A0A087XZF1_POEFO Loading...

Receptor-type tyrosine-protein phosphatase alpha

Tyrosine protein phosphatase which is involved in integrin-mediated focal adhesion formation. Following integrin engagement, specifically recruits BCAR3, BCAR1 and CRK to focal adhesions thereby promoting SRC-mediated phosphorylation of BRAC1 and the subsequent activation of PAK and small GTPase RAC1 and CDC42.

AlphaFold DB , UniProt , Accession A0A087XZF1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 789 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	30	Very low	29.3	Very low	215 Å²	215	144.9 Å²	144.9	100%	1.059	82%	0.816	S	S	*	*				0	150.4	0	-78.3	-54.5	-164.8	0	0	108.2	T3	M1-T3 HydrophobicContact SD-CG2 4.03Å
2	P	41.4	Very low	29.3	Very low	113 Å²	113	143.8 Å²	143.8	73%	0.734	81%	0.814	S	S	*	*			cis	-97.5	136.7	11.5	39.1	-34.8	0	0	0	113.5
3	T	33.1	Very low	29.1	Very low	115 Å²	115	142.1 Å²	142.1	71%	0.706	82%	0.815	S	S	*	*				66.4	142	103.4	73.2	0	0	0	0	116	M1	M1-T3 HydrophobicContact SD-CG2 4.03Å
4	S	28.3	Very low	29.3	Very low	98 Å²	98	140.4 Å²	140.4	69%	0.685	81%	0.811	S	S	*	*			cis	-157.1	142.1	25.3	56.7	0	0	0	0	117
5	L	29.3	Very low	29.2	Very low	146 Å²	146	142.5 Å²	142.5	76%	0.764	82%	0.818	S	S	*	*			trans	65.4	125.8	137.4	-64.7	169.5	0	0	0	124.3
6	L	29.4	Very low	29.3	Very low	139 Å²	139	144.4 Å²	144.4	73%	0.728	82%	0.823	S	S	*	*			trans	67.6	149.1	136.8	-65.5	169.4	0	0	0	119.1
7	Q	24.8	Very low	29.4	Very low	179 Å²	179	146.3 Å²	146.3	84%	0.836	83%	0.829	S	S	*	*			cis	-157.1	148.5	-2	-147.7	163.6	5.1	0	0	109.7
8	G	24.5	Very low	29.4	Very low	77 Å²	77	147.7 Å²	147.7	79%	0.794	83%	0.833	S	S	*	*			trans	176.4	78.7	177.3	0	0	0	0	0	119.1
9	R	27.4	Very low	29.4	Very low	252 Å²	252	149.3 Å²	149.3	95%	0.951	84%	0.838	S	S	*	*			trans	7.6	120.7	165.6	-73	179.9	167.7	167.8	-3.7	120.3
10	M	28.4	Very low	29.3	Very low	179 Å²	179	146.8 Å²	146.8	88%	0.882	84%	0.837	S	S	*	*			trans	-80.6	154.3	151.8	-64.3	-177.1	-70.3	0	0	111.3
11	G	26	Very low	29.3	Very low	81 Å²	81	147 Å²	147	84%	0.835	84%	0.841	S	S	*	*			trans	-111.3	130.9	161.2	0	0	0	0	0	110.2
12	V	29.2	Very low	29.3	Very low	131 Å²	131	141.1 Å²	141.1	79%	0.794	83%	0.826	S	S	*	*			trans	-128.3	132.7	-179.8	-177.9	0	0	0	0	108.8
13	C	26.5	Very low	28.7	Very low	122 Å²	122	144.4 Å²	144.4	82%	0.824	84%	0.837	S	S	*	*			trans	-93.7	140.3	-178.3	-146.6	0	0	0	0	110.8
14	P	31.4	Very low	28.3	Very low	118 Å²	118	142.9 Å²	142.9	77%	0.766	84%	0.844	S	S	*	*			trans	-92.5	108.5	-166.3	33.9	-33.3	0	0	0	113.6
15	L	28.3	Very low	28.2	Very low	173 Å²	173	142.6 Å²	142.6	91%	0.906	85%	0.847	S	S	*	*			trans	-153.5	45.4	168.1	-153.4	80.1	0	0	0	114.3
16	L	31.4	Very low	28.2	Very low	173 Å²	173	142.1 Å²	142.1	91%	0.906	85%	0.851	S	S	*	*			trans	-150.2	24.4	-178.2	-121.6	165.4	0	0	0	115.1
17	L	30.7	Very low	28.2	Very low	176 Å²	176	140 Å²	140	92%	0.921	85%	0.853	S	S	*	*			trans	-127.6	54.6	-172.9	-152.7	104.2	0	0	0	113.3
18	L	29.4	Very low	28.3	Very low	171 Å²	171	140.5 Å²	140.5	90%	0.895	86%	0.855	S	S	*	*	S	Bend	trans	-150.7	22.1	-179.7	-123.9	169.7	0	0	0	115.3
19	L	28.3	Very low	28.5	Very low	179 Å²	179	144.3 Å²	144.3	94%	0.937	86%	0.858	S	S	*	*	S	Bend	trans	-148.7	51.4	-174.6	-116.3	162.2	0	0	0	113.7
20	A	28	Very low	28.7	Very low	99 Å²	99	138.1 Å²	138.1	82%	0.818	85%	0.85	S	S	*	*			trans	-155.3	39.8	176.6	0	0	0	0	0	114.6
21	V	30.2	Very low	28.7	Very low	152 Å²	152	138.2 Å²	138.2	92%	0.921	85%	0.848	S	S	*	*			trans	-134.3	79.9	173.9	-171.9	0	0	0	0	111
22	A	28.6	Very low	28.8	Very low	91 Å²	91	142.4 Å²	142.4	75%	0.752	85%	0.85	S	S	*	*	S	Bend	trans	-158	147.7	163.2	0	0	0	0	0	109.3
23	L	28.6	Very low	28.7	Very low	182 Å²	182	142 Å²	142	95%	0.953	85%	0.848	S	S	*	*			trans	60.6	92.1	174.3	-55.1	174.9	0	0	0	115.8
24	G	25.3	Very low	28.9	Very low	83 Å²	83	143.5 Å²	143.5	86%	0.856	85%	0.853	S	S	*	*			trans	-104.1	140.3	158.9	0	0	0	0	0	111
25	A	27.3	Very low	28.8	Very low	91 Å²	91	142.1 Å²	142.1	75%	0.752	85%	0.852	S	S	*	*			trans	-147.7	105.3	172.7	0	0	0	0	0	112.3
26	T	29.4	Very low	29.1	Very low	136 Å²	136	139.6 Å²	139.6	83%	0.834	85%	0.846	S	S	*	*			trans	45	96.8	140.3	57.4	0	0	0	0	120.9
27	A	28.7	Very low	29.3	Very low	94 Å²	94	137.5 Å²	137.5	78%	0.777	84%	0.843	S	S	*	*				35.8	125.1	122.6	0	0	0	0	0	121.6
28	Q	27.2	Very low	29.3	Very low	190 Å²	190	133.8 Å²	133.8	89%	0.888	84%	0.837	S	S	*	*				-177.9	135.9	101.8	-97.9	177.7	-12.6	0	0	112.4
29	D	28.9	Very low	29.5	Very low	158 Å²	158	132.3 Å²	132.3	85%	0.845	84%	0.836	S	S	*	*			trans	-85.2	152.2	163.1	-93	-44.2	0	0	0	110.6
30	P	31.5	Very low	29.7	Very low	121 Å²	121	129.5 Å²	129.5	79%	0.786	83%	0.828	S	S	*	*			trans	-132.5	133.8	131.7	35.3	-25.4	0	0	0	113.4
31	Q	28.3	Very low	29.7	Very low	181 Å²	181	129.4 Å²	129.4	85%	0.846	83%	0.827	S	S	*	*			trans	-71.7	141.8	170.7	-62.1	177.2	-35.4	0	0	111.9
32	I	27.5	Very low	30.4	Very low	169 Å²	169	127.5 Å²	127.5	87%	0.867	82%	0.818	S	S	*	*			trans	-136.4	139.1	140.7	-64	-169.2	0	0	0	108.9
33	T	27.6	Very low	30.3	Very low	124 Å²	124	130 Å²	130	76%	0.761	82%	0.824	S	S	*	*			trans	-90.9	156	-178.7	36	0	0	0	0	113.7
34	T	29.3	Very low	30.3	Very low	152 Å²	152	127.3 Å²	127.3	93%	0.933	82%	0.816	S	S	*	*			trans	-158.4	152	148.3	6.7	0	0	0	0	109.6
35	A	30.8	Very low	30.5	Very low	89 Å²	89	132.7 Å²	132.7	74%	0.736	82%	0.818	S	S	*	*			trans	-105	155.4	-171.5	0	0	0	0	0	112.8
36	P	34.7	Very low	30.5	Very low	121 Å²	121	137 Å²	137	79%	0.786	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-75.1	146.2	175.8	31.5	-35.1	0	0	0	112.3
37	P	34.2	Very low	30.4	Very low	129 Å²	129	136.3 Å²	136.3	84%	0.838	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-77.3	151.7	177.4	32.1	-35.1	0	0	0	112.6
38	A	30.8	Very low	30.3	Very low	97 Å²	97	138.9 Å²	138.9	80%	0.802	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-91.4	152.6	-177.8	0	0	0	0	0	113.8
39	T	34	Very low	30.4	Very low	141 Å²	141	135.6 Å²	135.6	87%	0.865	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-82.5	133.7	177.6	-42.4	0	0	0	0	112.2
40	P	32.3	Very low	30.4	Very low	119 Å²	119	135.4 Å²	135.4	77%	0.773	82%	0.821	S	S	*	*			trans	-105.8	145.7	169.1	36.7	-30.2	0	0	0	113.6
41	A	29.3	Very low	30.3	Very low	97 Å²	97	134.5 Å²	134.5	80%	0.802	82%	0.824	S	S	*	*			trans	-159.7	166.9	162.6	0	0	0	0	0	107.8
42	P	44	Very low	30.3	Very low	112 Å²	112	132.7 Å²	132.7	73%	0.727	83%	0.825	S	S	*	*			cis	-124.1	-178	-7.2	41.7	-28.3	0	0	0	112.7
43	T	27	Very low	30.4	Very low	145 Å²	145	129.9 Å²	129.9	89%	0.89	82%	0.816	S	S	*	*			trans	-150.8	142.7	149.9	-41.9	0	0	0	0	110.6
44	T	29.2	Very low	30.5	Very low	125 Å²	125	131.9 Å²	131.9	77%	0.767	82%	0.821	S	S	*	*			trans	-113.8	140	-175.3	-28.7	0	0	0	0	110.8
45	Q	28.2	Very low	30.5	Very low	196 Å²	196	133.2 Å²	133.2	92%	0.916	82%	0.816	S	S	*	*			trans	-138.6	156.2	158.3	-79.1	-161.5	-16	0	0	111
46	Q	27.3	Very low	30.3	Very low	182 Å²	182	132.8 Å²	132.8	85%	0.85	82%	0.821	S	S	*	*			trans	-98.7	153.4	-169.3	-58.6	163	-61.9	0	0	112.1
47	S	27.7	Very low	30	Very low	120 Å²	120	133.4 Å²	133.4	84%	0.839	82%	0.823	S	S	*	*			trans	-152	145.5	141.1	55	0	0	0	0	110.1
48	N	26.8	Very low	29.7	Very low	148 Å²	148	133.2 Å²	133.2	79%	0.791	82%	0.819	S	S	*	*			trans	-98	150.7	-176.2	-63.7	-23	0	0	0	111.2
49	S	29.8	Very low	29.7	Very low	122 Å²	122	134.5 Å²	134.5	85%	0.853	82%	0.817	S	S	*	*			trans	-145.1	148.4	147.3	58.6	0	0	0	0	109.9
50	N	28.2	Very low	29.4	Very low	154 Å²	154	134.7 Å²	134.7	82%	0.824	82%	0.818	S	S	*	*			trans	-94	147.7	-164.1	-59.7	-28.3	0	0	0	112.6
51	A	29.8	Very low	29.3	Very low	101 Å²	101	137.5 Å²	137.5	84%	0.835	82%	0.821	S	S	*	*			trans	-130.9	132.9	158.6	0	0	0	0	0	109
52	T	28.5	Very low	30.3	Very low	144 Å²	144	137.4 Å²	137.4	88%	0.883	81%	0.812	S	S	*	*			trans	-96.4	144.2	-164.6	-49.9	0	0	0	0	112.7
53	T	27.9	Very low	30.2	Very low	110 Å²	110	138.2 Å²	138.2	68%	0.675	82%	0.817	S	S	*	*			trans	-82.2	136.7	-175.4	-47.6	0	0	0	0	114.4	Q55	T53-Q55 HydrophobicContact CG2-CG 4.2Å
54	I	30.7	Very low	30.3	Very low	166 Å²	166	136.7 Å²	136.7	85%	0.851	81%	0.808	S	S	*	*			trans	-142.4	97.8	142.9	-53.7	-178.1	0	0	0	105.3
55	Q	29.4	Very low	30.3	Very low	179 Å²	179	136.3 Å²	136.3	84%	0.836	81%	0.805	S	S	*	*				57.9	126.1	86.5	-81.5	-165.8	-14.3	0	0	115.8	T53	T53-Q55 HydrophobicContact CG2-CG 4.2Å
56	G	27.5	Very low	30.3	Very low	81 Å²	81	134.3 Å²	134.3	84%	0.835	80%	0.801	S	S	*	*			trans	169.7	61.8	-177.8	0	0	0	0	0	114.6
57	T	28.3	Very low	30.4	Very low	134 Å²	134	130.3 Å²	130.3	82%	0.822	79%	0.793	S	S	*	*			trans	-66.3	162.8	164.6	33.5	0	0	0	0	110.7
58	T	27.8	Very low	30.4	Very low	125 Å²	125	129 Å²	129	77%	0.767	79%	0.789	S	S	*	*			cis	-158.6	167.9	38	-33.3	0	0	0	0	112
59	T	29.4	Very low	30.6	Very low	124 Å²	124	128.4 Å²	128.4	76%	0.761	79%	0.791	S	S	*	*			trans	-69.2	164.1	168.1	46.2	0	0	0	0	113.7
60	V	29.3	Very low	30.5	Very low	145 Å²	145	132 Å²	132	88%	0.879	79%	0.794	S	S	*	*				-173	150.7	125.1	142.6	0	0	0	0	109.8
61	E	29.5	Very low	30.6	Very low	178 Å²	178	133.5 Å²	133.5	83%	0.832	80%	0.796	S	S	*	*			trans	-113.8	-162.5	-177.3	-141	-167.5	-161.1	0	0	111.1
62	P	50.9	Low	30.5	Very low	94 Å²	94	134.6 Å²	134.6	61%	0.61	80%	0.798	S	S	*	*			trans	-94.8	-178	-135.7	43.4	-33.4	0	0	0	114.7
63	P	41.7	Very low	30.5	Very low	129 Å²	129	134.3 Å²	134.3	84%	0.838	80%	0.796	S	S	*	*			trans	-125.2	165.3	142.7	37.6	-28.7	0	0	0	113.4
64	T	28.7	Very low	30.5	Very low	114 Å²	114	133.5 Å²	133.5	70%	0.699	80%	0.8	S	S	*	*			trans	-122.4	175.4	-171.7	55.2	0	0	0	0	113.6
65	T	29.2	Very low	30.4	Very low	117 Å²	117	131.8 Å²	131.8	72%	0.718	80%	0.798	S	S	*	*			trans	67	119.3	147.8	39.7	0	0	0	0	120.7
66	N	28.6	Very low	30.4	Very low	154 Å²	154	132.3 Å²	132.3	82%	0.824	80%	0.8	S	S	*	*				175.2	157.8	122.7	-88.6	-14.6	0	0	0	109.7
67	S	29	Very low	30.5	Very low	98 Å²	98	134.8 Å²	134.8	69%	0.685	80%	0.799	S	S	*	*			cis	177.7	172	-34.9	50.9	0	0	0	0	108.2
68	A	28.3	Very low	31.3	Very low	92 Å²	92	133.4 Å²	133.4	76%	0.76	79%	0.793	S	S	*	*			trans	77.8	129.4	-172.1	0	0	0	0	0	114.2
69	V	29.5	Very low	31.5	Very low	135 Å²	135	135.1 Å²	135.1	82%	0.818	79%	0.792	S	S	*	*			cis	91.4	110.2	23.2	-178.2	0	0	0	0	114.5
70	E	28.8	Very low	31.4	Very low	199 Å²	199	135.6 Å²	135.6	93%	0.93	79%	0.79	S	S	*	*			trans	-156	153.7	139.6	-127.8	169.1	-154.3	0	0	109.9
71	E	29.2	Very low	31.5	Very low	184 Å²	184	135.7 Å²	135.7	86%	0.86	79%	0.786	S	S	*	*			trans	-115.1	150.3	-174.5	-66	178.5	107.5	0	0	112
72	S	28.3	Very low	31.5	Very low	124 Å²	124	132.9 Å²	132.9	87%	0.867	78%	0.776	S	S	*	*			trans	-158.5	136.5	150.4	58.7	0	0	0	0	112.3
73	T	28.1	Very low	30.6	Very low	138 Å²	138	137.1 Å²	137.1	85%	0.847	79%	0.785	S	S	*	*			trans	-128.9	125.7	-178.6	48.6	0	0	0	0	112.7
74	A	28.1	Very low	29.9	Very low	93 Å²	93	137.7 Å²	137.7	77%	0.769	78%	0.781	S	S	*	*			trans	-167.4	137	152.7	0	0	0	0	0	106.3
75	T	29.7	Very low	30	Very low	131 Å²	131	142.6 Å²	142.6	80%	0.804	79%	0.788	S	S	*	*			cis	73.3	88.1	24.2	-44.2	0	0	0	0	114.2
76	E	29	Very low	30	Very low	189 Å²	189	142.9 Å²	142.9	88%	0.883	79%	0.785	S	S	*	*			trans	-169.8	145.3	136.2	-110.7	168.6	-153.9	0	0	114.2
77	T	29.7	Very low	30	Very low	133 Å²	133	141 Å²	141	82%	0.816	78%	0.78	S	S	*	*			trans	-142.4	152.5	160.1	22.4	0	0	0	0	104.8
78	P	44.2	Very low	29.9	Very low	106 Å²	106	140.9 Å²	140.9	69%	0.688	78%	0.779	S	S	*	*				-159.1	-160.8	56.5	44.3	-21	0	0	0	117.2
79	E	31.7	Very low	29.9	Very low	161 Å²	161	140.9 Å²	140.9	75%	0.752	77%	0.773	S	S	*	*			trans	80.6	114.5	145.7	-81.9	177.4	-156.2	0	0	124.5
80	N	29.1	Very low	29.9	Very low	133 Å²	133	142.5 Å²	142.5	71%	0.711	77%	0.769	S	S	*	*				46.8	124.7	121.9	-63.8	-15	0	0	0	122.8
81	N	29.9	Very low	30	Very low	147 Å²	147	138.3 Å²	138.3	79%	0.786	75%	0.753	S	S	*	*				-170.9	126.9	111.8	-89.7	-68.6	0	0	0	106.5
82	D	30	Very low	29.8	Very low	119 Å²	119	135.7 Å²	135.7	64%	0.636	75%	0.75	S	S	*	*			cis	79.8	105.6	46.3	-170.2	45.9	0	0	0	115.1
83	K	31.4	Very low	30.6	Very low	184 Å²	184	135.1 Å²	135.1	80%	0.8	74%	0.744	S	S	*	*				179.8	148.5	127.8	-98.3	152.7	-168.9	162.4	0	116.2
84	N	28.2	Very low	30.6	Very low	140 Å²	140	133.1 Å²	133.1	75%	0.749	74%	0.741	S	S	*	*			trans	-83.1	165.7	172.8	-69.8	-42	0	0	0	113.4
85	Y	30.6	Very low	30.6	Very low	218 Å²	218	133.7 Å²	133.7	86%	0.855	75%	0.746	S	S	*	*				169.5	118.1	123.1	-98.5	-77.2	0	0	0	106.7
86	D	28.4	Very low	30.4	Very low	122 Å²	122	131 Å²	131	65%	0.652	74%	0.743	S	S	*	*			cis	100.1	136.5	30.2	-170.6	33.5	0	0	0	114
87	T	28.2	Very low	31.4	Very low	116 Å²	116	127.3 Å²	127.3	71%	0.712	74%	0.736	S	S	*	*			trans	57.8	160.4	177.9	58.7	0	0	0	0	119.6
88	S	28.1	Very low	31.5	Very low	94 Å²	94	127.5 Å²	127.5	66%	0.657	73%	0.732	S	S	*	*			cis	-166.7	165.3	-36.8	61.6	0	0	0	0	112
89	S	28.7	Very low	30.8	Very low	93 Å²	93	129 Å²	129	65%	0.65	73%	0.734	S	S	*	*			trans	61.9	115.8	141.2	64.6	0	0	0	0	123.3
90	K	29.7	Very low	30.8	Very low	169 Å²	169	126.2 Å²	126.2	74%	0.735	73%	0.732	S	S	*	*				99.4	138.7	114.3	-84.3	179.5	141.5	-78.8	0	123.8
91	D	29.1	Very low	30.9	Very low	111 Å²	111	124.8 Å²	124.8	59%	0.594	73%	0.733	S	S	*	*			trans	67.2	109.1	143.2	-51.8	-14.1	0	0	0	122.7
92	T	25.8	Very low	31	Very low	129 Å²	129	125 Å²	125	79%	0.791	73%	0.733	S	S	*	*				21	159.4	118	21.9	0	0	0	0	121.9
93	P	44.8	Very low	31.1	Very low	112 Å²	112	123.2 Å²	123.2	73%	0.727	73%	0.73	S	S	*	*			cis	-148.6	-179.2	13.7	43	-22.4	0	0	0	120.1
94	A	28.2	Very low	31.1	Very low	95 Å²	95	121.8 Å²	121.8	79%	0.785	73%	0.731	S	S	*	*			trans	90.2	149.1	133.2	0	0	0	0	0	124.7
95	A	27.3	Very low	31.2	Very low	106 Å²	106	123 Å²	123	88%	0.876	73%	0.732	S	S	*	*			trans	82.5	124.3	155.6	0	0	0	0	0	121.1
96	G	25.5	Very low	31.2	Very low	73 Å²	73	119 Å²	119	75%	0.753	73%	0.725	S	S	*	*			trans	-104.8	-131.2	162.3	0	0	0	0	0	110.5
97	P	51.3	Low	31.2	Very low	112 Å²	112	119.7 Å²	119.7	73%	0.727	73%	0.728	S	S	*	*			cis	-138.4	-144.3	2.4	40.3	-18	0	0	0	112.8
98	N	30.7	Very low	31.3	Very low	137 Å²	137	118.5 Å²	118.5	73%	0.733	72%	0.724	S	S	*	*			trans	83.4	137.1	161.1	-70.9	-14.1	0	0	0	119.2
99	N	30.6	Very low	31.3	Very low	138 Å²	138	120.8 Å²	120.8	74%	0.738	74%	0.735	S	S	*	*			cis	-163.2	175.4	-13.6	-144.9	-15.9	0	0	0	114.2
100	S	30.8	Very low	31.5	Very low	102 Å²	102	125 Å²	125	71%	0.713	74%	0.744	S	S	*	*			trans	82.5	141.3	154.8	75	0	0	0	0	120.4
101	S	32.4	Very low	32.8	Very low	104 Å²	104	122.5 Å²	122.5	73%	0.727	75%	0.745	S	S	*	*			cis	-173.5	170	-25.8	49	0	0	0	0	112
102	I	30.3	Very low	33.8	Very low	151 Å²	151	122.6 Å²	122.6	77%	0.774	75%	0.752	S	S	*	*			trans	97.3	87.3	158.9	-57.2	178.4	0	0	0	118.2
103	S	32.7	Very low	33.9	Very low	82 Å²	82	122.5 Å²	122.5	57%	0.573	75%	0.751	S	S	*	*			trans	53.9	119.3	130.8	68.4	0	0	0	0	124.4
104	D	30.7	Very low	33.3	Very low	153 Å²	153	126.3 Å²	126.3	82%	0.818	76%	0.756	S	S	*	*				68.9	147.8	119.7	-47.8	-26.9	0	0	0	121
105	E	31.1	Very low	34	Very low	165 Å²	165	127.2 Å²	127.2	77%	0.771	76%	0.755	S	S	*	*			cis	-147.9	147.6	14.2	-149.7	-177.2	178.2	0	0	115.2
106	L	29.8	Very low	34	Very low	136 Å²	136	126.8 Å²	126.8	71%	0.712	75%	0.751	S	S	*	*			trans	54.1	111.9	154.8	-106.8	65.7	0	0	0	125
107	N	30	Very low	34	Very low	136 Å²	136	131.9 Å²	131.9	73%	0.727	76%	0.76	S	S	*	*				49.2	123.7	127.6	-73.6	-5.1	0	0	0	122.4
108	S	29.5	Very low	32.9	Very low	90 Å²	90	131.6 Å²	131.6	63%	0.629	76%	0.761	S	S	*	*				79.6	142.7	58	88	0	0	0	0	113.5
109	T	28.7	Very low	32.9	Very low	142 Å²	142	129.2 Å²	129.2	87%	0.871	76%	0.76	S	S	*	*			cis	-139.2	171.5	47.8	13	0	0	0	0	117.3
110	E	32.2	Very low	32.8	Very low	181 Å²	181	130.1 Å²	130.1	85%	0.846	76%	0.763	S	S	*	*			trans	-94	171	-160.4	-68.2	-175.1	106.9	0	0	117.5
111	P	56.5	Low	32.6	Very low	117 Å²	117	131.3 Å²	131.3	76%	0.76	77%	0.766	S	S	*	*			trans	-82	-131.1	166.7	38.2	-37.5	0	0	0	111.7
112	P	50.8	Low	32.3	Very low	113 Å²	113	131.9 Å²	131.9	73%	0.734	77%	0.765	S	S	*	*			cis	-103.4	-141.2	16.1	18.1	8	0	0	0	112.5
113	T	28	Very low	32.2	Very low	128 Å²	128	131.7 Å²	131.7	79%	0.785	76%	0.764	S	S	*	*			cis	-159.8	179.5	14.2	-33.7	0	0	0	0	112.4
114	K	32.4	Very low	31.9	Very low	191 Å²	191	133.9 Å²	133.9	83%	0.83	78%	0.775	S	S	*	*			trans	-112	-168.8	171.4	-59.1	-179.6	178.9	176	0	109.1
115	P	42	Very low	31.7	Very low	115 Å²	115	132.1 Å²	132.1	75%	0.747	77%	0.77	S	S	*	*			cis	-145.7	177.4	2.9	45.5	-26.1	0	0	0	119.1
116	A	26.9	Very low	31.6	Very low	96 Å²	96	131.5 Å²	131.5	79%	0.793	77%	0.77	S	S	*	*			trans	53.8	148.7	140.1	0	0	0	0	0	124.4
117	L	26.8	Very low	31.5	Very low	180 Å²	180	130.3 Å²	130.3	94%	0.942	77%	0.769	S	S	*	*			trans	-152.4	162.4	159.4	-151.3	84.1	0	0	0	110.8
118	S	27.7	Very low	31.6	Very low	107 Å²	107	130 Å²	130	75%	0.748	77%	0.771	S	S	*	*			trans	-156.8	152.3	-178.2	56.8	0	0	0	0	114.6
119	A	30.1	Very low	31.6	Very low	87 Å²	87	135.4 Å²	135.4	72%	0.719	78%	0.784	S	S	*	*			trans	62.1	89.6	155.7	0	0	0	0	0	121.9
120	I	29.1	Very low	32.1	Very low	157 Å²	157	135.5 Å²	135.5	81%	0.805	78%	0.778	S	S	*	*				55.7	151.3	113.7	-59.8	170.1	0	0	0	121.4
121	T	27.3	Very low	32.3	Very low	127 Å²	127	132.6 Å²	132.6	78%	0.779	77%	0.774	S	S	*	*			trans	79	140.2	168.9	14	0	0	0	0	116.9
122	T	26.4	Very low	31.7	Very low	115 Å²	115	134.5 Å²	134.5	71%	0.706	78%	0.778	S	S	*	*			cis	-148.5	143.6	9.4	-53.1	0	0	0	0	113.4
123	I	28.3	Very low	31.6	Very low	147 Å²	147	136.3 Å²	136.3	75%	0.754	78%	0.781	S	S	*	*			trans	-1.8	130.5	155.7	-38.9	162.5	0	0	0	119.3
124	T	26	Very low	32.6	Very low	129 Å²	129	137 Å²	137	79%	0.791	78%	0.779	S	S	*	*				169.4	134.4	114.4	-63	0	0	0	0	115.4
125	T	26.3	Very low	33.9	Very low	116 Å²	116	131.8 Å²	131.8	71%	0.712	76%	0.76	S	S	*	*			trans	-33.3	144.2	169.2	-34.2	0	0	0	0	119.7
126	I	28.4	Very low	34.7	Very low	152 Å²	152	132.1 Å²	132.1	78%	0.779	76%	0.755	S	S	*	*				171.5	115.3	118.9	-86.2	166.9	0	0	0	114.2
127	T	27.9	Very low	36.1	Very low	111 Å²	111	135.1 Å²	135.1	68%	0.681	75%	0.751	S	S	*	*			trans	41.7	103.1	135.4	-42	0	0	0	0	122.8
128	T	32.1	Very low	37.5	Very low	128 Å²	128	129.1 Å²	129.1	79%	0.785	72%	0.724	S	S	*	*			trans	48	124.8	143.7	65.4	0	0	0	0	122.3
129	K	29.2	Very low	39.5	Very low	204 Å²	204	127.6 Å²	127.6	89%	0.887	71%	0.71	S	S	*	*				-153.9	142.1	118.8	-110.2	172.6	-176.1	179.2	0	110.1
130	I	40.6	Very low	41.3	Very low	145 Å²	145	128.2 Å²	128.2	74%	0.744	70%	0.7	S	S	*	*			trans	-92.9	136.5	172.2	-63.7	170.1	0	0	0	108.4
131	P	34.5	Very low	43.2	Very low	119 Å²	119	123.7 Å²	123.7	77%	0.773	69%	0.686	S	S	*	*			trans	-106.9	124.1	148.5	7.4	13.3	0	0	0	109.5	D133	P131-D133 PolarHBondContact O-N 2.68Å
132	D	45.5	Very low	45.5	Very low	157 Å²	157	121.8 Å²	121.8	84%	0.84	67%	0.674	S	S	*	*			trans	-78.9	108.4	171.6	-64.1	-68.2	0	0	0	110.2
133	D	47.6	Very low	47.7	Very low	151 Å²	151	122.2 Å²	122.2	81%	0.807	67%	0.669	S	S	*	*			trans	-159.2	88.2	152.1	-157.8	-1.1	0	0	0	109.6	P131	P131-D133 PolarHBondContact O-N 2.68Å
134	I	48.6	Very low	50.3	Low	142 Å²	142	119.3 Å²	119.3	73%	0.728	66%	0.658	S	S	*	*			trans	-103	110.2	172.5	-64.3	-179.2	0	0	0	107.4	D136	I134-D136 PolarHBondContact O-N 2.98Å
135	D	60.4	Low	52.7	Low	83 Å²	83	116 Å²	116	44%	0.444	65%	0.645	S	S	.	*			trans	-41.7	104.1	-177.1	170.8	48.8	0	0	0	113.6	K137 S138	D135-K137 PolarHBondContact O-N 2.76Å; D135-K137 WeakPolarHBondContact OD1-CB 3.25Å; D135-K137 PolarHBondContact OD1-N 3.48Å; D135-S138 WeakPolarHBondContact O-CB 3.38Å; D135-S138 PolarHBondContact O-N 2.85Å; D135-S138 PolarHBondContact O-OG 3.1Å; D135-S138 PolarHBondContact OD2-N 2.73Å
136	D	59.7	Low	55.3	Low	121 Å²	121	115.2 Å²	115.2	65%	0.647	64%	0.635	S	S	*	*	H	α-helix	trans	-51.3	-31.7	177.1	-95.6	-38.4	0	0	0	112.3	I134 S138 V139 I140	I134-D136 PolarHBondContact O-N 2.98Å; D136-S138 VanDerWaalsContact C-N 3.31Å; D136-S138 PolarHBondContact O-N 2.63Å; D136-V139 PolarHBondContact O-N 2.85Å; D136-I140 HydrophobicContact CB-CD1 4.32Å; D136-I140 WeakPolarHBondContact O-CB 3.5Å; D136-I140 WeakPolarHBondContact O-CD1 3.48Å; D136-I140 WeakPolarHBondContact O-CG1 3.06Å; D136-I140 PolarHBondContact O-N 2.84Å
137	K	56	Low	57.6	Low	159 Å²	159	111.2 Å²	111.2	69%	0.691	62%	0.621	S	S	*	*	H	α-helix	trans	-64.8	-36.7	-179.4	-60.6	168.9	-177.5	163.1	0	111.6	D135 A141	D135-K137 PolarHBondContact O-N 2.76Å; D135-K137 WeakPolarHBondContact OD1-CB 3.25Å; D135-K137 PolarHBondContact OD1-N 3.48Å; K137-A141 VanDerWaalsContact O-CB 3.23Å; K137-A141 WeakPolarHBondContact O-CB 3.34Å; K137-A141 PolarHBondContact O-N 2.84Å
138	S	56.6	Low	60.1	Low	54 Å²	54	108.7 Å²	108.7	38%	0.378	61%	0.608	S	S	.	*	H	α-helix	trans	-63.1	-44.3	175.4	73.4	0	0	0	0	112	D135 D136 A141 V142	D135-S138 WeakPolarHBondContact O-CB 3.38Å; D135-S138 PolarHBondContact O-N 2.85Å; D135-S138 PolarHBondContact O-OG 3.1Å; D135-S138 PolarHBondContact OD2-N 2.73Å; D136-S138 VanDerWaalsContact C-N 3.31Å; D136-S138 PolarHBondContact O-N 2.63Å; S138-A141 PolarHBondContact O-N 3.02Å; S138-V142 WeakPolarHBondContact O-CG2 3.5Å; S138-V142 PolarHBondContact O-N 2.88Å; S138-V142 VanDerWaalsContact O-N 3.16Å
