Y458 HydrophobicContact CD1-CE1 4.34Å; F415-Y458 HydrophobicContact CD2-CE1 4.41Å; F415-Y458 AromaticContact CE1-CD1 3.94Å; F415-Y458 HydrophobicContact CE1-CD1 3.94Å; F415-Y458 AromaticContact CE1-CE1 3.79Å; F415-Y458 HydrophobicContact CE1-CE1 3.79Å; F415-Y458 HydrophobicContact CE2-CD1 4.38Å; F415-Y458 AromaticContact CE2-CE1 3.85Å; F415-Y458 HydrophobicContact CE2-CE1 3.85Å; F415-Y458 AromaticContact CZ-CD1 3.67Å; F415-Y458 HydrophobicContact CZ-CD1 3.67Å; F415-Y458 AromaticContact CZ-CE1 3.52Å; F415-Y458 HydrophobicContact CZ-CE1 3.52Å; F415-Y458 WeakPolarHBondContact O-CE1 3.27Å; F415-Y458 PolarHBondContact O-OH 2.71Å
416	F	96.2	Very high	94.3	Very high	3 Å²	3	46.4 Å²	46.4	1%	0.013	21%	0.211	C	C	.	.	H	α-helix	trans	-94.5	0.1	179.3	-62.3	-66.1	0	0	0	113.9	L412 F413 Q414 L422 R423 L426 L427 V430 Y458 V540	L412-F416 WeakPolarHBondContact O-CD2 3.44Å; L412-F416 PolarHBondContact O-N 3.3Å; F413-F416 PolarHBondContact O-N 2.96Å; F413-F416 VanDerWaalsContact O-N 3.14Å; Q414-F416 VanDerWaalsContact C-N 3.35Å; F416-L422 HydrophobicContact CB-CD1 3.74Å; F416-R423 VanDerWaalsContact O-CB 3.23Å; F416-R423 WeakPolarHBondContact O-CB 3.31Å; F416-R423 WeakPolarHBondContact O-CG 3.5Å; F416-R423 PolarHBondContact O-N 2.79Å; F416-L426 HydrophobicContact CD1-CB 4.04Å; F416-L426 HydrophobicContact CD1-CD1 4.07Å; F416-L426 HydrophobicContact CE1-CB 4.25Å; F416-L427 HydrophobicContact CB-CD2 4.25Å; F416-L427 HydrophobicContact CD1-CD2 4.14Å; F416-L427 HydrophobicContact CD2-CD2 3.48Å; F416-L427 VanDerWaalsContact CD2-CD2 3.48Å; F416-L427 HydrophobicContact CE1-CD2 4.38Å; F416-L427 HydrophobicContact CE2-CD2 3.76Å; F416-L427 HydrophobicContact CG-CD2 3.69Å; F416-L427 HydrophobicContact CZ-CD2 4.21Å; F416-V430 HydrophobicContact CE1-CG2 3.95Å; F416-V430 HydrophobicContact CZ-CG1 4.38Å; F416-V430 HydrophobicContact CZ-CG2 3.96Å; F416-Y458 HydrophobicContact CD1-CE1 4.5Å; F416-V540 HydrophobicContact CE2-CG2 4.49Å
417	H	93.8	Very high	94.3	Very high	50 Å²	50	41.6 Å²	41.6	23%	0.231	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-98.4	117.8	-178.1	-167.8	-91.1	0	0	0	112	F413 Q414 G419 Y421 L422	F413-H417 HydrophobicContact CD1-CB 4.37Å; F413-H417 HydrophobicContact CE1-CB 4.23Å; F413-H417 AromaticContact CE1-CD2 3.8Å; F413-H417 VanDerWaalsContact O-CB 3.31Å; F413-H417 WeakPolarHBondContact O-CB 3.15Å; F413-H417 PolarHBondContact O-N 2.98Å; Q414-H417 PolarHBondContact O-N 3.29Å; H417-G419 WeakPolarHBondContact ND1-CA 3.41Å; H417-G419 PolarHBondContact ND1-N 2.94Å; H417-G419 VanDerWaalsContact ND1-N 3.16Å; H417-G419 PolarHBondContact O-N 2.86Å; H417-Y421 PolarHBondContact CD2-O 2.91Å; H417-Y421 WeakPolarHBondContact NE2-CA 3.31Å; H417-L422 PolarHBondContact CD2-N 3.16Å
418	N	91.4	Very high	94.3	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.011	20%	0.204	C	C	.	.			trans	-79.8	8.3	-177.1	74.6	0.6	0	0	0	114.2	Q386 A387 G388 R420 Y421 R423 E462	Q386-N418 CarbonylContact C-O 3.48Å; Q386-N418 WeakPolarHBondContact CA-O 3.35Å; A387-N418 HydrophobicContact CB-CB 4.2Å; A387-N418 PolarHBondContact N-O 3.32Å; G388-N418 PolarHBondContact N-O 2.98Å; N418-R420 VanDerWaalsContact C-N 3.31Å; N418-R420 WeakPolarHBondContact OD1-CA 3.15Å; N418-R420 WeakPolarHBondContact OD1-CB 3.38Å; N418-R420 PolarHBondContact OD1-N 3.29Å; N418-Y421 PolarHBondContact N-O 2.8Å; N418-Y421 VanDerWaalsContact N-O 3.09Å; N418-Y421 WeakPolarHBondContact ND2-CE1 3.38Å; N418-Y421 PolarHBondContact OD1-N 2.93Å; N418-Y421 PolarHBondContact OD1-O 3.17Å; N418-Y421 VanDerWaalsContact OD1-O 3.08Å; N418-R423 HydrophobicContact CB-CG 4.03Å; N418-E462 PolarHBondContact ND2-OE1 3.49Å
419	G	89.1	Confident	94.3	Very high	34 Å²	34	45.7 Å²	45.7	35%	0.351	22%	0.221	S	C	.	.	S	Bend	trans	85.2	-0.2	-177.2	0	0	0	0	0	114.8	H417	H417-G419 WeakPolarHBondContact ND1-CA 3.41Å; H417-G419 PolarHBondContact ND1-N 2.94Å; H417-G419 VanDerWaalsContact ND1-N 3.16Å; H417-G419 PolarHBondContact O-N 2.86Å
420	R	89.8	Confident	94.3	Very high	172 Å²	172	43.9 Å²	43.9	65%	0.649	21%	0.213	S	C	*	.	S	Bend	trans	-123.4	-41.6	170.5	-58.3	-178	-173.5	-174.5	1.6	111.3	A387 N418	A387-R420 PolarHBondContact O-NE 3.01Å; A387-R420 PolarHBondContact O-NH2 3.2Å; N418-R420 VanDerWaalsContact C-N 3.31Å; N418-R420 WeakPolarHBondContact OD1-CA 3.15Å; N418-R420 WeakPolarHBondContact OD1-CB 3.38Å; N418-R420 PolarHBondContact OD1-N 3.29Å
421	Y	91.5	Very high	94.4	Very high	108 Å²	108	40.6 Å²	40.6	42%	0.424	20%	0.199	S	C	.	.	S	Bend	trans	-155.4	165.8	179.9	62.8	-88	0	0	0	112	H417 N418 E462	H417-Y421 PolarHBondContact CD2-O 2.91Å; H417-Y421 WeakPolarHBondContact NE2-CA 3.31Å; N418-Y421 PolarHBondContact N-O 2.8Å; N418-Y421 VanDerWaalsContact N-O 3.09Å; N418-Y421 WeakPolarHBondContact ND2-CE1 3.38Å; N418-Y421 PolarHBondContact OD1-N 2.93Å; N418-Y421 PolarHBondContact OD1-O 3.17Å; N418-Y421 VanDerWaalsContact OD1-O 3.08Å; Y421-E462 PolarHBondContact OH-OE2 2.91Å; Y421-E462 VanDerWaalsContact OH-OE2 3.11Å
422	L	92.7	Very high	94.5	Very high	12 Å²	12	47 Å²	47	6%	0.063	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-76.9	123.7	174.2	-176.6	69.1	0	0	0	110.4	F413 F416 H417 R424 L427 I543	F413-L422 HydrophobicContact CD2-CD1 4.1Å; F413-L422 HydrophobicContact CD2-CD2 4.44Å; F413-L422 HydrophobicContact CE2-CD1 4.05Å; F413-L422 HydrophobicContact CE2-CD2 3.98Å; F413-L422 HydrophobicContact CE2-CG 4.43Å; F413-L422 HydrophobicContact CZ-CD1 4.39Å; F416-L422 HydrophobicContact CB-CD1 3.74Å; H417-L422 PolarHBondContact CD2-N 3.16Å; L422-R424 HydrophobicContact CD2-CG 4.22Å; L422-R424 HydrophobicContact CG-CG 4.32Å; L422-R424 PolarHBondContact O-N 3.24Å; L422-L427 HydrophobicContact CD2-CD1 4.37Å; L422-I543 HydrophobicContact CD1-CG2 4.49Å; L422-I543 HydrophobicContact CD2-CG2 4.17Å
423	R	92.9	Very high	94.5	Very high	8 Å²	8	49.8 Å²	49.8	3%	0.03	24%	0.238	C	C	.	.			trans	-78.5	68.3	179.7	-62.8	-71.4	-60.6	-74.7	-18.7	111.3	F416 N418 E425 L426 E462	F416-R423 VanDerWaalsContact O-CB 3.23Å; F416-R423 WeakPolarHBondContact O-CB 3.31Å; F416-R423 WeakPolarHBondContact O-CG 3.5Å; F416-R423 PolarHBondContact O-N 2.79Å; N418-R423 HydrophobicContact CB-CG 4.03Å; R423-E425 WeakPolarHBondContact CA-OE2 3.42Å; R423-E425 IonicContact CZ-OE1 3.46Å; R423-E425 IonicContact NE-OE1 2.71Å; R423-E425 PolarHBondContact NE-OE1 3.38Å; R423-E425 IonicContact NE-OE2 3.22Å; R423-E425 IonicContact NH2-OE1 3.25Å; R423-E425 PolarHBondContact NH2-OE1 2.88Å; R423-E425 PolarHBondContact O-N 3.47Å; R423-L426 HydrophobicContact CB-CD1 3.49Å; R423-L426 VanDerWaalsContact CB-CD1 3.49Å; R423-L426 HydrophobicContact CB-CG 3.89Å; R423-L426 HydrophobicContact CG-CD1 4.33Å; R423-L426 WeakPolarHBondContact O-CB 3.11Å; R423-L426 WeakPolarHBondContact O-CG 3.21Å; R423-L426 PolarHBondContact O-N 3.08Å; R423-L426 VanDerWaalsContact O-N 3.09Å; R423-E462 WeakPolarHBondContact CD-OE1 3.49Å; R423-E462 IonicContact CZ-OE1 2.72Å; R423-E462 IonicContact NE-OE1 3.29Å; R423-E462 VanDerWaalsContact NH1-CG 3.33Å; R423-E462 IonicContact NH1-OE1 2.74Å; R423-E462 PolarHBondContact NH1-OE1 3.12Å
424	R	91.9	Very high	94.6	Very high	111 Å²	111	46.1 Å²	46.1	42%	0.419	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-56	-32.5	-175.5	-65.6	173.5	-164.3	-88.3	-5.2	113.8	L422 L426 L427 S547	L422-R424 HydrophobicContact CD2-CG 4.22Å; L422-R424 HydrophobicContact CG-CG 4.32Å; L422-R424 PolarHBondContact O-N 3.24Å; R424-L426 PolarHBondContact O-N 2.95Å; R424-L426 VanDerWaalsContact O-N 3.08Å; R424-L427 WeakPolarHBondContact O-CB 3.45Å; R424-L427 PolarHBondContact O-N 2.94Å; R424-S547 VanDerWaalsContact NH1-CB 3.26Å; R424-S547 PolarHBondContact NH1-O 3.26Å; R424-S547 PolarHBondContact NH2-O 3.21Å
425	E	92.7	Very high	94.8	Very high	76 Å²	76	46.3 Å²	46.3	36%	0.355	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-65.7	-12.3	-178.4	83	-64.1	164.8	0	0	112.6	R423 P429 S498	R423-E425 WeakPolarHBondContact CA-OE2 3.42Å; R423-E425 IonicContact CZ-OE1 3.46Å; R423-E425 IonicContact NE-OE1 2.71Å; R423-E425 PolarHBondContact NE-OE1 3.38Å; R423-E425 IonicContact NE-OE2 3.22Å; R423-E425 IonicContact NH2-OE1 3.25Å; R423-E425 PolarHBondContact NH2-OE1 2.88Å; R423-E425 PolarHBondContact O-N 3.47Å; E425-P429 WeakPolarHBondContact O-CD 3.31Å; E425-P429 WeakPolarHBondContact O-CG 3.36Å; E425-S498 WeakPolarHBondContact CG-OG 3.33Å
426	L	95.3	Very high	94.8	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-83.4	-28.4	170.6	-51.5	176.7	0	0	0	113	F416 R423 R424 P429 V430 Y458 V500	F416-L426 HydrophobicContact CD1-CB 4.04Å; F416-L426 HydrophobicContact CD1-CD1 4.07Å; F416-L426 HydrophobicContact CE1-CB 4.25Å; R423-L426 HydrophobicContact CB-CD1 3.49Å; R423-L426 VanDerWaalsContact CB-CD1 3.49Å; R423-L426 HydrophobicContact CB-CG 3.89Å; R423-L426 HydrophobicContact CG-CD1 4.33Å; R423-L426 WeakPolarHBondContact O-CB 3.11Å; R423-L426 WeakPolarHBondContact O-CG 3.21Å; R423-L426 PolarHBondContact O-N 3.08Å; R423-L426 VanDerWaalsContact O-N 3.09Å; R424-L426 PolarHBondContact O-N 2.95Å; R424-L426 VanDerWaalsContact O-N 3.08Å; L426-P429 WeakPolarHBondContact O-CD 3.26Å; L426-V430 VanDerWaalsContact O-CG2 3.25Å; L426-V430 WeakPolarHBondContact O-CG2 3.45Å; L426-V430 PolarHBondContact O-N 3.17Å; L426-Y458 HydrophobicContact CD1-CD1 3.91Å; L426-Y458 HydrophobicContact CD1-CD2 3.4Å; L426-Y458 VanDerWaalsContact CD1-CD2 3.4Å; L426-Y458 HydrophobicContact CD1-CE1 4.02Å; L426-Y458 HydrophobicContact CD1-CE2 3.55Å; L426-Y458 HydrophobicContact CD1-CG 3.62Å; L426-Y458 HydrophobicContact CD2-CD2 4.2Å; L426-Y458 HydrophobicContact CD2-CG 4.28Å; L426-Y458 HydrophobicContact CG-CD2 4.47Å; L426-V500 HydrophobicContact CB-CG2 4.02Å; L426-V500 HydrophobicContact CD2-CG2 3.67Å; L426-V500 HydrophobicContact CG-CG2 4.43Å