139	V	68.2	Low	62.8	Low	75 Å²	75	107.1 Å²	107.1	46%	0.455	59%	0.594	S	S	.	*	H	α-helix	trans	-68.3	-44.9	178.9	-176.8	0	0	0	0	110.7	D136 A141 V142 M143	D136-V139 PolarHBondContact O-N 2.85Å; V139-A141 VanDerWaalsContact C-N 3.35Å; V139-A141 PolarHBondContact O-N 2.83Å; V139-V142 PolarHBondContact O-N 2.84Å; V139-M143 HydrophobicContact CG1-CG 4.47Å; V139-M143 WeakPolarHBondContact O-CB 3.42Å; V139-M143 VanDerWaalsContact O-CG 3.23Å; V139-M143 WeakPolarHBondContact O-CG 3.42Å; V139-M143 PolarHBondContact O-N 2.91Å
140	I	68.9	Low	65.5	Low	101 Å²	101	103 Å²	103	52%	0.518	58%	0.581	S	S	.	*	H	α-helix	trans	-62	-41.4	176.5	-68.7	166	0	0	0	110.9	D136 V142 M143 V144	D136-I140 HydrophobicContact CB-CD1 4.32Å; D136-I140 WeakPolarHBondContact O-CB 3.5Å; D136-I140 WeakPolarHBondContact O-CD1 3.48Å; D136-I140 WeakPolarHBondContact O-CG1 3.06Å; D136-I140 PolarHBondContact O-N 2.84Å; I140-V142 PolarHBondContact O-N 2.69Å; I140-M143 PolarHBondContact O-N 2.91Å; I140-V144 HydrophobicContact CG2-CG2 4.34Å; I140-V144 WeakPolarHBondContact O-CB 3.39Å; I140-V144 VanDerWaalsContact O-CG2 3.32Å; I140-V144 WeakPolarHBondContact O-CG2 3.38Å; I140-V144 PolarHBondContact O-N 2.84Å
141	A	68.7	Low	67.8	Low	61 Å²	61	100.1 Å²	100.1	50%	0.504	57%	0.57	S	S	.	*	H	α-helix	trans	-61.7	-43.1	177.2	0	0	0	0	0	112.4	K137 S138 V139 V144 A145	K137-A141 VanDerWaalsContact O-CB 3.23Å; K137-A141 WeakPolarHBondContact O-CB 3.34Å; K137-A141 PolarHBondContact O-N 2.84Å; S138-A141 PolarHBondContact O-N 3.02Å; V139-A141 VanDerWaalsContact C-N 3.35Å; V139-A141 PolarHBondContact O-N 2.83Å; A141-V144 PolarHBondContact O-N 3.01Å; A141-A145 WeakPolarHBondContact O-CB 3.27Å; A141-A145 PolarHBondContact O-N 3.48Å
142	V	74.9	Confident	70.5	Confident	88 Å²	88	98.9 Å²	98.9	53%	0.533	56%	0.556	S	S	.	*	H	α-helix	trans	-65.3	-42.9	175.4	173.2	0	0	0	0	111.3	S138 V139 I140 V144 A145 L146	S138-V142 WeakPolarHBondContact O-CG2 3.5Å; S138-V142 PolarHBondContact O-N 2.88Å; S138-V142 VanDerWaalsContact O-N 3.16Å; V139-V142 PolarHBondContact O-N 2.84Å; I140-V142 PolarHBondContact O-N 2.69Å; V142-V144 PolarHBondContact O-N 2.88Å; V142-A145 PolarHBondContact O-N 2.66Å; V142-L146 HydrophobicContact CG1-CD1 3.94Å; V142-L146 HydrophobicContact CG1-CG 4.44Å; V142-L146 WeakPolarHBondContact O-CG 3.27Å; V142-L146 PolarHBondContact O-N 2.72Å
143	M	73.9	Confident	72.6	Confident	123 Å²	123	95.1 Å²	95.1	61%	0.606	54%	0.535	S	S	*	.	H	α-helix	trans	-60.6	-42.4	176	-72.5	-84.4	-81.3	0	0	112.3	V139 I140 S147	V139-M143 HydrophobicContact CG1-CG 4.47Å; V139-M143 WeakPolarHBondContact O-CB 3.42Å; V139-M143 VanDerWaalsContact O-CG 3.23Å; V139-M143 WeakPolarHBondContact O-CG 3.42Å; V139-M143 PolarHBondContact O-N 2.91Å; I140-M143 PolarHBondContact O-N 2.91Å; M143-S147 WeakPolarHBondContact O-CB 3.46Å; M143-S147 PolarHBondContact O-N 3.43Å; M143-S147 PolarHBondContact O-OG 3.28Å
144	V	81.7	Confident	74.6	Confident	86 Å²	86	94.2 Å²	94.2	52%	0.521	52%	0.524	S	S	.	.	H	α-helix	trans	-67.7	-40.5	176.4	170.1	0	0	0	0	111.6	I140 A141 V142 S147 S148	I140-V144 HydrophobicContact CG2-CG2 4.34Å; I140-V144 WeakPolarHBondContact O-CB 3.39Å; I140-V144 VanDerWaalsContact O-CG2 3.32Å; I140-V144 WeakPolarHBondContact O-CG2 3.38Å; I140-V144 PolarHBondContact O-N 2.84Å; A141-V144 PolarHBondContact O-N 3.01Å; V142-V144 PolarHBondContact O-N 2.88Å; V144-S147 PolarHBondContact O-N 2.79Å; V144-S148 WeakPolarHBondContact O-CB 3.21Å; V144-S148 PolarHBondContact O-N 3.01Å; V144-S148 PolarHBondContact O-OG 2.89Å
145	A	78	Confident	76.6	Confident	61 Å²	61	91.5 Å²	91.5	50%	0.504	51%	0.51	S	S	.	.	H	α-helix	trans	-63.6	-45.3	176.7	0	0	0	0	0	112.2	A141 V142 S148 L149	A141-A145 WeakPolarHBondContact O-CB 3.27Å; A141-A145 PolarHBondContact O-N 3.48Å; V142-A145 PolarHBondContact O-N 2.66Å; A145-S148 PolarHBondContact O-N 2.61Å; A145-L149 PolarHBondContact O-N 2.95Å
146	L	79.6	Confident	78	Confident	98 Å²	98	92.4 Å²	92.4	51%	0.513	51%	0.514	S	S	.	.	H	α-helix	trans	-63.3	-42	175.2	-70.9	170.2	0	0	0	111.9	V142 S148 L149 L150	V142-L146 HydrophobicContact CG1-CD1 3.94Å; V142-L146 HydrophobicContact CG1-CG 4.44Å; V142-L146 WeakPolarHBondContact O-CG 3.27Å; V142-L146 PolarHBondContact O-N 2.72Å; L146-S148 VanDerWaalsContact C-N 3.35Å; L146-S148 PolarHBondContact O-N 2.74Å; L146-L149 PolarHBondContact O-N 3.04Å; L146-L150 WeakPolarHBondContact O-CG 3.18Å; L146-L150 PolarHBondContact O-N 3.18Å
147	S	77.8	Confident	79.4	Confident	68 Å²	68	91.1 Å²	91.1	48%	0.476	51%	0.506	S	S	.	.	H	α-helix	trans	-60.6	-44	175.2	-59.3	0	0	0	0	111.7	M143 V144 L150 V151	M143-S147 WeakPolarHBondContact O-CB 3.46Å; M143-S147 PolarHBondContact O-N 3.43Å; M143-S147 PolarHBondContact O-OG 3.28Å; V144-S147 PolarHBondContact O-N 2.79Å; S147-L150 PolarHBondContact O-N 3.4Å; S147-V151 WeakPolarHBondContact O-CG2 3.05Å; S147-V151 PolarHBondContact O-N 2.81Å; S147-V151 VanDerWaalsContact O-N 3.11Å
148	S	80.6	Confident	80.9	Confident	59 Å²	59	87.1 Å²	87.1	41%	0.413	49%	0.491	S	S	.	.	H	α-helix	trans	-63.8	-41.1	177.2	-57.8	0	0	0	0	112	V144 A145 L146 V151 I152	V144-S148 WeakPolarHBondContact O-CB 3.21Å; V144-S148 PolarHBondContact O-N 3.01Å; V144-S148 PolarHBondContact O-OG 2.89Å; A145-S148 PolarHBondContact O-N 2.61Å; L146-S148 VanDerWaalsContact C-N 3.35Å; L146-S148 PolarHBondContact O-N 2.74Å; S148-V151 PolarHBondContact O-N 3.47Å; S148-I152 VanDerWaalsContact O-CG1 3.31Å; S148-I152 WeakPolarHBondContact O-CG1 3.45Å; S148-I152 PolarHBondContact O-N 2.86Å
149	L	87.8	Confident	82.2	Confident	94 Å²	94	89.5 Å²	89.5	49%	0.492	50%	0.5	S	S	.	.	H	α-helix	trans	-62.5	-43.5	177.2	-173.3	67.3	0	0	0	111.9	A145 L146 I152 I153	A145-L149 PolarHBondContact O-N 2.95Å; L146-L149 PolarHBondContact O-N 3.04Å; L149-I152 PolarHBondContact O-N 3.46Å; L149-I153 HydrophobicContact CG-CD1 4.1Å; L149-I153 WeakPolarHBondContact O-CG1 3.26Å; L149-I153 PolarHBondContact O-N 3.17Å
150	L	85.5	Confident	83.1	Confident	119 Å²	119	93.5 Å²	93.5	62%	0.623	51%	0.508	S	S	*	.	H	α-helix	trans	-63.4	-40.3	176.3	-70.1	170.4	0	0	0	112.1	L146 S147 I153 F154	L146-L150 WeakPolarHBondContact O-CG 3.18Å; L146-L150 PolarHBondContact O-N 3.18Å; S147-L150 PolarHBondContact O-N 3.4Å; L150-I153 PolarHBondContact O-N 3.5Å; L150-F154 WeakPolarHBondContact O-CB 3.47Å; L150-F154 PolarHBondContact O-N 2.94Å
151	V	89.7	Confident	83.5	Confident	83 Å²	83	94.3 Å²	94.3	50%	0.503	51%	0.511	S	S	.	.	H	α-helix	trans	-63.6	-42.1	174.4	171	0	0	0	0	111.4	S147 S148 F154 I155	S147-V151 WeakPolarHBondContact O-CG2 3.05Å; S147-V151 PolarHBondContact O-N 2.81Å; S147-V151 VanDerWaalsContact O-N 3.11Å; S148-V151 PolarHBondContact O-N 3.47Å; V151-F154 PolarHBondContact O-N 3.27Å; V151-I155 HydrophobicContact CG1-CD1 3.81Å; V151-I155 HydrophobicContact CG1-CG1 4.47Å; V151-I155 VanDerWaalsContact O-CG1 3.3Å; V151-I155 WeakPolarHBondContact O-CG1 3.3Å; V151-I155 PolarHBondContact O-N 3.25Å
152	I	90.7	Very high	83.9	Confident	93 Å²	93	96.2 Å²	96.2	48%	0.477	51%	0.512	S	S	.	.	H	α-helix	trans	-62.4	-45.4	176.1	-69.4	163.5	0	0	0	111	S148 L149 F154 I155 I156	S148-I152 VanDerWaalsContact O-CG1 3.31Å; S148-I152 WeakPolarHBondContact O-CG1 3.45Å; S148-I152 PolarHBondContact O-N 2.86Å; L149-I152 PolarHBondContact O-N 3.46Å; I152-F154 VanDerWaalsContact C-N 3.34Å; I152-F154 PolarHBondContact O-N 3.33Å; I152-I155 PolarHBondContact O-N 3.25Å; I152-I156 HydrophobicContact CG2-CD1 3.89Å; I152-I156 VanDerWaalsContact O-CG1 3.32Å; I152-I156 WeakPolarHBondContact O-CG1 3.45Å; I152-I156 PolarHBondContact O-N 2.73Å
153	I	89.1	Confident	84	Confident	79 Å²	79	101 Å²	101	41%	0.405	52%	0.52	S	S	.	.	H	α-helix	trans	-60.8	-43.5	176.3	-69	165.5	0	0	0	110.8	L149 L150 I155 I156 I157	L149-I153 HydrophobicContact CG-CD1 4.1Å; L149-I153 WeakPolarHBondContact O-CG1 3.26Å; L149-I153 PolarHBondContact O-N 3.17Å; L150-I153 PolarHBondContact O-N 3.5Å; I153-I155 PolarHBondContact O-N 2.87Å; I153-I156 PolarHBondContact O-N 3.24Å; I153-I157 HydrophobicContact CG2-CD1 3.9Å; I153-I157 WeakPolarHBondContact O-CG1 3.44Å; I153-I157 PolarHBondContact O-N 3.37Å
154	F	91.1	Very high	83.7	Confident	131 Å²	131	101.1 Å²	101.1	58%	0.575	52%	0.518	S	S	*	.	H	α-helix	trans	-63.6	-40.7	177.4	-172.7	-110.4	0	0	0	112.5	L150 V151 I152 I157 I158	L150-F154 WeakPolarHBondContact O-CB 3.47Å; L150-F154 PolarHBondContact O-N 2.94Å; V151-F154 PolarHBondContact O-N 3.27Å; I152-F154 VanDerWaalsContact C-N 3.34Å; I152-F154 PolarHBondContact O-N 3.33Å; F154-I157 PolarHBondContact O-N 2.87Å; F154-I158 HydrophobicContact CD1-CD1 3.86Å; F154-I158 HydrophobicContact CE1-CD1 3.4Å; F154-I158 HydrophobicContact CE1-CG1 4.41Å; F154-I158 HydrophobicContact CE2-CD1 4.49Å; F154-I158 HydrophobicContact CZ-CD1 3.76Å; F154-I158 HydrophobicContact CZ-CG1 4.5Å; F154-I158 PolarHBondContact O-N 2.76Å
155	I	90.1	Very high	83	Confident	86 Å²	86	103.6 Å²	103.6	44%	0.441	52%	0.522	S	S	.	.	H	α-helix	trans	-63.4	-41.9	173.4	-70.6	166.7	0	0	0	111	V151 I152 I153 I157 I158 L159	V151-I155 HydrophobicContact CG1-CD1 3.81Å; V151-I155 HydrophobicContact CG1-CG1 4.47Å; V151-I155 VanDerWaalsContact O-CG1 3.3Å; V151-I155 WeakPolarHBondContact O-CG1 3.3Å; V151-I155 PolarHBondContact O-N 3.25Å; I152-I155 PolarHBondContact O-N 3.25Å; I153-I155 PolarHBondContact O-N 2.87Å; I155-I157 PolarHBondContact O-N 2.86Å; I155-I158 PolarHBondContact O-N 2.87Å; I155-L159 HydrophobicContact CG2-CD1 3.86Å; I155-L159 HydrophobicContact CG2-CG 4.3Å; I155-L159 WeakPolarHBondContact O-CB 3.43Å; I155-L159 VanDerWaalsContact O-CG 3.3Å; I155-L159 WeakPolarHBondContact O-CG 3.21Å; I155-L159 PolarHBondContact O-N 2.95Å
156	I	90.4	Very high	82.2	Confident	102 Å²	102	108.2 Å²	108.2	52%	0.523	53%	0.53	S	S	.	.	H	α-helix	trans	-62	-42.6	175.6	-69.9	165.2	0	0	0	110.9	I152 I153 L159 Y160	I152-I156 HydrophobicContact CG2-CD1 3.89Å; I152-I156 VanDerWaalsContact O-CG1 3.32Å; I152-I156 WeakPolarHBondContact O-CG1 3.45Å; I152-I156 PolarHBondContact O-N 2.73Å; I153-I156 PolarHBondContact O-N 3.24Å; I156-L159 PolarHBondContact O-N 2.89Å; I156-Y160 WeakPolarHBondContact O-CB 3.41Å; I156-Y160 PolarHBondContact O-N 3.4Å
157	I	88.9	Confident	81	Confident	94 Å²	94	111.9 Å²	111.9	48%	0.482	54%	0.538	S	S	.	.	H	α-helix	trans	-63.5	-43.5	175.9	-68.6	165.4	0	0	0	111	I153 F154 I155 Y160 M161	I153-I157 HydrophobicContact CG2-CD1 3.9Å; I153-I157 WeakPolarHBondContact O-CG1 3.44Å; I153-I157 PolarHBondContact O-N 3.37Å; F154-I157 PolarHBondContact O-N 2.87Å; I155-I157 PolarHBondContact O-N 2.86Å; I157-Y160 PolarHBondContact O-N 2.85Å; I157-M161 HydrophobicContact CG2-CG 4.44Å; I157-M161 WeakPolarHBondContact O-CB 3.38Å; I157-M161 VanDerWaalsContact O-CG 3.25Å; I157-M161 WeakPolarHBondContact O-CG 3.35Å; I157-M161 PolarHBondContact O-N 2.86Å
158	I	86.1	Confident	79.7	Confident	74 Å²	74	116 Å²	116	38%	0.379	55%	0.548	S	S	.	.	H	α-helix	trans	-63.8	-44.7	175.6	-75.4	177.8	0	0	0	111.2	F154 I155 Y160 M161 L162	F154-I158 HydrophobicContact CD1-CD1 3.86Å; F154-I158 HydrophobicContact CE1-CD1 3.4Å; F154-I158 HydrophobicContact CE1-CG1 4.41Å; F154-I158 HydrophobicContact CE2-CD1 4.49Å; F154-I158 HydrophobicContact CZ-CD1 3.76Å; F154-I158 HydrophobicContact CZ-CG1 4.5Å; F154-I158 PolarHBondContact O-N 2.76Å; I155-I158 PolarHBondContact O-N 2.87Å; I158-Y160 VanDerWaalsContact C-N 3.33Å; I158-Y160 PolarHBondContact O-N 2.82Å; I158-M161 PolarHBondContact O-N 2.79Å; I158-L162 HydrophobicContact CG2-CD1 3.74Å; I158-L162 HydrophobicContact CG2-CG 4.24Å; I158-L162 WeakPolarHBondContact O-CB 3.39Å; I158-L162 VanDerWaalsContact O-CG 3.27Å; I158-L162 WeakPolarHBondContact O-CG 3.46Å; I158-L162 PolarHBondContact O-N 2.85Å
159	L	85.1	Confident	78.1	Confident	105 Å²	105	118.8 Å²	118.8	55%	0.55	55%	0.554	S	S	.	*	H	α-helix	trans	-63.5	-38.8	176.9	-72.9	171.9	0	0	0	111.8	I155 I156 R163	I155-L159 HydrophobicContact CG2-CD1 3.86Å; I155-L159 HydrophobicContact CG2-CG 4.3Å; I155-L159 WeakPolarHBondContact O-CB 3.43Å; I155-L159 VanDerWaalsContact O-CG 3.3Å; I155-L159 WeakPolarHBondContact O-CG 3.21Å; I155-L159 PolarHBondContact O-N 2.95Å; I156-L159 PolarHBondContact O-N 2.89Å; L159-R163 VanDerWaalsContact O-CB 3.26Å; L159-R163 WeakPolarHBondContact O-CB 3.41Å; L159-R163 PolarHBondContact O-N 3.43Å
160	Y	86.8	Confident	76	Confident	158 Å²	158	117.5 Å²	117.5	62%	0.62	56%	0.557	S	S	*	*	H	α-helix	trans	-62.7	-49	173	-175.6	-91.6	0	0	0	111.4	I156 I157 I158 L162 R163 F164	I156-Y160 WeakPolarHBondContact O-CB 3.41Å; I156-Y160 PolarHBondContact O-N 3.4Å; I157-Y160 PolarHBondContact O-N 2.85Å; I158-Y160 VanDerWaalsContact C-N 3.33Å; I158-Y160 PolarHBondContact O-N 2.82Å; Y160-L162 PolarHBondContact O-N 2.88Å; Y160-R163 PolarHBondContact O-N 2.76Å; Y160-F164 VanDerWaalsContact O-CB 3.31Å; Y160-F164 WeakPolarHBondContact O-CB 3.26Å; Y160-F164 PolarHBondContact O-N 2.92Å
161	M	78.1	Confident	74	Confident	119 Å²	119	115 Å²	115	59%	0.586	55%	0.553	S	S	*	*	H	α-helix	trans	-62.3	-39.9	177.5	-73.9	-72.4	-82.8	0	0	112.5	I157 I158 K165	I157-M161 HydrophobicContact CG2-CG 4.44Å; I157-M161 WeakPolarHBondContact O-CB 3.38Å; I157-M161 VanDerWaalsContact O-CG 3.25Å; I157-M161 WeakPolarHBondContact O-CG 3.35Å; I157-M161 PolarHBondContact O-N 2.86Å; I158-M161 PolarHBondContact O-N 2.79Å; M161-K165 VanDerWaalsContact O-CB 3.27Å; M161-K165 WeakPolarHBondContact O-CB 3.42Å; M161-K165 PolarHBondContact O-N 3.34Å
162	L	76.9	Confident	71.4	Confident	101 Å²	101	115.1 Å²	115.1	53%	0.529	56%	0.558	S	S	.	*	H	α-helix	trans	-67.8	-41.7	174.6	-72.5	172.8	0	0	0	111.7	I158 Y160 K165 K166	I158-L162 HydrophobicContact CG2-CD1 3.74Å; I158-L162 HydrophobicContact CG2-CG 4.24Å; I158-L162 WeakPolarHBondContact O-CB 3.39Å; I158-L162 VanDerWaalsContact O-CG 3.27Å; I158-L162 WeakPolarHBondContact O-CG 3.46Å; I158-L162 PolarHBondContact O-N 2.85Å; Y160-L162 PolarHBondContact O-N 2.88Å; L162-K165 PolarHBondContact O-N 3.02Å; L162-K166 WeakPolarHBondContact O-CB 3.46Å; L162-K166 PolarHBondContact O-N 2.84Å
163	R	75.4	Confident	68.8	Low	188 Å²	188	118.2 Å²	118.2	71%	0.709	57%	0.57	S	S	*	*	H	α-helix	trans	-63.1	-42.7	174.9	-165.4	-178.3	-166.9	-163	5.4	111.1	L159 Y160 K166 Y167	L159-R163 VanDerWaalsContact O-CB 3.26Å; L159-R163 WeakPolarHBondContact O-CB 3.41Å; L159-R163 PolarHBondContact O-N 3.43Å; Y160-R163 PolarHBondContact O-N 2.76Å; R163-K166 PolarHBondContact O-N 3.48Å; R163-Y167 WeakPolarHBondContact O-CB 3.48Å; R163-Y167 PolarHBondContact O-N 2.92Å
164	F	68.1	Low	66.3	Low	125 Å²	125	119 Å²	119	55%	0.548	58%	0.583	S	S	.	*	H	α-helix	trans	-64.4	-43.8	175.9	-169.2	-101.2	0	0	0	111.9	Y160 K166 Y167 K168	Y160-F164 VanDerWaalsContact O-CB 3.31Å; Y160-F164 WeakPolarHBondContact O-CB 3.26Å; Y160-F164 PolarHBondContact O-N 2.92Å; F164-K166 PolarHBondContact O-N 2.94Å; F164-Y167 WeakPolarHBondContact O-CB 3.44Å; F164-Y167 PolarHBondContact O-N 3.45Å; F164-K168 PolarHBondContact O-N 2.98Å
165	K	66.9	Low	63.5	Low	139 Å²	139	120 Å²	120	60%	0.604	59%	0.594	S	S	*	*	H	α-helix	trans	-62.2	-40.2	174.5	-168.1	172.7	-177.3	177.8	0	111.9	M161 L162 K168 Q169	M161-K165 VanDerWaalsContact O-CB 3.27Å; M161-K165 WeakPolarHBondContact O-CB 3.42Å; M161-K165 PolarHBondContact O-N 3.34Å; L162-K165 PolarHBondContact O-N 3.02Å; K165-K168 PolarHBondContact O-N 2.9Å; K165-Q169 PolarHBondContact O-N 3Å
166	K	62.6	Low	60.9	Low	157 Å²	157	119.7 Å²	119.7	68%	0.683	60%	0.604	S	S	*	*	H	α-helix	trans	-67.8	-36.8	175	-156.6	172.1	-171.8	178.1	0	112.2	L162 R163 F164 Q169 A170	L162-K166 WeakPolarHBondContact O-CB 3.46Å; L162-K166 PolarHBondContact O-N 2.84Å; R163-K166 PolarHBondContact O-N 3.48Å; F164-K166 PolarHBondContact O-N 2.94Å; K166-Q169 PolarHBondContact O-N 2.81Å; K166-A170 PolarHBondContact O-N 3.33Å
167	Y	53.8	Low	57.9	Low	175 Å²	175	123.1 Å²	123.1	69%	0.686	62%	0.616	S	S	*	*	H	α-helix	trans	-60.8	-45.2	170.3	-127	-91.6	0	0	0	111.6	R163 F164 Q169 A170 A171	R163-Y167 WeakPolarHBondContact O-CB 3.48Å; R163-Y167 PolarHBondContact O-N 2.92Å; F164-Y167 WeakPolarHBondContact O-CB 3.44Å; F164-Y167 PolarHBondContact O-N 3.45Å; Y167-Q169 PolarHBondContact O-N 3.14Å; Y167-A170 PolarHBondContact O-N 2.65Å; Y167-A171 PolarHBondContact O-N 3.01Å
168	K	50.3	Low	55.1	Low	155 Å²	155	128.2 Å²	128.2	67%	0.674	63%	0.629	S	S	*	*	H	α-helix	trans	-66.5	-35.1	178.6	-156.1	173.7	-174	179.8	0	112.4	F164 K165 S172	F164-K168 PolarHBondContact O-N 2.98Å; K165-K168 PolarHBondContact O-N 2.9Å; K168-S172 WeakPolarHBondContact O-CB 3.41Å; K168-S172 PolarHBondContact O-N 3.4Å; K168-S172 VanDerWaalsContact O-N 3.08Å
169	Q	46.3	Very low	52.4	Low	117 Å²	117	132.8 Å²	132.8	55%	0.547	65%	0.653	S	S	.	*	H	α-helix	trans	-69.8	-38.9	172.1	-75	-179.2	-59.1	0	0	112.9	K165 K166 Y167 S172 H173	K165-Q169 PolarHBondContact O-N 3Å; K166-Q169 PolarHBondContact O-N 2.81Å; Y167-Q169 PolarHBondContact O-N 3.14Å; Q169-S172 PolarHBondContact O-N 2.86Å; Q169-H173 PolarHBondContact O-N 3.34Å; Q169-H173 VanDerWaalsContact O-N 3.15Å
170	A	45	Very low	49.5	Very low	67 Å²	67	133.9 Å²	133.9	55%	0.554	66%	0.664	S	S	*	*	H	α-helix	trans	-61.4	-45	174.8	0	0	0	0	0	111.7	K166 Y167 S172 H173	K166-A170 PolarHBondContact O-N 3.33Å; Y167-A170 PolarHBondContact O-N 2.65Å; A170-S172 VanDerWaalsContact C-N 3.3Å; A170-S172 PolarHBondContact O-N 3Å; A170-H173 PolarHBondContact O-N 3.09Å
171	A	43.1	Very low	46.8	Very low	66 Å²	66	134.3 Å²	134.3	55%	0.545	68%	0.677	S	S	.	*	H	α-helix	trans	-64.4	-31.5	174.2	0	0	0	0	0	113.3	Y167	Y167-A171 PolarHBondContact O-N 3.01Å
172	S	35.6	Very low	44.4	Very low	87 Å²	87	132.4 Å²	132.4	61%	0.608	69%	0.688	S	S	*	*	H	α-helix	trans	-75.9	-22.5	179.3	-167.3	0	0	0	0	113.9	K168 Q169 A170	K168-S172 WeakPolarHBondContact O-CB 3.41Å; K168-S172 PolarHBondContact O-N 3.4Å; K168-S172 VanDerWaalsContact O-N 3.08Å; Q169-S172 PolarHBondContact O-N 2.86Å; A170-S172 VanDerWaalsContact C-N 3.3Å; A170-S172 PolarHBondContact O-N 3Å
173	H	34.6	Very low	42	Very low	158 Å²	158	138.8 Å²	138.8	73%	0.731	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-10.1	-177.4	-102.4	-78.5	0	0	0	114.5	Q169 A170 N175	Q169-H173 PolarHBondContact O-N 3.34Å; Q169-H173 VanDerWaalsContact O-N 3.15Å; A170-H173 PolarHBondContact O-N 3.09Å; H173-N175 VanDerWaalsContact C-N 3.33Å
174	S	36.4	Very low	39.8	Very low	96 Å²	96	134 Å²	134	67%	0.671	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-21.1	176.8	-55.7	0	0	0	0	113.9	A176	S174-A176 PolarHBondContact O-N 3.39Å
175	N	33.9	Very low	37.8	Very low	151 Å²	151	135.8 Å²	135.8	81%	0.807	72%	0.716	S	S	*	*	S	Bend	trans	-103.9	46.2	-169.5	-68.7	-5.6	0	0	0	113	H173	H173-N175 VanDerWaalsContact C-N 3.33Å
176	A	35.2	Very low	36.1	Very low	79 Å²	79	136.3 Å²	136.3	65%	0.653	73%	0.725	S	S	*	*			trans	-140.8	66.6	-174.2	0	0	0	0	0	114	S174	S174-A176 PolarHBondContact O-N 3.39Å
177	F	27.1	Very low	34.4	Very low	174 Å²	174	135.1 Å²	135.1	76%	0.763	73%	0.732	S	S	*	*			trans	-140.9	106.8	163.3	-159.2	-101.8	0	0	0	114.2
178	R	29.7	Very low	33.2	Very low	202 Å²	202	135 Å²	135	76%	0.762	74%	0.737	S	S	*	*			trans	48.8	105.8	158.4	-64	-170.2	174.4	169	-2.3	119.6
179	L	28.6	Very low	32.1	Very low	170 Å²	170	134.2 Å²	134.2	89%	0.89	74%	0.74	S	S	*	*			trans	-67.1	143.4	141.9	-74.1	155.1	0	0	0	110.5
180	T	25.5	Very low	31.6	Very low	127 Å²	127	137.9 Å²	137.9	78%	0.779	76%	0.757	S	S	*	*			trans	-142	128.3	160	48.7	0	0	0	0	108.9
181	N	30.5	Very low	30.8	Very low	167 Å²	167	139.8 Å²	139.8	89%	0.893	77%	0.766	S	S	*	*			trans	-72.5	138.7	-175.8	-69.1	-11.2	0	0	0	112.6
182	G	27.5	Very low	30.3	Very low	79 Å²	79	142.6 Å²	142.6	81%	0.814	78%	0.776	S	S	*	*			trans	-136.8	149	160.2	0	0	0	0	0	108.2
183	R	25.3	Very low	30.1	Very low	235 Å²	235	144 Å²	144	89%	0.887	78%	0.783	S	S	*	*			trans	-132.9	132.2	-162.9	-177.5	-174.6	165.1	141.1	-1.4	111.8
184	S	30.5	Very low	29.9	Very low	87 Å²	87	143.6 Å²	143.6	61%	0.608	79%	0.786	S	S	*	*			trans	45.2	124.1	161.9	61.1	0	0	0	0	119.8
185	D	26.5	Very low	29.8	Very low	163 Å²	163	146.7 Å²	146.7	87%	0.872	79%	0.794	S	S	*	*				-155.9	155.5	104.5	-103.8	-17.2	0	0	0	111
186	D	30.1	Very low	29.8	Very low	150 Å²	150	143.1 Å²	143.1	80%	0.802	79%	0.785	S	S	*	*			trans	-105.6	130.2	-175.4	-69.9	-62.9	0	0	0	112
187	T	27.8	Very low	30.1	Very low	133 Å²	133	149.7 Å²	149.7	82%	0.816	79%	0.793	S	S	*	*			trans	-167.7	119.4	140.8	2.4	0	0	0	0	114.8
188	E	28.1	Very low	30.5	Very low	173 Å²	173	145.9 Å²	145.9	81%	0.808	79%	0.788	S	S	*	*			trans	62.9	160.9	136.3	-89.8	-170.3	-178.4	0	0	125.7
189	L	27.5	Very low	31	Very low	138 Å²	138	141.8 Å²	141.8	72%	0.723	79%	0.788	S	S	*	*			trans	69.9	70.9	159.9	-70.3	163.6	0	0	0	120.2	S191	L189-S191 PolarHBondContact O-N 2.94Å
190	Q	35.8	Very low	31.8	Very low	193 Å²	193	137.6 Å²	137.6	90%	0.902	77%	0.772	S	S	*	*				28.6	92.2	116.9	-169.3	177.7	8	0	0	117.3
191	S	27.5	Very low	33	Very low	107 Å²	107	134.8 Å²	134.8	75%	0.748	76%	0.755	S	S	*	*			trans	-139.4	134.3	156.2	57.8	0	0	0	0	110.9	L189 P193	L189-S191 PolarHBondContact O-N 2.94Å; S191-P193 WeakPolarHBondContact O-CD 3.41Å
192	V	32.4	Very low	34.6	Very low	125 Å²	125	129.8 Å²	129.8	76%	0.758	73%	0.729	S	S	*	*			trans	-76.7	127.1	178.3	178.6	0	0	0	0	108.6	L194	V192-L194 VanDerWaalsContact C-N 3.27Å; V192-L194 PolarHBondContact O-N 3.37Å
193	P	31.9	Very low	36.9	Very low	117 Å²	117	137.9 Å²	137.9	76%	0.76	73%	0.734	S	S	*	*			trans	-68.5	84.5	173.2	-20.4	34.3	0	0	0	111.3	S191 L195	S191-P193 WeakPolarHBondContact O-CD 3.41Å; P193-L195 PolarHBondContact O-N 2.88Å; P193-L195 VanDerWaalsContact O-N 3.13Å
194	L	29.5	Very low	39.9	Very low	149 Å²	149	132.7 Å²	132.7	78%	0.78	72%	0.718	S	S	*	*			trans	-52.7	119.6	156.2	-73.3	172.3	0	0	0	107.1	V192 A196	V192-L194 VanDerWaalsContact C-N 3.27Å; V192-L194 PolarHBondContact O-N 3.37Å; L194-A196 PolarHBondContact O-N 3.38Å
195	L	35.7	Very low	42.9	Very low	161 Å²	161	129.3 Å²	129.3	84%	0.843	69%	0.692	S	S	*	*			trans	-63.3	89.9	172.6	-77.1	173.4	0	0	0	109.1	P193	P193-L195 PolarHBondContact O-N 2.88Å; P193-L195 VanDerWaalsContact O-N 3.13Å
196	A	32.8	Very low	46.2	Very low	76 Å²	76	125 Å²	125	63%	0.628	67%	0.674	S	S	*	*			trans	-63.1	160.8	175.5	0	0	0	0	0	110.5	L194 S198	L194-A196 PolarHBondContact O-N 3.38Å; A196-S198 PolarHBondContact O-N 3.01Å
197	R	42.9	Very low	49.3	Very low	218 Å²	218	119.9 Å²	119.9	82%	0.823	65%	0.648	S	S	*	*			trans	-73.4	62.2	-177.3	-167.4	179.2	-177.4	175.6	0.5	111.3	P199 E452	R197-P199 VanDerWaalsContact O-CD 3.32Å; R197-P199 WeakPolarHBondContact O-CD 3.48Å; R197-E452 IonicContact NH2-OE1 3.78Å
198	S	35.2	Very low	52.6	Low	94 Å²	94	114.2 Å²	114.2	66%	0.657	61%	0.613	S	S	*	*			trans	-59.7	117.1	179.8	-67.8	0	0	0	0	110.7	A196 S200	A196-S198 PolarHBondContact O-N 3.01Å; S198-S200 PolarHBondContact O-N 3.31Å
199	P	40.2	Very low	56	Low	116 Å²	116	108.1 Å²	108.1	75%	0.753	59%	0.589	S	S	*	*			trans	-79.9	65.9	179.3	33.9	-35.1	0	0	0	110.3	R197 T201	R197-P199 VanDerWaalsContact O-CD 3.32Å; R197-P199 WeakPolarHBondContact O-CD 3.48Å; P199-T201 PolarHBondContact O-N 3.49Å
200	S	43.8	Very low	59.2	Low	81 Å²	81	101.8 Å²	101.8	57%	0.566	56%	0.555	S	S	*	*			trans	-76.8	44	173.5	70.8	0	0	0	0	111.8	S198 N202	S198-S200 PolarHBondContact O-N 3.31Å; S200-N202 PolarHBondContact O-N 3.15Å; S200-N202 VanDerWaalsContact O-N 3.13Å
201	T	51.3	Low	62.1	Low	68 Å²	68	97.5 Å²	97.5	42%	0.417	54%	0.539	S	S	.	.			trans	-65.3	110	168.6	51.4	0	0	0	0	107.7	P199 R203 P207	P199-T201 PolarHBondContact O-N 3.49Å; T201-R203 PolarHBondContact O-N 3.29Å; T201-R203 VanDerWaalsContact O-N 3.15Å; T201-P207 HydrophobicContact CG2-CG 4.18Å
202	N	64.1	Low	65.3	Low	63 Å²	63	97.2 Å²	97.2	34%	0.337	52%	0.524	S	S	.	.			trans	-57	121.4	172.5	-179.5	-18.6	0	0	0	108.1	S200 K204 Y205 F458	S200-N202 PolarHBondContact O-N 3.15Å; S200-N202 VanDerWaalsContact O-N 3.13Å; N202-K204 PolarHBondContact O-N 2.94Å; N202-K204 WeakPolarHBondContact OD1-CB 3.19Å; N202-K204 PolarHBondContact OD1-N 3.47Å; N202-Y205 CarbonylContact O-C 3.23Å; N202-Y205 VanDerWaalsContact O-C 3.23Å; N202-Y205 PolarHBondContact O-N 2.97Å; N202-F458 HydrophobicContact CB-CD1 4.09Å; N202-F458 HydrophobicContact CB-CE1 3.61Å; N202-F458 HydrophobicContact CB-CZ 4.41Å
203	R	76.1	Confident	68.4	Low	248 Å²	248	91.3 Å²	91.3	94%	0.936	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.7	-176	-69.1	-174.8	178.7	-178.9	-0.3	113.5	T201	T201-R203 PolarHBondContact O-N 3.29Å; T201-R203 VanDerWaalsContact O-N 3.15Å
204	K	88.9	Confident	71.4	Confident	126 Å²	126	90.1 Å²	90.1	55%	0.548	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-25.1	173.2	-167.7	-179.4	176.6	-159.2	0	113.2	N202 E230	N202-K204 PolarHBondContact O-N 2.94Å; N202-K204 WeakPolarHBondContact OD1-CB 3.19Å; N202-K204 PolarHBondContact OD1-N 3.47Å; K204-E230 IonicContact NZ-OE2 2.68Å
205	Y	93.4	Very high	74.5	Confident	16 Å²	16	88.9 Å²	88.9	6%	0.063	46%	0.462	C	S	.	.	S	Bend	trans	-134.8	72.4	-173.6	-54.2	-68	0	0	0	111	N202 E230 E231 A234 F458	N202-Y205 CarbonylContact O-C 3.23Å; N202-Y205 VanDerWaalsContact O-C 3.23Å; N202-Y205 PolarHBondContact O-N 2.97Å; Y205-E230 PolarHBondContact OH-O 3.47Å; Y205-E231 HydrophobicContact CD1-CB 4.21Å; Y205-E231 HydrophobicContact CD1-CG 3.71Å; Y205-E231 HydrophobicContact CE1-CB 3.59Å; Y205-E231 HydrophobicContact CE1-CG 3.62Å; Y205-E231 HydrophobicContact CG-CG 4.2Å; Y205-E231 WeakPolarHBondContact OH-CA 3.46Å; Y205-A234 HydrophobicContact CE2-CB 3.77Å; Y205-F458 HydrophobicContact CD2-CD1 4.33Å; Y205-F458 AromaticContact CD2-CD2 3.78Å; Y205-F458 HydrophobicContact CD2-CD2 3.78Å; Y205-F458 HydrophobicContact CD2-CE1 4.2Å; Y205-F458 AromaticContact CD2-CE2 3.6Å; Y205-F458 HydrophobicContact CD2-CE2 3.6Å; Y205-F458 HydrophobicContact CD2-CG 4.16Å; Y205-F458 AromaticContact CD2-CZ 3.84Å; Y205-F458 HydrophobicContact CD2-CZ 3.84Å; Y205-F458 HydrophobicContact CE2-CD2 4.43Å; Y205-F458 AromaticContact CE2-CE2 3.99Å; Y205-F458 HydrophobicContact CE2-CE2 3.99Å; Y205-F458 HydrophobicContact CE2-CZ 4.38Å; Y205-F458 AromaticContact CG-CD2 3.96Å; Y205-F458 HydrophobicContact CG-CD2 3.96Å; Y205-F458 HydrophobicContact CG-CE2 4.26Å; Y205-F458 HydrophobicContact CG-CG 4.1Å
206	P	94.6	Very high	77.3	Confident	74 Å²	74	82.9 Å²	82.9	48%	0.481	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-74.4	163.3	176.6	32.7	-36.4	0	0	0	112.3
207	P	96.6	Very high	80.2	Confident	41 Å²	41	79.5 Å²	79.5	27%	0.266	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-57.4	137.6	171	-23.9	34.4	0	0	0	112.4	T201 M448 V455 D456	T201-P207 HydrophobicContact CG2-CG 4.18Å; P207-M448 HydrophobicContact CB-CE 4.48Å; P207-V455 CarbonylContact C-O 3.58Å; P207-V455 WeakPolarHBondContact CA-O 3.2Å; P207-D456 HydrophobicContact CB-CB 4.12Å; P207-D456 HydrophobicContact CG-CB 4.07Å
208	I	97.5	Very high	82.6	Confident	14 Å²	14	73.8 Å²	73.8	7%	0.072	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	122.2	-172.5	-54.7	164.9	0	0	0	109.1	E216 K454 V455 F482	I208-E216 HydrophobicContact CD1-CG 4.08Å; I208-E216 HydrophobicContact CG2-CB 4.4Å; I208-E216 HydrophobicContact CG2-CG 4.5Å; I208-K454 CarbonylContact O-C 3.56Å; I208-K454 WeakPolarHBondContact O-CA 3.47Å; I208-V455 HydrophobicContact CB-CG2 4.13Å; I208-V455 PolarHBondContact N-O 3.21Å; I208-V455 PolarHBondContact O-N 3.05Å; I208-F482 HydrophobicContact CD1-CE1 3.65Å
209	P	97.5	Very high	85.5	Confident	46 Å²	46	75.2 Å²	75.2	30%	0.299	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	137.8	167.7	-21.7	34.8	0	0	0	111.3	D211 K212 L213	P209-D211 WeakPolarHBondContact CB-OD1 3.31Å; P209-D211 PolarHBondContact O-N 3.1Å; P209-K212 PolarHBondContact O-N 2.93Å; P209-L213 PolarHBondContact O-N 3.35Å
210	V	95.7	Very high	88.1	Confident	4 Å²	4	70.1 Å²	70.1	2%	0.024	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-63.8	-29.7	-172	-65.1	0	0	0	0	113.4	K212 L213 M449 R453 Y489	V210-K212 PolarHBondContact O-N 2.9Å; V210-L213 VanDerWaalsContact O-CB 3.29Å; V210-L213 WeakPolarHBondContact O-CB 3.39Å; V210-L213 PolarHBondContact O-N 3.4Å; V210-L213 VanDerWaalsContact O-N 3.1Å; V210-M449 HydrophobicContact CG1-CE 4.26Å; V210-M449 HydrophobicContact CG1-CG 3.8Å; V210-M449 HydrophobicContact CG1-SD 4.46Å; V210-R453 VanDerWaalsContact CG1-C 3.46Å; V210-R453 WeakPolarHBondContact CG1-O 3.42Å; V210-R453 HydrophobicContact CG2-CB 4.17Å; V210-R453 WeakPolarHBondContact CG2-O 3.46Å; V210-R453 PolarHBondContact N-O 3.32Å; V210-R453 VanDerWaalsContact N-O 3.12Å; V210-Y489 HydrophobicContact CB-CD2 3.75Å; V210-Y489 HydrophobicContact CB-CE2 3.67Å; V210-Y489 HydrophobicContact CG2-CD2 4.15Å; V210-Y489 HydrophobicContact CG2-CE2 3.68Å; V210-Y489 WeakPolarHBondContact O-CE1 3.28Å; V210-Y489 VanDerWaalsContact O-CZ 3.25Å
211	D	95.7	Very high	90.4	Very high	103 Å²	103	69.9 Å²	69.9	55%	0.551	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-58.5	-24.6	171.5	53.4	-69.1	0	0	0	113.4	P209	P209-D211 WeakPolarHBondContact CB-OD1 3.31Å; P209-D211 PolarHBondContact O-N 3.1Å
212	K	96.4	Very high	92.3	Very high	102 Å²	102	68.9 Å²	68.9	44%	0.443	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-103.1	1.8	178.2	-53.8	-155.4	170.7	-136.5	0	114	P209 V210 E214 E215 E216	P209-K212 PolarHBondContact O-N 2.93Å; V210-K212 PolarHBondContact O-N 2.9Å; K212-E214 VanDerWaalsContact C-N 3.3Å; K212-E214 PolarHBondContact O-N 3.41Å; K212-E215 PolarHBondContact O-N 3.36Å; K212-E216 VanDerWaalsContact O-CB 3.26Å; K212-E216 WeakPolarHBondContact O-CB 3.31Å; K212-E216 PolarHBondContact O-N 3.02Å
213	L	95.9	Very high	93.6	Very high	1 Å²	1	71.6 Å²	71.6	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-63.3	-37	-174.4	-174.8	58.1	0	0	0	112	P209 V210 M217 M449 V455 F482 L485 L486	P209-L213 PolarHBondContact O-N 3.35Å; V210-L213 VanDerWaalsContact O-CB 3.29Å; V210-L213 WeakPolarHBondContact O-CB 3.39Å; V210-L213 PolarHBondContact O-N 3.4Å; V210-L213 VanDerWaalsContact O-N 3.1Å; L213-M217 WeakPolarHBondContact O-CB 3.18Å; L213-M217 PolarHBondContact O-N 3.24Å; L213-M449 HydrophobicContact CD2-CE 3.85Å; L213-V455 HydrophobicContact CD1-CG2 4.03Å; L213-F482 HydrophobicContact CD1-CD1 4.3Å; L213-L485 HydrophobicContact CD2-CB 4.11Å; L213-L486 HydrophobicContact CD2-CB 4.39Å; L213-L486 HydrophobicContact CG-CB 4.39Å; L213-L486 HydrophobicContact CG-CD1 4.24Å
214	E	94.9	Very high	94.3	Very high	92 Å²	92	65 Å²	65	43%	0.43	33%	0.331	S	S	.	.	H	α-helix	trans	-72.3	-44.2	176.5	-170.5	172.2	-167.4	0	0	112.7	K212 M217 N218 L486	K212-E214 VanDerWaalsContact C-N 3.3Å; K212-E214 PolarHBondContact O-N 3.41Å; E214-M217 PolarHBondContact O-N 2.82Å; E214-N218 WeakPolarHBondContact O-CB 3.49Å; E214-N218 PolarHBondContact O-N 3.12Å; E214-N218 PolarHBondContact O-ND2 3.17Å; E214-L486 HydrophobicContact CB-CD1 3.77Å; E214-L486 HydrophobicContact CG-CD1 4.28Å; E214-L486 HydrophobicContact CG-CD2 4.5Å
215	E	95.2	Very high	94.4	Very high	122 Å²	122	60.4 Å²	60.4	57%	0.57	31%	0.313	S	S	*	.	H	α-helix	trans	-56.9	-51.2	175.2	-175.3	-168.3	173.6	0	0	110.4	K212 N218 R219	K212-E215 PolarHBondContact O-N 3.36Å; E215-N218 PolarHBondContact O-N 3.07Å; E215-R219 WeakPolarHBondContact O-CB 3.42Å; E215-R219 PolarHBondContact O-N 2.69Å
216	E	95.4	Very high	94.5	Very high	35 Å²	35	64.1 Å²	64.1	16%	0.164	33%	0.329	C	S	.	.	H	α-helix	trans	-71.6	-32.5	-177	-174.5	65.3	173.6	0	0	112.3	I208 K212 R219 R220	I208-E216 HydrophobicContact CD1-CG 4.08Å; I208-E216 HydrophobicContact CG2-CB 4.4Å; I208-E216 HydrophobicContact CG2-CG 4.5Å; K212-E216 VanDerWaalsContact O-CB 3.26Å; K212-E216 WeakPolarHBondContact O-CB 3.31Å; K212-E216 PolarHBondContact O-N 3.02Å; E216-R219 IonicContact OE1-CZ 2.64Å; E216-R219 IonicContact OE1-NE 3.7Å; E216-R219 IonicContact OE1-NH2 3.63Å; E216-R219 PolarHBondContact OE1-NH2 2.89Å; E216-R219 IonicContact OE2-CZ 2.65Å; E216-R219 VanDerWaalsContact OE2-CZ 3.24Å; E216-R219 IonicContact OE2-NE 3.99Å; E216-R219 PolarHBondContact OE2-NE 2.85Å; E216-R219 IonicContact OE2-NH2 2.8Å; E216-R219 PolarHBondContact OE2-NH2 3.27Å; E216-R220 VanDerWaalsContact CD-NE 3.35Å; E216-R220 HydrophobicContact CG-CG 4.48Å; E216-R220 WeakPolarHBondContact O-CB 3.41Å; E216-R220 VanDerWaalsContact O-CG 3.25Å; E216-R220 WeakPolarHBondContact O-CG 3.38Å; E216-R220 PolarHBondContact O-N 2.96Å; E216-R220 IonicContact OE1-CZ 3.5Å; E216-R220 IonicContact OE1-NE 2.76Å; E216-R220 PolarHBondContact OE1-NE 2.92Å; E216-R220 IonicContact OE1-NH2 2.73Å; E216-R220 PolarHBondContact OE1-NH2 3.18Å
217	M	93.7	Very high	94.6	Very high	6 Å²	6	63.1 Å²	63.1	3%	0.03	32%	0.32	C	S	.	.	H	α-helix	trans	-61.8	-53.4	170.7	-173.9	67.9	178.5	0	0	111	L213 E214 R219 R220 M221 F228 V479 F482 Q483 L486	L213-M217 WeakPolarHBondContact O-CB 3.18Å; L213-M217 PolarHBondContact O-N 3.24Å; E214-M217 PolarHBondContact O-N 2.82Å; M217-R219 VanDerWaalsContact C-N 3.29Å; M217-R219 PolarHBondContact O-N 3.36Å; M217-R220 PolarHBondContact O-N 3.16Å; M217-R220 VanDerWaalsContact O-N 3.14Å; M217-M221 HydrophobicContact CE-CG 3.95Å; M217-M221 HydrophobicContact CE-SD 3.7Å; M217-M221 HydrophobicContact CG-CG 4.34Å; M217-M221 HydrophobicContact CG-SD 4.21Å; M217-M221 WeakPolarHBondContact O-CB 3.41Å; M217-M221 WeakPolarHBondContact O-CG 3.46Å; M217-M221 PolarHBondContact O-N 3.02Å; M217-M221 HydrophobicContact SD-CG 4.39Å; M217-F228 HydrophobicContact CE-CE2 4.07Å; M217-F228 HydrophobicContact CE-CZ 4.27Å; M217-F228 HydrophobicContact SD-CE2 3.66Å; M217-F228 HydrophobicContact SD-CZ 3.46Å; M217-F228 WeakPolarHBondContact SD-CZ 3.45Å; M217-V479 HydrophobicContact CE-CG1 3.99Å; M217-F482 HydrophobicContact CE-CB 4.02Å; M217-F482 HydrophobicContact SD-CB 3.45Å; M217-F482 WeakPolarHBondContact SD-CB 3.3Å; M217-F482 HydrophobicContact SD-CG 4.37Å; M217-Q483 HydrophobicContact CE-CB 4.44Å; M217-Q483 HydrophobicContact CE-CG 3.42Å; M217-Q483 VanDerWaalsContact CE-CG 3.42Å; M217-L486 HydrophobicContact CB-CD2 3.91Å; M217-L486 HydrophobicContact CG-CD2 3.78Å
218	N	93.3	Very high	94.6	Very high	98 Å²	98	61.2 Å²	61.2	52%	0.524	31%	0.307	S	S	.	.	H	α-helix	trans	-59.1	-42.4	179.2	-76.9	-58.5	0	0	0	111.4	E214 E215 R220 A222	E214-N218 WeakPolarHBondContact O-CB 3.49Å; E214-N218 PolarHBondContact O-N 3.12Å; E214-N218 PolarHBondContact O-ND2 3.17Å; E215-N218 PolarHBondContact O-N 3.07Å; N218-R220 PolarHBondContact O-N 2.77Å; N218-A222 PolarHBondContact O-N 3.4Å
219	R	95.3	Very high	94.6	Very high	123 Å²	123	64.7 Å²	64.7	46%	0.464	32%	0.319	S	S	.	.	H	α-helix	trans	-62.9	-40.1	175.7	-164.3	-175.9	70.9	83.5	2.4	112.5	E215 E216 M217 A222	E215-R219 WeakPolarHBondContact O-CB 3.42Å; E215-R219 PolarHBondContact O-N 2.69Å; E216-R219 IonicContact OE1-CZ 2.64Å; E216-R219 IonicContact OE1-NE 3.7Å; E216-R219 IonicContact OE1-NH2 3.63Å; E216-R219 PolarHBondContact OE1-NH2 2.89Å; E216-R219 IonicContact OE2-CZ 2.65Å; E216-R219 VanDerWaalsContact OE2-CZ 3.24Å; E216-R219 IonicContact OE2-NE 3.99Å; E216-R219 PolarHBondContact OE2-NE 2.85Å; E216-R219 IonicContact OE2-NH2 2.8Å; E216-R219 PolarHBondContact OE2-NH2 3.27Å; M217-R219 VanDerWaalsContact C-N 3.29Å; M217-R219 PolarHBondContact O-N 3.36Å; R219-A222 WeakPolarHBondContact O-CB 3.31Å
220	R	95.2	Very high	94.6	Very high	10 Å²	10	66.3 Å²	66.3	4%	0.038	32%	0.323	C	S	.	.	H	α-helix	trans	-79.7	-27.1	-179	-70.5	-179.9	-168.9	-174.1	9.8	114.2	E216 M217 N218 A222 N225 L227 F228 E231	E216-R220 VanDerWaalsContact CD-NE 3.35Å; E216-R220 HydrophobicContact CG-CG 4.48Å; E216-R220 WeakPolarHBondContact O-CB 3.41Å; E216-R220 VanDerWaalsContact O-CG 3.25Å; E216-R220 WeakPolarHBondContact O-CG 3.38Å; E216-R220 PolarHBondContact O-N 2.96Å; E216-R220 IonicContact OE1-CZ 3.5Å; E216-R220 IonicContact OE1-NE 2.76Å; E216-R220 PolarHBondContact OE1-NE 2.92Å; E216-R220 IonicContact OE1-NH2 2.73Å; E216-R220 PolarHBondContact OE1-NH2 3.18Å; M217-R220 PolarHBondContact O-N 3.16Å; M217-R220 VanDerWaalsContact O-N 3.14Å; N218-R220 PolarHBondContact O-N 2.77Å; R220-A222 VanDerWaalsContact C-N 3.31Å; R220-N225 CarbonylContact O-C 3.6Å; R220-N225 WeakPolarHBondContact O-CA 3.47Å; R220-L227 HydrophobicContact CB-CB 4.4Å; R220-L227 HydrophobicContact CG-CB 4.28Å; R220-F228 VanDerWaalsContact C-CD2 3.5Å; R220-F228 HydrophobicContact CB-CD1 4Å; R220-F228 HydrophobicContact CB-CD2 3.49Å; R220-F228 VanDerWaalsContact CB-CD2 3.49Å; R220-F228 HydrophobicContact CB-CE1 3.85Å; R220-F228 HydrophobicContact CB-CE2 3.33Å; R220-F228 HydrophobicContact CB-CG 3.81Å; R220-F228 HydrophobicContact CB-CZ 3.52Å; R220-F228 VanDerWaalsContact CD-CE1 3.47Å; R220-F228 HydrophobicContact CG-CE1 4.31Å; R220-F228 HydrophobicContact CG-CZ 4.32Å; R220-F228 WeakPolarHBondContact O-CD2 3.22Å; R220-E231 IonicContact CZ-OE1 2.76Å; R220-E231 IonicContact CZ-OE2 3.54Å; R220-E231 IonicContact NE-OE2 2.85Å; R220-E231 IonicContact NH1-OE1 2.71Å; R220-E231 PolarHBondContact NH1-OE1 2.72Å; R220-E231 IonicContact NH1-OE2 2.75Å; R220-E231 PolarHBondContact NH1-OE2 2.81Å
221	M	91.4	Very high	94.6	Very high	76 Å²	76	66.2 Å²	66.2	37%	0.374	32%	0.322	S	S	.	.	H	α-helix	trans	-73	-19.4	172.7	-73.3	-166.1	75.1	0	0	113.7	M217 N225 F228	M217-M221 HydrophobicContact CE-CG 3.95Å; M217-M221 HydrophobicContact CE-SD 3.7Å; M217-M221 HydrophobicContact CG-CG 4.34Å; M217-M221 HydrophobicContact CG-SD 4.21Å; M217-M221 WeakPolarHBondContact O-CB 3.41Å; M217-M221 WeakPolarHBondContact O-CG 3.46Å; M217-M221 PolarHBondContact O-N 3.02Å; M217-M221 HydrophobicContact SD-CG 4.39Å; M221-N225 PolarHBondContact O-N 2.93Å; M221-F228 HydrophobicContact CG-CD2 4.36Å; M221-F228 HydrophobicContact CG-CE2 3.9Å
222	A	90.8	Very high	94.7	Very high	47 Å²	47	62.5 Å²	62.5	39%	0.388	30%	0.301	S	S	.	.	H	α-helix	trans	-58	159.4	177.2	0	0	0	0	0	113	N218 R219 R220 D224 N225 K226	N218-A222 PolarHBondContact O-N 3.4Å; R219-A222 WeakPolarHBondContact O-CB 3.31Å; R220-A222 VanDerWaalsContact C-N 3.31Å; A222-D224 VanDerWaalsContact C-N 3.33Å; A222-D224 PolarHBondContact O-N 3.47Å; A222-N225 PolarHBondContact O-N 3.41Å; A222-K226 PolarHBondContact O-N 3.07Å; A222-K226 VanDerWaalsContact O-N 3.13Å
223	D	92.5	Very high	94.7	Very high	119 Å²	119	63.8 Å²	63.8	64%	0.636	31%	0.313	S	S	*	.	H	α-helix	trans	49.8	47.3	-177.6	-58.3	-15.5	0	0	0	113.2	K226 R229	D223-K226 HydrophobicContact CB-CB 3.76Å; D223-K226 HydrophobicContact CB-CD 3.98Å; D223-K226 VanDerWaalsContact O-CB 3.3Å; D223-K226 WeakPolarHBondContact O-CB 3.44Å; D223-K226 PolarHBondContact O-N 3.31Å; D223-R229 PolarHBondContact O-NH2 3.17Å
224	D	90.2	Very high	94.7	Very high	109 Å²	109	65.8 Å²	65.8	58%	0.583	33%	0.33	S	S	*	.	H	α-helix	trans	57.2	55.8	-174.9	171.9	49	0	0	0	111.6	A222 K226 R229	A222-D224 VanDerWaalsContact C-N 3.33Å; A222-D224 PolarHBondContact O-N 3.47Å; D224-K226 PolarHBondContact O-N 3.2Å; D224-R229 PolarHBondContact O-NE 3.28Å; D224-R229 PolarHBondContact O-NH2 2.71Å; D224-R229 IonicContact OD2-CZ 2.72Å; D224-R229 IonicContact OD2-NH1 2.75Å; D224-R229 PolarHBondContact OD2-NH1 3.39Å; D224-R229 IonicContact OD2-NH2 2.66Å; D224-R229 PolarHBondContact OD2-NH2 3.47Å
225	N	92.2	Very high	94.7	Very high	31 Å²	31	62 Å²	62	17%	0.166	31%	0.312	C	S	.	.	H	α-helix	trans	55.4	27.2	-179.6	-50.2	-80.1	0	0	0	114	R220 M221 A222 L227 F228 R229	R220-N225 CarbonylContact O-C 3.6Å; R220-N225 WeakPolarHBondContact O-CA 3.47Å; M221-N225 PolarHBondContact O-N 2.93Å; A222-N225 PolarHBondContact O-N 3.41Å; N225-L227 VanDerWaalsContact C-N 3.33Å; N225-L227 PolarHBondContact O-N 2.7Å; N225-F228 HydrophobicContact CB-CB 4.3Å; N225-F228 PolarHBondContact O-N 3.23Å; N225-F228 VanDerWaalsContact O-N 3.16Å; N225-R229 WeakPolarHBondContact O-CG 3.35Å; N225-R229 PolarHBondContact O-N 2.96Å
226	K	95.2	Very high	94.5	Very high	94 Å²	94	58.1 Å²	58.1	41%	0.409	30%	0.298	S	S	.	.	H	α-helix	trans	-53.4	-47.2	-173.2	172.8	-178.3	168	-167.9	0	112.7	A222 D223 D224 R229 E230	A222-K226 PolarHBondContact O-N 3.07Å; A222-K226 VanDerWaalsContact O-N 3.13Å; D223-K226 HydrophobicContact CB-CB 3.76Å; D223-K226 HydrophobicContact CB-CD 3.98Å; D223-K226 VanDerWaalsContact O-CB 3.3Å; D223-K226 WeakPolarHBondContact O-CB 3.44Å; D223-K226 PolarHBondContact O-N 3.31Å; D224-K226 PolarHBondContact O-N 3.2Å; K226-R229 WeakPolarHBondContact O-CB 3.43Å; K226-R229 PolarHBondContact O-N 3.39Å; K226-E230 WeakPolarHBondContact CE-OE1 3.28Å; K226-E230 PolarHBondContact O-N 3.07Å
227	L	96.3	Very high	93.9	Very high	53 Å²	53	61.8 Å²	61.8	28%	0.277	32%	0.322	S	S	.	.	H	α-helix	trans	-72	-33.2	-177.1	-68.5	172.7	0	0	0	112.2	R220 N225 R229 E230 E231	R220-L227 HydrophobicContact CB-CB 4.4Å; R220-L227 HydrophobicContact CG-CB 4.28Å; N225-L227 VanDerWaalsContact C-N 3.33Å; N225-L227 PolarHBondContact O-N 2.7Å; L227-R229 VanDerWaalsContact C-N 3.34Å; L227-E230 PolarHBondContact O-N 3.48Å; L227-E231 VanDerWaalsContact O-CB 3.31Å; L227-E231 WeakPolarHBondContact O-CB 3.28Å; L227-E231 PolarHBondContact O-N 3.12Å