427	L	95.9	Very high	94.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.5	-47.9	-170.9	-58.5	176	0	0	0	111.6	F416 L422 R424 V430 L431 V540 I543	F416-L427 HydrophobicContact CB-CD2 4.25Å; F416-L427 HydrophobicContact CD1-CD2 4.14Å; F416-L427 HydrophobicContact CD2-CD2 3.48Å; F416-L427 VanDerWaalsContact CD2-CD2 3.48Å; F416-L427 HydrophobicContact CE1-CD2 4.38Å; F416-L427 HydrophobicContact CE2-CD2 3.76Å; F416-L427 HydrophobicContact CG-CD2 3.69Å; F416-L427 HydrophobicContact CZ-CD2 4.21Å; L422-L427 HydrophobicContact CD2-CD1 4.37Å; R424-L427 WeakPolarHBondContact O-CB 3.45Å; R424-L427 PolarHBondContact O-N 2.94Å; L427-V430 WeakPolarHBondContact O-CB 3.5Å; L427-V430 PolarHBondContact O-N 3.17Å; L427-L431 WeakPolarHBondContact O-CB 3.13Å; L427-L431 WeakPolarHBondContact O-CG 3.41Å; L427-L431 PolarHBondContact O-N 2.93Å; L427-V540 HydrophobicContact CD2-CG1 4.09Å; L427-I543 HydrophobicContact CD1-CG2 4.25Å; L427-I543 HydrophobicContact CD2-CG2 4.42Å
428	G	95.7	Very high	95.1	Very high	41 Å²	41	48.8 Å²	48.8	42%	0.423	24%	0.239	S	C	.	.	H	α-helix	trans	-56.5	-52.6	176.4	0	0	0	0	0	113.5	V430 L431 K432	G428-V430 VanDerWaalsContact C-N 3.31Å; G428-V430 PolarHBondContact O-N 2.79Å; G428-L431 PolarHBondContact O-N 2.92Å; G428-K432 WeakPolarHBondContact O-CB 3.19Å; G428-K432 PolarHBondContact O-N 2.83Å
429	P	96.3	Very high	95.4	Very high	53 Å²	53	50.5 Å²	50.5	34%	0.344	25%	0.254	S	S	.	.	H	α-helix	trans	-56.9	-37.3	172.8	-29.3	36.5	0	0	0	114.7	E425 L426 K433 V500	E425-P429 WeakPolarHBondContact O-CD 3.31Å; E425-P429 WeakPolarHBondContact O-CG 3.36Å; L426-P429 WeakPolarHBondContact O-CD 3.26Å; P429-K433 PolarHBondContact O-N 3.24Å; P429-K433 VanDerWaalsContact O-N 3.16Å; P429-V500 HydrophobicContact CB-CB 4.37Å; P429-V500 HydrophobicContact CB-CG2 4.19Å
430	V	97.8	Very high	95.8	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-64.6	-54.2	173.9	169.5	0	0	0	0	110.8	F416 L426 L427 G428 K432 K433 L434 V456 V500 V540	F416-V430 HydrophobicContact CE1-CG2 3.95Å; F416-V430 HydrophobicContact CZ-CG1 4.38Å; F416-V430 HydrophobicContact CZ-CG2 3.96Å; L426-V430 VanDerWaalsContact O-CG2 3.25Å; L426-V430 WeakPolarHBondContact O-CG2 3.45Å; L426-V430 PolarHBondContact O-N 3.17Å; L427-V430 WeakPolarHBondContact O-CB 3.5Å; L427-V430 PolarHBondContact O-N 3.17Å; G428-V430 VanDerWaalsContact C-N 3.31Å; G428-V430 PolarHBondContact O-N 2.79Å; V430-K432 VanDerWaalsContact C-N 3.28Å; V430-K432 PolarHBondContact O-N 2.88Å; V430-K433 PolarHBondContact O-N 3.4Å; V430-K433 VanDerWaalsContact O-N 3.08Å; V430-L434 HydrophobicContact CG1-CD1 3.62Å; V430-L434 HydrophobicContact CG1-CG 4.03Å; V430-L434 WeakPolarHBondContact O-CG 3.38Å; V430-L434 PolarHBondContact O-N 3.11Å; V430-V456 HydrophobicContact CG2-CG1 4.11Å; V430-V500 HydrophobicContact CG2-CB 4.41Å; V430-V500 HydrophobicContact CG2-CG1 3.6Å; V430-V500 HydrophobicContact CG2-CG2 4.46Å; V430-V540 HydrophobicContact CG1-CG1 4.23Å
431	L	98	Very high	96.1	Very high	28 Å²	28	41.2 Å²	41.2	15%	0.147	21%	0.209	C	C	.	.	H	α-helix	trans	-56.9	-42.2	-178.5	-73.4	169.8	0	0	0	111.7	L427 G428 L434 T435 I537 V540 T541	L427-L431 WeakPolarHBondContact O-CB 3.13Å; L427-L431 WeakPolarHBondContact O-CG 3.41Å; L427-L431 PolarHBondContact O-N 2.93Å; G428-L431 PolarHBondContact O-N 2.92Å; L431-L434 PolarHBondContact O-N 2.77Å; L431-T435 WeakPolarHBondContact O-CB 3.43Å; L431-T435 PolarHBondContact O-N 3.38Å; L431-T435 PolarHBondContact O-OG1 2.95Å; L431-I537 HydrophobicContact CD2-CG2 4.16Å; L431-I537 WeakPolarHBondContact CD2-O 3.47Å; L431-V540 HydrophobicContact CD1-CG1 4.3Å; L431-V540 HydrophobicContact CD2-CB 3.78Å; L431-V540 HydrophobicContact CD2-CG1 3.69Å; L431-V540 HydrophobicContact CG-CB 4.41Å; L431-V540 HydrophobicContact CG-CG1 3.74Å; L431-T541 WeakPolarHBondContact CD2-OG1 3.31Å
432	K	97.4	Very high	96.3	Very high	136 Å²	136	39.5 Å²	39.5	59%	0.591	21%	0.205	S	C	*	.	H	α-helix	trans	-58.9	-52.1	173.6	-178.9	171	179.6	171.1	0	111.5	G428 V430 L434 T435 E436	G428-K432 WeakPolarHBondContact O-CB 3.19Å; G428-K432 PolarHBondContact O-N 2.83Å; V430-K432 VanDerWaalsContact C-N 3.28Å; V430-K432 PolarHBondContact O-N 2.88Å; K432-L434 PolarHBondContact O-N 2.57Å; K432-T435 PolarHBondContact O-N 2.96Å; K432-E436 WeakPolarHBondContact CE-OE1 3.14Å; K432-E436 WeakPolarHBondContact CG-OE1 3.3Å; K432-E436 WeakPolarHBondContact O-CG 3.3Å; K432-E436 PolarHBondContact O-N 3.18Å
433	K	97.9	Very high	96.4	Very high	60 Å²	60	45.3 Å²	45.3	26%	0.261	23%	0.226	S	C	.	.	H	α-helix	trans	-63.5	-38.3	179.7	-77.6	-170.1	166.9	-172.6	0	113	P429 V430 L437 V500 D501 V502	P429-K433 PolarHBondContact O-N 3.24Å; P429-K433 VanDerWaalsContact O-N 3.16Å; V430-K433 PolarHBondContact O-N 3.4Å; V430-K433 VanDerWaalsContact O-N 3.08Å; K433-L437 VanDerWaalsContact O-CB 3.29Å; K433-L437 WeakPolarHBondContact O-CB 3.15Å; K433-L437 PolarHBondContact O-N 2.87Å; K433-V500 PolarHBondContact NZ-O 2.85Å; K433-D501 IonicContact NZ-OD1 2.72Å; K433-D501 PolarHBondContact NZ-OD1 3.32Å; K433-V502 HydrophobicContact CB-CB 3.92Å; K433-V502 HydrophobicContact CB-CG2 3.82Å; K433-V502 HydrophobicContact CD-CB 4.07Å; K433-V502 HydrophobicContact CD-CG2 4.01Å
434	L	98.5	Very high	96.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.6	-44.5	175.6	-69.7	175.9	0	0	0	111.8	V430 L431 K432 L437 K438 L454 V502 L533 L536 I537	V430-L434 HydrophobicContact CG1-CD1 3.62Å; V430-L434 HydrophobicContact CG1-CG 4.03Å; V430-L434 WeakPolarHBondContact O-CG 3.38Å; V430-L434 PolarHBondContact O-N 3.11Å; L431-L434 PolarHBondContact O-N 2.77Å; K432-L434 PolarHBondContact O-N 2.57Å; L434-L437 PolarHBondContact O-N 3.03Å; L434-K438 WeakPolarHBondContact O-CB 3.27Å; L434-K438 PolarHBondContact O-N 3.26Å; L434-L454 HydrophobicContact CD2-CD2 3.55Å; L434-V502 HydrophobicContact CD2-CG1 4.01Å; L434-L533 HydrophobicContact CD2-CD2 4.03Å; L434-L536 HydrophobicContact CD1-CD2 4.05Å; L434-L536 HydrophobicContact CD1-CG 3.93Å; L434-L536 HydrophobicContact CD2-CD2 3.77Å; L434-I537 HydrophobicContact CB-CD1 4.04Å; L434-I537 HydrophobicContact CB-CG1 3.6Å; L434-I537 HydrophobicContact CD1-CG1 4.08Å; L434-I537 HydrophobicContact CG-CG1 4.46Å
435	T	98.4	Very high	96.3	Very high	75 Å²	75	47 Å²	47	46%	0.46	24%	0.239	S	C	.	.	H	α-helix	trans	-65.3	-45.1	178.7	-56.3	0	0	0	0	111.5	L431 K432 L437 K438 A439	L431-T435 WeakPolarHBondContact O-CB 3.43Å; L431-T435 PolarHBondContact O-N 3.38Å; L431-T435 PolarHBondContact O-OG1 2.95Å; K432-T435 PolarHBondContact O-N 2.96Å; T435-L437 VanDerWaalsContact C-N 3.33Å; T435-L437 PolarHBondContact O-N 3.26Å; T435-K438 PolarHBondContact O-N 3.31Å; T435-A439 PolarHBondContact O-N 3.12Å
436	E	98.1	Very high	96.2	Very high	64 Å²	64	44 Å²	44	30%	0.299	23%	0.226	S	C	.	.	H	α-helix	trans	-62.1	-38.8	174.3	-71.4	-179.3	-152.4	0	0	112.2	K184 F185 K432 V440	K184-E436 IonicContact NZ-OE2 3.21Å; K184-E436 PolarHBondContact NZ-OE2 3.38Å; F185-E436 HydrophobicContact CZ-CB 3.7Å; K432-E436 WeakPolarHBondContact CE-OE1 3.14Å; K432-E436 WeakPolarHBondContact CG-OE1 3.3Å; K432-E436 WeakPolarHBondContact O-CG 3.3Å; K432-E436 PolarHBondContact O-N 3.18Å; E436-V440 WeakPolarHBondContact O-CG2 3.47Å; E436-V440 PolarHBondContact O-N 3.48Å; E436-V440 VanDerWaalsContact O-N 3.1Å
437	L	98.2	Very high	96.2	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-65.9	-46.3	176.6	172	59.7	0	0	0	111.4	F185 K433 L434 T435 A439 V440 L441 L454 M504 L533	F185-L437 HydrophobicContact CB-CD1 3.87Å; F185-L437 HydrophobicContact CD1-CB 4.05Å; F185-L437 HydrophobicContact CD1-CD1 4.26Å; F185-L437 HydrophobicContact CD2-CB 4.23Å; F185-L437 HydrophobicContact CD2-CD1 3.64Å; F185-L437 HydrophobicContact CE1-CB 3.85Å; F185-L437 VanDerWaalsContact CE2-CA 3.5Å; F185-L437 HydrophobicContact CE2-CB 4.01Å; F185-L437 HydrophobicContact CE2-CD1 4.2Å; F185-L437 HydrophobicContact CG-CB 4.24Å; F185-L437 HydrophobicContact CG-CD1 3.67Å; F185-L437 HydrophobicContact CG-CG 4.44Å; F185-L437 HydrophobicContact CZ-CB 3.83Å; F185-L437 VanDerWaalsContact CZ-N 3.33Å; K433-L437 VanDerWaalsContact O-CB 3.29Å; K433-L437 WeakPolarHBondContact O-CB 3.15Å; K433-L437 PolarHBondContact O-N 2.87Å; L434-L437 PolarHBondContact O-N 3.03Å; T435-L437 VanDerWaalsContact C-N 3.33Å; T435-L437 PolarHBondContact O-N 3.26Å; L437-A439 VanDerWaalsContact C-N 3.32Å; L437-A439 PolarHBondContact O-N 2.94Å; L437-V440 PolarHBondContact O-N 2.84Å; L437-V440 VanDerWaalsContact O-N 3.16Å; L437-L441 HydrophobicContact CD1-CD1 4.01Å; L437-L441 HydrophobicContact CD1-CD2 4.39Å; L437-L441 HydrophobicContact CD1-CG 3.87Å; L437-L441 HydrophobicContact CG-CD1 4.24Å; L437-L441 HydrophobicContact CG-CG 4.43Å; L437-L441 WeakPolarHBondContact O-CG 3.29Å; L437-L441 PolarHBondContact O-N 3.3Å; L437-L454 HydrophobicContact CD2-CD1 3.47Å; L437-L454 VanDerWaalsContact CD2-CD1 3.47Å; L437-M504 HydrophobicContact CD1-CG 4.16Å; L437-M504 HydrophobicContact CD1-SD 3.73Å; L437-M504 HydrophobicContact CD2-CG 4.13Å; L437-L533 HydrophobicContact CD2-CD1 4.26Å; L437-L533 HydrophobicContact CD2-CD2 4.1Å; L437-L533 HydrophobicContact CG-CD1 4.04Å
438	K	98.2	Very high	96.2	Very high	39 Å²	39	45.7 Å²	45.7	17%	0.17	23%	0.233	C	C	.	.	H	α-helix	trans	-53.8	-51.4	175.1	-179.7	-177	167.6	-73.9	0	110.2	L434 T435 V440 L441 E442 I530 L533 I537	L434-K438 WeakPolarHBondContact O-CB 3.27Å; L434-K438 PolarHBondContact O-N 3.26Å; T435-K438 PolarHBondContact O-N 3.31Å; K438-V440 VanDerWaalsContact C-N 3.29Å; K438-V440 PolarHBondContact O-N 3.32Å; K438-L441 PolarHBondContact O-N 2.76Å; K438-L441 VanDerWaalsContact O-N 3.11Å; K438-E442 WeakPolarHBondContact CE-OE1 3.4Å; K438-E442 HydrophobicContact CG-CG 4.4Å; K438-E442 IonicContact NZ-OE1 2.83Å; K438-E442 PolarHBondContact NZ-OE1 3.22Å; K438-E442 IonicContact NZ-OE2 3.7Å; K438-E442 PolarHBondContact NZ-OE2 3.37Å; K438-E442 WeakPolarHBondContact O-CG 3.46Å; K438-E442 PolarHBondContact O-N 2.95Å; K438-I530 HydrophobicContact CG-CG2 4.37Å; K438-L533 HydrophobicContact CB-CD1 4.14Å; K438-I537 HydrophobicContact CB-CD1 4.42Å; K438-I537 HydrophobicContact CD-CD1 4.17Å
439	A	97.8	Very high	96.2	Very high	38 Å²	38	44 Å²	44	31%	0.314	21%	0.214	S	C	.	.	H	α-helix	trans	-61.2	-32.8	179.6	0	0	0	0	0	113.7	T435 L437 R443	T435-A439 PolarHBondContact O-N 3.12Å; L437-A439 VanDerWaalsContact C-N 3.32Å; L437-A439 PolarHBondContact O-N 2.94Å; A439-R443 PolarHBondContact O-NH1 2.92Å