228	F	97.3	Very high	93.5	Very high	1 Å²	1	63.2 Å²	63.2	0%	0.004	33%	0.333	C	S	.	.	H	α-helix	trans	-63.1	-39.5	168.6	-83.9	-53.8	0	0	0	112	M217 R220 M221 N225 E231 F232 Y478 V479 F482	M217-F228 HydrophobicContact CE-CE2 4.07Å; M217-F228 HydrophobicContact CE-CZ 4.27Å; M217-F228 HydrophobicContact SD-CE2 3.66Å; M217-F228 HydrophobicContact SD-CZ 3.46Å; M217-F228 WeakPolarHBondContact SD-CZ 3.45Å; R220-F228 VanDerWaalsContact C-CD2 3.5Å; R220-F228 HydrophobicContact CB-CD1 4Å; R220-F228 HydrophobicContact CB-CD2 3.49Å; R220-F228 VanDerWaalsContact CB-CD2 3.49Å; R220-F228 HydrophobicContact CB-CE1 3.85Å; R220-F228 HydrophobicContact CB-CE2 3.33Å; R220-F228 HydrophobicContact CB-CG 3.81Å; R220-F228 HydrophobicContact CB-CZ 3.52Å; R220-F228 VanDerWaalsContact CD-CE1 3.47Å; R220-F228 HydrophobicContact CG-CE1 4.31Å; R220-F228 HydrophobicContact CG-CZ 4.32Å; R220-F228 WeakPolarHBondContact O-CD2 3.22Å; M221-F228 HydrophobicContact CG-CD2 4.36Å; M221-F228 HydrophobicContact CG-CE2 3.9Å; N225-F228 HydrophobicContact CB-CB 4.3Å; N225-F228 PolarHBondContact O-N 3.23Å; N225-F228 VanDerWaalsContact O-N 3.16Å; F228-E231 PolarHBondContact O-N 2.67Å; F228-F232 VanDerWaalsContact O-CB 3.29Å; F228-F232 WeakPolarHBondContact O-CB 3.45Å; F228-F232 PolarHBondContact O-N 3.49Å; F228-Y478 HydrophobicContact CD1-CD1 4.13Å; F228-Y478 HydrophobicContact CD1-CE1 4.19Å; F228-V479 HydrophobicContact CB-CG2 3.77Å; F228-V479 HydrophobicContact CD1-CG2 4.33Å; F228-V479 HydrophobicContact CD2-CG1 4.45Å; F228-V479 HydrophobicContact CD2-CG2 3.71Å; F228-V479 HydrophobicContact CE2-CG1 4.43Å; F228-V479 HydrophobicContact CE2-CG2 4.35Å; F228-V479 HydrophobicContact CG-CG2 3.7Å; F228-F482 HydrophobicContact CD1-CE2 4.44Å; F228-F482 HydrophobicContact CE1-CB 4.37Å; F228-F482 AromaticContact CE1-CD1 3.93Å; F228-F482 HydrophobicContact CE1-CD1 3.93Å; F228-F482 AromaticContact CE1-CD2 3.61Å; F228-F482 HydrophobicContact CE1-CD2 3.61Å; F228-F482 HydrophobicContact CE1-CE1 4.02Å; F228-F482 AromaticContact CE1-CE2 3.74Å; F228-F482 HydrophobicContact CE1-CE2 3.74Å; F228-F482 AromaticContact CE1-CG 3.72Å; F228-F482 HydrophobicContact CE1-CG 3.72Å; F228-F482 AromaticContact CE1-CZ 3.93Å; F228-F482 HydrophobicContact CE1-CZ 3.93Å; F228-F482 HydrophobicContact CZ-CB 4.04Å; F228-F482 HydrophobicContact CZ-CD1 4.05Å; F228-F482 HydrophobicContact CZ-CD2 4.14Å; F228-F482 AromaticContact CZ-CG 3.83Å; F228-F482 HydrophobicContact CZ-CG 3.83Å
229	R	96.8	Very high	92.8	Very high	87 Å²	87	61.4 Å²	61.4	33%	0.328	33%	0.326	S	S	.	.	H	α-helix	trans	-65.4	-42.1	174	-68.4	-176.6	-69.7	-171.5	-1.4	111.7	D223 D224 N225 K226 L227 N233 D475	D223-R229 PolarHBondContact O-NH2 3.17Å; D224-R229 PolarHBondContact O-NE 3.28Å; D224-R229 PolarHBondContact O-NH2 2.71Å; D224-R229 IonicContact OD2-CZ 2.72Å; D224-R229 IonicContact OD2-NH1 2.75Å; D224-R229 PolarHBondContact OD2-NH1 3.39Å; D224-R229 IonicContact OD2-NH2 2.66Å; D224-R229 PolarHBondContact OD2-NH2 3.47Å; N225-R229 WeakPolarHBondContact O-CG 3.35Å; N225-R229 PolarHBondContact O-N 2.96Å; K226-R229 WeakPolarHBondContact O-CB 3.43Å; K226-R229 PolarHBondContact O-N 3.39Å; L227-R229 VanDerWaalsContact C-N 3.34Å; R229-N233 VanDerWaalsContact O-CB 3.27Å; R229-N233 WeakPolarHBondContact O-CB 3.33Å; R229-N233 VanDerWaalsContact O-CG 3.23Å; R229-N233 PolarHBondContact O-N 3.01Å; R229-N233 PolarHBondContact O-ND2 2.91Å; R229-D475 HydrophobicContact CG-CB 4.28Å
230	E	96.4	Very high	92.3	Very high	79 Å²	79	59.3 Å²	59.3	37%	0.369	32%	0.323	S	S	.	.	H	α-helix	trans	-62.4	-39.7	173.7	-75.1	-176.4	-145.5	0	0	112.9	K204 Y205 K226 L227 A234	K204-E230 IonicContact NZ-OE2 2.68Å; Y205-E230 PolarHBondContact OH-O 3.47Å; K226-E230 WeakPolarHBondContact CE-OE1 3.28Å; K226-E230 PolarHBondContact O-N 3.07Å; L227-E230 PolarHBondContact O-N 3.48Å; E230-A234 WeakPolarHBondContact O-CB 3.07Å; E230-A234 PolarHBondContact O-N 2.86Å
231	E	96.9	Very high	91.8	Very high	3 Å²	3	68.6 Å²	68.6	1%	0.014	37%	0.367	C	S	.	.	H	α-helix	trans	-69.3	-48.9	177.5	-179.7	-179.1	-179.2	0	0	112.5	Y205 R220 L227 F228 N233 A234 L235 F458 Y478	Y205-E231 HydrophobicContact CD1-CB 4.21Å; Y205-E231 HydrophobicContact CD1-CG 3.71Å; Y205-E231 HydrophobicContact CE1-CB 3.59Å; Y205-E231 HydrophobicContact CE1-CG 3.62Å; Y205-E231 HydrophobicContact CG-CG 4.2Å; Y205-E231 WeakPolarHBondContact OH-CA 3.46Å; R220-E231 IonicContact CZ-OE1 2.76Å; R220-E231 IonicContact CZ-OE2 3.54Å; R220-E231 IonicContact NE-OE2 2.85Å; R220-E231 IonicContact NH1-OE1 2.71Å; R220-E231 PolarHBondContact NH1-OE1 2.72Å; R220-E231 IonicContact NH1-OE2 2.75Å; R220-E231 PolarHBondContact NH1-OE2 2.81Å; L227-E231 VanDerWaalsContact O-CB 3.31Å; L227-E231 WeakPolarHBondContact O-CB 3.28Å; L227-E231 PolarHBondContact O-N 3.12Å; F228-E231 PolarHBondContact O-N 2.67Å; E231-N233 VanDerWaalsContact C-N 3.32Å; E231-N233 PolarHBondContact O-N 3.08Å; E231-A234 WeakPolarHBondContact O-CA 3.47Å; E231-A234 WeakPolarHBondContact O-CB 3.46Å; E231-A234 PolarHBondContact O-N 2.76Å; E231-L235 PolarHBondContact O-N 2.88Å; E231-F458 HydrophobicContact CG-CD2 3.73Å; E231-F458 HydrophobicContact CG-CE2 4.37Å; E231-Y478 VanDerWaalsContact CD-CE1 3.49Å; E231-Y478 VanDerWaalsContact CD-OH 3.29Å; E231-Y478 HydrophobicContact CG-CE1 3.85Å; E231-Y478 PolarHBondContact OE1-OH 3.15Å
232	F	97.3	Very high	91.6	Very high	25 Å²	25	66.5 Å²	66.5	11%	0.11	36%	0.362	C	S	.	.	H	α-helix	trans	-60	-42.7	177.8	177.2	-98.7	0	0	0	111.7	F228 A234 L235 V472 T474 D475 Y478	F228-F232 VanDerWaalsContact O-CB 3.29Å; F228-F232 WeakPolarHBondContact O-CB 3.45Å; F228-F232 PolarHBondContact O-N 3.49Å; F232-A234 PolarHBondContact O-N 2.96Å; F232-L235 HydrophobicContact CD2-CD1 3.76Å; F232-L235 HydrophobicContact CE2-CD1 4.19Å; F232-L235 HydrophobicContact CG-CD1 4.5Å; F232-L235 WeakPolarHBondContact O-CB 3.34Å; F232-L235 PolarHBondContact O-N 2.97Å; F232-V472 HydrophobicContact CE2-CG1 4.4Å; F232-V472 WeakPolarHBondContact CE2-O 3.36Å; F232-T474 WeakPolarHBondContact CE2-O 3.31Å; F232-T474 VanDerWaalsContact CZ-C 3.49Å; F232-D475 HydrophobicContact CB-CB 4.37Å; F232-D475 HydrophobicContact CD1-CB 4.03Å; F232-D475 HydrophobicContact CG-CB 4.17Å; F232-Y478 HydrophobicContact CB-CD1 4.39Å; F232-Y478 HydrophobicContact CB-CG 4.45Å; F232-Y478 HydrophobicContact CD2-CD2 4.13Å; F232-Y478 AromaticContact CD2-CG 3.96Å; F232-Y478 HydrophobicContact CD2-CG 3.96Å
233	N	95.9	Very high	91.8	Very high	128 Å²	128	66.9 Å²	66.9	68%	0.684	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-12.8	176.1	-70.5	-42.8	0	0	0	113.7	R229 E231	R229-N233 VanDerWaalsContact O-CB 3.27Å; R229-N233 WeakPolarHBondContact O-CB 3.33Å; R229-N233 VanDerWaalsContact O-CG 3.23Å; R229-N233 PolarHBondContact O-N 3.01Å; R229-N233 PolarHBondContact O-ND2 2.91Å; E231-N233 VanDerWaalsContact C-N 3.32Å; E231-N233 PolarHBondContact O-N 3.08Å
234	A	96.1	Very high	91.9	Very high	44 Å²	44	63 Å²	63	36%	0.364	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-4.8	173.4	0	0	0	0	0	113.6	Y205 E230 E231 F232 F458	Y205-A234 HydrophobicContact CE2-CB 3.77Å; E230-A234 WeakPolarHBondContact O-CB 3.07Å; E230-A234 PolarHBondContact O-N 2.86Å; E231-A234 WeakPolarHBondContact O-CA 3.47Å; E231-A234 WeakPolarHBondContact O-CB 3.46Å; E231-A234 PolarHBondContact O-N 2.76Å; F232-A234 PolarHBondContact O-N 2.96Å; A234-F458 HydrophobicContact CB-CE2 4.29Å
235	L	94.8	Very high	92.1	Very high	11 Å²	11	63 Å²	63	6%	0.058	34%	0.343	C	S	.	.	S	Bend	trans	-68.3	132.5	171.2	-68.7	165.9	0	0	0	110.1	E231 F232 F458 V461 R465 Y478	E231-L235 PolarHBondContact O-N 2.88Å; F232-L235 HydrophobicContact CD2-CD1 3.76Å; F232-L235 HydrophobicContact CE2-CD1 4.19Å; F232-L235 HydrophobicContact CG-CD1 4.5Å; F232-L235 WeakPolarHBondContact O-CB 3.34Å; F232-L235 PolarHBondContact O-N 2.97Å; L235-F458 HydrophobicContact CD2-CD2 3.54Å; L235-F458 HydrophobicContact CD2-CE2 3.55Å; L235-F458 HydrophobicContact CD2-CG 4.05Å; L235-F458 HydrophobicContact CD2-CZ 4.06Å; L235-F458 HydrophobicContact CG-CD2 4.11Å; L235-F458 HydrophobicContact CG-CE2 3.87Å; L235-V461 HydrophobicContact CD1-CG1 3.75Å; L235-V461 HydrophobicContact CD2-CB 4.13Å; L235-V461 HydrophobicContact CD2-CG1 4Å; L235-V461 HydrophobicContact CG-CG1 4.49Å; L235-R465 VanDerWaalsContact CB-NH1 3.3Å; L235-Y478 HydrophobicContact CD1-CD2 4.07Å; L235-Y478 HydrophobicContact CD1-CE2 3.87Å
236	P	91.4	Very high	92.3	Very high	41 Å²	41	62.1 Å²	62.1	27%	0.266	34%	0.341	S	S	.	.			trans	-63.2	152.6	176.7	26.8	-33.3	0	0	0	111.6	P239 T462 R465	P236-P239 HydrophobicContact CG-CB 4.11Å; P236-T462 HydrophobicContact CG-CG2 3.74Å; P236-R465 WeakPolarHBondContact O-CD 3.39Å; P236-R465 PolarHBondContact O-NH1 3.28Å
237	V	83.1	Confident	92.3	Very high	113 Å²	113	57.7 Å²	57.7	69%	0.685	32%	0.321	S	S	*	.	S	Bend	trans	-71.4	-46.7	174.4	179.1	0	0	0	0	110.2
238	C	84.9	Confident	92.3	Very high	36 Å²	36	57.9 Å²	57.9	24%	0.243	33%	0.327	C	S	.	.			trans	-143	133.7	160.4	-170.6	0	0	0	0	107.4	I240 Y264	C238-I240 VanDerWaalsContact C-N 3.29Å; C238-I240 PolarHBondContact SG-O 3.18Å; C238-Y264 WeakPolarHBondContact CB-OH 3.43Å
239	P	78.4	Confident	92.2	Very high	60 Å²	60	62 Å²	62	39%	0.39	35%	0.345	S	S	.	.	S	Bend	trans	-80.5	-5.9	178	34.5	-39.1	0	0	0	113.9	P236 T462 A466	P236-P239 HydrophobicContact CG-CB 4.11Å; P239-T462 HydrophobicContact CB-CG2 4.34Å; P239-A466 HydrophobicContact CG-CB 3.6Å
240	I	85.1	Confident	92	Very high	79 Å²	79	64 Å²	64	41%	0.405	36%	0.358	S	S	.	.	S	Bend	trans	-129.9	162.4	-179	58.8	169.5	0	0	0	110.7	C238 A242 A466	C238-I240 VanDerWaalsContact C-N 3.29Å; C238-I240 PolarHBondContact SG-O 3.18Å; I240-A242 HydrophobicContact CD1-CB 4.28Å; I240-A242 HydrophobicContact CG1-CB 4.24Å; I240-A242 PolarHBondContact O-N 2.67Å; I240-A466 HydrophobicContact CD1-CB 4.1Å; I240-A466 HydrophobicContact CG1-CB 4.21Å
241	Q	84.4	Confident	91.9	Very high	204 Å²	204	65.8 Å²	65.8	95%	0.953	37%	0.367	S	S	*	.			trans	-77.8	116	163.9	-70	179.8	-14.8	0	0	108.2
242	A	87.8	Confident	91.8	Very high	33 Å²	33	65.6 Å²	65.6	27%	0.273	37%	0.366	S	S	.	.			trans	-135.9	132	-179	0	0	0	0	0	110.2	I240 Y264	I240-A242 HydrophobicContact CD1-CB 4.28Å; I240-A242 HydrophobicContact CG1-CB 4.24Å; I240-A242 PolarHBondContact O-N 2.67Å; A242-Y264 HydrophobicContact CB-CD1 3.69Å; A242-Y264 HydrophobicContact CB-CD2 4.21Å; A242-Y264 HydrophobicContact CB-CE1 4.15Å; A242-Y264 HydrophobicContact CB-CG 3.73Å
243	S	94.4	Very high	91.7	Very high	55 Å²	55	68.6 Å²	68.6	39%	0.385	38%	0.379	S	S	.	.			trans	-80.8	164.5	173.8	59.5	0	0	0	0	111.5	Y264 D265	S243-Y264 VanDerWaalsContact O-CA 3.29Å; S243-Y264 WeakPolarHBondContact O-CA 3.49Å; S243-D265 WeakPolarHBondContact CB-OD2 3.39Å; S243-D265 PolarHBondContact O-N 3.46Å; S243-D265 PolarHBondContact OG-OD2 3.19Å
244	C	94.3	Very high	91.7	Very high	36 Å²	36	68.8 Å²	68.8	24%	0.243	38%	0.375	C	S	.	.			trans	-144.1	40.3	173.3	55.4	0	0	0	0	110	A247 S248 L262 P263 D265	C244-A247 HydrophobicContact CB-CB 4.46Å; C244-A247 WeakPolarHBondContact O-CB 3.37Å; C244-A247 PolarHBondContact O-N 3.25Å; C244-S248 WeakPolarHBondContact O-CB 3.31Å; C244-S248 PolarHBondContact O-N 3.09Å; C244-S248 PolarHBondContact O-OG 3.03Å; C244-L262 HydrophobicContact CB-CB 4.1Å; C244-L262 HydrophobicContact CB-CD1 4.41Å; C244-P263 VanDerWaalsContact CB-O 3.29Å; C244-P263 WeakPolarHBondContact CB-O 3.39Å; C244-D265 WeakPolarHBondContact CA-OD2 3.3Å; C244-D265 PolarHBondContact N-OD2 2.81Å
245	D	95.8	Very high	91.7	Very high	109 Å²	109	68.4 Å²	68.4	58%	0.583	37%	0.366	S	S	*	.	H	α-helix	trans	-72.7	-40.5	-164.9	-58.5	-8.4	0	0	0	110.1	A247 S248 K249 D265	D245-A247 VanDerWaalsContact C-N 3.25Å; D245-A247 PolarHBondContact O-N 3.37Å; D245-S248 PolarHBondContact O-N 2.93Å; D245-S248 VanDerWaalsContact O-N 3.14Å; D245-K249 PolarHBondContact O-N 2.72Å; D245-D265 PolarHBondContact N-OD1 2.87Å; D245-D265 PolarHBondContact N-OD2 3.25Å
246	A	95.1	Very high	91.9	Very high	13 Å²	13	68.5 Å²	68.5	11%	0.107	37%	0.366	C	S	.	.	H	α-helix	trans	-63.5	-33.5	173.9	0	0	0	0	0	111.9	N252 D265 F282	A246-N252 WeakPolarHBondContact O-CB 3.47Å; A246-N252 PolarHBondContact O-ND2 2.71Å; A246-D265 VanDerWaalsContact CB-OD1 3.28Å; A246-D265 WeakPolarHBondContact CB-OD1 3.33Å; A246-D265 PolarHBondContact N-OD1 2.9Å; A246-F282 HydrophobicContact CB-CD2 4.38Å
247	A	95.5	Very high	92.1	Very high	1 Å²	1	68.8 Å²	68.8	1%	0.008	36%	0.362	C	S	.	.	H	α-helix	trans	-77.8	-19.9	176.8	0	0	0	0	0	114	C244 D245 N256 L262 P263 F282	C244-A247 HydrophobicContact CB-CB 4.46Å; C244-A247 WeakPolarHBondContact O-CB 3.37Å; C244-A247 PolarHBondContact O-N 3.25Å; D245-A247 VanDerWaalsContact C-N 3.25Å; D245-A247 PolarHBondContact O-N 3.37Å; A247-N256 PolarHBondContact O-ND2 3.11Å; A247-L262 HydrophobicContact CB-CB 3.87Å; A247-L262 HydrophobicContact CB-CD1 4.22Å; A247-L262 HydrophobicContact CB-CD2 4.23Å; A247-L262 HydrophobicContact CB-CG 4.32Å; A247-P263 HydrophobicContact CB-CG 3.99Å; A247-F282 VanDerWaalsContact CA-CE2 3.45Å; A247-F282 HydrophobicContact CB-CE2 3.59Å; A247-F282 HydrophobicContact CB-CZ 3.69Å
248	S	95.8	Very high	92.7	Very high	57 Å²	57	67.3 Å²	67.3	40%	0.399	35%	0.345	S	S	.	.	H	α-helix	trans	-94.1	-14.8	-176.3	-59.6	0	0	0	0	113.6	C244 D245	C244-S248 WeakPolarHBondContact O-CB 3.31Å; C244-S248 PolarHBondContact O-N 3.09Å; C244-S248 PolarHBondContact O-OG 3.03Å; D245-S248 PolarHBondContact O-N 2.93Å; D245-S248 VanDerWaalsContact O-N 3.14Å
249	K	95.3	Very high	93.2	Very high	89 Å²	89	73.2 Å²	73.2	39%	0.387	37%	0.372	S	S	.	.	S	Bend	trans	-49.7	141.5	170.1	-80.8	-173.4	170.9	-167.9	0	112.6	D245 E251 N252 K253 D279	D245-K249 PolarHBondContact O-N 2.72Å; K249-E251 VanDerWaalsContact C-N 3.28Å; K249-E251 PolarHBondContact O-N 3.07Å; K249-N252 HydrophobicContact CB-CB 4.27Å; K249-N252 PolarHBondContact O-N 2.74Å; K249-K253 WeakPolarHBondContact O-CG 3.38Å; K249-K253 PolarHBondContact O-N 3.08Å; K249-K253 VanDerWaalsContact O-N 3.12Å; K249-D279 WeakPolarHBondContact CD-OD1 3.48Å; K249-D279 WeakPolarHBondContact CE-OD1 3.41Å; K249-D279 IonicContact NZ-OD1 2.64Å; K249-D279 PolarHBondContact NZ-OD1 2.89Å; K249-D279 IonicContact NZ-OD2 3.15Å; K249-D279 PolarHBondContact NZ-OD2 3.2Å
250	E	94.3	Very high	93.8	Very high	129 Å²	129	75 Å²	75	60%	0.603	38%	0.378	S	S	*	.	H	α-helix	trans	-57.5	-43.6	-178.9	-153.4	67.9	-126.7	0	0	111.4	N252 K253	E250-N252 PolarHBondContact O-N 2.71Å; E250-N252 VanDerWaalsContact O-N 3.12Å; E250-K253 PolarHBondContact O-N 3.07Å; E250-K253 WeakPolarHBondContact OE1-CD 3.18Å; E250-K253 WeakPolarHBondContact OE1-CE 3.44Å; E250-K253 IonicContact OE1-NZ 3.24Å; E250-K253 PolarHBondContact OE1-NZ 3.17Å; E250-K253 WeakPolarHBondContact OE2-CE 3.47Å; E250-K253 IonicContact OE2-NZ 3.61Å; E250-K253 PolarHBondContact OE2-NZ 2.81Å
251	E	93.1	Very high	94.4	Very high	115 Å²	115	71.4 Å²	71.4	54%	0.537	36%	0.36	S	S	.	.	H	α-helix	trans	-61.9	-19.1	179.1	-56.4	76.1	-167.8	0	0	113.3	K249 D279	K249-E251 VanDerWaalsContact C-N 3.28Å; K249-E251 PolarHBondContact O-N 3.07Å; E251-D279 HydrophobicContact CB-CB 4.14Å
252	N	96.2	Very high	95	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-111	-9	-178.2	-67.9	-31.1	0	0	0	113.5	A246 K249 E250 E254 K255 N256 D279 F282	A246-N252 WeakPolarHBondContact O-CB 3.47Å; A246-N252 PolarHBondContact O-ND2 2.71Å; K249-N252 HydrophobicContact CB-CB 4.27Å; K249-N252 PolarHBondContact O-N 2.74Å; E250-N252 PolarHBondContact O-N 2.71Å; E250-N252 VanDerWaalsContact O-N 3.12Å; N252-E254 VanDerWaalsContact C-N 3.35Å; N252-E254 PolarHBondContact O-N 2.88Å; N252-K255 WeakPolarHBondContact O-CB 3.47Å; N252-K255 PolarHBondContact O-N 2.74Å; N252-K255 WeakPolarHBondContact OD1-CD 3.47Å; N252-K255 PolarHBondContact OD1-NZ 3.44Å; N252-N256 PolarHBondContact O-ND2 2.94Å; N252-N256 VanDerWaalsContact O-ND2 3.13Å; N252-D279 PolarHBondContact ND2-OD1 3.45Å; N252-D279 VanDerWaalsContact ND2-OD1 3.11Å; N252-F282 HydrophobicContact CB-CD1 3.72Å; N252-F282 HydrophobicContact CB-CE1 4.03Å; N252-F282 HydrophobicContact CB-CG 4.04Å
253	K	94.7	Very high	95.5	Very high	88 Å²	88	61.3 Å²	61.3	38%	0.383	31%	0.308	S	S	.	.	H	α-helix	trans	-57.4	-46.5	179.3	-73.9	-177.3	-165.1	167.3	0	112.1	K249 E250 K255 N256	K249-K253 WeakPolarHBondContact O-CG 3.38Å; K249-K253 PolarHBondContact O-N 3.08Å; K249-K253 VanDerWaalsContact O-N 3.12Å; E250-K253 PolarHBondContact O-N 3.07Å; E250-K253 WeakPolarHBondContact OE1-CD 3.18Å; E250-K253 WeakPolarHBondContact OE1-CE 3.44Å; E250-K253 IonicContact OE1-NZ 3.24Å; E250-K253 PolarHBondContact OE1-NZ 3.17Å; E250-K253 WeakPolarHBondContact OE2-CE 3.47Å; E250-K253 IonicContact OE2-NZ 3.61Å; E250-K253 PolarHBondContact OE2-NZ 2.81Å; K253-K255 PolarHBondContact O-N 3.23Å; K253-N256 WeakPolarHBondContact O-CB 3.48Å; K253-N256 PolarHBondContact O-N 3.36Å
254	E	95.1	Very high	95.6	Very high	131 Å²	131	59.8 Å²	59.8	61%	0.612	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.1	178.4	-69.8	-51	137.7	0	0	113.5	N252 N256 K304	N252-E254 VanDerWaalsContact C-N 3.35Å; N252-E254 PolarHBondContact O-N 2.88Å; E254-N256 PolarHBondContact O-N 3.17Å; E254-K304 WeakPolarHBondContact O-CD 3.43Å; E254-K304 WeakPolarHBondContact O-CE 3.49Å; E254-K304 PolarHBondContact O-NZ 3.04Å; E254-K304 IonicContact OE2-NZ 3.61Å; E254-K304 PolarHBondContact OE2-NZ 3.26Å
255	K	97.1	Very high	95.8	Very high	37 Å²	37	59.5 Å²	59.5	16%	0.161	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-11.6	172.7	-60.2	171	-171.5	155.1	0	112.2	N252 K253 D279 F282 Q301 T307	N252-K255 WeakPolarHBondContact O-CB 3.47Å; N252-K255 PolarHBondContact O-N 2.74Å; N252-K255 WeakPolarHBondContact OD1-CD 3.47Å; N252-K255 PolarHBondContact OD1-NZ 3.44Å; K253-K255 PolarHBondContact O-N 3.23Å; K255-D279 PolarHBondContact NZ-O 3.05Å; K255-F282 HydrophobicContact CB-CD1 4Å; K255-F282 HydrophobicContact CB-CE1 4.01Å; K255-F282 HydrophobicContact CD-CD1 3.84Å; K255-Q301 PolarHBondContact O-NE2 2.64Å; K255-T307 HydrophobicContact CB-CG2 4.06Å; K255-T307 HydrophobicContact CG-CG2 4.23Å
256	N	97.6	Very high	95.9	Very high	13 Å²	13	59.6 Å²	59.6	7%	0.07	29%	0.287	C	S	.	.			trans	-94.2	129.4	176.9	-60.9	-56.5	0	0	0	111.7	A247 N252 K253 E254 Y258 L262 N284	A247-N256 PolarHBondContact O-ND2 3.11Å; N252-N256 PolarHBondContact O-ND2 2.94Å; N252-N256 VanDerWaalsContact O-ND2 3.13Å; K253-N256 WeakPolarHBondContact O-CB 3.48Å; K253-N256 PolarHBondContact O-N 3.36Å; E254-N256 PolarHBondContact O-N 3.17Å; N256-Y258 VanDerWaalsContact C-N 3.34Å; N256-L262 HydrophobicContact CB-CD2 4.26Å; N256-N284 PolarHBondContact OD1-ND2 2.8Å
257	R	96.8	Very high	96	Very high	46 Å²	46	59.4 Å²	59.4	17%	0.174	29%	0.285	C	S	.	.	S	Bend	trans	-73.3	-25.4	173.1	-176.1	177.2	-80.6	-85.8	0.1	112.9	G302 P303 K304 C335 K336 S430	R257-G302 PolarHBondContact NE-O 2.99Å; R257-P303 PolarHBondContact NH2-O 2.93Å; R257-K304 HydrophobicContact CB-CG 4.23Å; R257-C335 PolarHBondContact NH1-O 3Å; R257-K336 VanDerWaalsContact CZ-O 3.32Å; R257-K336 PolarHBondContact NE-O 2.84Å; R257-K336 PolarHBondContact NH1-O 3.4Å; R257-S430 WeakPolarHBondContact CD-OG 3.41Å
258	Y	95.7	Very high	96.2	Very high	82 Å²	82	60.5 Å²	60.5	32%	0.322	29%	0.289	S	S	.	.			trans	-142.7	123.6	179.7	-60.8	-77.8	0	0	0	111.1	N256 N260 I261 S430 A431	N256-Y258 VanDerWaalsContact C-N 3.34Å; Y258-N260 PolarHBondContact O-N 3.37Å; Y258-N260 VanDerWaalsContact O-N 3.08Å; Y258-I261 HydrophobicContact CG-CG1 4.46Å; Y258-I261 PolarHBondContact O-N 2.74Å; Y258-I261 VanDerWaalsContact O-N 3.11Å; Y258-S430 VanDerWaalsContact CE2-OG 3.32Å; Y258-S430 WeakPolarHBondContact CE2-OG 3.49Å; Y258-S430 PolarHBondContact OH-OG 3.28Å; Y258-A431 HydrophobicContact CD2-CB 3.67Å; Y258-A431 HydrophobicContact CE2-CB 3.7Å
259	I	94.1	Very high	96.3	Very high	160 Å²	160	57.8 Å²	57.8	82%	0.821	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-19	-178	62.4	173.1	0	0	0	114.5
260	N	92.5	Very high	96.4	Very high	98 Å²	98	58.1 Å²	58.1	52%	0.524	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	5.4	-178.8	68.2	-39.1	0	0	0	113.8	Y258 Q470	Y258-N260 PolarHBondContact O-N 3.37Å; Y258-N260 VanDerWaalsContact O-N 3.08Å; N260-Q470 PolarHBondContact O-NE2 3.31Å
261	I	96.1	Very high	96.6	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.021	25%	0.246	C	C	.	.			trans	-125.1	78.3	178.4	-49	-67.6	0	0	0	108.8	Y258 N284 A431 V433 Q470	Y258-I261 HydrophobicContact CG-CG1 4.46Å; Y258-I261 PolarHBondContact O-N 2.74Å; Y258-I261 VanDerWaalsContact O-N 3.11Å; I261-N284 PolarHBondContact O-ND2 3.15Å; I261-A431 HydrophobicContact CG1-CB 4.22Å; I261-A431 HydrophobicContact CG2-CB 4.24Å; I261-A431 WeakPolarHBondContact CG2-O 3.49Å; I261-V433 HydrophobicContact CD1-CG2 4.25Å; I261-V433 HydrophobicContact CG2-CG1 3.59Å; I261-V433 HydrophobicContact CG2-CG2 4.27Å; I261-Q470 HydrophobicContact CD1-CG 4.43Å; I261-Q470 VanDerWaalsContact CD1-NE2 3.32Å
262	L	97.6	Very high	96.8	Very high	25 Å²	25	50.3 Å²	50.3	13%	0.131	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-102	147.4	-179.3	-53.8	-175.7	0	0	0	110.4	C244 A247 N256 S469	C244-L262 HydrophobicContact CB-CB 4.1Å; C244-L262 HydrophobicContact CB-CD1 4.41Å; A247-L262 HydrophobicContact CB-CB 3.87Å; A247-L262 HydrophobicContact CB-CD1 4.22Å; A247-L262 HydrophobicContact CB-CD2 4.23Å; A247-L262 HydrophobicContact CB-CG 4.32Å; N256-L262 HydrophobicContact CB-CD2 4.26Å; L262-S469 PolarHBondContact O-OG 2.83Å
263	P	97.8	Very high	96.7	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-70.2	154.8	166.4	33.9	-36.9	0	0	0	110.1	C244 A247 R268 F282 S286	C244-P263 VanDerWaalsContact CB-O 3.29Å; C244-P263 WeakPolarHBondContact CB-O 3.39Å; A247-P263 HydrophobicContact CB-CG 3.99Å; P263-R268 HydrophobicContact CB-CB 4.01Å; P263-R268 HydrophobicContact CG-CB 4.36Å; P263-F282 HydrophobicContact CG-CE2 3.81Å; P263-F282 HydrophobicContact CG-CZ 4Å; P263-S286 VanDerWaalsContact CB-OG 3.28Å; P263-S286 WeakPolarHBondContact CB-OG 3.2Å
264	Y	98.2	Very high	96.5	Very high	22 Å²	22	54.4 Å²	54.4	9%	0.086	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-86.5	144.2	170.3	-59.1	-51.9	0	0	0	110.7	C238 A242 S243 H266 S267 R268 A466 S469	C238-Y264 WeakPolarHBondContact CB-OH 3.43Å; A242-Y264 HydrophobicContact CB-CD1 3.69Å; A242-Y264 HydrophobicContact CB-CD2 4.21Å; A242-Y264 HydrophobicContact CB-CE1 4.15Å; A242-Y264 HydrophobicContact CB-CG 3.73Å; S243-Y264 VanDerWaalsContact O-CA 3.29Å; S243-Y264 WeakPolarHBondContact O-CA 3.49Å; Y264-H266 VanDerWaalsContact C-N 3.27Å; Y264-H266 PolarHBondContact O-N 3.46Å; Y264-S267 PolarHBondContact O-N 2.81Å; Y264-S267 VanDerWaalsContact O-N 3.16Å; Y264-S267 PolarHBondContact O-OG 3.04Å; Y264-R268 WeakPolarHBondContact O-CB 3.29Å; Y264-R268 PolarHBondContact O-N 3.2Å; Y264-A466 VanDerWaalsContact CD2-O 3.31Å; Y264-A466 WeakPolarHBondContact CD2-O 3.39Å; Y264-S469 WeakPolarHBondContact OH-CA 3.36Å; Y264-S469 WeakPolarHBondContact OH-CB 3.2Å
265	D	97.7	Very high	96.3	Very high	31 Å²	31	57.7 Å²	57.7	17%	0.166	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-31.9	-172.7	-58.1	-57.4	0	0	0	113.1	S243 C244 D245 A246 S267	S243-D265 WeakPolarHBondContact CB-OD2 3.39Å; S243-D265 PolarHBondContact O-N 3.46Å; S243-D265 PolarHBondContact OG-OD2 3.19Å; C244-D265 WeakPolarHBondContact CA-OD2 3.3Å; C244-D265 PolarHBondContact N-OD2 2.81Å; D245-D265 PolarHBondContact N-OD1 2.87Å; D245-D265 PolarHBondContact N-OD2 3.25Å; A246-D265 VanDerWaalsContact CB-OD1 3.28Å; A246-D265 WeakPolarHBondContact CB-OD1 3.33Å; A246-D265 PolarHBondContact N-OD1 2.9Å; D265-S267 PolarHBondContact O-N 2.77Å
266	H	97.7	Very high	95.9	Very high	110 Å²	110	59.8 Å²	59.8	51%	0.509	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-11.3	-179.5	77.6	-87.6	0	0	0	114.3	Y264 A466	Y264-H266 VanDerWaalsContact C-N 3.27Å; Y264-H266 PolarHBondContact O-N 3.46Å; H266-A466 PolarHBondContact CE1-O 3.43Å; H266-A466 PolarHBondContact NE2-O 3.18Å
267	S	97.9	Very high	95.5	Very high	9 Å²	9	63 Å²	63	6%	0.063	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.6	-4.1	-172.5	63.9	0	0	0	0	113.7	Y264 D265 S286 F287 Q467	Y264-S267 PolarHBondContact O-N 2.81Å; Y264-S267 VanDerWaalsContact O-N 3.16Å; Y264-S267 PolarHBondContact O-OG 3.04Å; D265-S267 PolarHBondContact O-N 2.77Å; S267-S286 CarbonylContact O-C 3.57Å; S267-S286 VanDerWaalsContact O-CA 3.27Å; S267-S286 WeakPolarHBondContact O-CA 3.36Å; S267-F287 PolarHBondContact O-N 2.91Å; S267-Q467 WeakPolarHBondContact CB-O 3.14Å; S267-Q467 PolarHBondContact OG-O 3.01Å
268	R	98.4	Very high	95.2	Very high	25 Å²	25	65.6 Å²	65.6	9%	0.094	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	151.9	-179.9	71.9	-179.1	178.4	95.9	-12.6	111.3	P263 Y264 H270 D281 A285	P263-R268 HydrophobicContact CB-CB 4.01Å; P263-R268 HydrophobicContact CG-CB 4.36Å; Y264-R268 WeakPolarHBondContact O-CB 3.29Å; Y264-R268 PolarHBondContact O-N 3.2Å; R268-H270 PolarHBondContact NH1-ND1 2.95Å; R268-H270 PolarHBondContact NH2-CE1 2.76Å; R268-H270 VanDerWaalsContact NH2-CE1 3.32Å; R268-H270 PolarHBondContact O-CD2 2.96Å; R268-D281 IonicContact CZ-OD2 3.82Å; R268-D281 PolarHBondContact NH1-O 3.17Å; R268-D281 IonicContact NH1-OD2 3.35Å; R268-D281 PolarHBondContact NH1-OD2 3.34Å; R268-D281 IonicContact NH2-OD2 2.79Å; R268-D281 PolarHBondContact NH2-OD2 2.73Å; R268-A285 VanDerWaalsContact CA-O 3.31Å; R268-A285 WeakPolarHBondContact CA-O 3.5Å
269	V	98.6	Very high	94.9	Very high	0 Å²	0	63 Å²	63	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	130.1	165.6	-172.5	0	0	0	0	107.8	I283 A285 F287 I298 M314 Q318	V269-I283 HydrophobicContact CB-CG2 4.08Å; V269-I283 HydrophobicContact CG1-CG2 4.48Å; V269-A285 HydrophobicContact CB-CB 4.23Å; V269-A285 HydrophobicContact CG2-CB 3.84Å; V269-A285 PolarHBondContact N-O 2.77Å; V269-F287 HydrophobicContact CB-CE2 4.32Å; V269-F287 HydrophobicContact CB-CZ 4.4Å; V269-F287 HydrophobicContact CG1-CE2 4.44Å; V269-F287 HydrophobicContact CG1-CZ 4.11Å; V269-F287 HydrophobicContact CG2-CD1 4.49Å; V269-F287 HydrophobicContact CG2-CD2 4.24Å; V269-F287 HydrophobicContact CG2-CE1 4.26Å; V269-F287 HydrophobicContact CG2-CE2 4.01Å; V269-F287 HydrophobicContact CG2-CG 4.48Å; V269-F287 HydrophobicContact CG2-CZ 4.02Å; V269-I298 HydrophobicContact CG2-CB 4.46Å; V269-I298 HydrophobicContact CG2-CD1 4.01Å; V269-I298 HydrophobicContact CG2-CG1 3.91Å; V269-I298 HydrophobicContact CG2-CG2 3.73Å; V269-M314 HydrophobicContact CB-SD 4.23Å; V269-M314 HydrophobicContact CG1-CG 3.86Å; V269-M314 HydrophobicContact CG1-SD 4.09Å; V269-M314 HydrophobicContact CG2-SD 4.22Å; V269-Q318 HydrophobicContact CG1-CG 3.93Å
270	H	98.3	Very high	95	Very high	96 Å²	96	55.7 Å²	55.7	44%	0.444	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	135.2	170.8	-68.7	-109.6	0	0	0	108.7	R268 D281	R268-H270 PolarHBondContact NH1-ND1 2.95Å; R268-H270 PolarHBondContact NH2-CE1 2.76Å; R268-H270 VanDerWaalsContact NH2-CE1 3.32Å; R268-H270 PolarHBondContact O-CD2 2.96Å; H270-D281 IonicContact ND1-OD2 2.7Å
271	L	97.9	Very high	95.2	Very high	8 Å²	8	52.4 Å²	52.4	4%	0.042	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-97.2	157.7	166.5	-53.6	-176.9	0	0	0	109.8	S273 D281 I283 D310 M314	L271-S273 PolarHBondContact O-N 3.47Å; L271-D281 PolarHBondContact N-O 2.66Å; L271-D281 VanDerWaalsContact O-CA 3.32Å; L271-D281 WeakPolarHBondContact O-CA 3.3Å; L271-D281 WeakPolarHBondContact O-CB 2.92Å; L271-I283 HydrophobicContact CD1-CB 4.05Å; L271-I283 HydrophobicContact CD1-CG2 4.21Å; L271-I283 HydrophobicContact CD2-CG2 4.1Å; L271-I283 HydrophobicContact CG-CB 4.33Å; L271-I283 HydrophobicContact CG-CG2 3.97Å; L271-D310 HydrophobicContact CD1-CB 3.9Å; L271-M314 HydrophobicContact CD2-CB 3.75Å; L271-M314 HydrophobicContact CD2-CG 4.06Å
272	S	96	Very high	95.3	Very high	72 Å²	72	52.2 Å²	52.2	50%	0.503	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-66.6	125.3	174.9	-57.7	0	0	0	0	110	L274 R313 E317	S272-L274 PolarHBondContact O-N 3.23Å; S272-R313 PolarHBondContact O-NH1 3.09Å; S272-E317 VanDerWaalsContact CB-OE2 3.31Å; S272-E317 WeakPolarHBondContact CB-OE2 3.38Å; S272-E317 PolarHBondContact N-OE2 3.32Å; S272-E317 VanDerWaalsContact OG-CD 3.25Å; S272-E317 PolarHBondContact OG-OE2 3.29Å
273	S	94.5	Very high	95.3	Very high	98 Å²	98	51.5 Å²	51.5	69%	0.685	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-59.2	130.6	179.5	-53.6	0	0	0	0	111.4	L271	L271-S273 PolarHBondContact O-N 3.47Å
274	L	91.1	Very high	95.4	Very high	75 Å²	75	51.6 Å²	51.6	39%	0.393	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-88.3	133.1	175.2	-58.3	178.1	0	0	0	109.8	S272 G276 V277 S280	S272-L274 PolarHBondContact O-N 3.23Å; L274-G276 PolarHBondContact O-N 3.35Å; L274-V277 HydrophobicContact CB-CB 4.16Å; L274-V277 HydrophobicContact CB-CG2 4.25Å; L274-V277 PolarHBondContact O-N 3.06Å; L274-V277 VanDerWaalsContact O-N 3.16Å; L274-S280 PolarHBondContact N-OG 2.94Å
275	E	90.1	Very high	95.4	Very high	200 Å²	200	50.5 Å²	50.5	94%	0.935	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	133.7	179.2	-171.1	171.9	-168	0	0	111.1	V277	E275-V277 PolarHBondContact O-N 3.11Å
276	G	88.9	Confident	95.4	Very high	81 Å²	81	49 Å²	49	84%	0.835	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	-1.9	-177.5	0	0	0	0	0	116.2	L274	L274-G276 PolarHBondContact O-N 3.35Å
277	V	90.3	Very high	95.5	Very high	80 Å²	80	45.4 Å²	45.4	49%	0.485	27%	0.271	S	S	.	.			trans	-116.4	101.2	-179	-170.6	0	0	0	0	110.9	L274 E275 S280	L274-V277 HydrophobicContact CB-CB 4.16Å; L274-V277 HydrophobicContact CB-CG2 4.25Å; L274-V277 PolarHBondContact O-N 3.06Å; L274-V277 VanDerWaalsContact O-N 3.16Å; E275-V277 PolarHBondContact O-N 3.11Å; V277-S280 VanDerWaalsContact O-CB 3.31Å; V277-S280 WeakPolarHBondContact O-CB 3.4Å; V277-S280 PolarHBondContact O-OG 3.37Å
278	P	89.5	Confident	95.5	Very high	102 Å²	102	45 Å²	45	66%	0.662	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	146.5	174.1	-26	35.4	0	0	0	113	S280	P278-S280 PolarHBondContact O-N 3.37Å
279	D	90.3	Very high	95.5	Very high	26 Å²	26	46.1 Å²	46.1	14%	0.139	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	24.4	175.1	-80.5	-86.3	0	0	0	115.3	K249 E251 N252 K255 D281 F282	K249-D279 WeakPolarHBondContact CD-OD1 3.48Å; K249-D279 WeakPolarHBondContact CE-OD1 3.41Å; K249-D279 IonicContact NZ-OD1 2.64Å; K249-D279 PolarHBondContact NZ-OD1 2.89Å; K249-D279 IonicContact NZ-OD2 3.15Å; K249-D279 PolarHBondContact NZ-OD2 3.2Å; E251-D279 HydrophobicContact CB-CB 4.14Å; N252-D279 PolarHBondContact ND2-OD1 3.45Å; N252-D279 VanDerWaalsContact ND2-OD1 3.11Å; K255-D279 PolarHBondContact NZ-O 3.05Å; D279-D281 PolarHBondContact O-N 3.33Å; D279-F282 PolarHBondContact O-N 2.89Å
280	S	94.9	Very high	95.5	Very high	8 Å²	8	46.3 Å²	46.3	6%	0.056	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	1.1	174	53.1	0	0	0	0	113.9	L274 V277 P278 R313	L274-S280 PolarHBondContact N-OG 2.94Å; V277-S280 VanDerWaalsContact O-CB 3.31Å; V277-S280 WeakPolarHBondContact O-CB 3.4Å; V277-S280 PolarHBondContact O-OG 3.37Å; P278-S280 PolarHBondContact O-N 3.37Å; S280-R313 PolarHBondContact O-NH1 3.22Å; S280-R313 PolarHBondContact O-NH2 3.22Å
281	D	96.8	Very high	95.3	Very high	28 Å²	28	43.6 Å²	43.6	15%	0.15	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-11.1	171.9	79.4	-61.3	0	0	0	113.4	R268 H270 L271 D279	R268-D281 IonicContact CZ-OD2 3.82Å; R268-D281 PolarHBondContact NH1-O 3.17Å; R268-D281 IonicContact NH1-OD2 3.35Å; R268-D281 PolarHBondContact NH1-OD2 3.34Å; R268-D281 IonicContact NH2-OD2 2.79Å; R268-D281 PolarHBondContact NH2-OD2 2.73Å; H270-D281 IonicContact ND1-OD2 2.7Å; L271-D281 PolarHBondContact N-O 2.66Å; L271-D281 VanDerWaalsContact O-CA 3.32Å; L271-D281 WeakPolarHBondContact O-CA 3.3Å; L271-D281 WeakPolarHBondContact O-CB 2.92Å; D279-D281 PolarHBondContact O-N 3.33Å
282	F	98.3	Very high	95.1	Very high	1 Å²	1	50.4 Å²	50.4	0%	0.004	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	131.7	-173.5	-178.5	-95.2	0	0	0	113.9	A246 A247 N252 K255 P263 D279 N284	A246-F282 HydrophobicContact CB-CD2 4.38Å; A247-F282 VanDerWaalsContact CA-CE2 3.45Å; A247-F282 HydrophobicContact CB-CE2 3.59Å; A247-F282 HydrophobicContact CB-CZ 3.69Å; N252-F282 HydrophobicContact CB-CD1 3.72Å; N252-F282 HydrophobicContact CB-CE1 4.03Å; N252-F282 HydrophobicContact CB-CG 4.04Å; K255-F282 HydrophobicContact CB-CD1 4Å; K255-F282 HydrophobicContact CB-CE1 4.01Å; K255-F282 HydrophobicContact CD-CD1 3.84Å; P263-F282 HydrophobicContact CG-CE2 3.81Å; P263-F282 HydrophobicContact CG-CZ 4Å; D279-F282 PolarHBondContact O-N 2.89Å; F282-N284 HydrophobicContact CE1-CB 4.41Å; F282-N284 HydrophobicContact CZ-CB 4.31Å
283	I	98.6	Very high	95	Very high	10 Å²	10	52 Å²	52	5%	0.051	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	145.4	161.6	-172.7	166.1	0	0	0	109.8	V269 L271 A285 D310 M314	V269-I283 HydrophobicContact CB-CG2 4.08Å; V269-I283 HydrophobicContact CG1-CG2 4.48Å; L271-I283 HydrophobicContact CD1-CB 4.05Å; L271-I283 HydrophobicContact CD1-CG2 4.21Å; L271-I283 HydrophobicContact CD2-CG2 4.1Å; L271-I283 HydrophobicContact CG-CB 4.33Å; L271-I283 HydrophobicContact CG-CG2 3.97Å; I283-A285 HydrophobicContact CG2-CB 4.26Å; I283-A285 PolarHBondContact O-N 3.26Å; I283-D310 HydrophobicContact CD1-CB 4.26Å; I283-M314 HydrophobicContact CD1-CB 4.08Å; I283-M314 HydrophobicContact CD1-SD 3.97Å; I283-M314 HydrophobicContact CG2-SD 4.12Å
284	N	98.6	Very high	95.1	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	76.4	174.5	-169.8	-35.6	0	0	0	111.1	N256 I261 F282 Q301 R468	N256-N284 PolarHBondContact OD1-ND2 2.8Å; I261-N284 PolarHBondContact O-ND2 3.15Å; F282-N284 HydrophobicContact CE1-CB 4.41Å; F282-N284 HydrophobicContact CZ-CB 4.31Å; N284-Q301 HydrophobicContact CB-CG 4.1Å; N284-Q301 PolarHBondContact O-N 3.49Å; N284-Q301 VanDerWaalsContact O-N 3.07Å; N284-R468 PolarHBondContact OD1-NH1 2.96Å; N284-R468 PolarHBondContact OD1-NH2 2.82Å
285	A	98.8	Very high	95.4	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	156.5	173.9	0	0	0	0	0	110.6	R268 V269 I283 I298 A299 A300 M314	R268-A285 VanDerWaalsContact CA-O 3.31Å; R268-A285 WeakPolarHBondContact CA-O 3.5Å; V269-A285 HydrophobicContact CB-CB 4.23Å; V269-A285 HydrophobicContact CG2-CB 3.84Å; V269-A285 PolarHBondContact N-O 2.77Å; I283-A285 HydrophobicContact CG2-CB 4.26Å; I283-A285 PolarHBondContact O-N 3.26Å; A285-I298 HydrophobicContact CB-CG2 3.78Å; A285-A299 CarbonylContact C-O 3.41Å; A285-A299 WeakPolarHBondContact CA-O 3.48Å; A285-A300 HydrophobicContact CB-CB 3.73Å; A285-M314 HydrophobicContact CB-SD 3.7Å
286	S	98.9	Very high	95.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	140	-179.6	-44.3	0	0	0	0	111.4	P263 S267 I298 A299 R468	P263-S286 VanDerWaalsContact CB-OG 3.28Å; P263-S286 WeakPolarHBondContact CB-OG 3.2Å; S267-S286 CarbonylContact O-C 3.57Å; S267-S286 VanDerWaalsContact O-CA 3.27Å; S267-S286 WeakPolarHBondContact O-CA 3.36Å; S286-I298 CarbonylContact O-C 3.38Å; S286-I298 WeakPolarHBondContact O-CA 3.47Å; S286-A299 PolarHBondContact N-O 2.96Å; S286-A299 PolarHBondContact O-N 3.49Å; S286-R468 PolarHBondContact OG-NH1 3.48Å; S286-R468 VanDerWaalsContact OG-NH1 3.14Å
287	F	98.9	Very high	96.3	Very high	33 Å²	33	41.9 Å²	41.9	15%	0.145	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	131.7	171.4	-62.5	-77.9	0	0	0	110.6	S267 V269 N295 F297 I298 P424 Q467	S267-F287 PolarHBondContact O-N 2.91Å; V269-F287 HydrophobicContact CB-CE2 4.32Å; V269-F287 HydrophobicContact CB-CZ 4.4Å; V269-F287 HydrophobicContact CG1-CE2 4.44Å; V269-F287 HydrophobicContact CG1-CZ 4.11Å; V269-F287 HydrophobicContact CG2-CD1 4.49Å; V269-F287 HydrophobicContact CG2-CD2 4.24Å; V269-F287 HydrophobicContact CG2-CE1 4.26Å; V269-F287 HydrophobicContact CG2-CE2 4.01Å; V269-F287 HydrophobicContact CG2-CG 4.48Å; V269-F287 HydrophobicContact CG2-CZ 4.02Å; F287-N295 HydrophobicContact CB-CB 4.04Å; F287-N295 HydrophobicContact CD1-CB 4.01Å; F287-N295 HydrophobicContact CG-CB 4.28Å; F287-F297 CarbonylContact C-O 3.57Å; F287-F297 WeakPolarHBondContact CA-O 2.91Å; F287-I298 HydrophobicContact CD1-CD1 4.2Å; F287-I298 HydrophobicContact CD1-CG1 3.64Å; F287-I298 HydrophobicContact CE1-CD1 3.83Å; F287-I298 HydrophobicContact CE1-CG1 3.81Å; F287-P424 HydrophobicContact CD1-CG 4.38Å; F287-P424 HydrophobicContact CE1-CG 4.24Å; F287-Q467 PolarHBondContact O-NE2 3Å
288	I	98.8	Very high	96.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.7	178.2	-48.6	-63.3	0	0	0	109.1	N295 K296 F297 A299 I440 I464 Q467 R468 M471	I288-N295 CarbonylContact O-C 3.57Å; I288-N295 WeakPolarHBondContact O-CA 3.29Å; I288-K296 PolarHBondContact O-N 2.73Å; I288-F297 HydrophobicContact CB-CB 4.23Å; I288-F297 PolarHBondContact N-O 3.21Å; I288-F297 PolarHBondContact O-N 2.96Å; I288-F297 VanDerWaalsContact O-N 3.08Å; I288-A299 HydrophobicContact CD1-CB 4.04Å; I288-A299 HydrophobicContact CG1-CB 3.51Å; I288-I440 HydrophobicContact CB-CD1 4.37Å; I288-I440 HydrophobicContact CG1-CD1 4.33Å; I288-I440 HydrophobicContact CG2-CD1 4.45Å; I288-I440 HydrophobicContact CG2-CG2 3.96Å; I288-I464 HydrophobicContact CG2-CB 3.77Å; I288-I464 HydrophobicContact CG2-CG2 3.48Å; I288-I464 VanDerWaalsContact CG2-CG2 3.48Å; I288-Q467 HydrophobicContact CD1-CB 3.77Å; I288-R468 HydrophobicContact CD1-CB 3.7Å; I288-M471 HydrophobicContact CD1-CE 4.02Å; I288-M471 HydrophobicContact CG1-CE 4Å; I288-M471 HydrophobicContact CG2-CE 4.44Å
289	N	98.5	Very high	97.1	Very high	49 Å²	49	33.2 Å²	33.2	26%	0.262	16%	0.158	S	C	.	.			trans	-75.8	146.2	176.3	-61.3	-25.2	0	0	0	111.3	K294 N295 F460 Q467	N289-K294 WeakPolarHBondContact OD1-CA 3.33Å; N289-N295 PolarHBondContact OD1-N 2.71Å; N289-N295 PolarHBondContact OD1-OD1 2.66Å; N289-F460 WeakPolarHBondContact O-CZ 3.26Å; N289-Q467 VanDerWaalsContact CG-NE2 3.35Å; N289-Q467 VanDerWaalsContact CG-OE1 3.22Å; N289-Q467 PolarHBondContact ND2-NE2 3.49Å; N289-Q467 PolarHBondContact ND2-OE1 3.16Å; N289-Q467 PolarHBondContact OD1-NE2 3.34Å; N289-Q467 VanDerWaalsContact OD1-NE2 3.16Å
290	G	96.9	Very high	97.5	Very high	4 Å²	4	32 Å²	32	4%	0.041	15%	0.152	C	C	.	.			trans	-78.5	-166	158.4	0	0	0	0	0	111	E293	G290-E293 PolarHBondContact N-O 2.86Å
291	Y	95.5	Very high	97.7	Very high	39 Å²	39	32 Å²	32	15%	0.153	15%	0.151	C	C	.	.	S	Bend	trans	-66.9	-48.1	-179.6	166	-125.8	0	0	0	113.7	A444 D447 M448 A451 E452	Y291-A444 WeakPolarHBondContact CB-O 3.32Å; Y291-D447 HydrophobicContact CD1-CB 3.66Å; Y291-D447 HydrophobicContact CG-CB 4.24Å; Y291-M448 HydrophobicContact CD1-CB 4.27Å; Y291-M448 HydrophobicContact CD2-CB 3.83Å; Y291-M448 HydrophobicContact CD2-CG 4.15Å; Y291-M448 HydrophobicContact CE1-CB 4.14Å; Y291-M448 HydrophobicContact CE2-CB 3.71Å; Y291-M448 HydrophobicContact CE2-CG 3.57Å; Y291-M448 HydrophobicContact CE2-SD 4.18Å; Y291-M448 HydrophobicContact CG-CB 4.13Å; Y291-A451 HydrophobicContact CE1-CB 3.77Å; Y291-E452 WeakPolarHBondContact OH-CG 3.31Å; Y291-E452 PolarHBondContact OH-OE1 3.5Å
292	Q	92.9	Very high	97.8	Very high	152 Å²	152	30.7 Å²	30.7	71%	0.71	14%	0.144	S	C	*	.	S	Bend	trans	-118.2	-1.3	177.8	-72.4	178	3.1	0	0	113.5
293	E	94.6	Very high	97.8	Very high	104 Å²	104	30.7 Å²	30.7	49%	0.486	15%	0.145	S	C	.	.	S	Bend	trans	-117.9	124.6	-170.3	-174.3	-173.1	161.9	0	0	110.5	G290 K296	G290-E293 PolarHBondContact N-O 2.86Å; E293-K296 HydrophobicContact CB-CB 4.12Å; E293-K296 HydrophobicContact CB-CD 4.32Å; E293-K296 HydrophobicContact CG-CB 3.92Å; E293-K296 HydrophobicContact CG-CG 4.37Å; E293-K296 WeakPolarHBondContact OE2-CD 3.24Å; E293-K296 WeakPolarHBondContact OE2-CE 3.39Å; E293-K296 VanDerWaalsContact OE2-CG 3.25Å; E293-K296 WeakPolarHBondContact OE2-CG 3.18Å
294	K	96.6	Very high	97.8	Very high	146 Å²	146	32 Å²	32	64%	0.635	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	139.1	176.4	-70.3	-175.6	178.3	-179.4	0	110.3	N289 K296	N289-K294 WeakPolarHBondContact OD1-CA 3.33Å; K294-K296 PolarHBondContact O-N 3.04Å; K294-K296 VanDerWaalsContact O-N 3.11Å
295	N	97.3	Very high	97.7	Very high	70 Å²	70	37.7 Å²	37.7	37%	0.374	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	20.9	177.5	-58.7	1.1	0	0	0	115.6	F287 I288 N289 F297 P424	F287-N295 HydrophobicContact CB-CB 4.04Å; F287-N295 HydrophobicContact CD1-CB 4.01Å; F287-N295 HydrophobicContact CG-CB 4.28Å; I288-N295 CarbonylContact O-C 3.57Å; I288-N295 WeakPolarHBondContact O-CA 3.29Å; N289-N295 PolarHBondContact OD1-N 2.71Å; N289-N295 PolarHBondContact OD1-OD1 2.66Å; N295-F297 PolarHBondContact O-N 3.36Å; N295-P424 WeakPolarHBondContact O-CB 3.47Å; N295-P424 VanDerWaalsContact O-CG 3.28Å; N295-P424 WeakPolarHBondContact O-CG 3.36Å
296	K	98.3	Very high	97.6	Very high	24 Å²	24	42.7 Å²	42.7	10%	0.104	20%	0.2	C	C	.	.			trans	-45.9	-34.9	175.3	-175	175.7	-170.4	-166	0	113.4	I288 E293 K294 P424 I425 D443 D447	I288-K296 PolarHBondContact O-N 2.73Å; E293-K296 HydrophobicContact CB-CB 4.12Å; E293-K296 HydrophobicContact CB-CD 4.32Å; E293-K296 HydrophobicContact CG-CB 3.92Å; E293-K296 HydrophobicContact CG-CG 4.37Å; E293-K296 WeakPolarHBondContact OE2-CD 3.24Å; E293-K296 WeakPolarHBondContact OE2-CE 3.39Å; E293-K296 VanDerWaalsContact OE2-CG 3.25Å; E293-K296 WeakPolarHBondContact OE2-CG 3.18Å; K294-K296 PolarHBondContact O-N 3.04Å; K294-K296 VanDerWaalsContact O-N 3.11Å; K296-P424 WeakPolarHBondContact O-CA 3.43Å; K296-I425 PolarHBondContact O-N 3.14Å; K296-D443 IonicContact NZ-OD1 2.77Å; K296-D443 PolarHBondContact NZ-OD1 2.9Å; K296-D443 IonicContact NZ-OD2 3.61Å; K296-D443 PolarHBondContact NZ-OD2 2.96Å; K296-D447 IonicContact NZ-OD2 2.93Å; K296-D447 PolarHBondContact NZ-OD2 3.2Å