440	V	97.1	Very high	96.1	Very high	6 Å²	6	42.1 Å²	42.1	4%	0.036	20%	0.2	C	C	.	.	H	α-helix	trans	-69.8	-46.7	172.4	167.1	0	0	0	0	111.2	E181 M182 F185 E436 L437 K438 E442 R443 Q444	E181-V440 HydrophobicContact CB-CG1 3.94Å; E181-V440 HydrophobicContact CB-CG2 4.39Å; M182-V440 HydrophobicContact CG-CG1 3.97Å; F185-V440 HydrophobicContact CE2-CB 4.22Å; F185-V440 HydrophobicContact CE2-CG2 3.9Å; E436-V440 WeakPolarHBondContact O-CG2 3.47Å; E436-V440 PolarHBondContact O-N 3.48Å; E436-V440 VanDerWaalsContact O-N 3.1Å; L437-V440 PolarHBondContact O-N 2.84Å; L437-V440 VanDerWaalsContact O-N 3.16Å; K438-V440 VanDerWaalsContact C-N 3.29Å; K438-V440 PolarHBondContact O-N 3.32Å; V440-E442 VanDerWaalsContact C-N 3.34Å; V440-E442 PolarHBondContact O-N 3.39Å; V440-R443 PolarHBondContact O-N 3.35Å; V440-R443 VanDerWaalsContact O-N 3.08Å; V440-Q444 HydrophobicContact CG1-CG 4.38Å; V440-Q444 WeakPolarHBondContact O-CG 3.21Å; V440-Q444 PolarHBondContact O-N 3.07Å; V440-Q444 PolarHBondContact O-NE2 3.21Å
441	L	96.4	Very high	95.9	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.026	21%	0.208	C	C	.	.	H	α-helix	trans	-66.9	-31.6	-178.7	-68.1	-174.6	0	0	0	113.5	M182 L437 K438 R443 Q444 F449 M504 Y529 I530 L533	M182-L441 HydrophobicContact CE-CD2 3.83Å; M182-L441 HydrophobicContact SD-CD2 4.49Å; L437-L441 HydrophobicContact CD1-CD1 4.01Å; L437-L441 HydrophobicContact CD1-CD2 4.39Å; L437-L441 HydrophobicContact CD1-CG 3.87Å; L437-L441 HydrophobicContact CG-CD1 4.24Å; L437-L441 HydrophobicContact CG-CG 4.43Å; L437-L441 WeakPolarHBondContact O-CG 3.29Å; L437-L441 PolarHBondContact O-N 3.3Å; K438-L441 PolarHBondContact O-N 2.76Å; K438-L441 VanDerWaalsContact O-N 3.11Å; L441-R443 PolarHBondContact O-N 3.22Å; L441-Q444 HydrophobicContact CD2-CG 4.34Å; L441-Q444 PolarHBondContact O-N 2.87Å; L441-Q444 VanDerWaalsContact O-N 3.1Å; L441-F449 HydrophobicContact CD2-CE2 3.79Å; L441-F449 HydrophobicContact CD2-CZ 4.07Å; L441-M504 HydrophobicContact CD1-CE 4.06Å; L441-M504 HydrophobicContact CD1-SD 4.21Å; L441-M504 HydrophobicContact CD2-CE 4.04Å; L441-M504 HydrophobicContact CD2-SD 3.97Å; L441-Y529 HydrophobicContact CD1-CD1 3.46Å; L441-Y529 VanDerWaalsContact CD1-CD1 3.46Å; L441-Y529 HydrophobicContact CD1-CE1 3.51Å; L441-Y529 HydrophobicContact CD1-CG 4.32Å; L441-I530 HydrophobicContact CB-CG1 4.39Å; L441-L533 HydrophobicContact CD1-CD1 3.8Å
442	E	95.9	Very high	95.8	Very high	72 Å²	72	42 Å²	42	34%	0.336	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.4	172	-72.4	176.3	128.5	0	0	112.5	K438 V440 I530	K438-E442 WeakPolarHBondContact CE-OE1 3.4Å; K438-E442 HydrophobicContact CG-CG 4.4Å; K438-E442 IonicContact NZ-OE1 2.83Å; K438-E442 PolarHBondContact NZ-OE1 3.22Å; K438-E442 IonicContact NZ-OE2 3.7Å; K438-E442 PolarHBondContact NZ-OE2 3.37Å; K438-E442 WeakPolarHBondContact O-CG 3.46Å; K438-E442 PolarHBondContact O-N 2.95Å; V440-E442 VanDerWaalsContact C-N 3.34Å; V440-E442 PolarHBondContact O-N 3.39Å; E442-I530 HydrophobicContact CG-CD1 3.83Å; E442-I530 HydrophobicContact CG-CG1 4.36Å; E442-I530 HydrophobicContact CG-CG2 4.33Å
443	R	94.5	Very high	95.8	Very high	135 Å²	135	35.5 Å²	35.5	51%	0.509	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-14.2	173.4	-60.5	-168.3	-58	-88.1	12.9	114.6	E181 A439 V440 L441 E445	E181-R443 IonicContact OE1-CZ 2.75Å; E181-R443 VanDerWaalsContact OE1-CZ 3.27Å; E181-R443 IonicContact OE1-NE 3.27Å; E181-R443 PolarHBondContact OE1-NE 3.47Å; E181-R443 IonicContact OE1-NH2 2.65Å; E181-R443 PolarHBondContact OE1-NH2 2.89Å; A439-R443 PolarHBondContact O-NH1 2.92Å; V440-R443 PolarHBondContact O-N 3.35Å; V440-R443 VanDerWaalsContact O-N 3.08Å; L441-R443 PolarHBondContact O-N 3.22Å; R443-E445 VanDerWaalsContact C-N 3.28Å; R443-E445 PolarHBondContact O-N 3.15Å
444	Q	92.6	Very high	95.8	Very high	13 Å²	13	32.7 Å²	32.7	6%	0.061	16%	0.161	C	C	.	.			trans	-81.7	74	-179.1	-58.5	-44	-69.1	0	0	110.8	E181 M182 V440 L441 Y447	E181-Q444 PolarHBondContact OE2-NE2 3Å; M182-Q444 HydrophobicContact CG-CG 4.12Å; M182-Q444 HydrophobicContact SD-CG 3.93Å; V440-Q444 HydrophobicContact CG1-CG 4.38Å; V440-Q444 WeakPolarHBondContact O-CG 3.21Å; V440-Q444 PolarHBondContact O-N 3.07Å; V440-Q444 PolarHBondContact O-NE2 3.21Å; L441-Q444 HydrophobicContact CD2-CG 4.34Å; L441-Q444 PolarHBondContact O-N 2.87Å; L441-Q444 VanDerWaalsContact O-N 3.1Å; Q444-Y447 HydrophobicContact CB-CD2 3.86Å; Q444-Y447 HydrophobicContact CB-CG 4.37Å
445	E	89.4	Confident	95.8	Very high	142 Å²	142	33.8 Å²	33.8	66%	0.664	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	146.1	177.5	-66.3	-168.5	177.7	0	0	112.6	R443 Y447	R443-E445 VanDerWaalsContact C-N 3.28Å; R443-E445 PolarHBondContact O-N 3.15Å; E445-Y447 PolarHBondContact O-N 2.91Å
446	S	90.8	Very high	95.8	Very high	11 Å²	11	30.4 Å²	30.4	8%	0.077	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	-14	-179.9	80.8	0	0	0	0	117.4	R513 H522 G524	S446-R513 WeakPolarHBondContact OG-CB 3.5Å; S446-R513 PolarHBondContact OG-N 2.79Å; S446-H522 WeakPolarHBondContact CB-O 3.26Å; S446-G524 PolarHBondContact N-O 3.32Å
447	Y	94.4	Very high	95.7	Very high	13 Å²	13	27.3 Å²	27.3	5%	0.051	13%	0.131	C	C	.	.			trans	-67.7	139.1	174.3	-80.6	-88.4	0	0	0	111.5	F174 P179 Q444 E445 F449 T510 T511 C512	F174-Y447 HydrophobicContact CD2-CE1 4.34Å; F174-Y447 HydrophobicContact CE2-CE1 4.2Å; P179-Y447 HydrophobicContact CG-CE2 3.95Å; P179-Y447 VanDerWaalsContact CG-OH 3.31Å; P179-Y447 WeakPolarHBondContact CG-OH 3.49Å; Q444-Y447 HydrophobicContact CB-CD2 3.86Å; Q444-Y447 HydrophobicContact CB-CG 4.37Å; E445-Y447 PolarHBondContact O-N 2.91Å; Y447-F449 HydrophobicContact CD1-CE1 4.24Å; Y447-F449 AromaticContact CD1-CZ 3.9Å; Y447-F449 HydrophobicContact CD1-CZ 3.9Å; Y447-F449 HydrophobicContact CG-CE2 4.46Å; Y447-F449 HydrophobicContact CG-CZ 4Å; Y447-T510 HydrophobicContact CD1-CG2 4.12Å; Y447-T511 WeakPolarHBondContact CA-O 3.5Å; Y447-C512 HydrophobicContact CD1-CB 3.87Å; Y447-C512 HydrophobicContact CE1-CB 3.78Å; Y447-C512 HydrophobicContact CG-CB 4.34Å; Y447-C512 VanDerWaalsContact CZ-SG 3.57Å
448	R	95.7	Very high	95.6	Very high	26 Å²	26	27.4 Å²	27.4	10%	0.098	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	134.5	166.4	-58.9	-65.5	179.9	-97.5	6.9	110.2	Y450 T510 T511 H522 E523 G524 Q525 D526	R448-Y450 HydrophobicContact CB-CD2 4.17Å; R448-Y450 HydrophobicContact CB-CE1 4.26Å; R448-Y450 HydrophobicContact CB-CE2 3.65Å; R448-Y450 HydrophobicContact CG-CE2 4.25Å; R448-T510 CarbonylContact O-C 3.5Å; R448-T510 VanDerWaalsContact O-CA 3.22Å; R448-T510 WeakPolarHBondContact O-CA 3.47Å; R448-T510 WeakPolarHBondContact O-CG2 3.23Å; R448-T511 PolarHBondContact N-O 2.8Å; R448-T511 PolarHBondContact O-N 3.41Å; R448-H522 HydrophobicContact CG-CB 3.96Å; R448-E523 PolarHBondContact NH2-O 3.42Å; R448-G524 PolarHBondContact NH1-O 2.83Å; R448-G524 PolarHBondContact NH2-O 3.41Å; R448-Q525 VanDerWaalsContact NH1-C 3.31Å; R448-Q525 PolarHBondContact NH1-O 3.47Å; R448-Q525 PolarHBondContact NH2-O 2.83Å; R448-D526 WeakPolarHBondContact CA-OD2 3.49Å
449	F	96	Very high	95.4	Very high	5 Å²	5	26.1 Å²	26.1	2%	0.022	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	59.7	-171.8	-59.6	-83.1	0	0	0	111.5	F174 M182 L441 Y447 S451 S452 M504 F507 T510 D526 Y529	F174-F449 AromaticContact CE2-CE1 3.77Å; F174-F449 HydrophobicContact CE2-CE1 3.77Å; F174-F449 HydrophobicContact CZ-CE1 4.21Å; M182-F449 HydrophobicContact CE-CE1 3.8Å; M182-F449 HydrophobicContact CE-CZ 3.62Å; M182-F449 HydrophobicContact SD-CZ 4.05Å; L441-F449 HydrophobicContact CD2-CE2 3.79Å; L441-F449 HydrophobicContact CD2-CZ 4.07Å; Y447-F449 HydrophobicContact CD1-CE1 4.24Å; Y447-F449 AromaticContact CD1-CZ 3.9Å; Y447-F449 HydrophobicContact CD1-CZ 3.9Å; Y447-F449 HydrophobicContact CG-CE2 4.46Å; Y447-F449 HydrophobicContact CG-CZ 4Å; F449-S451 PolarHBondContact O-N 2.66Å; F449-S452 WeakPolarHBondContact CB-OG 3.49Å; F449-S452 PolarHBondContact O-N 2.87Å; F449-S452 PolarHBondContact O-OG 3.13Å; F449-M504 HydrophobicContact CB-CE 4.44Å; F449-M504 HydrophobicContact CD1-CE 3.71Å; F449-M504 HydrophobicContact CD2-CE 4.08Å; F449-M504 HydrophobicContact CE1-CE 3.9Å; F449-M504 HydrophobicContact CE2-CE 4.25Å; F449-M504 HydrophobicContact CG-CE 3.81Å; F449-M504 HydrophobicContact CZ-CE 4.17Å; F449-F507 HydrophobicContact CD1-CD1 4.18Å; F449-F507 HydrophobicContact CD1-CE1 4.32Å; F449-F507 HydrophobicContact CE1-CD1 4.47Å; F449-F507 HydrophobicContact CE1-CE1 4.49Å; F449-T510 HydrophobicContact CD1-CG2 3.92Å; F449-T510 HydrophobicContact CE1-CG2 3.95Å; F449-D526 HydrophobicContact CD2-CB 4.44Å; F449-D526 PolarHBondContact N-OD2 2.74Å; F449-Y529 HydrophobicContact CB-CD2 3.75Å; F449-Y529 HydrophobicContact CB-CE2 4.07Å; F449-Y529 HydrophobicContact CG-CD2 4.47Å
450	Y	95.4	Very high	95.1	Very high	13 Å²	13	24.3 Å²	24.3	5%	0.051	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	134.6	-178.2	-58.2	-55.2	0	0	0	111.9	R349 R448 S452 H509 H522	R349-Y450 HydrophobicContact CB-CD1 4.46Å; R349-Y450 HydrophobicContact CB-CE1 4.21Å; R349-Y450 HydrophobicContact CG-CD1 4.08Å; R349-Y450 HydrophobicContact CG-CE1 3.86Å; R349-Y450 PolarHBondContact NH1-OH 3.5Å; R448-Y450 HydrophobicContact CB-CD2 4.17Å; R448-Y450 HydrophobicContact CB-CE1 4.26Å; R448-Y450 HydrophobicContact CB-CE2 3.65Å; R448-Y450 HydrophobicContact CG-CE2 4.25Å; Y450-S452 PolarHBondContact O-N 3.28Å; Y450-H509 WeakPolarHBondContact O-CB 3.34Å; Y450-H522 PolarHBondContact OH-CE1 3.3Å
451	S	92.8	Very high	94.6	Very high	28 Å²	28	28.1 Å²	28.1	20%	0.196	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	24.1	176.1	-125.3	0	0	0	0	114.1	K345 Q350 Q363 F449	K345-S451 WeakPolarHBondContact CE-O 3.2Å; K345-S451 PolarHBondContact NZ-O 2.85Å; Q350-S451 WeakPolarHBondContact O-CB 3.24Å; Q350-S451 PolarHBondContact O-OG 2.81Å; Q363-S451 PolarHBondContact NE2-OG 3.35Å; F449-S451 PolarHBondContact O-N 2.66Å