297	F	98.8	Very high	97.5	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.009	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	153.9	-176.9	-62.4	-72	0	0	0	112.5	F287 I288 N295 I425 V427 F439 I440 D443	F287-F297 CarbonylContact C-O 3.57Å; F287-F297 WeakPolarHBondContact CA-O 2.91Å; I288-F297 HydrophobicContact CB-CB 4.23Å; I288-F297 PolarHBondContact N-O 3.21Å; I288-F297 PolarHBondContact O-N 2.96Å; I288-F297 VanDerWaalsContact O-N 3.08Å; N295-F297 PolarHBondContact O-N 3.36Å; F297-I425 CarbonylContact C-O 3.57Å; F297-I425 VanDerWaalsContact CA-O 3.3Å; F297-I425 WeakPolarHBondContact CA-O 3.18Å; F297-I425 HydrophobicContact CD1-CB 3.76Å; F297-I425 HydrophobicContact CD1-CG2 4.11Å; F297-I425 HydrophobicContact CE1-CB 3.99Å; F297-I425 HydrophobicContact CE1-CD1 4.1Å; F297-I425 HydrophobicContact CE1-CG2 4.16Å; F297-V427 HydrophobicContact CD1-CG2 3.6Å; F297-V427 HydrophobicContact CE1-CG2 4.17Å; F297-V427 HydrophobicContact CG-CG2 4.41Å; F297-F439 HydrophobicContact CE1-CE1 4.11Å; F297-I440 HydrophobicContact CB-CD1 3.86Å; F297-I440 HydrophobicContact CB-CG1 4.23Å; F297-I440 HydrophobicContact CD1-CG1 4.17Å; F297-I440 HydrophobicContact CD2-CB 4.3Å; F297-I440 HydrophobicContact CD2-CD1 4.38Å; F297-I440 HydrophobicContact CD2-CG1 3.92Å; F297-I440 HydrophobicContact CD2-CG2 3.65Å; F297-I440 HydrophobicContact CE2-CB 4.43Å; F297-I440 HydrophobicContact CE2-CG1 4.29Å; F297-I440 HydrophobicContact CE2-CG2 3.92Å; F297-I440 HydrophobicContact CG-CD1 4.06Å; F297-I440 HydrophobicContact CG-CG1 3.85Å; F297-I440 HydrophobicContact CG-CG2 4.38Å; F297-D443 VanDerWaalsContact CE2-OD2 3.32Å; F297-D443 WeakPolarHBondContact CE2-OD2 3.48Å; F297-D443 HydrophobicContact CZ-CB 4.11Å; F297-D443 VanDerWaalsContact CZ-OD2 3.24Å; F297-D443 WeakPolarHBondContact CZ-OD2 3.39Å
298	I	98.9	Very high	97.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	117.9	159.3	-72.5	165.2	0	0	0	107.6	V269 A285 S286 F287 A300 M314 Q318 P424 I425 V426 V427	V269-I298 HydrophobicContact CG2-CB 4.46Å; V269-I298 HydrophobicContact CG2-CD1 4.01Å; V269-I298 HydrophobicContact CG2-CG1 3.91Å; V269-I298 HydrophobicContact CG2-CG2 3.73Å; A285-I298 HydrophobicContact CB-CG2 3.78Å; S286-I298 CarbonylContact O-C 3.38Å; S286-I298 WeakPolarHBondContact O-CA 3.47Å; F287-I298 HydrophobicContact CD1-CD1 4.2Å; F287-I298 HydrophobicContact CD1-CG1 3.64Å; F287-I298 HydrophobicContact CE1-CD1 3.83Å; F287-I298 HydrophobicContact CE1-CG1 3.81Å; I298-A300 HydrophobicContact CG2-CB 4.36Å; I298-M314 HydrophobicContact CG2-CE 4.12Å; I298-M314 HydrophobicContact CG2-SD 3.97Å; I298-Q318 HydrophobicContact CD1-CB 4.05Å; I298-Q318 HydrophobicContact CD1-CG 3.88Å; I298-P424 HydrophobicContact CD1-CB 3.88Å; I298-P424 HydrophobicContact CD1-CG 4.32Å; I298-P424 HydrophobicContact CG1-CB 3.82Å; I298-P424 HydrophobicContact CG1-CG 4.47Å; I298-I425 PolarHBondContact N-O 2.88Å; I298-V426 HydrophobicContact CB-CG2 3.89Å; I298-V426 HydrophobicContact CD1-CG2 4.02Å; I298-V426 HydrophobicContact CG2-CG2 4.17Å; I298-V427 PolarHBondContact O-N 2.95Å
299	A	98.9	Very high	97.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	107	170.2	0	0	0	0	0	109.6	A285 S286 I288 V427 T436 I440 M471	A285-A299 CarbonylContact C-O 3.41Å; A285-A299 WeakPolarHBondContact CA-O 3.48Å; S286-A299 PolarHBondContact N-O 2.96Å; S286-A299 PolarHBondContact O-N 3.49Å; I288-A299 HydrophobicContact CD1-CB 4.04Å; I288-A299 HydrophobicContact CG1-CB 3.51Å; A299-V427 WeakPolarHBondContact CA-O 3.36Å; A299-T436 HydrophobicContact CB-CG2 3.67Å; A299-I440 HydrophobicContact CB-CD1 4.34Å; A299-M471 HydrophobicContact CB-CE 3.98Å; A299-M471 HydrophobicContact CB-SD 4.26Å
300	A	98.8	Very high	97.5	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	152.8	-177.2	0	0	0	0	0	112	A285 I298 F311 M314 V426 V427 H428 G432	A285-A300 HydrophobicContact CB-CB 3.73Å; I298-A300 HydrophobicContact CG2-CB 4.36Å; A300-F311 HydrophobicContact CB-CE2 4.24Å; A300-M314 HydrophobicContact CB-CE 4.23Å; A300-V426 HydrophobicContact CB-CG1 4.32Å; A300-V427 PolarHBondContact N-O 3.03Å; A300-H428 HydrophobicContact CB-CB 4.29Å; A300-H428 WeakPolarHBondContact O-CA 3.36Å; A300-H428 WeakPolarHBondContact O-CB 3.44Å; A300-G432 WeakPolarHBondContact O-CA 3.39Å
301	Q	98.4	Very high	97.6	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.037	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-64.7	157.9	162.4	75.6	177.4	9.1	0	0	110.7	K255 N284	K255-Q301 PolarHBondContact O-NE2 2.64Å; N284-Q301 HydrophobicContact CB-CG 4.1Å; N284-Q301 PolarHBondContact O-N 3.49Å; N284-Q301 VanDerWaalsContact O-N 3.07Å
302	G	98.4	Very high	97.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-69.9	122.5	163.3	0	0	0	0	0	109	R257 K304 H428 C429 S430	R257-G302 PolarHBondContact NE-O 2.99Å; G302-K304 PolarHBondContact O-N 2.68Å; G302-H428 WeakPolarHBondContact CA-ND1 3.5Å; G302-C429 WeakPolarHBondContact CA-O 3.5Å; G302-C429 PolarHBondContact N-O 3.12Å; G302-S430 PolarHBondContact N-O 3.45Å
303	P	98.4	Very high	98	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.013	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-53	141.6	-173.6	18	-31.9	0	0	0	112.2	R257 V308 F311 A338 Y340	R257-P303 PolarHBondContact NH2-O 2.93Å; P303-V308 HydrophobicContact CB-CG2 4.18Å; P303-F311 HydrophobicContact CB-CB 4.18Å; P303-F311 HydrophobicContact CB-CG 4.41Å; P303-F311 HydrophobicContact CG-CB 4.31Å; P303-F311 HydrophobicContact CG-CD1 4.38Å; P303-F311 HydrophobicContact CG-CD2 4.26Å; P303-F311 HydrophobicContact CG-CG 4.07Å; P303-A338 WeakPolarHBondContact O-CB 3.01Å; P303-A338 PolarHBondContact O-N 3.32Å; P303-Y340 HydrophobicContact CG-CD1 3.67Å; P303-Y340 HydrophobicContact CG-CE1 4.42Å; P303-Y340 HydrophobicContact CG-CG 4.14Å
304	K	97.8	Very high	98.2	Very high	36 Å²	36	30.7 Å²	30.7	16%	0.157	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-76.7	160.5	156.2	-44.6	172.5	79.7	-157.7	0	108.1	E254 R257 G302 E306 T307 V308	E254-K304 WeakPolarHBondContact O-CD 3.43Å; E254-K304 WeakPolarHBondContact O-CE 3.49Å; E254-K304 PolarHBondContact O-NZ 3.04Å; E254-K304 IonicContact OE2-NZ 3.61Å; E254-K304 PolarHBondContact OE2-NZ 3.26Å; R257-K304 HydrophobicContact CB-CG 4.23Å; G302-K304 PolarHBondContact O-N 2.68Å; K304-E306 VanDerWaalsContact C-N 3.28Å; K304-E306 VanDerWaalsContact CB-CD 3.45Å; K304-E306 HydrophobicContact CB-CG 4.13Å; K304-E306 WeakPolarHBondContact CB-OE2 3.45Å; K304-E306 WeakPolarHBondContact CE-OE1 3.49Å; K304-E306 IonicContact NZ-OE1 2.71Å; K304-E306 PolarHBondContact NZ-OE1 3.49Å; K304-E306 PolarHBondContact O-N 2.83Å; K304-T307 PolarHBondContact N-OG1 3.49Å; K304-T307 CarbonylContact O-C 3.51Å; K304-T307 WeakPolarHBondContact O-CA 3.27Å; K304-T307 PolarHBondContact O-N 2.82Å; K304-T307 PolarHBondContact O-OG1 3.2Å; K304-V308 PolarHBondContact O-N 3.5Å
305	E	97.1	Very high	98.3	Very high	121 Å²	121	23.8 Å²	23.8	57%	0.565	12%	0.116	S	C	*	.	G	3₁₀ helix	trans	-53.8	-45.9	-176.7	-54.4	-58.3	153.5	0	0	111.7	T307 V308 A338	E305-T307 PolarHBondContact O-N 3.08Å; E305-T307 VanDerWaalsContact O-N 3.16Å; E305-V308 WeakPolarHBondContact O-CG2 3.24Å; E305-V308 PolarHBondContact O-N 3.43Å; E305-A338 VanDerWaalsContact CD-CB 3.44Å; E305-A338 HydrophobicContact CG-CB 4.37Å; E305-A338 WeakPolarHBondContact OE1-CA 3.46Å; E305-A338 WeakPolarHBondContact OE1-CB 3.3Å
306	E	96.3	Very high	98.3	Very high	105 Å²	105	21.1 Å²	21.1	49%	0.491	10%	0.101	S	C	.	.	G	3₁₀ helix	trans	-63.5	-14.7	176.4	61.8	-91.2	-132.4	0	0	114.7	K304	K304-E306 VanDerWaalsContact C-N 3.28Å; K304-E306 VanDerWaalsContact CB-CD 3.45Å; K304-E306 HydrophobicContact CB-CG 4.13Å; K304-E306 WeakPolarHBondContact CB-OE2 3.45Å; K304-E306 WeakPolarHBondContact CE-OE1 3.49Å; K304-E306 IonicContact NZ-OE1 2.71Å; K304-E306 PolarHBondContact NZ-OE1 3.49Å; K304-E306 PolarHBondContact O-N 2.83Å
307	T	98.1	Very high	98.2	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.031	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-111.5	2.7	179.1	57.6	0	0	0	0	114.1	K255 K304 E305 N309 D310 F311	K255-T307 HydrophobicContact CB-CG2 4.06Å; K255-T307 HydrophobicContact CG-CG2 4.23Å; K304-T307 PolarHBondContact N-OG1 3.49Å; K304-T307 CarbonylContact O-C 3.51Å; K304-T307 WeakPolarHBondContact O-CA 3.27Å; K304-T307 PolarHBondContact O-N 2.82Å; K304-T307 PolarHBondContact O-OG1 3.2Å; E305-T307 PolarHBondContact O-N 3.08Å; E305-T307 VanDerWaalsContact O-N 3.16Å; T307-N309 PolarHBondContact O-N 2.83Å; T307-D310 PolarHBondContact O-N 3.24Å; T307-F311 PolarHBondContact O-N 3.3Å
308	V	98.6	Very high	98.2	Very high	7 Å²	7	24.7 Å²	24.7	4%	0.042	12%	0.118	C	C	.	.	H	α-helix	trans	-60.4	-36.9	178.6	172.7	0	0	0	0	111.6	P303 K304 E305 F311 W312 A338 Y349	P303-V308 HydrophobicContact CB-CG2 4.18Å; K304-V308 PolarHBondContact O-N 3.5Å; E305-V308 WeakPolarHBondContact O-CG2 3.24Å; E305-V308 PolarHBondContact O-N 3.43Å; V308-F311 PolarHBondContact O-N 2.91Å; V308-W312 PolarHBondContact O-N 2.83Å; V308-W312 VanDerWaalsContact O-N 3.12Å; V308-A338 HydrophobicContact CG2-CB 3.97Å; V308-Y349 HydrophobicContact CG1-CD1 3.36Å; V308-Y349 HydrophobicContact CG1-CE1 3.62Å; V308-Y349 HydrophobicContact CG1-CG 3.98Å
309	N	98.1	Very high	98.1	Very high	75 Å²	75	27.7 Å²	27.7	40%	0.401	13%	0.134	S	C	.	.	H	α-helix	trans	-64.6	-45.3	176.7	-63	-23.8	0	0	0	111.7	T307 F311 W312 R313 Y349 G350	T307-N309 PolarHBondContact O-N 2.83Å; N309-F311 VanDerWaalsContact C-N 3.33Å; N309-F311 PolarHBondContact O-N 3.4Å; N309-W312 PolarHBondContact O-N 2.95Å; N309-R313 VanDerWaalsContact O-CB 3.31Å; N309-R313 WeakPolarHBondContact O-CB 3.45Å; N309-R313 PolarHBondContact O-N 3.13Å; N309-Y349 VanDerWaalsContact OD1-C 3.28Å; N309-Y349 VanDerWaalsContact OD1-CA 3.28Å; N309-Y349 WeakPolarHBondContact OD1-CA 3.49Å; N309-Y349 WeakPolarHBondContact OD1-CB 3.12Å; N309-G350 PolarHBondContact OD1-N 2.79Å
310	D	98.4	Very high	98.1	Very high	27 Å²	27	27.9 Å²	27.9	14%	0.144	14%	0.135	C	C	.	.	H	α-helix	trans	-67.2	-34.4	177.4	-68.6	-37.4	0	0	0	112.1	L271 I283 T307 R313 M314	L271-D310 HydrophobicContact CD1-CB 3.9Å; I283-D310 HydrophobicContact CD1-CB 4.26Å; T307-D310 PolarHBondContact O-N 3.24Å; D310-R313 PolarHBondContact O-N 3.28Å; D310-R313 IonicContact OD1-CZ 2.73Å; D310-R313 IonicContact OD1-NE 2.77Å; D310-R313 PolarHBondContact OD1-NE 2.84Å; D310-R313 IonicContact OD1-NH2 3.21Å; D310-R313 PolarHBondContact OD1-NH2 3.45Å; D310-M314 WeakPolarHBondContact O-CB 3.13Å; D310-M314 PolarHBondContact O-N 3.2Å
311	F	98.8	Very high	98.1	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.018	14%	0.14	C	C	.	.	H	α-helix	trans	-62.8	-49.1	174.4	-172.4	-95.9	0	0	0	111.6	A300 P303 T307 V308 N309 R313 M314 I315 I323 Y340 V426	A300-F311 HydrophobicContact CB-CE2 4.24Å; P303-F311 HydrophobicContact CB-CB 4.18Å; P303-F311 HydrophobicContact CB-CG 4.41Å; P303-F311 HydrophobicContact CG-CB 4.31Å; P303-F311 HydrophobicContact CG-CD1 4.38Å; P303-F311 HydrophobicContact CG-CD2 4.26Å; P303-F311 HydrophobicContact CG-CG 4.07Å; T307-F311 PolarHBondContact O-N 3.3Å; V308-F311 PolarHBondContact O-N 2.91Å; N309-F311 VanDerWaalsContact C-N 3.33Å; N309-F311 PolarHBondContact O-N 3.4Å; F311-R313 VanDerWaalsContact C-N 3.34Å; F311-R313 PolarHBondContact O-N 3.3Å; F311-M314 HydrophobicContact CD2-CE 4.08Å; F311-M314 HydrophobicContact CE2-CE 4.03Å; F311-M314 VanDerWaalsContact O-CB 3.28Å; F311-M314 WeakPolarHBondContact O-CB 3.4Å; F311-M314 PolarHBondContact O-N 2.87Å; F311-I315 HydrophobicContact CD1-CG1 4.39Å; F311-I315 HydrophobicContact CE1-CD1 4.17Å; F311-I315 HydrophobicContact CE1-CG1 4.23Å; F311-I315 HydrophobicContact CZ-CD1 4.3Å; F311-I315 WeakPolarHBondContact O-CG1 3.44Å; F311-I315 PolarHBondContact O-N 2.91Å; F311-I323 HydrophobicContact CE1-CD1 4.41Å; F311-I323 HydrophobicContact CZ-CG2 4.29Å; F311-Y340 HydrophobicContact CD1-CD2 4.11Å; F311-Y340 HydrophobicContact CD1-CE2 4.4Å; F311-Y340 HydrophobicContact CD1-CG 4.32Å; F311-Y340 AromaticContact CE1-CD2 3.87Å; F311-Y340 HydrophobicContact CE1-CD2 3.87Å; F311-Y340 HydrophobicContact CE1-CE1 4.4Å; F311-Y340 AromaticContact CE1-CE2 3.7Å; F311-Y340 HydrophobicContact CE1-CE2 3.7Å; F311-Y340 HydrophobicContact CE1-CG 4.3Å; F311-Y340 AromaticContact CE1-CZ 3.96Å; F311-V426 HydrophobicContact CE2-CG1 3.99Å; F311-V426 HydrophobicContact CZ-CG1 3.91Å
312	W	98.6	Very high	98.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.9	-34.2	175.8	-80.3	112.6	0	0	0	113.6	V308 N309 M314 I315 W316 I323 Y340 Y349 I352 V354 F370 I372	V308-W312 PolarHBondContact O-N 2.83Å; V308-W312 VanDerWaalsContact O-N 3.12Å; N309-W312 PolarHBondContact O-N 2.95Å; W312-M314 VanDerWaalsContact C-N 3.32Å; W312-I315 HydrophobicContact CE3-CB 4.05Å; W312-I315 HydrophobicContact CE3-CG1 3.99Å; W312-I315 HydrophobicContact CE3-CG2 4.2Å; W312-I315 HydrophobicContact CZ3-CB 4.45Å; W312-I315 HydrophobicContact CZ3-CG1 4.31Å; W312-I315 HydrophobicContact CZ3-CG2 4.14Å; W312-I315 PolarHBondContact O-N 3.39Å; W312-W316 PolarHBondContact O-N 2.95Å; W312-I323 HydrophobicContact CH2-CD1 4.13Å; W312-I323 HydrophobicContact CZ3-CD1 4.14Å; W312-Y340 AromaticContact CZ2-CD2 3.87Å; W312-Y340 HydrophobicContact CZ2-CD2 3.87Å; W312-Y340 HydrophobicContact CZ2-CE2 4.37Å; W312-Y340 PolarHBondContact NE1-O 2.96Å; W312-Y349 AromaticContact CD1-CD2 3.34Å; W312-Y349 AromaticContact CD1-CG 3.53Å; W312-Y349 HydrophobicContact CG-CD2 4.13Å; W312-Y349 HydrophobicContact CG-CG 4.43Å; W312-Y349 AromaticContact NE1-CD2 3.38Å; W312-Y349 AromaticContact NE1-CE2 3.56Å; W312-Y349 AromaticContact NE1-CG 3.95Å; W312-I352 HydrophobicContact CB-CB 4.11Å; W312-I352 HydrophobicContact CB-CG1 4.28Å; W312-I352 HydrophobicContact CB-CG2 4.28Å; W312-V354 HydrophobicContact CD2-CG2 3.72Å; W312-V354 HydrophobicContact CE3-CG2 3.94Å; W312-V354 HydrophobicContact CG-CG2 4.23Å; W312-V354 HydrophobicContact CH2-CG1 3.94Å; W312-V354 HydrophobicContact CH2-CG2 4.18Å; W312-V354 HydrophobicContact CZ2-CG1 3.82Å; W312-V354 HydrophobicContact CZ2-CG2 3.97Å; W312-V354 HydrophobicContact CZ3-CG2 4.17Å; W312-F370 HydrophobicContact CH2-CD2 4.19Å; W312-I372 HydrophobicContact CE3-CG2 4.39Å; W312-I372 HydrophobicContact CH2-CG2 4.37Å; W312-I372 HydrophobicContact CZ3-CD1 4.5Å; W312-I372 HydrophobicContact CZ3-CG2 3.82Å
313	R	98.1	Very high	98.1	Very high	12 Å²	12	28.1 Å²	28.1	5%	0.045	14%	0.139	C	C	.	.	H	α-helix	trans	-60.4	-42	171.1	-175.6	158.8	66.2	105	-5.2	111.3	S272 S280 N309 D310 F311 W316 E317	S272-R313 PolarHBondContact O-NH1 3.09Å; S280-R313 PolarHBondContact O-NH1 3.22Å; S280-R313 PolarHBondContact O-NH2 3.22Å; N309-R313 VanDerWaalsContact O-CB 3.31Å; N309-R313 WeakPolarHBondContact O-CB 3.45Å; N309-R313 PolarHBondContact O-N 3.13Å; D310-R313 PolarHBondContact O-N 3.28Å; D310-R313 IonicContact OD1-CZ 2.73Å; D310-R313 IonicContact OD1-NE 2.77Å; D310-R313 PolarHBondContact OD1-NE 2.84Å; D310-R313 IonicContact OD1-NH2 3.21Å; D310-R313 PolarHBondContact OD1-NH2 3.45Å; F311-R313 VanDerWaalsContact C-N 3.34Å; F311-R313 PolarHBondContact O-N 3.3Å; R313-W316 PolarHBondContact O-N 3.16Å; R313-E317 WeakPolarHBondContact CD-OE1 3.3Å; R313-E317 HydrophobicContact CG-CG 4.37Å; R313-E317 WeakPolarHBondContact CG-OE1 3.27Å; R313-E317 IonicContact NH1-OE1 2.74Å; R313-E317 WeakPolarHBondContact O-CB 3.39Å; R313-E317 WeakPolarHBondContact O-CG 3.39Å; R313-E317 PolarHBondContact O-N 3.2Å
314	M	98.7	Very high	98.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.1	-49.4	171.5	-167.9	-173.5	63.7	0	0	112.3	V269 L271 I283 A285 I298 A300 D310 F311 W312 W316 E317 Q318 V426	V269-M314 HydrophobicContact CB-SD 4.23Å; V269-M314 HydrophobicContact CG1-CG 3.86Å; V269-M314 HydrophobicContact CG1-SD 4.09Å; V269-M314 HydrophobicContact CG2-SD 4.22Å; L271-M314 HydrophobicContact CD2-CB 3.75Å; L271-M314 HydrophobicContact CD2-CG 4.06Å; I283-M314 HydrophobicContact CD1-CB 4.08Å; I283-M314 HydrophobicContact CD1-SD 3.97Å; I283-M314 HydrophobicContact CG2-SD 4.12Å; A285-M314 HydrophobicContact CB-SD 3.7Å; I298-M314 HydrophobicContact CG2-CE 4.12Å; I298-M314 HydrophobicContact CG2-SD 3.97Å; A300-M314 HydrophobicContact CB-CE 4.23Å; D310-M314 WeakPolarHBondContact O-CB 3.13Å; D310-M314 PolarHBondContact O-N 3.2Å; F311-M314 HydrophobicContact CD2-CE 4.08Å; F311-M314 HydrophobicContact CE2-CE 4.03Å; F311-M314 VanDerWaalsContact O-CB 3.28Å; F311-M314 WeakPolarHBondContact O-CB 3.4Å; F311-M314 PolarHBondContact O-N 2.87Å; W312-M314 VanDerWaalsContact C-N 3.32Å; M314-W316 PolarHBondContact O-N 2.99Å; M314-E317 PolarHBondContact O-N 3.1Å; M314-Q318 HydrophobicContact CG-CG 4.04Å; M314-Q318 VanDerWaalsContact O-CB 3.28Å; M314-Q318 WeakPolarHBondContact O-CB 3.15Å; M314-Q318 VanDerWaalsContact O-CG 3.3Å; M314-Q318 WeakPolarHBondContact O-CG 3.38Å; M314-Q318 PolarHBondContact O-N 2.72Å; M314-V426 HydrophobicContact CE-CB 4.49Å; M314-V426 HydrophobicContact CE-CG1 3.74Å; M314-V426 HydrophobicContact CE-CG2 3.85Å
315	I	98.7	Very high	98.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-55.2	-43.5	177.7	-59.1	-49	0	0	0	110.9	F311 W312 N319 T320 I323 I372 V387 V426	F311-I315 HydrophobicContact CD1-CG1 4.39Å; F311-I315 HydrophobicContact CE1-CD1 4.17Å; F311-I315 HydrophobicContact CE1-CG1 4.23Å; F311-I315 HydrophobicContact CZ-CD1 4.3Å; F311-I315 WeakPolarHBondContact O-CG1 3.44Å; F311-I315 PolarHBondContact O-N 2.91Å; W312-I315 HydrophobicContact CE3-CB 4.05Å; W312-I315 HydrophobicContact CE3-CG1 3.99Å; W312-I315 HydrophobicContact CE3-CG2 4.2Å; W312-I315 HydrophobicContact CZ3-CB 4.45Å; W312-I315 HydrophobicContact CZ3-CG1 4.31Å; W312-I315 HydrophobicContact CZ3-CG2 4.14Å; W312-I315 PolarHBondContact O-N 3.39Å; I315-N319 PolarHBondContact O-N 2.84Å; I315-T320 HydrophobicContact CD1-CG2 4.17Å; I315-T320 PolarHBondContact O-N 3.32Å; I315-I323 HydrophobicContact CD1-CD1 3.79Å; I315-I323 HydrophobicContact CD1-CG1 3.87Å; I315-I323 HydrophobicContact CG1-CD1 3.88Å; I315-I323 HydrophobicContact CG1-CG1 4.47Å; I315-I323 HydrophobicContact CG2-CD1 4.43Å; I315-I372 HydrophobicContact CG2-CD1 3.98Å; I315-V387 HydrophobicContact CG2-CG1 4.37Å; I315-V387 HydrophobicContact CG2-CG2 4.18Å; I315-V426 HydrophobicContact CD1-CB 3.99Å; I315-V426 HydrophobicContact CD1-CG1 4.06Å; I315-V426 HydrophobicContact CD1-CG2 3.78Å
316	W	97.8	Very high	98.2	Very high	14 Å²	14	20.5 Å²	20.5	5%	0.053	10%	0.104	C	C	.	.	H	α-helix	trans	-71.7	-47.9	-179	-177.7	-97.3	0	0	0	113.2	W312 R313 M314 N319 I352 I372 Q374 K382 P383 R385	W312-W316 PolarHBondContact O-N 2.95Å; R313-W316 PolarHBondContact O-N 3.16Å; M314-W316 PolarHBondContact O-N 2.99Å; W316-N319 PolarHBondContact O-N 3.46Å; W316-I352 HydrophobicContact CB-CD1 3.63Å; W316-I352 HydrophobicContact CB-CG1 4.25Å; W316-I352 HydrophobicContact CD2-CD1 4.05Å; W316-I352 HydrophobicContact CG-CD1 3.58Å; W316-I372 HydrophobicContact CE3-CD1 3.89Å; W316-I372 HydrophobicContact CE3-CG1 4.06Å; W316-I372 HydrophobicContact CZ3-CG1 4.22Å; W316-Q374 HydrophobicContact CD2-CB 4.07Å; W316-Q374 VanDerWaalsContact CE2-CB 3.43Å; W316-Q374 HydrophobicContact CH2-CB 4.14Å; W316-Q374 HydrophobicContact CZ2-CB 3.48Å; W316-Q374 VanDerWaalsContact CZ2-CB 3.48Å; W316-K382 HydrophobicContact CH2-CB 4.22Å; W316-K382 HydrophobicContact CZ2-CB 3.88Å; W316-K382 HydrophobicContact CZ2-CD 4.13Å; W316-P383 WeakPolarHBondContact CH2-O 3.46Å; W316-R385 HydrophobicContact CH2-CG 4.46Å; W316-R385 HydrophobicContact CZ3-CG 3.96Å; W316-R385 PolarHBondContact O-NH1 3.22Å
317	E	97.6	Very high	98.2	Very high	58 Å²	58	15.6 Å²	15.6	27%	0.271	8%	0.081	S	C	.	.	H	α-helix	trans	-68.2	-37.9	-178.2	-70.8	-177.3	-148.4	0	0	112.2	S272 R313 M314 N319	S272-E317 VanDerWaalsContact CB-OE2 3.31Å; S272-E317 WeakPolarHBondContact CB-OE2 3.38Å; S272-E317 PolarHBondContact N-OE2 3.32Å; S272-E317 VanDerWaalsContact OG-CD 3.25Å; S272-E317 PolarHBondContact OG-OE2 3.29Å; R313-E317 WeakPolarHBondContact CD-OE1 3.3Å; R313-E317 HydrophobicContact CG-CG 4.37Å; R313-E317 WeakPolarHBondContact CG-OE1 3.27Å; R313-E317 IonicContact NH1-OE1 2.74Å; R313-E317 WeakPolarHBondContact O-CB 3.39Å; R313-E317 WeakPolarHBondContact O-CG 3.39Å; R313-E317 PolarHBondContact O-N 3.2Å; M314-E317 PolarHBondContact O-N 3.1Å; E317-N319 VanDerWaalsContact C-N 3.26Å; E317-N319 PolarHBondContact O-N 3.45Å
318	Q	98.2	Very high	98.2	Very high	43 Å²	43	17.3 Å²	17.3	20%	0.201	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	4.5	179.2	-57.7	-59.6	-44.1	0	0	113.8	V269 I298 M314 T320 G423	V269-Q318 HydrophobicContact CG1-CG 3.93Å; I298-Q318 HydrophobicContact CD1-CB 4.05Å; I298-Q318 HydrophobicContact CD1-CG 3.88Å; M314-Q318 HydrophobicContact CG-CG 4.04Å; M314-Q318 VanDerWaalsContact O-CB 3.28Å; M314-Q318 WeakPolarHBondContact O-CB 3.15Å; M314-Q318 VanDerWaalsContact O-CG 3.3Å; M314-Q318 WeakPolarHBondContact O-CG 3.38Å; M314-Q318 PolarHBondContact O-N 2.72Å; Q318-T320 PolarHBondContact O-N 3.02Å; Q318-G423 WeakPolarHBondContact O-CA 3.17Å
319	N	97.4	Very high	98	Very high	63 Å²	63	18.9 Å²	18.9	34%	0.337	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	32.2	-177.5	-163.8	53.7	0	0	0	114.1	I315 W316 E317 A321 R385 Y421 G423	I315-N319 PolarHBondContact O-N 2.84Å; W316-N319 PolarHBondContact O-N 3.46Å; E317-N319 VanDerWaalsContact C-N 3.26Å; E317-N319 PolarHBondContact O-N 3.45Å; N319-A321 PolarHBondContact O-N 2.86Å; N319-R385 VanDerWaalsContact OD1-CZ 3.3Å; N319-R385 PolarHBondContact OD1-NH1 2.83Å; N319-Y421 PolarHBondContact ND2-O 3Å; N319-G423 PolarHBondContact O-N 3.18Å