452	S	96.4	Very high	94	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.144	C	C	.	.			trans	-84.6	163.9	168.8	63.6	0	0	0	0	111.4	K345 M346 F449 Y450 I505 D506 Y529	K345-S452 WeakPolarHBondContact CE-O 3.33Å; K345-S452 PolarHBondContact NZ-O 2.57Å; K345-S452 VanDerWaalsContact NZ-O 3.15Å; M346-S452 PolarHBondContact N-O 2.78Å; F449-S452 WeakPolarHBondContact CB-OG 3.49Å; F449-S452 PolarHBondContact O-N 2.87Å; F449-S452 PolarHBondContact O-OG 3.13Å; Y450-S452 PolarHBondContact O-N 3.28Å; S452-I505 WeakPolarHBondContact CA-O 3.4Å; S452-I505 WeakPolarHBondContact CB-O 3.06Å; S452-D506 WeakPolarHBondContact CA-O 3.32Å; S452-Y529 VanDerWaalsContact OG-CE2 3.31Å; S452-Y529 WeakPolarHBondContact OG-CE2 3.42Å
453	S	97.1	Very high	92.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	157	176.5	-78.1	0	0	0	0	112	D343 L344 K345 M504 I505	D343-S453 WeakPolarHBondContact OD1-CB 3.13Å; D343-S453 PolarHBondContact OD1-OG 2.6Å; L344-S453 CarbonylContact O-C 3.5Å; L344-S453 WeakPolarHBondContact O-CA 3.4Å; L344-S453 WeakPolarHBondContact O-CB 3.47Å; L344-S453 PolarHBondContact O-OG 3.14Å; K345-S453 WeakPolarHBondContact CD-OG 3.36Å; K345-S453 PolarHBondContact NZ-OG 3.41Å; S453-M504 CarbonylContact O-C 3.55Å; S453-M504 WeakPolarHBondContact O-CA 3.35Å; S453-I505 PolarHBondContact N-O 2.91Å; S453-I505 PolarHBondContact O-N 2.99Å
454	L	98.1	Very high	91.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.7	163.5	-168.7	71.7	0	0	0	108.8	L344 M346 L434 L437 V502 M504 L533 L536	L344-L454 HydrophobicContact CB-CB 4.43Å; L344-L454 PolarHBondContact N-O 3.05Å; L344-L454 PolarHBondContact O-N 2.86Å; M346-L454 HydrophobicContact CG-CB 3.86Å; M346-L454 HydrophobicContact SD-CB 3.91Å; L434-L454 HydrophobicContact CD2-CD2 3.55Å; L437-L454 HydrophobicContact CD2-CD1 3.47Å; L437-L454 VanDerWaalsContact CD2-CD1 3.47Å; L454-V502 HydrophobicContact CD1-CG1 3.83Å; L454-V502 HydrophobicContact CD2-CG1 4.11Å; L454-V502 HydrophobicContact CG-CG1 4.07Å; L454-M504 HydrophobicContact CD1-CG 4.18Å; L454-L533 HydrophobicContact CD2-CD2 3.86Å; L454-L536 HydrophobicContact CD2-CD2 3.84Å
455	L	97.8	Very high	89.4	Confident	23 Å²	23	39.9 Å²	39.9	12%	0.12	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	118.7	-177.6	-163.3	72.1	0	0	0	109.4	L332 V341 L342 D343 I457 V502 R503 I505	L332-L455 HydrophobicContact CD1-CD2 3.94Å; V341-L455 HydrophobicContact CG1-CD1 3.61Å; V341-L455 HydrophobicContact CG1-CG 4.15Å; L342-L455 CarbonylContact O-C 3.49Å; L342-L455 VanDerWaalsContact O-CA 3.32Å; L342-L455 WeakPolarHBondContact O-CA 3.45Å; D343-L455 HydrophobicContact CB-CD1 3.99Å; L455-I457 HydrophobicContact CD2-CD1 3.76Å; L455-I457 HydrophobicContact CD2-CG1 4.19Å; L455-I457 HydrophobicContact CG-CD1 4.18Å; L455-I457 HydrophobicContact CG-CG1 4.07Å; L455-V502 CarbonylContact O-C 3.59Å; L455-V502 VanDerWaalsContact O-CA 3.32Å; L455-V502 WeakPolarHBondContact O-CA 3.36Å; L455-R503 WeakPolarHBondContact CB-O 3.36Å; L455-R503 PolarHBondContact N-O 3.31Å; L455-R503 PolarHBondContact O-N 2.83Å; L455-I505 HydrophobicContact CB-CD1 4.23Å; L455-I505 HydrophobicContact CD1-CD1 4.24Å; L455-I505 HydrophobicContact CD2-CD1 4.34Å
456	V	98.2	Very high	87.5	Confident	4 Å²	4	38.9 Å²	38.9	2%	0.024	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	129.5	174.2	-172.4	0	0	0	0	108.8	V341 L342 F415 V430 V500 D501 V502	V341-V456 WeakPolarHBondContact CA-O 3.39Å; L342-V456 HydrophobicContact CB-CB 4.38Å; L342-V456 PolarHBondContact N-O 3.41Å; L342-V456 PolarHBondContact O-N 3.16Å; F415-V456 HydrophobicContact CE1-CB 4.07Å; F415-V456 HydrophobicContact CE1-CG1 3.74Å; F415-V456 HydrophobicContact CZ-CB 4.31Å; F415-V456 HydrophobicContact CZ-CG1 4.23Å; V430-V456 HydrophobicContact CG2-CG1 4.11Å; V456-V500 HydrophobicContact CG1-CG1 4.08Å; V456-D501 CarbonylContact C-O 3.59Å; V456-D501 WeakPolarHBondContact CA-O 3.23Å; V456-V502 HydrophobicContact CG1-CG2 4.32Å; V456-V502 HydrophobicContact CG2-CG2 4.41Å
457	I	97.3	Very high	85.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	135.8	-175.7	-49.4	164.4	0	0	0	111.2	L332 T333 Y336 P339 C340 V341 L455 V500 D501	L332-I457 HydrophobicContact CB-CD1 3.47Å; L332-I457 VanDerWaalsContact CB-CD1 3.47Å; L332-I457 HydrophobicContact CD1-CD1 4.11Å; L332-I457 HydrophobicContact CG-CD1 4.44Å; T333-I457 HydrophobicContact CG2-CD1 4.4Å; Y336-I457 HydrophobicContact CD2-CG2 3.55Å; Y336-I457 HydrophobicContact CE2-CB 4.02Å; Y336-I457 HydrophobicContact CE2-CG2 3.26Å; Y336-I457 HydrophobicContact CG-CG2 4.41Å; Y336-I457 PolarHBondContact OH-O 3.17Å; P339-I457 HydrophobicContact CB-CG2 4.28Å; C340-I457 VanDerWaalsContact O-CA 3.24Å; C340-I457 WeakPolarHBondContact O-CA 3.48Å; C340-I457 WeakPolarHBondContact O-CG2 3.28Å; V341-I457 HydrophobicContact CG1-CG1 4.29Å; V341-I457 HydrophobicContact CG2-CG1 4.41Å; V341-I457 HydrophobicContact CG2-CG2 4.21Å; L455-I457 HydrophobicContact CD2-CD1 3.76Å; L455-I457 HydrophobicContact CD2-CG1 4.19Å; L455-I457 HydrophobicContact CG-CD1 4.18Å; L455-I457 HydrophobicContact CG-CG1 4.07Å; I457-V500 CarbonylContact O-C 3.57Å; I457-V500 WeakPolarHBondContact O-CA 3.22Å; I457-V500 WeakPolarHBondContact O-CG1 3.26Å; I457-D501 PolarHBondContact N-O 2.83Å; I457-D501 PolarHBondContact O-N 2.79Å
458	Y	96.1	Very high	83.1	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.008	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	167.4	170.7	70.8	-91.1	0	0	0	111.9	C340 F415 F416 L426 G460	C340-Y458 HydrophobicContact CB-CD1 3.8Å; C340-Y458 HydrophobicContact CB-CD2 4.16Å; C340-Y458 HydrophobicContact CB-CE1 3.34Å; C340-Y458 HydrophobicContact CB-CE2 3.74Å; C340-Y458 HydrophobicContact CB-CG 4.17Å; C340-Y458 PolarHBondContact N-O 3.05Å; C340-Y458 PolarHBondContact O-N 3.49Å; C340-Y458 VanDerWaalsContact O-N 3.1Å; F415-Y458 HydrophobicContact CD1-CE1 4.34Å; F415-Y458 HydrophobicContact CD2-CE1 4.41Å; F415-Y458 AromaticContact CE1-CD1 3.94Å; F415-Y458 HydrophobicContact CE1-CD1 3.94Å; F415-Y458 AromaticContact CE1-CE1 3.79Å; F415-Y458 HydrophobicContact CE1-CE1 3.79Å; F415-Y458 HydrophobicContact CE2-CD1 4.38Å; F415-Y458 AromaticContact CE2-CE1 3.85Å; F415-Y458 HydrophobicContact CE2-CE1 3.85Å; F415-Y458 AromaticContact CZ-CD1 3.67Å; F415-Y458 HydrophobicContact CZ-CD1 3.67Å; F415-Y458 AromaticContact CZ-CE1 3.52Å; F415-Y458 HydrophobicContact CZ-CE1 3.52Å; F415-Y458 WeakPolarHBondContact O-CE1 3.27Å; F415-Y458 PolarHBondContact O-OH 2.71Å; F416-Y458 HydrophobicContact CD1-CE1 4.5Å; L426-Y458 HydrophobicContact CD1-CD1 3.91Å; L426-Y458 HydrophobicContact CD1-CD2 3.4Å; L426-Y458 VanDerWaalsContact CD1-CD2 3.4Å; L426-Y458 HydrophobicContact CD1-CE1 4.02Å; L426-Y458 HydrophobicContact CD1-CE2 3.55Å; L426-Y458 HydrophobicContact CD1-CG 3.62Å; L426-Y458 HydrophobicContact CD2-CD2 4.2Å; L426-Y458 HydrophobicContact CD2-CG 4.28Å; L426-Y458 HydrophobicContact CG-CD2 4.47Å; Y458-G460 PolarHBondContact O-N 3.04Å
459	D	93.9	Very high	80.3	Confident	12 Å²	12	55.5 Å²	55.5	6%	0.064	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	115.5	173.8	-142.2	-25.5	0	0	0	110.6	Y336 E337 V338 K461 R463	Y336-D459 WeakPolarHBondContact CA-OD2 3.39Å; Y336-D459 HydrophobicContact CD1-CB 3.72Å; E337-D459 PolarHBondContact N-OD1 2.83Å; E337-D459 VanDerWaalsContact N-OD1 3.14Å; E337-D459 PolarHBondContact N-OD2 2.91Å; V338-D459 PolarHBondContact N-OD1 2.78Å; D459-K461 PolarHBondContact O-N 3.33Å; D459-R463 IonicContact OD2-CZ 3.91Å; D459-R463 IonicContact OD2-NE 3.08Å; D459-R463 IonicContact OD2-NH2 2.85Å; D459-R463 PolarHBondContact OD2-NH2 3.24Å
460	G	92	Very high	78	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.01	33%	0.328	C	S	.	.	S	Bend	trans	-65.9	-28.1	175.7	0	0	0	0	0	112.7	V338 C340 Y385 Y458	V338-G460 WeakPolarHBondContact O-CA 3.38Å; V338-G460 PolarHBondContact O-N 3.01Å; C340-G460 WeakPolarHBondContact SG-CA 3.49Å; Y385-G460 WeakPolarHBondContact CD1-O 3.46Å; Y458-G460 PolarHBondContact O-N 3.04Å
461	K	86.4	Confident	75.5	Confident	86 Å²	86	67.6 Å²	67.6	37%	0.374	37%	0.366	S	S	.	.	S	Bend	trans	-84.6	115.5	175.4	-169.6	-174.7	176.2	-170	0	109.9	E337 V338 D459 R463	E337-K461 HydrophobicContact CB-CD 4.4Å; E337-K461 HydrophobicContact CG-CD 4.29Å; E337-K461 WeakPolarHBondContact OE1-CD 3.34Å; E337-K461 IonicContact OE1-NZ 3.93Å; E337-K461 PolarHBondContact OE1-NZ 3.18Å; E337-K461 VanDerWaalsContact OE2-CD 3.26Å; E337-K461 WeakPolarHBondContact OE2-CD 3.27Å; E337-K461 IonicContact OE2-NZ 3.84Å; E337-K461 PolarHBondContact OE2-NZ 3.16Å; V338-K461 HydrophobicContact CB-CB 4.39Å; V338-K461 HydrophobicContact CG2-CB 4.07Å; D459-K461 PolarHBondContact O-N 3.33Å; K461-R463 PolarHBondContact O-N 2.85Å
462	E	82.6	Confident	73.2	Confident	76 Å²	76	70.5 Å²	70.5	36%	0.355	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-59.9	128.2	169.3	-78	132.7	-132	0	0	110.2	N418 Y421 R423	N418-E462 PolarHBondContact ND2-OE1 3.49Å; Y421-E462 PolarHBondContact OH-OE2 2.91Å; Y421-E462 VanDerWaalsContact OH-OE2 3.11Å; R423-E462 WeakPolarHBondContact CD-OE1 3.49Å; R423-E462 IonicContact CZ-OE1 2.72Å; R423-E462 IonicContact NE-OE1 3.29Å; R423-E462 VanDerWaalsContact NH1-CG 3.33Å; R423-E462 IonicContact NH1-OE1 2.74Å; R423-E462 PolarHBondContact NH1-OE1 3.12Å
463	R	71.1	Confident	71	Confident	115 Å²	115	79.5 Å²	79.5	43%	0.434	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-90.8	131.2	166.3	-59	-177.7	-167	-171.3	5.9	105.8	R335 D459 K461 E465	R335-R463 PolarHBondContact O-NH2 2.9Å; D459-R463 IonicContact OD2-CZ 3.91Å; D459-R463 IonicContact OD2-NE 3.08Å; D459-R463 IonicContact OD2-NH2 2.85Å; D459-R463 PolarHBondContact OD2-NH2 3.24Å; K461-R463 PolarHBondContact O-N 2.85Å; R463-E465 PolarHBondContact O-N 3.49Å
464	P	58.5	Low	68.5	Low	117 Å²	117	87 Å²	87	76%	0.76	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-53.7	130.9	169.5	-21.2	32.2	0	0	0	108.2	V466	P464-V466 PolarHBondContact O-N 2.82Å; P464-V466 VanDerWaalsContact O-N 3.12Å
465	E	57.5	Low	66	Low	164 Å²	164	94.8 Å²	94.8	77%	0.766	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-61.3	119.6	166.6	-65.8	-164.5	152.6	0	0	106.8	R463 V467	R463-E465 PolarHBondContact O-N 3.49Å; E465-V467 VanDerWaalsContact C-N 3.26Å; E465-V467 PolarHBondContact O-N 3.17Å
466	V	49.9	Very low	63.5	Low	120 Å²	120	103.4 Å²	103.4	73%	0.727	55%	0.554	S	S	*	*			trans	-71.3	97.5	169.2	-177.7	0	0	0	0	104.7	P464 L468	P464-V466 PolarHBondContact O-N 2.82Å; P464-V466 VanDerWaalsContact O-N 3.12Å; V466-L468 HydrophobicContact CG1-CD2 4.1Å; V466-L468 HydrophobicContact CG1-CG 4.45Å; V466-L468 PolarHBondContact O-N 3.46Å
467	V	45.4	Very low	60.9	Low	117 Å²	117	109.5 Å²	109.5	71%	0.709	59%	0.587	S	S	*	*			trans	-60.6	97.7	162.3	-176.1	0	0	0	0	105.2	E465 D469	E465-V467 VanDerWaalsContact C-N 3.26Å; E465-V467 PolarHBondContact O-N 3.17Å; V467-D469 PolarHBondContact O-N 2.99Å
468	L	47.9	Very low	58.1	Low	146 Å²	146	117.3 Å²	117.3	76%	0.764	63%	0.628	S	S	*	*			trans	-67.7	112.4	160.7	-66.7	174	0	0	0	104.5	V466 S470	V466-L468 HydrophobicContact CG1-CD2 4.1Å; V466-L468 HydrophobicContact CG1-CG 4.45Å; V466-L468 PolarHBondContact O-N 3.46Å; L468-S470 PolarHBondContact O-N 3.35Å
469	D	37.1	Very low	55.8	Low	136 Å²	136	122.2 Å²	122.2	73%	0.727	66%	0.662	S	S	*	*			trans	-53.5	137.4	173.5	-89.6	-39.4	0	0	0	109	V467 D471	V467-D469 PolarHBondContact O-N 2.99Å; D469-D471 PolarHBondContact O-N 2.87Å
470	S	46.4	Very low	53.6	Low	115 Å²	115	130.3 Å²	130.3	80%	0.804	70%	0.7	S	S	*	*	S	Bend	trans	-77	36	-167.2	-173.7	0	0	0	0	113.7	L468	L468-S470 PolarHBondContact O-N 3.35Å
471	D	43.5	Very low	51.1	Low	157 Å²	157	139 Å²	139	84%	0.84	74%	0.74	S	S	*	*			trans	-114.1	48.4	-176.8	-69.8	-29.4	0	0	0	111.3	D469	D469-D471 PolarHBondContact O-N 2.87Å
472	A	44.1	Very low	48.7	Very low	89 Å²	89	140.5 Å²	140.5	74%	0.736	76%	0.762	S	S	*	*			trans	-143	59.9	170.9	0	0	0	0	0	111.1	D474	A472-D474 PolarHBondContact O-N 3.25Å; A472-D474 VanDerWaalsContact O-N 3.13Å
473	E	50.6	Low	47	Very low	189 Å²	189	141.9 Å²	141.9	88%	0.883	79%	0.786	S	S	*	*			trans	-64.2	101.9	149.9	-68	-168	168.5	0	0	107.4
474	D	44.8	Very low	45.1	Very low	157 Å²	157	142.8 Å²	142.8	84%	0.84	80%	0.799	S	S	*	*			trans	163.4	73.1	156	-89.3	-20.4	0	0	0	109.8	A472	A472-D474 PolarHBondContact O-N 3.25Å; A472-D474 VanDerWaalsContact O-N 3.13Å
475	L	45.2	Very low	44.7	Very low	165 Å²	165	146.6 Å²	146.6	86%	0.864	81%	0.807	S	S	*	*			trans	-165.4	39.8	159.7	-110.7	161.5	0	0	0	113.5
476	E	46	Very low	44.1	Very low	204 Å²	204	144 Å²	144	95%	0.953	81%	0.807	S	S	*	*			trans	-95.3	76	160.7	-73.2	-162.4	169.3	0	0	110.5
477	D	43	Very low	43.8	Very low	132 Å²	132	142.2 Å²	142.2	71%	0.706	81%	0.805	S	S	*	*			trans	-157.9	163.6	152.2	-153	-9.5	0	0	0	110.3
478	L	37.5	Very low	43.3	Very low	164 Å²	164	139.4 Å²	139.4	86%	0.859	80%	0.8	S	S	*	*			trans	78.1	49.9	-178.8	-45.9	-174.2	0	0	0	116
479	S	48.3	Very low	42.9	Very low	105 Å²	105	137 Å²	137	73%	0.734	80%	0.8	S	S	*	*			trans	-90.6	150.1	142	58.2	0	0	0	0	110.7
480	E	47.1	Very low	43.4	Very low	181 Å²	181	137.6 Å²	137.6	85%	0.846	79%	0.794	S	S	*	*			trans	80.8	100.5	172	-50.7	-171.8	168.8	0	0	117.4
481	E	40.8	Very low	43	Very low	183 Å²	183	136 Å²	136	86%	0.855	79%	0.788	S	S	*	*			trans	160.5	94.2	132.1	-89.1	-75.5	149.3	0	0	110.5
482	S	34.7	Very low	42.8	Very low	119 Å²	119	138.2 Å²	138.2	83%	0.832	79%	0.786	S	S	*	*			trans	177.2	111.5	142.4	33.2	0	0	0	0	111
483	A	46.8	Very low	42.6	Very low	105 Å²	105	142.7 Å²	142.7	87%	0.868	79%	0.788	S	S	*	*			trans	-84.8	114.1	171.3	0	0	0	0	0	110.8
484	D	32.7	Very low	42	Very low	133 Å²	133	139.2 Å²	139.2	71%	0.711	78%	0.782	S	S	*	*			trans	-139.8	85	157.3	-168.2	5	0	0	0	110.8	S486	D484-S486 VanDerWaalsContact C-N 3.26Å; D484-S486 PolarHBondContact O-N 3.34Å
485	E	49.8	Very low	42.1	Very low	197 Å²	197	137.2 Å²	137.2	92%	0.921	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	68.3	178.7	-85.5	-72.6	151.9	0	0	111.8
486	S	44.9	Very low	42	Very low	111 Å²	111	132.4 Å²	132.4	78%	0.776	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.1	-27	170.8	-163.2	0	0	0	0	116.3	D484	D484-S486 VanDerWaalsContact C-N 3.26Å; D484-S486 PolarHBondContact O-N 3.34Å
487	A	42.4	Very low	42.2	Very low	82 Å²	82	126.8 Å²	126.8	68%	0.678	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.3	-10	-173.1	0	0	0	0	0	116.2	A489	A487-A489 PolarHBondContact O-N 3.18Å
488	G	35.8	Very low	43.1	Very low	58 Å²	58	122.3 Å²	122.3	60%	0.598	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-79.4	-9.6	-166.3	0	0	0	0	0	117.9	Y490 A491	G488-Y490 PolarHBondContact O-N 2.91Å; G488-A491 PolarHBondContact O-N 2.77Å
489	A	40.3	Very low	45.2	Very low	94 Å²	94	116.9 Å²	116.9	78%	0.777	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-67	-1.1	-169	0	0	0	0	0	116.1	A487	A487-A489 PolarHBondContact O-N 3.18Å
490	Y	46.2	Very low	47.3	Very low	150 Å²	150	112.4 Å²	112.4	59%	0.588	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-120.6	22.8	-178.9	-57	-70.2	0	0	0	113.5	G488 Y492	G488-Y490 PolarHBondContact O-N 2.91Å; Y490-Y492 PolarHBondContact O-N 3.12Å
491	A	38	Very low	49.6	Very low	82 Å²	82	104.1 Å²	104.1	68%	0.678	63%	0.634	S	S	*	*			trans	-50.6	125.4	170.9	0	0	0	0	0	110.8	G488 K493	G488-A491 PolarHBondContact O-N 2.77Å; A491-K493 PolarHBondContact O-N 2.88Å
492	Y	40.1	Very low	52.3	Low	203 Å²	203	95.4 Å²	95.4	80%	0.796	59%	0.593	S	S	*	*			trans	-66.9	94.4	-177.6	-171	-88	0	0	0	109.2	Y490 P494	Y490-Y492 PolarHBondContact O-N 3.12Å; Y492-P494 WeakPolarHBondContact O-CD 3.48Å
493	K	40	Very low	55.3	Low	183 Å²	183	90.9 Å²	90.9	80%	0.796	56%	0.558	S	S	*	*			trans	-61.2	128.6	177	-77.5	-158.3	171.4	-162.7	0	109.6	A491	A491-K493 PolarHBondContact O-N 2.88Å
494	P	37.4	Very low	57.8	Low	116 Å²	116	85.9 Å²	85.9	75%	0.753	52%	0.516	S	S	*	.			trans	-52.7	143.8	168.6	-24.6	34.3	0	0	0	110.3	Y492 G496	Y492-P494 WeakPolarHBondContact O-CD 3.48Å; P494-G496 PolarHBondContact O-N 3.32Å
495	I	46.1	Very low	60.8	Low	114 Å²	114	80.9 Å²	80.9	59%	0.585	49%	0.489	S	S	*	.			trans	-77.3	91.7	-177.8	-59.7	171.1	0	0	0	108.3
496	G	44.8	Very low	62.9	Low	64 Å²	64	73.5 Å²	73.5	66%	0.66	46%	0.456	S	S	*	.			trans	-126.8	139.5	170.4	0	0	0	0	0	110.6	P494	P494-G496 PolarHBondContact O-N 3.32Å
497	A	50.3	Low	65.3	Low	87 Å²	87	68.2 Å²	68.2	72%	0.719	42%	0.419	S	S	*	.	S	Bend	trans	59.9	158.4	-174.3	0	0	0	0	0	115.9	S499	A497-S499 PolarHBondContact O-N 2.84Å
498	S	60.9	Low	67.7	Low	38 Å²	38	65.4 Å²	65.4	27%	0.266	40%	0.396	S	S	.	.			trans	-58	100.3	-170.8	-63.5	0	0	0	0	113.3	E425 V500	E425-S498 WeakPolarHBondContact CG-OG 3.33Å; S498-V500 PolarHBondContact O-N 3.04Å; S498-V500 VanDerWaalsContact O-N 3.07Å
499	S	81	Confident	70.5	Confident	49 Å²	49	64.4 Å²	64.4	34%	0.343	38%	0.376	S	S	.	.			trans	-71	107.1	-172.5	62.9	0	0	0	0	111.8	Y336 A497	Y336-S499 VanDerWaalsContact CE1-O 3.3Å; Y336-S499 WeakPolarHBondContact CE1-O 3.48Å; A497-S499 PolarHBondContact O-N 2.84Å
500	V	93.2	Very high	73	Confident	11 Å²	11	59.9 Å²	59.9	7%	0.067	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	144.6	169.8	-171.2	0	0	0	0	110.1	L426 P429 V430 K433 V456 I457 S498	L426-V500 HydrophobicContact CB-CG2 4.02Å; L426-V500 HydrophobicContact CD2-CG2 3.67Å; L426-V500 HydrophobicContact CG-CG2 4.43Å; P429-V500 HydrophobicContact CB-CB 4.37Å; P429-V500 HydrophobicContact CB-CG2 4.19Å; V430-V500 HydrophobicContact CG2-CB 4.41Å; V430-V500 HydrophobicContact CG2-CG1 3.6Å; V430-V500 HydrophobicContact CG2-CG2 4.46Å; K433-V500 PolarHBondContact NZ-O 2.85Å; V456-V500 HydrophobicContact CG1-CG1 4.08Å; I457-V500 CarbonylContact O-C 3.57Å; I457-V500 WeakPolarHBondContact O-CA 3.22Å; I457-V500 WeakPolarHBondContact O-CG1 3.26Å; S498-V500 PolarHBondContact O-N 3.04Å; S498-V500 VanDerWaalsContact O-N 3.07Å
501	D	95.6	Very high	75.2	Confident	8 Å²	8	53.1 Å²	53.1	4%	0.043	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	147.7	166.3	-153	17.9	0	0	0	113.3	R335 K433 V456 I457 R503	R335-D501 IonicContact CZ-OD2 3.45Å; R335-D501 IonicContact NH1-OD2 2.74Å; R335-D501 VanDerWaalsContact NH2-CG 3.27Å; R335-D501 IonicContact NH2-OD2 3.47Å; R335-D501 PolarHBondContact NH2-OD2 3.4Å; K433-D501 IonicContact NZ-OD1 2.72Å; K433-D501 PolarHBondContact NZ-OD1 3.32Å; V456-D501 CarbonylContact C-O 3.59Å; V456-D501 WeakPolarHBondContact CA-O 3.23Å; I457-D501 PolarHBondContact N-O 2.83Å; I457-D501 PolarHBondContact O-N 2.79Å; D501-R503 IonicContact OD1-NE 3.15Å; D501-R503 PolarHBondContact OD1-NE 3.2Å; D501-R503 WeakPolarHBondContact OD2-CG 3.33Å; D501-R503 IonicContact OD2-CZ 2.94Å; D501-R503 VanDerWaalsContact OD2-CZ 3.29Å; D501-R503 IonicContact OD2-NE 3.65Å; D501-R503 PolarHBondContact OD2-NE 2.84Å; D501-R503 IonicContact OD2-NH2 2.68Å; D501-R503 PolarHBondContact OD2-NH2 3.32Å
502	V	97.7	Very high	77.6	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	110.4	-176.6	178.1	0	0	0	0	106.5	K433 L434 L454 L455 V456	K433-V502 HydrophobicContact CB-CB 3.92Å; K433-V502 HydrophobicContact CB-CG2 3.82Å; K433-V502 HydrophobicContact CD-CB 4.07Å; K433-V502 HydrophobicContact CD-CG2 4.01Å; L434-V502 HydrophobicContact CD2-CG1 4.01Å; L454-V502 HydrophobicContact CD1-CG1 3.83Å; L454-V502 HydrophobicContact CD2-CG1 4.11Å; L454-V502 HydrophobicContact CG-CG1 4.07Å; L455-V502 CarbonylContact O-C 3.59Å; L455-V502 VanDerWaalsContact O-CA 3.32Å; L455-V502 WeakPolarHBondContact O-CA 3.36Å; V456-V502 HydrophobicContact CG1-CG2 4.32Å; V456-V502 HydrophobicContact CG2-CG2 4.41Å