320	T	98.4	Very high	97.8	Very high	4 Å²	4	22.5 Å²	22.5	3%	0.025	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-70.6	121.4	-178.1	-65.7	0	0	0	0	110.8	I315 Q318 T322 I323 V387 P424 V426	I315-T320 HydrophobicContact CD1-CG2 4.17Å; I315-T320 PolarHBondContact O-N 3.32Å; Q318-T320 PolarHBondContact O-N 3.02Å; T320-T322 WeakPolarHBondContact CG2-O 3.38Å; T320-I323 HydrophobicContact CG2-CG1 4.45Å; T320-V387 WeakPolarHBondContact O-CG2 3.45Å; T320-P424 WeakPolarHBondContact CB-O 3.34Å; T320-P424 WeakPolarHBondContact CG2-O 3.28Å; T320-P424 PolarHBondContact OG1-O 3.37Å; T320-V426 HydrophobicContact CG2-CB 4.09Å; T320-V426 HydrophobicContact CG2-CG2 3.75Å
321	A	98.2	Very high	97.4	Very high	14 Å²	14	21.9 Å²	21.9	12%	0.116	11%	0.106	C	C	.	.			trans	-91.9	-16.4	172.5	0	0	0	0	0	113.4	N319 V387 T388 P419 A422	N319-A321 PolarHBondContact O-N 2.86Å; A321-V387 CarbonylContact O-C 3.59Å; A321-V387 VanDerWaalsContact O-CA 3.3Å; A321-V387 WeakPolarHBondContact O-CA 3.27Å; A321-T388 PolarHBondContact O-N 2.9Å; A321-P419 HydrophobicContact CB-CG 3.68Å; A321-A422 HydrophobicContact CB-CB 3.72Å
322	T	98.8	Very high	96.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	124.4	-170	-52.8	0	0	0	0	111.8	T320 V324 T388 F390 V414 N418 I425 V426	T320-T322 WeakPolarHBondContact CG2-O 3.38Å; T322-V324 HydrophobicContact CG2-CG2 4.39Å; T322-T388 WeakPolarHBondContact CA-O 3.44Å; T322-F390 HydrophobicContact CG2-CD2 3.82Å; T322-F390 HydrophobicContact CG2-CE2 3.94Å; T322-V414 HydrophobicContact CG2-CG1 4.09Å; T322-N418 VanDerWaalsContact CB-OD1 3.28Å; T322-N418 WeakPolarHBondContact CB-OD1 3.39Å; T322-N418 PolarHBondContact OG1-OD1 3.47Å; T322-I425 HydrophobicContact CG2-CG2 4.18Å; T322-V426 PolarHBondContact O-N 2.84Å; T322-V426 VanDerWaalsContact O-N 3.13Å
323	I	98.9	Very high	95.9	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.5	176.3	-53.3	174.2	0	0	0	108.8	F311 W312 I315 T320 Y340 V387 T388 Q389 F390 V426	F311-I323 HydrophobicContact CE1-CD1 4.41Å; F311-I323 HydrophobicContact CZ-CG2 4.29Å; W312-I323 HydrophobicContact CH2-CD1 4.13Å; W312-I323 HydrophobicContact CZ3-CD1 4.14Å; I315-I323 HydrophobicContact CD1-CD1 3.79Å; I315-I323 HydrophobicContact CD1-CG1 3.87Å; I315-I323 HydrophobicContact CG1-CD1 3.88Å; I315-I323 HydrophobicContact CG1-CG1 4.47Å; I315-I323 HydrophobicContact CG2-CD1 4.43Å; T320-I323 HydrophobicContact CG2-CG1 4.45Å; I323-Y340 HydrophobicContact CD1-CE2 4.45Å; I323-Y340 WeakPolarHBondContact CG2-OH 3.16Å; I323-V387 HydrophobicContact CD1-CG1 3.76Å; I323-V387 HydrophobicContact CG1-CG1 3.89Å; I323-T388 PolarHBondContact N-O 2.9Å; I323-Q389 HydrophobicContact CB-CB 4.4Å; I323-Q389 HydrophobicContact CB-CG 4.4Å; I323-Q389 HydrophobicContact CG2-CG 4.45Å; I323-Q389 CarbonylContact O-C 3.58Å; I323-Q389 WeakPolarHBondContact O-CA 3.4Å; I323-F390 PolarHBondContact O-N 2.82Å; I323-V426 CarbonylContact C-O 3.59Å; I323-V426 WeakPolarHBondContact CA-O 3.33Å
324	V	98.9	Very high	95.5	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	104.4	-178.8	-178.7	0	0	0	0	109	T322 V326 F390 F410 V414 I425 V426 V427 H428 F439	T322-V324 HydrophobicContact CG2-CG2 4.39Å; V324-V326 HydrophobicContact CG1-CG1 4.15Å; V324-F390 CarbonylContact C-O 3.5Å; V324-F390 WeakPolarHBondContact CA-O 3.38Å; V324-F410 HydrophobicContact CG1-CE1 3.64Å; V324-F410 HydrophobicContact CG1-CZ 3.82Å; V324-V414 HydrophobicContact CG2-CG1 3.8Å; V324-V414 HydrophobicContact CG2-CG2 3.99Å; V324-I425 HydrophobicContact CG2-CG2 3.69Å; V324-V426 PolarHBondContact N-O 2.91Å; V324-V427 HydrophobicContact CB-CB 4.32Å; V324-V427 HydrophobicContact CB-CG1 4.1Å; V324-V427 HydrophobicContact CB-CG2 4.1Å; V324-V427 HydrophobicContact CG1-CG1 4.02Å; V324-V427 HydrophobicContact CG2-CG2 4.4Å; V324-V427 CarbonylContact O-C 3.57Å; V324-V427 WeakPolarHBondContact O-CA 3.22Å; V324-H428 PolarHBondContact O-N 2.7Å; V324-F439 HydrophobicContact CG1-CD1 4.22Å; V324-F439 HydrophobicContact CG1-CD2 4.12Å; V324-F439 HydrophobicContact CG1-CE1 4.07Å; V324-F439 HydrophobicContact CG1-CE2 3.96Å; V324-F439 HydrophobicContact CG1-CG 4.27Å; V324-F439 HydrophobicContact CG1-CZ 3.95Å; V324-F439 HydrophobicContact CG2-CE1 4.29Å; V324-F439 HydrophobicContact CG2-CZ 4.21Å
325	M	98.7	Very high	95.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	103	179.5	-179.9	167.1	173.1	0	0	109.8	T327 L329 C337 Y340 W341 F390 H391 F392 H428	M325-T327 HydrophobicContact CE-CG2 4.07Å; M325-T327 VanDerWaalsContact CE-O 3.23Å; M325-T327 WeakPolarHBondContact CE-O 3.44Å; M325-T327 HydrophobicContact CG-CG2 4.33Å; M325-L329 HydrophobicContact CE-CD2 3.9Å; M325-L329 HydrophobicContact CE-CG 4.2Å; M325-C337 HydrophobicContact CE-CB 4.14Å; M325-Y340 HydrophobicContact SD-CE1 3.94Å; M325-W341 HydrophobicContact CE-CH2 3.88Å; M325-W341 HydrophobicContact CE-CZ3 3.96Å; M325-W341 HydrophobicContact SD-CH2 3.88Å; M325-W341 HydrophobicContact SD-CZ3 3.57Å; M325-W341 VanDerWaalsContact SD-CZ3 3.57Å; M325-F390 PolarHBondContact N-O 2.82Å; M325-H391 HydrophobicContact CB-CB 4.3Å; M325-H391 CarbonylContact O-C 3.57Å; M325-H391 WeakPolarHBondContact O-CA 3.33Å; M325-F392 PolarHBondContact O-N 2.88Å; M325-H428 VanDerWaalsContact CB-NE2 3.34Å; M325-H428 WeakPolarHBondContact CB-NE2 3.35Å; M325-H428 WeakPolarHBondContact CG-CE1 3.35Å; M325-H428 WeakPolarHBondContact CG-NE2 3.42Å
326	V	98	Very high	95.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.226	C	C	.	.			trans	-104	54.4	177.7	-73.5	0	0	0	0	111	V324 F392 M407 F410 V427 H428 C429 R435	V324-V326 HydrophobicContact CG1-CG1 4.15Å; V326-F392 HydrophobicContact CG1-CB 3.93Å; V326-M407 HydrophobicContact CG1-CE 4.47Å; V326-F410 HydrophobicContact CG1-CE1 3.9Å; V326-F410 HydrophobicContact CG1-CZ 4.35Å; V326-V427 HydrophobicContact CG2-CG1 4.45Å; V326-H428 VanDerWaalsContact CG2-O 3.3Å; V326-H428 WeakPolarHBondContact CG2-O 3.41Å; V326-H428 PolarHBondContact N-O 3.31Å; V326-C429 HydrophobicContact CG2-CB 4.21Å; V326-C429 WeakPolarHBondContact O-CB 3.45Å; V326-R435 HydrophobicContact CB-CB 4.2Å; V326-R435 HydrophobicContact CG2-CB 3.87Å; V326-R435 WeakPolarHBondContact O-CD 3.39Å
327	T	96.6	Very high	95.2	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.012	22%	0.224	C	C	.	.	S	Bend	trans	-160.2	147.1	171.7	-166.9	0	0	0	0	110.3	M325 C337 H391 R435	M325-T327 HydrophobicContact CE-CG2 4.07Å; M325-T327 VanDerWaalsContact CE-O 3.23Å; M325-T327 WeakPolarHBondContact CE-O 3.44Å; M325-T327 HydrophobicContact CG-CG2 4.33Å; T327-C337 HydrophobicContact CG2-CB 4.07Å; T327-H391 PolarHBondContact O-CD2 3.49Å; T327-H391 PolarHBondContact O-NE2 3.5Å; T327-H391 VanDerWaalsContact O-NE2 3.1Å; T327-R435 PolarHBondContact OG1-NH1 2.97Å
328	N	96.3	Very high	95.2	Very high	41 Å²	41	45.1 Å²	45.1	22%	0.219	21%	0.211	C	C	.	.			trans	-73.1	156.8	161.8	-71.2	-57.2	0	0	0	110	K330 E331 T393	N328-K330 VanDerWaalsContact C-N 3.34Å; N328-K330 PolarHBondContact O-N 3.5Å; N328-E331 HydrophobicContact CB-CG 4.31Å; N328-T393 PolarHBondContact ND2-O 2.84Å
329	L	95.6	Very high	95.2	Very high	39 Å²	39	46.3 Å²	46.3	20%	0.204	22%	0.217	C	C	.	.	S	Bend	trans	-61.8	-41.4	178	-73	170.1	0	0	0	112.1	M325 K336 C337 A338 Q339 W341	M325-L329 HydrophobicContact CE-CD2 3.9Å; M325-L329 HydrophobicContact CE-CG 4.2Å; L329-K336 PolarHBondContact O-N 3.16Å; L329-C337 HydrophobicContact CD2-CB 4.25Å; L329-C337 WeakPolarHBondContact CD2-O 3.16Å; L329-C337 PolarHBondContact O-N 3.4Å; L329-A338 WeakPolarHBondContact CD2-O 3.48Å; L329-Q339 HydrophobicContact CD1-CB 4.08Å; L329-Q339 HydrophobicContact CD1-CG 4.26Å; L329-Q339 HydrophobicContact CD2-CB 4.02Å; L329-W341 HydrophobicContact CD1-CH2 3.89Å; L329-W341 HydrophobicContact CD1-CZ2 3.97Å; L329-W341 HydrophobicContact CD2-CH2 3.72Å; L329-W341 HydrophobicContact CD2-CZ3 4.13Å; L329-W341 HydrophobicContact CG-CH2 3.9Å; L329-W341 HydrophobicContact CG-CZ2 4.46Å
330	K	93.1	Very high	95.3	Very high	151 Å²	151	43.3 Å²	43.3	66%	0.657	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131.3	139	178.2	-64.6	176	-175.9	171.8	0	110.1	N328 E334	N328-K330 VanDerWaalsContact C-N 3.34Å; N328-K330 PolarHBondContact O-N 3.5Å; K330-E334 WeakPolarHBondContact CA-O 3.35Å
331	E	89.7	Confident	95.3	Very high	15 Å²	15	43.3 Å²	43.3	7%	0.07	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	129.5	175.5	-62.5	178	165.2	0	0	106.7	N328 K333 E334 K336 D397 R435	N328-E331 HydrophobicContact CB-CG 4.31Å; E331-K333 PolarHBondContact O-N 3.07Å; E331-E334 PolarHBondContact N-O 2.94Å; E331-E334 VanDerWaalsContact N-O 3.09Å; E331-E334 WeakPolarHBondContact O-CB 3.25Å; E331-E334 PolarHBondContact O-N 3.27Å; E331-K336 HydrophobicContact CB-CD 4.48Å; E331-K336 HydrophobicContact CB-CG 3.96Å; E331-K336 HydrophobicContact CG-CG 3.8Å; E331-K336 VanDerWaalsContact OE2-CE 3.23Å; E331-K336 WeakPolarHBondContact OE2-CE 3.44Å; E331-D397 HydrophobicContact CB-CB 4.47Å; E331-D397 WeakPolarHBondContact CB-OD1 3.48Å; E331-D397 WeakPolarHBondContact CG-OD1 3.43Å; E331-R435 IonicContact OE1-CZ 2.63Å; E331-R435 IonicContact OE1-NH1 2.68Å; E331-R435 PolarHBondContact OE1-NH1 2.62Å; E331-R435 IonicContact OE1-NH2 3.68Å; E331-R435 PolarHBondContact OE1-NH2 3.09Å; E331-R435 IonicContact OE2-NH1 3.13Å; E331-R435 IonicContact OE2-NH2 3.85Å
332	R	81.4	Confident	95.2	Very high	160 Å²	160	43.4 Å²	43.4	60%	0.604	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.7	29.9	-172.6	-49	-164.4	165.4	-139.5	-11.6	116	E334 D397 F398	R332-E334 VanDerWaalsContact C-N 3.29Å; R332-E334 PolarHBondContact O-N 2.92Å; R332-D397 HydrophobicContact CG-CB 4.28Å; R332-D397 WeakPolarHBondContact CG-OD2 3.43Å; R332-D397 PolarHBondContact N-OD2 2.94Å; R332-D397 IonicContact NE-OD2 3.52Å; R332-F398 VanDerWaalsContact NH1-CE2 3.32Å
333	K	85.3	Confident	94.8	Very high	202 Å²	202	48.9 Å²	48.9	88%	0.878	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.6	-11.3	-171.1	-48.3	171.8	-177.3	175.8	0	116	E331	E331-K333 PolarHBondContact O-N 3.07Å
334	E	90.3	Very high	94.4	Very high	118 Å²	118	57.1 Å²	57.1	55%	0.551	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	137.1	173.8	-64.5	-175.9	177.7	0	0	111.3	K330 E331 R332 K336	K330-E334 WeakPolarHBondContact CA-O 3.35Å; E331-E334 PolarHBondContact N-O 2.94Å; E331-E334 VanDerWaalsContact N-O 3.09Å; E331-E334 WeakPolarHBondContact O-CB 3.25Å; E331-E334 PolarHBondContact O-N 3.27Å; R332-E334 VanDerWaalsContact C-N 3.29Å; R332-E334 PolarHBondContact O-N 2.92Å; E334-K336 PolarHBondContact O-N 3.03Å; E334-K336 IonicContact OE2-NZ 3.09Å; E334-K336 PolarHBondContact OE2-NZ 3Å
335	C	94	Very high	94.1	Very high	58 Å²	58	59.4 Å²	59.4	39%	0.392	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	112.8	171.9	177.7	0	0	0	0	110.8	R257 C337	R257-C335 PolarHBondContact NH1-O 3Å; C335-C337 PolarHBondContact SG-O 3.48Å
336	K	96.3	Very high	94	Very high	34 Å²	34	62 Å²	62	15%	0.148	31%	0.309	C	S	.	.	S	Bend	trans	-93.6	-28.7	175.9	-57.2	-56	-172.6	179.4	0	112.3	R257 L329 E331 E334 S430	R257-K336 VanDerWaalsContact CZ-O 3.32Å; R257-K336 PolarHBondContact NE-O 2.84Å; R257-K336 PolarHBondContact NH1-O 3.4Å; L329-K336 PolarHBondContact O-N 3.16Å; E331-K336 HydrophobicContact CB-CD 4.48Å; E331-K336 HydrophobicContact CB-CG 3.96Å; E331-K336 HydrophobicContact CG-CG 3.8Å; E331-K336 VanDerWaalsContact OE2-CE 3.23Å; E331-K336 WeakPolarHBondContact OE2-CE 3.44Å; E334-K336 PolarHBondContact O-N 3.03Å; E334-K336 IonicContact OE2-NZ 3.09Å; E334-K336 PolarHBondContact OE2-NZ 3Å; K336-S430 WeakPolarHBondContact O-CA 3.44Å; K336-S430 WeakPolarHBondContact O-CB 3.49Å; K336-S430 PolarHBondContact O-OG 2.83Å
337	C	97.8	Very high	93.9	Very high	3 Å²	3	69.7 Å²	69.7	2%	0.02	34%	0.338	C	S	.	.	S	Bend	trans	-149.4	141.8	176.1	-172.5	0	0	0	0	109.6	M325 T327 L329 C335	M325-C337 HydrophobicContact CE-CB 4.14Å; T327-C337 HydrophobicContact CG2-CB 4.07Å; L329-C337 HydrophobicContact CD2-CB 4.25Å; L329-C337 WeakPolarHBondContact CD2-O 3.16Å; L329-C337 PolarHBondContact O-N 3.4Å; C335-C337 PolarHBondContact SG-O 3.48Å
338	A	97.9	Very high	93.9	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	36%	0.357	C	S	.	.			trans	-65	152.4	164.4	0	0	0	0	0	110.1	P303 E305 V308 L329 Y340	P303-A338 WeakPolarHBondContact O-CB 3.01Å; P303-A338 PolarHBondContact O-N 3.32Å; E305-A338 VanDerWaalsContact CD-CB 3.44Å; E305-A338 HydrophobicContact CG-CB 4.37Å; E305-A338 WeakPolarHBondContact OE1-CA 3.46Å; E305-A338 WeakPolarHBondContact OE1-CB 3.3Å; V308-A338 HydrophobicContact CG2-CB 3.97Å; L329-A338 WeakPolarHBondContact CD2-O 3.48Å; A338-Y340 PolarHBondContact O-N 2.84Å
339	Q	98.3	Very high	94	Very high	68 Å²	68	71.8 Å²	71.8	32%	0.318	35%	0.35	S	S	.	.			trans	-83.2	95.3	172.9	-176.3	171.4	-39.7	0	0	109.7	L329 W341 D343	L329-Q339 HydrophobicContact CD1-CB 4.08Å; L329-Q339 HydrophobicContact CD1-CG 4.26Å; L329-Q339 HydrophobicContact CD2-CB 4.02Å; Q339-W341 HydrophobicContact CG-CD2 3.85Å; Q339-W341 HydrophobicContact CG-CE3 4.19Å; Q339-W341 HydrophobicContact CG-CG 4.31Å; Q339-W341 HydrophobicContact CG-CH2 4.27Å; Q339-W341 HydrophobicContact CG-CZ2 3.89Å; Q339-W341 HydrophobicContact CG-CZ3 4.39Å; Q339-W341 PolarHBondContact NE2-O 2.91Å; Q339-W341 VanDerWaalsContact NE2-O 3.1Å; Q339-W341 PolarHBondContact O-N 3.48Å; Q339-D343 PolarHBondContact NE2-OD1 2.82Å; Q339-D343 PolarHBondContact NE2-OD2 3.2Å
340	Y	98.3	Very high	93.9	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.367	C	S	.	.			trans	-83.3	12.4	-177.4	61.5	-93.3	0	0	0	114.2	P303 F311 W312 I323 M325 A338 Y349 Q389 H428	P303-Y340 HydrophobicContact CG-CD1 3.67Å; P303-Y340 HydrophobicContact CG-CE1 4.42Å; P303-Y340 HydrophobicContact CG-CG 4.14Å; F311-Y340 HydrophobicContact CD1-CD2 4.11Å; F311-Y340 HydrophobicContact CD1-CE2 4.4Å; F311-Y340 HydrophobicContact CD1-CG 4.32Å; F311-Y340 AromaticContact CE1-CD2 3.87Å; F311-Y340 HydrophobicContact CE1-CD2 3.87Å; F311-Y340 HydrophobicContact CE1-CE1 4.4Å; F311-Y340 AromaticContact CE1-CE2 3.7Å; F311-Y340 HydrophobicContact CE1-CE2 3.7Å; F311-Y340 HydrophobicContact CE1-CG 4.3Å; F311-Y340 AromaticContact CE1-CZ 3.96Å; W312-Y340 AromaticContact CZ2-CD2 3.87Å; W312-Y340 HydrophobicContact CZ2-CD2 3.87Å; W312-Y340 HydrophobicContact CZ2-CE2 4.37Å; W312-Y340 PolarHBondContact NE1-O 2.96Å; I323-Y340 HydrophobicContact CD1-CE2 4.45Å; I323-Y340 WeakPolarHBondContact CG2-OH 3.16Å; M325-Y340 HydrophobicContact SD-CE1 3.94Å; A338-Y340 PolarHBondContact O-N 2.84Å; Y340-Y349 WeakPolarHBondContact O-CE2 3.38Å; Y340-Y349 PolarHBondContact O-OH 3.11Å; Y340-Q389 VanDerWaalsContact CZ-NE2 3.26Å; Y340-Q389 PolarHBondContact OH-NE2 2.89Å; Y340-H428 AromaticContact CE1-CE1 3.65Å; Y340-H428 AromaticContact CE1-NE2 3.39Å; Y340-H428 WeakPolarHBondContact CE1-NE2 3.2Å; Y340-H428 AromaticContact CZ-NE2 3.48Å; Y340-H428 PolarHBondContact OH-NE2 2.66Å
341	W	98.3	Very high	93.9	Very high	5 Å²	5	68 Å²	68	2%	0.019	35%	0.35	C	S	.	.	S	Bend	trans	-131.6	146.9	179.4	66.1	84.7	0	0	0	112.1	M325 L329 Q339 Y349 F370 Q389	M325-W341 HydrophobicContact CE-CH2 3.88Å; M325-W341 HydrophobicContact CE-CZ3 3.96Å; M325-W341 HydrophobicContact SD-CH2 3.88Å; M325-W341 HydrophobicContact SD-CZ3 3.57Å; M325-W341 VanDerWaalsContact SD-CZ3 3.57Å; L329-W341 HydrophobicContact CD1-CH2 3.89Å; L329-W341 HydrophobicContact CD1-CZ2 3.97Å; L329-W341 HydrophobicContact CD2-CH2 3.72Å; L329-W341 HydrophobicContact CD2-CZ3 4.13Å; L329-W341 HydrophobicContact CG-CH2 3.9Å; L329-W341 HydrophobicContact CG-CZ2 4.46Å; Q339-W341 HydrophobicContact CG-CD2 3.85Å; Q339-W341 HydrophobicContact CG-CE3 4.19Å; Q339-W341 HydrophobicContact CG-CG 4.31Å; Q339-W341 HydrophobicContact CG-CH2 4.27Å; Q339-W341 HydrophobicContact CG-CZ2 3.89Å; Q339-W341 HydrophobicContact CG-CZ3 4.39Å; Q339-W341 PolarHBondContact NE2-O 2.91Å; Q339-W341 VanDerWaalsContact NE2-O 3.1Å; Q339-W341 PolarHBondContact O-N 3.48Å; W341-Y349 VanDerWaalsContact C-OH 3.22Å; W341-Y349 WeakPolarHBondContact CA-OH 3.38Å; W341-Y349 PolarHBondContact N-OH 2.77Å; W341-F370 HydrophobicContact CB-CE1 3.83Å; W341-F370 HydrophobicContact CB-CE2 4.37Å; W341-F370 HydrophobicContact CB-CZ 3.5Å; W341-F370 VanDerWaalsContact CB-CZ 3.5Å; W341-F370 HydrophobicContact CG-CE1 4.47Å; W341-F370 AromaticContact CG-CZ 3.95Å; W341-F370 HydrophobicContact CG-CZ 3.95Å; W341-Q389 VanDerWaalsContact CE3-NE2 3.25Å
342	P	96.1	Very high	94.3	Very high	16 Å²	16	67.2 Å²	67.2	10%	0.104	35%	0.346	C	S	.	.			trans	-71.7	140.8	167.9	29.3	-31.7	0	0	0	110.3	Q344 W347 Y349 V356	P342-Q344 VanDerWaalsContact C-N 3.34Å; P342-W347 HydrophobicContact CB-CB 4.09Å; P342-W347 HydrophobicContact CG-CB 4.17Å; P342-Y349 WeakPolarHBondContact CD-OH 3.38Å; P342-V356 HydrophobicContact CB-CG2 4.46Å; P342-V356 HydrophobicContact CG-CG2 3.97Å; P342-V356 WeakPolarHBondContact O-CG2 3.2Å
343	D	90.9	Very high	95	Very high	114 Å²	114	63.9 Å²	63.9	61%	0.61	33%	0.334	S	S	*	.	S	Bend	trans	-72	-29.6	175.1	-65.6	-58.3	0	0	0	112.6	Q339	Q339-D343 PolarHBondContact NE2-OD1 2.82Å; Q339-D343 PolarHBondContact NE2-OD2 3.2Å
344	Q	91	Very high	95.6	Very high	174 Å²	174	54.3 Å²	54.3	81%	0.813	29%	0.292	S	S	*	.	S	Bend	trans	-148.3	156.1	178	-64.9	-173.4	-9	0	0	111	P342	P342-Q344 VanDerWaalsContact C-N 3.34Å
345	G	93.4	Very high	95.9	Very high	48 Å²	48	50.1 Å²	50.1	50%	0.495	28%	0.276	S	S	.	.	S	Bend	trans	67.4	-134.8	176.2	0	0	0	0	0	112.7	S355 V356	G345-S355 WeakPolarHBondContact O-CA 3.45Å; G345-S355 PolarHBondContact O-OG 3.31Å; G345-V356 PolarHBondContact O-N 3.41Å
346	C	94.8	Very high	96	Very high	55 Å²	55	49 Å²	49	37%	0.372	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	148.4	178.6	69.6	0	0	0	0	113.4	R353 V354	C346-R353 PolarHBondContact SG-NE 2.87Å; C346-R353 VanDerWaalsContact SG-NE 3.45Å; C346-R353 PolarHBondContact SG-NH2 2.74Å; C346-V354 CarbonylContact C-O 3.48Å; C346-V354 WeakPolarHBondContact CA-O 3.48Å; C346-V354 WeakPolarHBondContact CB-O 3.31Å
347	W	97.1	Very high	95.9	Very high	161 Å²	161	51.8 Å²	51.8	61%	0.61	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.6	169.7	171.6	-161	-98	0	0	0	110.6	P342 Y349 R353 V354	P342-W347 HydrophobicContact CB-CB 4.09Å; P342-W347 HydrophobicContact CG-CB 4.17Å; W347-Y349 HydrophobicContact CB-CE2 4.03Å; W347-Y349 AromaticContact CD1-CD1 3.64Å; W347-Y349 AromaticContact CD1-CE1 3.34Å; W347-Y349 AromaticContact CD1-CE2 3.94Å; W347-Y349 AromaticContact CD1-CZ 3.51Å; W347-Y349 HydrophobicContact CG-CE1 4.23Å; W347-Y349 HydrophobicContact CG-CE2 4.36Å; W347-Y349 AromaticContact NE1-CE1 3.93Å; W347-R353 WeakPolarHBondContact O-CA 3.33Å; W347-V354 PolarHBondContact N-O 3.16Å; W347-V354 PolarHBondContact O-N 3.04Å
348	T	97.1	Very high	95.7	Very high	66 Å²	66	54.5 Å²	54.5	41%	0.405	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	123.3	173.6	-53.9	0	0	0	0	109.7	I352 V375	T348-I352 WeakPolarHBondContact CA-O 3.44Å; T348-V375 HydrophobicContact CG2-CG2 3.97Å
349	Y	96.6	Very high	95.5	Very high	21 Å²	21	57.2 Å²	57.2	8%	0.082	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	107.6	-179.7	-57.5	-77.7	0	0	0	108.2	V308 N309 W312 Y340 W341 P342 W347 N351 I352 V354	V308-Y349 HydrophobicContact CG1-CD1 3.36Å; V308-Y349 HydrophobicContact CG1-CE1 3.62Å; V308-Y349 HydrophobicContact CG1-CG 3.98Å; N309-Y349 VanDerWaalsContact OD1-C 3.28Å; N309-Y349 VanDerWaalsContact OD1-CA 3.28Å; N309-Y349 WeakPolarHBondContact OD1-CA 3.49Å; N309-Y349 WeakPolarHBondContact OD1-CB 3.12Å; W312-Y349 AromaticContact CD1-CD2 3.34Å; W312-Y349 AromaticContact CD1-CG 3.53Å; W312-Y349 HydrophobicContact CG-CD2 4.13Å; W312-Y349 HydrophobicContact CG-CG 4.43Å; W312-Y349 AromaticContact NE1-CD2 3.38Å; W312-Y349 AromaticContact NE1-CE2 3.56Å; W312-Y349 AromaticContact NE1-CG 3.95Å; Y340-Y349 WeakPolarHBondContact O-CE2 3.38Å; Y340-Y349 PolarHBondContact O-OH 3.11Å; W341-Y349 VanDerWaalsContact C-OH 3.22Å; W341-Y349 WeakPolarHBondContact CA-OH 3.38Å; W341-Y349 PolarHBondContact N-OH 2.77Å; P342-Y349 WeakPolarHBondContact CD-OH 3.38Å; W347-Y349 HydrophobicContact CB-CE2 4.03Å; W347-Y349 AromaticContact CD1-CD1 3.64Å; W347-Y349 AromaticContact CD1-CE1 3.34Å; W347-Y349 AromaticContact CD1-CE2 3.94Å; W347-Y349 AromaticContact CD1-CZ 3.51Å; W347-Y349 HydrophobicContact CG-CE1 4.23Å; W347-Y349 HydrophobicContact CG-CE2 4.36Å; W347-Y349 AromaticContact NE1-CE1 3.93Å; Y349-N351 PolarHBondContact O-N 2.78Å; Y349-N351 VanDerWaalsContact O-N 3.11Å; Y349-I352 PolarHBondContact N-O 3.44Å; Y349-I352 PolarHBondContact O-N 2.98Å; Y349-V354 HydrophobicContact CD2-CB 4.21Å; Y349-V354 HydrophobicContact CD2-CG2 3.78Å; Y349-V354 HydrophobicContact CE2-CB 4.1Å; Y349-V354 HydrophobicContact CE2-CG2 4.11Å
350	G	94.3	Very high	95.2	Very high	54 Å²	54	56.4 Å²	56.4	56%	0.557	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	-112.9	-168.4	0	0	0	0	0	111	N309	N309-G350 PolarHBondContact OD1-N 2.79Å