503	R	97.8	Very high	79.9	Confident	24 Å²	24	45.3 Å²	45.3	9%	0.091	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	135.5	-173.6	-60.4	-72	-171.6	103.9	29.3	112.1	K184 F185 T186 E330 L332 L455 D501	K184-R503 PolarHBondContact O-NE 2.71Å; F185-R503 VanDerWaalsContact C-CD 3.45Å; F185-R503 CarbonylContact O-C 3.4Å; F185-R503 WeakPolarHBondContact O-CA 3.23Å; T186-R503 PolarHBondContact O-NH1 2.88Å; E330-R503 IonicContact OE1-CZ 2.66Å; E330-R503 IonicContact OE1-NH1 2.63Å; E330-R503 IonicContact OE1-NH2 3.7Å; E330-R503 PolarHBondContact OE1-NH2 3.29Å; E330-R503 IonicContact OE2-CZ 3.6Å; E330-R503 IonicContact OE2-NH1 2.84Å; E330-R503 PolarHBondContact OE2-NH1 2.83Å; E330-R503 IonicContact OE2-NH2 2.72Å; E330-R503 PolarHBondContact OE2-NH2 3.03Å; L332-R503 HydrophobicContact CD1-CB 3.75Å; L332-R503 HydrophobicContact CD1-CG 3.7Å; L332-R503 HydrophobicContact CD2-CG 3.86Å; L332-R503 HydrophobicContact CG-CG 4.45Å; L455-R503 WeakPolarHBondContact CB-O 3.36Å; L455-R503 PolarHBondContact N-O 3.31Å; L455-R503 PolarHBondContact O-N 2.83Å; D501-R503 IonicContact OD1-NE 3.15Å; D501-R503 PolarHBondContact OD1-NE 3.2Å; D501-R503 WeakPolarHBondContact OD2-CG 3.33Å; D501-R503 IonicContact OD2-CZ 2.94Å; D501-R503 VanDerWaalsContact OD2-CZ 3.29Å; D501-R503 IonicContact OD2-NE 3.65Å; D501-R503 PolarHBondContact OD2-NE 2.84Å; D501-R503 IonicContact OD2-NH2 2.68Å; D501-R503 PolarHBondContact OD2-NH2 3.32Å
504	M	98.1	Very high	82.1	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	140	165.8	-58.3	177.3	76.2	0	0	110.3	M182 F185 P187 L437 L441 F449 S453 L454 F507 Y529	M182-M504 HydrophobicContact CE-CE 4.04Å; M182-M504 HydrophobicContact CE-SD 3.55Å; M182-M504 VanDerWaalsContact CE-SD 3.55Å; F185-M504 PolarHBondContact O-N 3.46Å; P187-M504 VanDerWaalsContact CD-O 3.27Å; P187-M504 WeakPolarHBondContact CD-O 3.45Å; L437-M504 HydrophobicContact CD1-CG 4.16Å; L437-M504 HydrophobicContact CD1-SD 3.73Å; L437-M504 HydrophobicContact CD2-CG 4.13Å; L441-M504 HydrophobicContact CD1-CE 4.06Å; L441-M504 HydrophobicContact CD1-SD 4.21Å; L441-M504 HydrophobicContact CD2-CE 4.04Å; L441-M504 HydrophobicContact CD2-SD 3.97Å; F449-M504 HydrophobicContact CB-CE 4.44Å; F449-M504 HydrophobicContact CD1-CE 3.71Å; F449-M504 HydrophobicContact CD2-CE 4.08Å; F449-M504 HydrophobicContact CE1-CE 3.9Å; F449-M504 HydrophobicContact CE2-CE 4.25Å; F449-M504 HydrophobicContact CG-CE 3.81Å; F449-M504 HydrophobicContact CZ-CE 4.17Å; S453-M504 CarbonylContact O-C 3.55Å; S453-M504 WeakPolarHBondContact O-CA 3.35Å; L454-M504 HydrophobicContact CD1-CG 4.18Å; M504-F507 VanDerWaalsContact C-CZ 3.49Å; M504-F507 HydrophobicContact CB-CE1 3.85Å; M504-F507 HydrophobicContact CB-CZ 3.61Å; M504-F507 HydrophobicContact CE-CE1 4.35Å; M504-F507 WeakPolarHBondContact O-CZ 3.47Å; M504-Y529 HydrophobicContact CE-CE1 4.25Å; M504-Y529 HydrophobicContact CE-CE2 3.89Å
505	I	96.6	Very high	84.3	Confident	27 Å²	27	38.2 Å²	38.2	14%	0.138	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	169.7	177	65.3	173	0	0	0	111.4	P187 S452 S453 L455	P187-I505 HydrophobicContact CG-CG2 3.9Å; S452-I505 WeakPolarHBondContact CA-O 3.4Å; S452-I505 WeakPolarHBondContact CB-O 3.06Å; S453-I505 PolarHBondContact N-O 2.91Å; S453-I505 PolarHBondContact O-N 2.99Å; L455-I505 HydrophobicContact CB-CD1 4.23Å; L455-I505 HydrophobicContact CD1-CD1 4.24Å; L455-I505 HydrophobicContact CD2-CD1 4.34Å
506	D	94.8	Very high	85.7	Confident	42 Å²	42	36.4 Å²	36.4	23%	0.225	24%	0.238	C	C	.	.			trans	62.2	71.8	176.8	-70.4	-13.7	0	0	0	114.3	K165 E171 S452 A508	K165-D506 IonicContact NZ-OD1 2.6Å; K165-D506 PolarHBondContact NZ-OD1 3.15Å; E171-D506 WeakPolarHBondContact OE1-CA 3.14Å; S452-D506 WeakPolarHBondContact CA-O 3.32Å; D506-A508 VanDerWaalsContact C-N 3.31Å; D506-A508 PolarHBondContact O-N 3.38Å
507	F	95.3	Very high	87.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.236	C	C	.	.			trans	-91.3	16.4	-176	-53.1	-75.2	0	0	0	114.2	E171 F174 Y175 T186 F449 M504 H509 T510	E171-F507 HydrophobicContact CG-CB 4.15Å; E171-F507 PolarHBondContact OE1-N 3.02Å; F174-F507 HydrophobicContact CB-CB 3.94Å; F174-F507 HydrophobicContact CD1-CB 3.5Å; F174-F507 AromaticContact CD1-CD1 3.72Å; F174-F507 HydrophobicContact CD1-CD1 3.72Å; F174-F507 AromaticContact CD1-CD2 3.4Å; F174-F507 HydrophobicContact CD1-CD2 3.4Å; F174-F507 VanDerWaalsContact CD1-CD2 3.4Å; F174-F507 HydrophobicContact CD1-CE1 4.28Å; F174-F507 HydrophobicContact CD1-CE2 4Å; F174-F507 AromaticContact CD1-CG 3.23Å; F174-F507 HydrophobicContact CD1-CG 3.23Å; F174-F507 HydrophobicContact CD1-CZ 4.39Å; F174-F507 HydrophobicContact CD2-CB 4.4Å; F174-F507 HydrophobicContact CD2-CD1 4.34Å; F174-F507 HydrophobicContact CD2-CG 4.44Å; F174-F507 HydrophobicContact CE1-CB 4.13Å; F174-F507 AromaticContact CE1-CD1 3.41Å; F174-F507 HydrophobicContact CE1-CD1 3.41Å; F174-F507 VanDerWaalsContact CE1-CD1 3.41Å; F174-F507 AromaticContact CE1-CD2 3.4Å; F174-F507 HydrophobicContact CE1-CD2 3.4Å; F174-F507 VanDerWaalsContact CE1-CD2 3.4Å; F174-F507 AromaticContact CE1-CE1 3.51Å; F174-F507 HydrophobicContact CE1-CE1 3.51Å; F174-F507 AromaticContact CE1-CE2 3.51Å; F174-F507 HydrophobicContact CE1-CE2 3.51Å; F174-F507 AromaticContact CE1-CG 3.34Å; F174-F507 HydrophobicContact CE1-CG 3.34Å; F174-F507 AromaticContact CE1-CZ 3.55Å; F174-F507 HydrophobicContact CE1-CZ 3.55Å; F174-F507 HydrophobicContact CE2-CD1 4.1Å; F174-F507 HydrophobicContact CE2-CE1 4.42Å; F174-F507 HydrophobicContact CG-CB 3.66Å; F174-F507 HydrophobicContact CG-CD1 4.18Å; F174-F507 HydrophobicContact CG-CD2 4.4Å; F174-F507 AromaticContact CG-CG 3.83Å; F174-F507 HydrophobicContact CG-CG 3.83Å; F174-F507 AromaticContact CZ-CD1 3.62Å; F174-F507 HydrophobicContact CZ-CD1 3.62Å; F174-F507 HydrophobicContact CZ-CD2 4.41Å; F174-F507 AromaticContact CZ-CE1 3.6Å; F174-F507 HydrophobicContact CZ-CE1 3.6Å; F174-F507 HydrophobicContact CZ-CE2 4.39Å; F174-F507 HydrophobicContact CZ-CG 4.04Å; F174-F507 HydrophobicContact CZ-CZ 4Å; Y175-F507 HydrophobicContact CE1-CD2 4.47Å; Y175-F507 HydrophobicContact CE1-CE2 4.25Å; Y175-F507 AromaticContact CE2-CD2 3.85Å; Y175-F507 HydrophobicContact CE2-CD2 3.85Å; Y175-F507 HydrophobicContact CE2-CE2 4.32Å; Y175-F507 AromaticContact CZ-CD2 3.77Å; Y175-F507 AromaticContact CZ-CE2 3.76Å; Y175-F507 WeakPolarHBondContact OH-CE2 3.45Å; T186-F507 HydrophobicContact CG2-CE2 4.22Å; T186-F507 HydrophobicContact CG2-CZ 3.71Å; F449-F507 HydrophobicContact CD1-CD1 4.18Å; F449-F507 HydrophobicContact CD1-CE1 4.32Å; F449-F507 HydrophobicContact CE1-CD1 4.47Å; F449-F507 HydrophobicContact CE1-CE1 4.49Å; M504-F507 VanDerWaalsContact C-CZ 3.49Å; M504-F507 HydrophobicContact CB-CE1 3.85Å; M504-F507 HydrophobicContact CB-CZ 3.61Å; M504-F507 HydrophobicContact CE-CE1 4.35Å; M504-F507 WeakPolarHBondContact O-CZ 3.47Å; F507-H509 PolarHBondContact O-N 3.34Å; F507-H509 VanDerWaalsContact O-N 3.15Å; F507-T510 WeakPolarHBondContact CA-OG1 3.31Å; F507-T510 WeakPolarHBondContact O-CB 3.23Å; F507-T510 PolarHBondContact O-N 2.87Å; F507-T510 VanDerWaalsContact O-N 3.14Å; F507-T510 PolarHBondContact O-OG1 3.18Å
508	A	92.7	Very high	88.7	Confident	24 Å²	24	37.3 Å²	37.3	20%	0.198	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-20.6	-174.3	0	0	0	0	0	115	V168 E171 D506	V168-A508 HydrophobicContact CB-CB 4.46Å; V168-A508 HydrophobicContact CG1-CB 4.02Å; E171-A508 HydrophobicContact CB-CB 4.47Å; D506-A508 VanDerWaalsContact C-N 3.31Å; D506-A508 PolarHBondContact O-N 3.38Å
509	H	92.9	Very high	89.6	Confident	36 Å²	36	41.7 Å²	41.7	17%	0.167	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	28.4	175.8	-57.4	-63.9	0	0	0	111.9	D354 K359 Y450 F507	D354-H509 IonicContact OD1-ND1 3.8Å; D354-H509 IonicContact OD2-CE1 3.29Å; D354-H509 IonicContact OD2-ND1 3.54Å; D354-H509 PolarHBondContact OD2-ND1 3.09Å; K359-H509 PolarHBondContact NZ-CE1 3.27Å; K359-H509 PolarHBondContact NZ-NE2 3.24Å; Y450-H509 WeakPolarHBondContact O-CB 3.34Å; F507-H509 PolarHBondContact O-N 3.34Å; F507-H509 VanDerWaalsContact O-N 3.15Å
510	T	93.1	Very high	89.8	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	134.2	170.3	-62.5	0	0	0	0	109.8	R170 F174 Y447 R448 F449 F507 Y515	R170-T510 VanDerWaalsContact CD-O 3.22Å; R170-T510 WeakPolarHBondContact CD-O 3.45Å; R170-T510 WeakPolarHBondContact CG-O 3.4Å; F174-T510 HydrophobicContact CD2-CG2 3.79Å; F174-T510 HydrophobicContact CE2-CG2 4.25Å; Y447-T510 HydrophobicContact CD1-CG2 4.12Å; R448-T510 CarbonylContact O-C 3.5Å; R448-T510 VanDerWaalsContact O-CA 3.22Å; R448-T510 WeakPolarHBondContact O-CA 3.47Å; R448-T510 WeakPolarHBondContact O-CG2 3.23Å; F449-T510 HydrophobicContact CD1-CG2 3.92Å; F449-T510 HydrophobicContact CE1-CG2 3.95Å; F507-T510 WeakPolarHBondContact CA-OG1 3.31Å; F507-T510 WeakPolarHBondContact O-CB 3.23Å; F507-T510 PolarHBondContact O-N 2.87Å; F507-T510 VanDerWaalsContact O-N 3.14Å; F507-T510 PolarHBondContact O-OG1 3.18Å; T510-Y515 HydrophobicContact CG2-CE2 4.42Å
511	T	92.1	Very high	89.5	Confident	7 Å²	7	45.8 Å²	45.8	4%	0.043	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	151.7	171.2	63.1	0	0	0	0	110.3	Y447 R448 D518	Y447-T511 WeakPolarHBondContact CA-O 3.5Å; R448-T511 PolarHBondContact N-O 2.8Å; R448-T511 PolarHBondContact O-N 3.41Å; T511-D518 WeakPolarHBondContact CA-OD2 3.39Å; T511-D518 VanDerWaalsContact CB-OD2 3.22Å; T511-D518 WeakPolarHBondContact CB-OD2 3.29Å
512	C	90.2	Very high	89.2	Confident	6 Å²	6	46.9 Å²	46.9	4%	0.041	26%	0.264	C	S	.	.			trans	-157.8	144.5	178.8	178.8	0	0	0	0	109.9	Y447 L514 Y515 D518	Y447-C512 HydrophobicContact CD1-CB 3.87Å; Y447-C512 HydrophobicContact CE1-CB 3.78Å; Y447-C512 HydrophobicContact CG-CB 4.34Å; Y447-C512 VanDerWaalsContact CZ-SG 3.57Å; C512-L514 PolarHBondContact O-N 3.4Å; C512-Y515 HydrophobicContact CB-CD1 4.13Å; C512-Y515 HydrophobicContact CB-CD2 3.88Å; C512-Y515 HydrophobicContact CB-CE1 3.94Å; C512-Y515 HydrophobicContact CB-CE2 3.7Å; C512-Y515 HydrophobicContact CB-CG 4.1Å; C512-Y515 PolarHBondContact O-N 3.39Å; C512-D518 PolarHBondContact N-OD2 3.04Å
513	R	88.1	Confident	88.8	Confident	115 Å²	115	53.7 Å²	53.7	43%	0.434	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-53	-30.8	177.4	-178.4	176.8	-61.2	-163.9	-4.6	113.3	S446 Y515 V521 H522 E523	S446-R513 WeakPolarHBondContact OG-CB 3.5Å; S446-R513 PolarHBondContact OG-N 2.79Å; R513-Y515 VanDerWaalsContact C-N 3.28Å; R513-Y515 PolarHBondContact O-N 2.8Å; R513-V521 HydrophobicContact CB-CG1 4.02Å; R513-V521 HydrophobicContact CG-CG1 3.83Å; R513-H522 PolarHBondContact NH2-O 3.33Å; R513-E523 IonicContact CZ-OE1 3.55Å; R513-E523 IonicContact NH1-OE1 3.59Å; R513-E523 IonicContact NH2-OE1 2.76Å; R513-E523 PolarHBondContact NH2-OE1 2.79Å
514	L	84.9	Confident	88.5	Confident	140 Å²	140	54.1 Å²	54.1	73%	0.733	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-73.9	-13.3	-177.8	-59.7	177.5	0	0	0	114.1	C512	C512-L514 PolarHBondContact O-N 3.4Å
515	Y	85.1	Confident	88.3	Confident	10 Å²	10	58 Å²	58	4%	0.039	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-78.9	-18.8	-173.9	-63.5	-15.5	0	0	0	114.1	Q173 F174 T177 T510 C512 R513 E517	Q173-Y515 HydrophobicContact CG-CD1 4.16Å; Q173-Y515 HydrophobicContact CG-CE1 4.2Å; F174-Y515 WeakPolarHBondContact CA-OH 3.27Å; F174-Y515 WeakPolarHBondContact CD2-OH 3.44Å; T177-Y515 WeakPolarHBondContact OG1-CE1 3.33Å; T510-Y515 HydrophobicContact CG2-CE2 4.42Å; C512-Y515 HydrophobicContact CB-CD1 4.13Å; C512-Y515 HydrophobicContact CB-CD2 3.88Å; C512-Y515 HydrophobicContact CB-CE1 3.94Å; C512-Y515 HydrophobicContact CB-CE2 3.7Å; C512-Y515 HydrophobicContact CB-CG 4.1Å; C512-Y515 PolarHBondContact O-N 3.39Å; R513-Y515 VanDerWaalsContact C-N 3.28Å; R513-Y515 PolarHBondContact O-N 2.8Å; Y515-E517 PolarHBondContact O-N 2.95Å
516	G	74.5	Confident	88.3	Confident	76 Å²	76	57.4 Å²	57.4	78%	0.784	32%	0.323	S	S	*	.	S	Bend	trans	67.2	-20.8	173.1	0	0	0	0	0	116.7
517	E	76.8	Confident	88.4	Confident	135 Å²	135	58.5 Å²	58.5	63%	0.631	34%	0.337	S	S	*	.			trans	-92.4	-18.9	-179.8	-63.6	174.4	165.9	0	0	113.5	R170 Y515	R170-E517 IonicContact CZ-OE2 2.68Å; R170-E517 IonicContact NH1-OE2 3.94Å; R170-E517 PolarHBondContact NH1-OE2 2.9Å; R170-E517 IonicContact NH2-OE2 2.68Å; R170-E517 PolarHBondContact NH2-OE2 3.16Å; Y515-E517 PolarHBondContact O-N 2.95Å
518	D	81.4	Confident	88.4	Confident	35 Å²	35	59.1 Å²	59.1	19%	0.187	34%	0.344	C	S	.	.			trans	-74.8	126.8	-174.4	-67.5	-25.3	0	0	0	110.7	R170 T511 C512 V520	R170-D518 IonicContact CZ-OD1 2.91Å; R170-D518 IonicContact NE-OD1 3.48Å; R170-D518 PolarHBondContact NE-OD1 3.36Å; R170-D518 IonicContact NH2-OD1 2.85Å; R170-D518 PolarHBondContact NH2-OD1 2.99Å; T511-D518 WeakPolarHBondContact CA-OD2 3.39Å; T511-D518 VanDerWaalsContact CB-OD2 3.22Å; T511-D518 WeakPolarHBondContact CB-OD2 3.29Å; C512-D518 PolarHBondContact N-OD2 3.04Å; D518-V520 PolarHBondContact O-N 2.92Å
519	T	79.8	Confident	88.6	Confident	130 Å²	130	58 Å²	58	80%	0.798	34%	0.335	S	S	*	.	S	Bend	trans	-70.6	-19	-179.6	52.6	0	0	0	0	113.7
520	V	85.8	Confident	88.9	Confident	61 Å²	61	56.9 Å²	56.9	37%	0.37	33%	0.33	S	S	.	.	S	Bend	trans	-120.4	114.3	178.8	-178.2	0	0	0	0	108.3	D353 D518	D353-V520 HydrophobicContact CB-CB 4.14Å; D353-V520 HydrophobicContact CB-CG2 3.95Å; D518-V520 PolarHBondContact O-N 2.92Å
521	V	87.1	Confident	89.1	Confident	86 Å²	86	61.2 Å²	61.2	52%	0.521	35%	0.349	S	S	.	.			trans	-92.2	120.3	172	179.5	0	0	0	0	108.6	R513	R513-V521 HydrophobicContact CB-CG1 4.02Å; R513-V521 HydrophobicContact CG-CG1 3.83Å
522	H	89.8	Confident	89.4	Confident	30 Å²	30	60.9 Å²	60.9	14%	0.139	35%	0.347	C	S	.	.			trans	-88.3	155.4	176.7	-65.5	-91.5	0	0	0	111.5	D353 S446 R448 Y450 R513	D353-H522 IonicContact OD1-NE2 2.88Å; D353-H522 IonicContact OD2-CD2 3.84Å; D353-H522 IonicContact OD2-CE1 2.9Å; D353-H522 IonicContact OD2-NE2 3.53Å; D353-H522 PolarHBondContact OD2-NE2 2.92Å; S446-H522 WeakPolarHBondContact CB-O 3.26Å; R448-H522 HydrophobicContact CG-CB 3.96Å; Y450-H522 PolarHBondContact OH-CE1 3.3Å; R513-H522 PolarHBondContact NH2-O 3.33Å
523	E	89.2	Confident	89.8	Confident	143 Å²	143	60.6 Å²	60.6	67%	0.668	35%	0.345	S	S	*	.			trans	-123.4	150.3	175.7	-50.9	-139.5	108.9	0	0	110.5	R448 R513	R448-E523 PolarHBondContact NH2-O 3.42Å; R513-E523 IonicContact CZ-OE1 3.55Å; R513-E523 IonicContact NH1-OE1 3.59Å; R513-E523 IonicContact NH2-OE1 2.76Å; R513-E523 PolarHBondContact NH2-OE1 2.79Å
524	G	90.9	Very high	90.3	Very high	33 Å²	33	58.3 Å²	58.3	34%	0.34	34%	0.339	S	S	.	.	S	Bend	trans	62.2	-165	-176.7	0	0	0	0	0	114	S446 R448	S446-G524 PolarHBondContact N-O 3.32Å; R448-G524 PolarHBondContact NH1-O 2.83Å; R448-G524 PolarHBondContact NH2-O 3.41Å
525	Q	94	Very high	91	Very high	83 Å²	83	52.4 Å²	52.4	39%	0.388	31%	0.309	S	S	.	.			trans	-79.1	159.1	-171	67.2	-175.4	-2.6	0	0	115.2	R448 A527 I530	R448-Q525 VanDerWaalsContact NH1-C 3.31Å; R448-Q525 PolarHBondContact NH1-O 3.47Å; R448-Q525 PolarHBondContact NH2-O 2.83Å; Q525-A527 VanDerWaalsContact C-N 3.31Å; Q525-A527 PolarHBondContact O-N 2.86Å; Q525-I530 HydrophobicContact CB-CD1 3.65Å; Q525-I530 HydrophobicContact CG-CD1 3.82Å
526	D	96.1	Very high	91.6	Very high	14 Å²	14	52 Å²	52	8%	0.075	31%	0.308	C	S	.	.			trans	-75.7	80.5	171.2	-167.8	-23.3	0	0	0	111.1	R448 F449 G528 Y529 I530	R448-D526 WeakPolarHBondContact CA-OD2 3.49Å; F449-D526 HydrophobicContact CD2-CB 4.44Å; F449-D526 PolarHBondContact N-OD2 2.74Å; D526-G528 PolarHBondContact O-N 3Å; D526-G528 VanDerWaalsContact O-N 3.14Å; D526-G528 PolarHBondContact OD1-N 3.21Å; D526-Y529 PolarHBondContact O-N 3.43Å; D526-Y529 PolarHBondContact OD1-N 3.19Å; D526-I530 WeakPolarHBondContact O-CB 3.4Å; D526-I530 WeakPolarHBondContact O-CD1 3.21Å; D526-I530 WeakPolarHBondContact O-CG1 3.5Å; D526-I530 PolarHBondContact O-N 2.82Å
527	A	95.9	Very high	92.8	Very high	64 Å²	64	49.1 Å²	49.1	53%	0.529	28%	0.275	S	S	.	.	H	α-helix	trans	-56.1	-29.2	179.6	0	0	0	0	0	113.4	Q525 F531	Q525-A527 VanDerWaalsContact C-N 3.31Å; Q525-A527 PolarHBondContact O-N 2.86Å; A527-F531 WeakPolarHBondContact O-CB 3.08Å; A527-F531 PolarHBondContact O-N 3.12Å
528	G	96.4	Very high	93.8	Very high	14 Å²	14	46.5 Å²	46.5	14%	0.144	27%	0.265	C	S	.	.	H	α-helix	trans	-72.2	-42.6	179	0	0	0	0	0	112.3	G347 D526 G532	G347-G528 WeakPolarHBondContact CA-O 3.49Å; D526-G528 PolarHBondContact O-N 3Å; D526-G528 VanDerWaalsContact O-N 3.14Å; D526-G528 PolarHBondContact OD1-N 3.21Å; G528-G532 PolarHBondContact O-N 3.01Å
529	Y	97.6	Very high	94.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-70.2	-44.3	175.2	-161.4	-70.9	0	0	0	111.4	M346 L441 F449 S452 M504 D526 F531 G532 L533	M346-Y529 HydrophobicContact CB-CD1 4.43Å; M346-Y529 HydrophobicContact CB-CD2 3.54Å; M346-Y529 HydrophobicContact CB-CE1 4.23Å; M346-Y529 HydrophobicContact CB-CE2 3.32Å; M346-Y529 HydrophobicContact CB-CG 4.11Å; M346-Y529 HydrophobicContact CE-CE1 4.26Å; M346-Y529 HydrophobicContact CG-CD2 4.34Å; M346-Y529 HydrophobicContact CG-CE1 4.12Å; M346-Y529 HydrophobicContact CG-CE2 3.67Å; L441-Y529 HydrophobicContact CD1-CD1 3.46Å; L441-Y529 VanDerWaalsContact CD1-CD1 3.46Å; L441-Y529 HydrophobicContact CD1-CE1 3.51Å; L441-Y529 HydrophobicContact CD1-CG 4.32Å; F449-Y529 HydrophobicContact CB-CD2 3.75Å; F449-Y529 HydrophobicContact CB-CE2 4.07Å; F449-Y529 HydrophobicContact CG-CD2 4.47Å; S452-Y529 VanDerWaalsContact OG-CE2 3.31Å; S452-Y529 WeakPolarHBondContact OG-CE2 3.42Å; M504-Y529 HydrophobicContact CE-CE1 4.25Å; M504-Y529 HydrophobicContact CE-CE2 3.89Å; D526-Y529 PolarHBondContact O-N 3.43Å; D526-Y529 PolarHBondContact OD1-N 3.19Å; Y529-F531 PolarHBondContact O-N 3.08Å; Y529-G532 PolarHBondContact O-N 2.96Å; Y529-G532 VanDerWaalsContact O-N 3.14Å; Y529-L533 HydrophobicContact CD1-CD1 3.84Å; Y529-L533 HydrophobicContact CD1-CG 3.89Å; Y529-L533 HydrophobicContact CE1-CD1 3.74Å; Y529-L533 HydrophobicContact CE1-CD2 4.17Å; Y529-L533 HydrophobicContact CE1-CG 3.74Å; Y529-L533 PolarHBondContact O-N 2.77Å
530	I	98	Very high	95.4	Very high	13 Å²	13	39.2 Å²	39.2	7%	0.067	22%	0.221	C	C	.	.	H	α-helix	trans	-63.7	-40.6	-178.9	-69.3	161.8	0	0	0	111.3	K438 L441 E442 Q525 D526 G532 L533 Q534	K438-I530 HydrophobicContact CG-CG2 4.37Å; L441-I530 HydrophobicContact CB-CG1 4.39Å; E442-I530 HydrophobicContact CG-CD1 3.83Å; E442-I530 HydrophobicContact CG-CG1 4.36Å; E442-I530 HydrophobicContact CG-CG2 4.33Å; Q525-I530 HydrophobicContact CB-CD1 3.65Å; Q525-I530 HydrophobicContact CG-CD1 3.82Å; D526-I530 WeakPolarHBondContact O-CB 3.4Å; D526-I530 WeakPolarHBondContact O-CD1 3.21Å; D526-I530 WeakPolarHBondContact O-CG1 3.5Å; D526-I530 PolarHBondContact O-N 2.82Å; I530-G532 VanDerWaalsContact C-N 3.34Å; I530-G532 PolarHBondContact O-N 3.3Å; I530-L533 PolarHBondContact O-N 3.06Å; I530-Q534 PolarHBondContact O-N 3.39Å
531	F	98.4	Very high	96	Very high	91 Å²	91	38.4 Å²	38.4	40%	0.399	22%	0.216	S	C	.	.	H	α-helix	trans	-58.5	-44.8	172	175.6	-111.3	0	0	0	112	T348 V374 A527 Y529 L533 Q534 S535	T348-F531 HydrophobicContact CG2-CD1 3.73Å; T348-F531 HydrophobicContact CG2-CE1 4.12Å; V374-F531 WeakPolarHBondContact O-CE1 3.29Å; V374-F531 WeakPolarHBondContact O-CZ 3.25Å; A527-F531 WeakPolarHBondContact O-CB 3.08Å; A527-F531 PolarHBondContact O-N 3.12Å; Y529-F531 PolarHBondContact O-N 3.08Å; F531-L533 VanDerWaalsContact C-N 3.34Å; F531-L533 PolarHBondContact O-N 3.46Å; F531-Q534 PolarHBondContact O-N 3.49Å; F531-S535 PolarHBondContact O-N 2.76Å; F531-S535 PolarHBondContact O-OG 3.2Å
532	G	98.3	Very high	96.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.5	-33.6	175.9	0	0	0	0	0	114.1	M346 G528 Y529 I530 L536	M346-G532 VanDerWaalsContact CE-C 3.48Å; G528-G532 PolarHBondContact O-N 3.01Å; Y529-G532 PolarHBondContact O-N 2.96Å; Y529-G532 VanDerWaalsContact O-N 3.14Å; I530-G532 VanDerWaalsContact C-N 3.34Å; I530-G532 PolarHBondContact O-N 3.3Å; G532-L536 WeakPolarHBondContact O-CB 3.36Å; G532-L536 PolarHBondContact O-N 3.45Å
533	L	98.3	Very high	96.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-68.2	-43.9	171.3	-80.3	178.1	0	0	0	112	M346 L434 L437 K438 L441 L454 Y529 I530 F531 L536 I537	M346-L533 HydrophobicContact CE-CD2 3.86Å; M346-L533 HydrophobicContact CE-CG 3.96Å; L434-L533 HydrophobicContact CD2-CD2 4.03Å; L437-L533 HydrophobicContact CD2-CD1 4.26Å; L437-L533 HydrophobicContact CD2-CD2 4.1Å; L437-L533 HydrophobicContact CG-CD1 4.04Å; K438-L533 HydrophobicContact CB-CD1 4.14Å; L441-L533 HydrophobicContact CD1-CD1 3.8Å; L454-L533 HydrophobicContact CD2-CD2 3.86Å; Y529-L533 HydrophobicContact CD1-CD1 3.84Å; Y529-L533 HydrophobicContact CD1-CG 3.89Å; Y529-L533 HydrophobicContact CE1-CD1 3.74Å; Y529-L533 HydrophobicContact CE1-CD2 4.17Å; Y529-L533 HydrophobicContact CE1-CG 3.74Å; Y529-L533 PolarHBondContact O-N 2.77Å; I530-L533 PolarHBondContact O-N 3.06Å; F531-L533 VanDerWaalsContact C-N 3.34Å; F531-L533 PolarHBondContact O-N 3.46Å; L533-L536 PolarHBondContact O-N 2.83Å; L533-I537 VanDerWaalsContact O-CG1 3.31Å; L533-I537 WeakPolarHBondContact O-CG1 3.45Å; L533-I537 PolarHBondContact O-N 2.85Å
534	Q	98.6	Very high	96.7	Very high	67 Å²	67	31.2 Å²	31.2	31%	0.313	18%	0.182	S	C	.	.	H	α-helix	trans	-61.3	-50.7	178.9	-170.9	61.5	54.4	0	0	110.5	I530 F531 L536 I537 D538	I530-Q534 PolarHBondContact O-N 3.39Å; F531-Q534 PolarHBondContact O-N 3.49Å; Q534-L536 PolarHBondContact O-N 2.91Å; Q534-I537 WeakPolarHBondContact O-CB 3.44Å; Q534-I537 PolarHBondContact O-N 2.91Å; Q534-D538 PolarHBondContact NE2-OD1 2.83Å; Q534-D538 PolarHBondContact O-N 3.37Å
535	S	98.5	Very high	96.6	Very high	15 Å²	15	36.1 Å²	36.1	11%	0.105	20%	0.196	C	C	.	.	H	α-helix	trans	-58.8	-32.1	176.4	-62.1	0	0	0	0	113.3	I375 F531 I539	I375-S535 WeakPolarHBondContact O-CB 3.47Å; I375-S535 PolarHBondContact O-OG 2.82Å; F531-S535 PolarHBondContact O-N 2.76Å; F531-S535 PolarHBondContact O-OG 3.2Å; S535-I539 WeakPolarHBondContact O-CB 3.46Å; S535-I539 WeakPolarHBondContact O-CD1 3.39Å; S535-I539 WeakPolarHBondContact O-CG1 3.44Å; S535-I539 PolarHBondContact O-N 3.18Å
536	L	98.6	Very high	95.9	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.016	21%	0.207	C	C	.	.	H	α-helix	trans	-71.4	-40.7	174	-179.1	62.7	0	0	0	112.2	L344 F408 L412 L434 L454 G532 L533 Q534 V540	L344-L536 HydrophobicContact CD1-CD1 3.81Å; L344-L536 HydrophobicContact CD1-CD2 3.53Å; L344-L536 HydrophobicContact CD1-CG 4.34Å; F408-L536 HydrophobicContact CE1-CD1 4.41Å; F408-L536 HydrophobicContact CZ-CD1 4.3Å; L412-L536 HydrophobicContact CD1-CD1 3.65Å; L412-L536 HydrophobicContact CD2-CD1 4.25Å; L434-L536 HydrophobicContact CD1-CD2 4.05Å; L434-L536 HydrophobicContact CD1-CG 3.93Å; L434-L536 HydrophobicContact CD2-CD2 3.77Å; L454-L536 HydrophobicContact CD2-CD2 3.84Å; G532-L536 WeakPolarHBondContact O-CB 3.36Å; G532-L536 PolarHBondContact O-N 3.45Å; L533-L536 PolarHBondContact O-N 2.83Å; Q534-L536 PolarHBondContact O-N 2.91Å; L536-V540 HydrophobicContact CD1-CG2 4.09Å; L536-V540 WeakPolarHBondContact O-CB 3.3Å; L536-V540 VanDerWaalsContact O-CG2 3.23Å; L536-V540 WeakPolarHBondContact O-CG2 3.32Å; L536-V540 PolarHBondContact O-N 3.42Å
537	I	98.6	Very high	94.2	Very high	15 Å²	15	38.8 Å²	38.8	8%	0.077	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-47.6	174.6	-70.1	162.9	0	0	0	109.9	L431 L434 K438 L533 Q534 I539 V540 T541	L431-I537 HydrophobicContact CD2-CG2 4.16Å; L431-I537 WeakPolarHBondContact CD2-O 3.47Å; L434-I537 HydrophobicContact CB-CD1 4.04Å; L434-I537 HydrophobicContact CB-CG1 3.6Å; L434-I537 HydrophobicContact CD1-CG1 4.08Å; L434-I537 HydrophobicContact CG-CG1 4.46Å; K438-I537 HydrophobicContact CB-CD1 4.42Å; K438-I537 HydrophobicContact CD-CD1 4.17Å; L533-I537 VanDerWaalsContact O-CG1 3.31Å; L533-I537 WeakPolarHBondContact O-CG1 3.45Å; L533-I537 PolarHBondContact O-N 2.85Å; Q534-I537 WeakPolarHBondContact O-CB 3.44Å; Q534-I537 PolarHBondContact O-N 2.91Å; I537-I539 PolarHBondContact O-N 3.42Å; I537-V540 PolarHBondContact O-N 2.78Å; I537-T541 WeakPolarHBondContact O-CB 3.33Å; I537-T541 PolarHBondContact O-N 3.41Å; I537-T541 PolarHBondContact O-OG1 3.08Å
538	D	98.4	Very high	92.1	Very high	79 Å²	79	38.7 Å²	38.7	42%	0.422	22%	0.216	S	C	.	.	H	α-helix	trans	-59.4	-48.7	-178.5	-56.4	-25.2	0	0	0	110.9	Q534 T541 E542	Q534-D538 PolarHBondContact NE2-OD1 2.83Å; Q534-D538 PolarHBondContact O-N 3.37Å; D538-T541 WeakPolarHBondContact O-CB 3.26Å; D538-T541 PolarHBondContact O-N 2.84Å; D538-E542 WeakPolarHBondContact O-CB 3.17Å; D538-E542 PolarHBondContact O-N 3.01Å
539	I	98.1	Very high	89.1	Confident	10 Å²	10	49.8 Å²	49.8	5%	0.051	26%	0.264	C	S	.	.	H	α-helix	trans	-67	-38.4	179.6	-67	167.3	0	0	0	112.3	I375 F408 K409 L412 S535 I537 T541 I543	I375-I539 HydrophobicContact CD1-CD1 4.09Å; F408-I539 HydrophobicContact CD1-CD1 3.92Å; F408-I539 HydrophobicContact CE1-CD1 4.03Å; K409-I539 HydrophobicContact CB-CG2 4.16Å; K409-I539 HydrophobicContact CD-CG2 4.43Å; K409-I539 HydrophobicContact CG-CD1 4.39Å; K409-I539 HydrophobicContact CG-CG1 4.34Å; K409-I539 HydrophobicContact CG-CG2 3.78Å; L412-I539 HydrophobicContact CD1-CB 4.42Å; L412-I539 HydrophobicContact CD1-CG2 3.67Å; S535-I539 WeakPolarHBondContact O-CB 3.46Å; S535-I539 WeakPolarHBondContact O-CD1 3.39Å; S535-I539 WeakPolarHBondContact O-CG1 3.44Å; S535-I539 PolarHBondContact O-N 3.18Å; I537-I539 PolarHBondContact O-N 3.42Å; I539-T541 VanDerWaalsContact C-N 3.3Å; I539-I543 HydrophobicContact CG2-CD1 3.99Å; I539-I543 VanDerWaalsContact O-CG1 3.3Å; I539-I543 WeakPolarHBondContact O-CG1 3.23Å; I539-I543 PolarHBondContact O-N 3.39Å
540	V	97.6	Very high	88.7	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.012	28%	0.277	C	S	.	.	H	α-helix	trans	-71.8	-29.1	177.4	175.7	0	0	0	0	111.2	L412 F416 L427 V430 L431 L536 I537 S544	L412-V540 HydrophobicContact CD1-CG2 4.23Å; F416-V540 HydrophobicContact CE2-CG2 4.49Å; L427-V540 HydrophobicContact CD2-CG1 4.09Å; V430-V540 HydrophobicContact CG1-CG1 4.23Å; L431-V540 HydrophobicContact CD1-CG1 4.3Å; L431-V540 HydrophobicContact CD2-CB 3.78Å; L431-V540 HydrophobicContact CD2-CG1 3.69Å; L431-V540 HydrophobicContact CG-CB 4.41Å; L431-V540 HydrophobicContact CG-CG1 3.74Å; L536-V540 HydrophobicContact CD1-CG2 4.09Å; L536-V540 WeakPolarHBondContact O-CB 3.3Å; L536-V540 VanDerWaalsContact O-CG2 3.23Å; L536-V540 WeakPolarHBondContact O-CG2 3.32Å; L536-V540 PolarHBondContact O-N 3.42Å; I537-V540 PolarHBondContact O-N 2.78Å; V540-S544 PolarHBondContact O-N 3.06Å
541	T	97.5	Very high	88.2	Confident	45 Å²	45	54.3 Å²	54.3	28%	0.276	29%	0.288	S	S	.	.	H	α-helix	trans	-68.2	-49.2	172.4	-52.7	0	0	0	0	110.3	L431 I537 D538 I539 I543 S544 E545	L431-T541 WeakPolarHBondContact CD2-OG1 3.31Å; I537-T541 WeakPolarHBondContact O-CB 3.33Å; I537-T541 PolarHBondContact O-N 3.41Å; I537-T541 PolarHBondContact O-OG1 3.08Å; D538-T541 WeakPolarHBondContact O-CB 3.26Å; D538-T541 PolarHBondContact O-N 2.84Å; I539-T541 VanDerWaalsContact C-N 3.3Å; T541-I543 PolarHBondContact O-N 2.92Å; T541-S544 WeakPolarHBondContact O-CA 3.49Å; T541-S544 VanDerWaalsContact O-CB 3.25Å; T541-S544 WeakPolarHBondContact O-CB 3.44Å; T541-S544 PolarHBondContact O-N 2.76Å; T541-E545 PolarHBondContact O-N 3.42Å
542	E	95.7	Very high	87.7	Confident	56 Å²	56	52.3 Å²	52.3	26%	0.262	28%	0.282	S	S	.	.	H	α-helix	trans	-53.6	-47.8	174.5	-177.8	-179.5	-150.5	0	0	112	K409 D538 S544 E545 E546	K409-E542 WeakPolarHBondContact CD-OE2 3.47Å; K409-E542 WeakPolarHBondContact CE-OE2 3.28Å; K409-E542 IonicContact NZ-OE1 2.69Å; K409-E542 PolarHBondContact NZ-OE1 3.18Å; K409-E542 IonicContact NZ-OE2 2.68Å; K409-E542 PolarHBondContact NZ-OE2 3.47Å; D538-E542 WeakPolarHBondContact O-CB 3.17Å; D538-E542 PolarHBondContact O-N 3.01Å; E542-S544 PolarHBondContact O-N 3.19Å; E542-E545 PolarHBondContact O-N 2.94Å; E542-E545 VanDerWaalsContact O-N 3.07Å; E542-E546 HydrophobicContact CG-CG 3.99Å; E542-E546 WeakPolarHBondContact O-CB 3.33Å; E542-E546 WeakPolarHBondContact O-CG 3.31Å; E542-E546 PolarHBondContact O-N 3.3Å
543	I	93.9	Very high	87	Confident	5 Å²	5	55.4 Å²	55.4	3%	0.026	30%	0.299	C	S	.	.	H	α-helix	trans	-60.2	-32.2	175	-70.3	165.4	0	0	0	112.4	L412 F413 L422 L427 I539 T541	L412-I543 HydrophobicContact CB-CD1 3.7Å; F413-I543 HydrophobicContact CD2-CG2 4.23Å; L422-I543 HydrophobicContact CD1-CG2 4.49Å; L422-I543 HydrophobicContact CD2-CG2 4.17Å; L427-I543 HydrophobicContact CD1-CG2 4.25Å; L427-I543 HydrophobicContact CD2-CG2 4.42Å; I539-I543 HydrophobicContact CG2-CD1 3.99Å; I539-I543 VanDerWaalsContact O-CG1 3.3Å; I539-I543 WeakPolarHBondContact O-CG1 3.23Å; I539-I543 PolarHBondContact O-N 3.39Å; T541-I543 PolarHBondContact O-N 2.92Å
544	S	91.5	Very high	86.3	Confident	47 Å²	47	58.8 Å²	58.8	33%	0.329	32%	0.317	S	S	.	.	H	α-helix	trans	-73.6	-30.8	176.8	-166.5	0	0	0	0	112.6	V540 T541 E542	V540-S544 PolarHBondContact O-N 3.06Å; T541-S544 WeakPolarHBondContact O-CA 3.49Å; T541-S544 VanDerWaalsContact O-CB 3.25Å; T541-S544 WeakPolarHBondContact O-CB 3.44Å; T541-S544 PolarHBondContact O-N 2.76Å; E542-S544 PolarHBondContact O-N 3.19Å
545	E	88.9	Confident	85.5	Confident	135 Å²	135	58.3 Å²	58.3	63%	0.631	32%	0.318	S	S	*	.	H	α-helix	trans	-88.3	-52.5	-177.4	-69.2	174.9	174.9	0	0	112.2	T541 E542 S547 G548	T541-E545 PolarHBondContact O-N 3.42Å; E542-E545 PolarHBondContact O-N 2.94Å; E542-E545 VanDerWaalsContact O-N 3.07Å; E545-S547 PolarHBondContact O-N 3.15Å; E545-G548 PolarHBondContact O-N 3.47Å
546	E	78.6	Confident	84.6	Confident	130 Å²	130	61.4 Å²	61.4	61%	0.607	33%	0.333	S	S	*	.	H	α-helix	trans	-55.8	-30.4	-175.6	-76.5	-171.8	147.5	0	0	113.6	E542 G548	E542-E546 HydrophobicContact CG-CG 3.99Å; E542-E546 WeakPolarHBondContact O-CB 3.33Å; E542-E546 WeakPolarHBondContact O-CG 3.31Å; E542-E546 PolarHBondContact O-N 3.3Å; E546-G548 VanDerWaalsContact C-N 3.33Å
547	S	61.3	Low	83.5	Confident	24 Å²	24	65.8 Å²	65.8	17%	0.168	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	1.1	-178.8	-58.3	0	0	0	0	112.2	R424 E545 E549	R424-S547 VanDerWaalsContact NH1-CB 3.26Å; R424-S547 PolarHBondContact NH1-O 3.26Å; R424-S547 PolarHBondContact NH2-O 3.21Å; E545-S547 PolarHBondContact O-N 3.15Å; S547-E549 VanDerWaalsContact C-N 3.32Å
548	G	51.3	Low	82.3	Confident	61 Å²	61	70.1 Å²	70.1	63%	0.629	38%	0.381	S	S	*	.			trans	-79.2	-10	-176.4	0	0	0	0	0	115.3	E545 E546	E545-G548 PolarHBondContact O-N 3.47Å; E546-G548 VanDerWaalsContact C-N 3.33Å
549	E	34.6	Very low	80.8	Confident	247 Å²	247	69.3 Å²	69.3	100%	1.154	38%	0.377	S	S	*	.			trans	-95.1	0	172.7	-58.6	-173.5	154.9	0	0	111.9	S547	S547-E549 VanDerWaalsContact C-N 3.32Å

Retrieved 549 of 549 residues in 704.1 ms (Link to these results)

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