351	N	93.4	Very high	94.8	Very high	55 Å²	55	60.4 Å²	60.4	29%	0.294	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	9.6	175.4	65.1	-4.6	0	0	0	113.9	Y349 Q374 V375	Y349-N351 PolarHBondContact O-N 2.78Å; Y349-N351 VanDerWaalsContact O-N 3.11Å; N351-Q374 PolarHBondContact ND2-NE2 2.93Å; N351-Q374 VanDerWaalsContact ND2-NE2 3.16Å; N351-Q374 CarbonylContact O-C 3.59Å; N351-Q374 WeakPolarHBondContact O-CA 3.44Å; N351-V375 WeakPolarHBondContact O-CG2 3.39Å; N351-V375 PolarHBondContact O-N 2.85Å
352	I	96.9	Very high	94.3	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	111.5	179.2	-51.6	-55.5	0	0	0	109.9	W312 W316 T348 Y349 V354 I372 Q374	W312-I352 HydrophobicContact CB-CB 4.11Å; W312-I352 HydrophobicContact CB-CG1 4.28Å; W312-I352 HydrophobicContact CB-CG2 4.28Å; W316-I352 HydrophobicContact CB-CD1 3.63Å; W316-I352 HydrophobicContact CB-CG1 4.25Å; W316-I352 HydrophobicContact CD2-CD1 4.05Å; W316-I352 HydrophobicContact CG-CD1 3.58Å; T348-I352 WeakPolarHBondContact CA-O 3.44Å; Y349-I352 PolarHBondContact N-O 3.44Å; Y349-I352 PolarHBondContact O-N 2.98Å; I352-V354 HydrophobicContact CG2-CG2 4.09Å; I352-I372 HydrophobicContact CG2-CB 4.31Å; I352-Q374 HydrophobicContact CD1-CB 3.94Å; I352-Q374 HydrophobicContact CD1-CG 4.17Å
353	R	96.7	Very high	93.9	Very high	90 Å²	90	61.3 Å²	61.3	34%	0.34	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	133.3	167.9	-176.8	177.7	176.6	-124.8	-1.9	108.9	C346 W347 I372 Q373 V375	C346-R353 PolarHBondContact SG-NE 2.87Å; C346-R353 VanDerWaalsContact SG-NE 3.45Å; C346-R353 PolarHBondContact SG-NH2 2.74Å; W347-R353 WeakPolarHBondContact O-CA 3.33Å; R353-I372 CarbonylContact O-C 3.58Å; R353-I372 VanDerWaalsContact O-CA 3.26Å; R353-I372 WeakPolarHBondContact O-CA 3.17Å; R353-Q373 PolarHBondContact N-O 2.89Å; R353-Q373 PolarHBondContact O-N 3.4Å; R353-V375 HydrophobicContact CB-CG1 3.98Å; R353-V375 HydrophobicContact CB-CG2 4.49Å
354	V	98.1	Very high	93.8	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	118.3	-180	179	0	0	0	0	108.1	W312 C346 W347 Y349 I352 F370 I372	W312-V354 HydrophobicContact CD2-CG2 3.72Å; W312-V354 HydrophobicContact CE3-CG2 3.94Å; W312-V354 HydrophobicContact CG-CG2 4.23Å; W312-V354 HydrophobicContact CH2-CG1 3.94Å; W312-V354 HydrophobicContact CH2-CG2 4.18Å; W312-V354 HydrophobicContact CZ2-CG1 3.82Å; W312-V354 HydrophobicContact CZ2-CG2 3.97Å; W312-V354 HydrophobicContact CZ3-CG2 4.17Å; C346-V354 CarbonylContact C-O 3.48Å; C346-V354 WeakPolarHBondContact CA-O 3.48Å; C346-V354 WeakPolarHBondContact CB-O 3.31Å; W347-V354 PolarHBondContact N-O 3.16Å; W347-V354 PolarHBondContact O-N 3.04Å; Y349-V354 HydrophobicContact CD2-CB 4.21Å; Y349-V354 HydrophobicContact CD2-CG2 3.78Å; Y349-V354 HydrophobicContact CE2-CB 4.1Å; Y349-V354 HydrophobicContact CE2-CG2 4.11Å; I352-V354 HydrophobicContact CG2-CG2 4.09Å; V354-F370 HydrophobicContact CG1-CB 4.09Å; V354-F370 HydrophobicContact CG1-CD1 3.94Å; V354-F370 HydrophobicContact CG1-CG 4.11Å; V354-I372 HydrophobicContact CB-CG2 4.35Å; V354-I372 HydrophobicContact CG1-CG2 4.16Å; V354-I372 HydrophobicContact CG2-CG2 3.95Å
355	S	97.1	Very high	93.9	Very high	30 Å²	30	49.9 Å²	49.9	21%	0.21	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	137.3	174.2	-163.8	0	0	0	0	110.1	G345 F370 C371	G345-S355 WeakPolarHBondContact O-CA 3.45Å; G345-S355 PolarHBondContact O-OG 3.31Å; S355-F370 CarbonylContact O-C 3.59Å; S355-F370 WeakPolarHBondContact O-CA 3.18Å; S355-C371 PolarHBondContact N-O 3.32Å; S355-C371 PolarHBondContact O-N 2.84Å
356	V	96.3	Very high	94	Very high	35 Å²	35	48 Å²	48	21%	0.212	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	139.5	164.5	-167.7	0	0	0	0	108.5	P342 G345 F370	P342-V356 HydrophobicContact CB-CG2 4.46Å; P342-V356 HydrophobicContact CG-CG2 3.97Å; P342-V356 WeakPolarHBondContact O-CG2 3.2Å; G345-V356 PolarHBondContact O-N 3.41Å; V356-F370 HydrophobicContact CG2-CE1 4.3Å
357	D	94.4	Very high	94.1	Very high	93 Å²	93	46.5 Å²	46.5	50%	0.497	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-50.8	173.8	174.2	73	0	0	0	110.2	K369	D357-K369 HydrophobicContact CB-CB 3.9Å; D357-K369 PolarHBondContact N-O 2.98Å; D357-K369 WeakPolarHBondContact OD2-CB 3.4Å; D357-K369 WeakPolarHBondContact OD2-CD 3.37Å
358	D	93.6	Very high	94.1	Very high	59 Å²	59	40.7 Å²	40.7	32%	0.316	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	154.6	-177.5	177.5	27	0	0	0	110.9	R368 K369	D358-R368 CarbonylContact O-C 3.59Å; D358-R368 WeakPolarHBondContact O-CA 3.33Å; D358-K369 HydrophobicContact CB-CB 4.09Å; D358-K369 HydrophobicContact CB-CD 3.98Å; D358-K369 HydrophobicContact CB-CG 4.09Å; D358-K369 PolarHBondContact O-N 3.32Å; D358-K369 IonicContact OD2-NZ 2.72Å; D358-K369 PolarHBondContact OD2-NZ 3.38Å
359	A	92.8	Very high	94.1	Very high	58 Å²	58	40.9 Å²	40.9	48%	0.479	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	111.5	177.7	0	0	0	0	0	112.3	V367 R368	A359-V367 CarbonylContact C-O 3.5Å; A359-V367 WeakPolarHBondContact CA-O 3.45Å; A359-R368 HydrophobicContact CB-CG 4.32Å
360	V	91.1	Very high	94.2	Very high	51 Å²	51	39.9 Å²	39.9	31%	0.309	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	118.4	179.8	-177.4	0	0	0	0	110.2	L362 T366 V367	V360-L362 HydrophobicContact CG1-CD2 4.08Å; V360-L362 HydrophobicContact CG1-CG 4.3Å; V360-T366 CarbonylContact O-C 3.56Å; V360-T366 WeakPolarHBondContact O-CA 3.3Å; V360-T366 WeakPolarHBondContact O-CG2 3.38Å; V360-V367 PolarHBondContact N-O 3.38Å; V360-V367 PolarHBondContact O-N 2.86Å
361	V	90.4	Very high	94.3	Very high	83 Å²	83	39 Å²	39	50%	0.503	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	126.8	176	-177.6	0	0	0	0	110.2	T366	V361-T366 HydrophobicContact CG2-CG2 3.91Å
362	L	88.8	Confident	94.5	Very high	12 Å²	12	36.5 Å²	36.5	6%	0.063	20%	0.202	C	C	.	.			trans	-124.7	169.1	173.5	-52.6	179.2	0	0	0	110	V360 D364 Y365 Y584	V360-L362 HydrophobicContact CG1-CD2 4.08Å; V360-L362 HydrophobicContact CG1-CG 4.3Å; L362-D364 PolarHBondContact O-N 3.14Å; L362-Y365 CarbonylContact C-O 3.58Å; L362-Y365 WeakPolarHBondContact CA-O 3.42Å; L362-Y365 WeakPolarHBondContact CB-O 3.44Å; L362-Y365 HydrophobicContact CD1-CD2 4.41Å; L362-Y365 HydrophobicContact CD1-CE2 3.8Å; L362-Y365 PolarHBondContact N-O 3Å; L362-Y365 VanDerWaalsContact O-O 3.13Å; L362-Y584 HydrophobicContact CD2-CE1 3.81Å; L362-Y584 HydrophobicContact CD2-CE2 3.87Å; L362-Y584 VanDerWaalsContact CD2-CZ 3.41Å; L362-Y584 WeakPolarHBondContact CD2-OH 3.48Å
363	V	86.8	Confident	94.4	Very high	28 Å²	28	38.1 Å²	38.1	17%	0.17	21%	0.21	C	C	.	.	S	Bend	trans	-61.2	-36.6	-174.6	67.7	0	0	0	0	114.9	D582 G583 Y584 K587	V363-D582 HydrophobicContact CG2-CB 4.22Å; V363-G583 WeakPolarHBondContact CB-O 3.49Å; V363-G583 WeakPolarHBondContact CG1-O 3.03Å; V363-Y584 WeakPolarHBondContact CB-O 3.43Å; V363-Y584 WeakPolarHBondContact CG1-O 3.35Å; V363-Y584 PolarHBondContact N-O 2.89Å; V363-Y584 VanDerWaalsContact N-O 3.09Å; V363-K587 HydrophobicContact CG2-CG 3.63Å
364	D	89.5	Confident	94.2	Very high	40 Å²	40	35.5 Å²	35.5	21%	0.214	20%	0.201	C	C	.	.	S	Bend	trans	-95.6	-26.7	-179.3	-86.8	-46.4	0	0	0	113.9	L362 F392 T393 S394 G406	L362-D364 PolarHBondContact O-N 3.14Å; D364-F392 HydrophobicContact CB-CE2 4.14Å; D364-F392 WeakPolarHBondContact O-CD2 3.43Å; D364-T393 PolarHBondContact O-N 2.84Å; D364-T393 PolarHBondContact O-OG1 2.85Å; D364-T393 VanDerWaalsContact O-OG1 3.13Å; D364-S394 PolarHBondContact O-N 2.87Å; D364-S394 WeakPolarHBondContact OD1-CB 3.39Å; D364-S394 PolarHBondContact OD1-OG 3.23Å; D364-G406 WeakPolarHBondContact OD2-CA 3.25Å
365	Y	93.8	Very high	93.8	Very high	9 Å²	9	38 Å²	38	4%	0.035	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	157.5	-172.9	59.1	-91.7	0	0	0	113.7	L362 V367 H391 T393 F410	L362-Y365 CarbonylContact C-O 3.58Å; L362-Y365 WeakPolarHBondContact CA-O 3.42Å; L362-Y365 WeakPolarHBondContact CB-O 3.44Å; L362-Y365 HydrophobicContact CD1-CD2 4.41Å; L362-Y365 HydrophobicContact CD1-CE2 3.8Å; L362-Y365 PolarHBondContact N-O 3Å; L362-Y365 VanDerWaalsContact O-O 3.13Å; Y365-V367 HydrophobicContact CD2-CG2 3.78Å; Y365-V367 HydrophobicContact CE2-CG2 3.72Å; Y365-H391 CarbonylContact C-O 3.56Å; Y365-H391 WeakPolarHBondContact CA-O 3.48Å; Y365-H391 VanDerWaalsContact CB-O 3.28Å; Y365-H391 WeakPolarHBondContact CB-O 3.42Å; Y365-T393 PolarHBondContact N-OG1 3.16Å; Y365-F410 HydrophobicContact CD1-CB 4.03Å; Y365-F410 AromaticContact CD1-CD2 3.85Å; Y365-F410 HydrophobicContact CD1-CD2 3.85Å; Y365-F410 HydrophobicContact CD1-CG 4.44Å; Y365-F410 HydrophobicContact CD2-CD2 4.04Å; Y365-F410 HydrophobicContact CE1-CB 4.22Å; Y365-F410 AromaticContact CG-CD2 3.59Å; Y365-F410 HydrophobicContact CG-CD2 3.59Å; Y365-F410 HydrophobicContact CG-CE2 4.27Å
366	T	94.9	Very high	92.8	Very high	9 Å²	9	40.3 Å²	40.3	6%	0.055	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	138.8	167.2	-53.2	0	0	0	0	109.7	V360 V361 R368 H391	V360-T366 CarbonylContact O-C 3.56Å; V360-T366 WeakPolarHBondContact O-CA 3.3Å; V360-T366 WeakPolarHBondContact O-CG2 3.38Å; V361-T366 HydrophobicContact CG2-CG2 3.91Å; T366-R368 HydrophobicContact CG2-CG 3.99Å; T366-H391 PolarHBondContact N-O 2.98Å; T366-H391 PolarHBondContact O-N 2.8Å
367	V	96.2	Very high	91.5	Very high	22 Å²	22	41.5 Å²	41.5	13%	0.133	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	130.3	168.4	-171.5	0	0	0	0	108.2	A359 V360 Y365 T388 Q389 F390	A359-V367 CarbonylContact C-O 3.5Å; A359-V367 WeakPolarHBondContact CA-O 3.45Å; V360-V367 PolarHBondContact N-O 3.38Å; V360-V367 PolarHBondContact O-N 2.86Å; Y365-V367 HydrophobicContact CD2-CG2 3.78Å; Y365-V367 HydrophobicContact CE2-CG2 3.72Å; V367-T388 HydrophobicContact CG1-CG2 3.54Å; V367-Q389 CarbonylContact C-O 3.57Å; V367-Q389 WeakPolarHBondContact CA-O 3.42Å; V367-F390 HydrophobicContact CB-CE1 4.48Å; V367-F390 HydrophobicContact CG1-CD1 4.16Å; V367-F390 HydrophobicContact CG1-CE1 3.79Å; V367-F390 HydrophobicContact CG1-CZ 4.18Å; V367-F390 HydrophobicContact CG2-CD1 3.83Å; V367-F390 HydrophobicContact CG2-CE1 3.83Å
368	R	97.6	Very high	89.7	Confident	39 Å²	39	44 Å²	44	15%	0.147	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134.3	174.1	-56.2	-173.7	-178.6	88.7	-1.1	109.9	D358 A359 T366 F370 T388 Q389 H391	D358-R368 CarbonylContact O-C 3.59Å; D358-R368 WeakPolarHBondContact O-CA 3.33Å; A359-R368 HydrophobicContact CB-CG 4.32Å; T366-R368 HydrophobicContact CG2-CG 3.99Å; R368-F370 HydrophobicContact CB-CE1 4.35Å; R368-F370 HydrophobicContact CB-CE2 3.83Å; R368-F370 HydrophobicContact CB-CZ 3.67Å; R368-F370 HydrophobicContact CG-CZ 4.41Å; R368-T388 CarbonylContact O-C 3.48Å; R368-T388 WeakPolarHBondContact O-CA 3.35Å; R368-Q389 HydrophobicContact CB-CB 4.41Å; R368-Q389 PolarHBondContact N-O 3.04Å; R368-Q389 PolarHBondContact O-N 3.38Å; R368-H391 PolarHBondContact NH1-ND1 2.86Å
369	K	97.4	Very high	88	Confident	70 Å²	70	46.4 Å²	46.4	30%	0.304	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	138.2	171.3	-59.5	-173.4	-167	119.7	0	109.7	D357 D358 L386	D357-K369 HydrophobicContact CB-CB 3.9Å; D357-K369 PolarHBondContact N-O 2.98Å; D357-K369 WeakPolarHBondContact OD2-CB 3.4Å; D357-K369 WeakPolarHBondContact OD2-CD 3.37Å; D358-K369 HydrophobicContact CB-CB 4.09Å; D358-K369 HydrophobicContact CB-CD 3.98Å; D358-K369 HydrophobicContact CB-CG 4.09Å; D358-K369 PolarHBondContact O-N 3.32Å; D358-K369 IonicContact OD2-NZ 2.72Å; D358-K369 PolarHBondContact OD2-NZ 3.38Å; K369-L386 HydrophobicContact CB-CD1 4.23Å
370	F	98.1	Very high	86.3	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	131.6	178.5	-57.6	-68.8	0	0	0	111.4	W312 W341 V354 S355 V356 R368 I372 L386 V387 Q389	W312-F370 HydrophobicContact CH2-CD2 4.19Å; W341-F370 HydrophobicContact CB-CE1 3.83Å; W341-F370 HydrophobicContact CB-CE2 4.37Å; W341-F370 HydrophobicContact CB-CZ 3.5Å; W341-F370 VanDerWaalsContact CB-CZ 3.5Å; W341-F370 HydrophobicContact CG-CE1 4.47Å; W341-F370 AromaticContact CG-CZ 3.95Å; W341-F370 HydrophobicContact CG-CZ 3.95Å; V354-F370 HydrophobicContact CG1-CB 4.09Å; V354-F370 HydrophobicContact CG1-CD1 3.94Å; V354-F370 HydrophobicContact CG1-CG 4.11Å; S355-F370 CarbonylContact O-C 3.59Å; S355-F370 WeakPolarHBondContact O-CA 3.18Å; V356-F370 HydrophobicContact CG2-CE1 4.3Å; R368-F370 HydrophobicContact CB-CE1 4.35Å; R368-F370 HydrophobicContact CB-CE2 3.83Å; R368-F370 HydrophobicContact CB-CZ 3.67Å; R368-F370 HydrophobicContact CG-CZ 4.41Å; F370-I372 HydrophobicContact CB-CG2 4.15Å; F370-L386 CarbonylContact O-C 3.55Å; F370-L386 WeakPolarHBondContact O-CA 3.02Å; F370-V387 PolarHBondContact N-O 3.37Å; F370-V387 PolarHBondContact O-N 3.03Å; F370-Q389 HydrophobicContact CD2-CB 4.36Å; F370-Q389 HydrophobicContact CE2-CB 3.72Å
371	C	97.4	Very high	85.1	Confident	37 Å²	37	52.7 Å²	52.7	25%	0.25	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	112.7	166.1	-72.8	0	0	0	0	108.7	S355	S355-C371 PolarHBondContact N-O 3.32Å; S355-C371 PolarHBondContact O-N 2.84Å
372	I	97	Very high	84.5	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	146.7	-178.6	75.1	167.3	0	0	0	112.6	W312 I315 W316 I352 R353 V354 F370 Q384 R385 V387	W312-I372 HydrophobicContact CE3-CG2 4.39Å; W312-I372 HydrophobicContact CH2-CG2 4.37Å; W312-I372 HydrophobicContact CZ3-CD1 4.5Å; W312-I372 HydrophobicContact CZ3-CG2 3.82Å; I315-I372 HydrophobicContact CG2-CD1 3.98Å; W316-I372 HydrophobicContact CE3-CD1 3.89Å; W316-I372 HydrophobicContact CE3-CG1 4.06Å; W316-I372 HydrophobicContact CZ3-CG1 4.22Å; I352-I372 HydrophobicContact CG2-CB 4.31Å; R353-I372 CarbonylContact O-C 3.58Å; R353-I372 VanDerWaalsContact O-CA 3.26Å; R353-I372 WeakPolarHBondContact O-CA 3.17Å; V354-I372 HydrophobicContact CB-CG2 4.35Å; V354-I372 HydrophobicContact CG1-CG2 4.16Å; V354-I372 HydrophobicContact CG2-CG2 3.95Å; F370-I372 HydrophobicContact CB-CG2 4.15Å; I372-Q384 WeakPolarHBondContact O-CA 3.49Å; I372-R385 HydrophobicContact CG1-CB 4.05Å; I372-R385 PolarHBondContact N-O 3.28Å; I372-R385 PolarHBondContact O-N 3.26Å; I372-V387 HydrophobicContact CD1-CG2 3.62Å; I372-V387 HydrophobicContact CG1-CG2 3.9Å; I372-V387 HydrophobicContact CG2-CG2 4.4Å
373	Q	94.9	Very high	84.4	Confident	35 Å²	35	56.4 Å²	56.4	16%	0.164	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	131.1	179.8	-165.1	168.7	21.8	0	0	111.7	R353 K382 Q384	R353-Q373 PolarHBondContact N-O 2.89Å; R353-Q373 PolarHBondContact O-N 3.4Å; Q373-K382 PolarHBondContact NE2-O 3.27Å; Q373-Q384 HydrophobicContact CB-CG 4.11Å; Q373-Q384 VanDerWaalsContact CD-CG 3.5Å; Q373-Q384 HydrophobicContact CG-CG 4.07Å
374	Q	92.3	Very high	84.7	Confident	34 Å²	34	60.3 Å²	60.3	16%	0.159	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	130.1	167.3	-175.7	169.8	47.4	0	0	110.7	W316 N351 I352 K382	W316-Q374 HydrophobicContact CD2-CB 4.07Å; W316-Q374 VanDerWaalsContact CE2-CB 3.43Å; W316-Q374 HydrophobicContact CH2-CB 4.14Å; W316-Q374 HydrophobicContact CZ2-CB 3.48Å; W316-Q374 VanDerWaalsContact CZ2-CB 3.48Å; N351-Q374 PolarHBondContact ND2-NE2 2.93Å; N351-Q374 VanDerWaalsContact ND2-NE2 3.16Å; N351-Q374 CarbonylContact O-C 3.59Å; N351-Q374 WeakPolarHBondContact O-CA 3.44Å; I352-Q374 HydrophobicContact CD1-CB 3.94Å; I352-Q374 HydrophobicContact CD1-CG 4.17Å; Q374-K382 HydrophobicContact CB-CD 4.46Å; Q374-K382 VanDerWaalsContact OE1-CD 3.24Å
375	V	89.2	Confident	84.9	Confident	54 Å²	54	62 Å²	62	33%	0.327	35%	0.351	S	S	.	.			trans	-120.9	161.7	-178.1	-65.9	0	0	0	0	111.1	T348 N351 R353 D377	T348-V375 HydrophobicContact CG2-CG2 3.97Å; N351-V375 WeakPolarHBondContact O-CG2 3.39Å; N351-V375 PolarHBondContact O-N 2.85Å; R353-V375 HydrophobicContact CB-CG1 3.98Å; R353-V375 HydrophobicContact CB-CG2 4.49Å; V375-D377 VanDerWaalsContact C-N 3.33Å; V375-D377 PolarHBondContact O-N 2.68Å
376	G	76.6	Confident	85.1	Confident	77 Å²	77	66 Å²	66	79%	0.794	37%	0.372	S	S	*	.	S	Bend	trans	88	-13.1	-179.7	0	0	0	0	0	115.4	V378	G376-V378 PolarHBondContact O-N 3.15Å
377	D	68	Low	85.2	Confident	61 Å²	61	65.6 Å²	65.6	33%	0.326	37%	0.37	S	S	.	.			trans	-78.1	113.6	173.2	-168.5	-20.5	0	0	0	110.7	V375 S379 K382	V375-D377 VanDerWaalsContact C-N 3.33Å; V375-D377 PolarHBondContact O-N 2.68Å; D377-S379 VanDerWaalsContact C-N 3.31Å; D377-S379 WeakPolarHBondContact OD1-CB 3.46Å; D377-S379 PolarHBondContact OD1-N 2.85Å; D377-S379 PolarHBondContact OD1-OG 3.42Å; D377-K382 VanDerWaalsContact OD2-CE 3.31Å; D377-K382 WeakPolarHBondContact OD2-CE 3.49Å; D377-K382 IonicContact OD2-NZ 2.64Å; D377-K382 PolarHBondContact OD2-NZ 3Å
378	V	57.4	Low	85.3	Confident	146 Å²	146	65.5 Å²	65.5	89%	0.885	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-17.6	-177.1	-164.6	0	0	0	0	111.9	G376 G380	G376-V378 PolarHBondContact O-N 3.15Å; V378-G380 VanDerWaalsContact C-N 3.32Å; V378-G380 PolarHBondContact O-N 3.38Å
379	S	57.5	Low	85.4	Confident	109 Å²	109	63.7 Å²	63.7	76%	0.762	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-18.8	-174.7	70.4	0	0	0	0	114.2	D377	D377-S379 VanDerWaalsContact C-N 3.31Å; D377-S379 WeakPolarHBondContact OD1-CB 3.46Å; D377-S379 PolarHBondContact OD1-N 2.85Å; D377-S379 PolarHBondContact OD1-OG 3.42Å
380	G	56.8	Low	85.4	Confident	35 Å²	35	60.4 Å²	60.4	36%	0.361	35%	0.348	S	S	.	.			trans	169.4	143.7	173.5	0	0	0	0	0	113.6	V378 K382	V378-G380 VanDerWaalsContact C-N 3.32Å; V378-G380 PolarHBondContact O-N 3.38Å; G380-K382 PolarHBondContact O-N 2.91Å
381	K	66.7	Low	85.5	Confident	205 Å²	205	60.9 Å²	60.9	89%	0.891	35%	0.35	S	S	*	.			trans	-68.3	94.6	172.6	-71.2	-177.1	-179.9	177.4	0	109.9
382	K	77.8	Confident	85.5	Confident	73 Å²	73	59.1 Å²	59.1	32%	0.317	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-55.9	140.5	171.8	-70.5	165.5	179	160	0	109.7	W316 Q373 Q374 D377 G380	W316-K382 HydrophobicContact CH2-CB 4.22Å; W316-K382 HydrophobicContact CZ2-CB 3.88Å; W316-K382 HydrophobicContact CZ2-CD 4.13Å; Q373-K382 PolarHBondContact NE2-O 3.27Å; Q374-K382 HydrophobicContact CB-CD 4.46Å; Q374-K382 VanDerWaalsContact OE1-CD 3.24Å; D377-K382 VanDerWaalsContact OD2-CE 3.31Å; D377-K382 WeakPolarHBondContact OD2-CE 3.49Å; D377-K382 IonicContact OD2-NZ 2.64Å; D377-K382 PolarHBondContact OD2-NZ 3Å; G380-K382 PolarHBondContact O-N 2.91Å
383	P	87.1	Confident	85.3	Confident	100 Å²	100	60.9 Å²	60.9	65%	0.649	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-63.8	150.7	-174	26.5	-35.1	0	0	0	111.3	W316	W316-P383 WeakPolarHBondContact CH2-O 3.46Å
384	Q	92.3	Very high	85.2	Confident	111 Å²	111	59.9 Å²	59.9	52%	0.519	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-69	146.3	172.7	-61.8	-172.2	-22.3	0	0	109.9	I372 Q373	I372-Q384 WeakPolarHBondContact O-CA 3.49Å; Q373-Q384 HydrophobicContact CB-CG 4.11Å; Q373-Q384 VanDerWaalsContact CD-CG 3.5Å; Q373-Q384 HydrophobicContact CG-CG 4.07Å
385	R	94.8	Very high	85.3	Confident	75 Å²	75	58.5 Å²	58.5	28%	0.283	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	137.6	176.6	-60.3	-178.5	-174.4	161.7	-0.9	109.6	W316 N319 I372	W316-R385 HydrophobicContact CH2-CG 4.46Å; W316-R385 HydrophobicContact CZ3-CG 3.96Å; W316-R385 PolarHBondContact O-NH1 3.22Å; N319-R385 VanDerWaalsContact OD1-CZ 3.3Å; N319-R385 PolarHBondContact OD1-NH1 2.83Å; I372-R385 HydrophobicContact CG1-CB 4.05Å; I372-R385 PolarHBondContact N-O 3.28Å; I372-R385 PolarHBondContact O-N 3.26Å
386	L	96.7	Very high	85.1	Confident	93 Å²	93	58.3 Å²	58.3	49%	0.487	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	130.3	169.1	-169.1	68.8	0	0	0	108.9	K369 F370	K369-L386 HydrophobicContact CB-CD1 4.23Å; F370-L386 CarbonylContact O-C 3.55Å; F370-L386 WeakPolarHBondContact O-CA 3.02Å
387	V	98.1	Very high	85	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.006	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	129.4	174.2	174.9	0	0	0	0	109	I315 T320 A321 I323 F370 I372	I315-V387 HydrophobicContact CG2-CG1 4.37Å; I315-V387 HydrophobicContact CG2-CG2 4.18Å; T320-V387 WeakPolarHBondContact O-CG2 3.45Å; A321-V387 CarbonylContact O-C 3.59Å; A321-V387 VanDerWaalsContact O-CA 3.3Å; A321-V387 WeakPolarHBondContact O-CA 3.27Å; I323-V387 HydrophobicContact CD1-CG1 3.76Å; I323-V387 HydrophobicContact CG1-CG1 3.89Å; F370-V387 PolarHBondContact N-O 3.37Å; F370-V387 PolarHBondContact O-N 3.03Å; I372-V387 HydrophobicContact CD1-CG2 3.62Å; I372-V387 HydrophobicContact CG1-CG2 3.9Å; I372-V387 HydrophobicContact CG2-CG2 4.4Å
388	T	98.5	Very high	85.3	Confident	20 Å²	20	61.7 Å²	61.7	12%	0.123	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.4	177.2	-49.2	0	0	0	0	110.4	A321 T322 I323 V367 R368 F390	A321-T388 PolarHBondContact O-N 2.9Å; T322-T388 WeakPolarHBondContact CA-O 3.44Å; I323-T388 PolarHBondContact N-O 2.9Å; V367-T388 HydrophobicContact CG1-CG2 3.54Å; R368-T388 CarbonylContact O-C 3.48Å; R368-T388 WeakPolarHBondContact O-CA 3.35Å; T388-F390 HydrophobicContact CG2-CD2 4.02Å; T388-F390 HydrophobicContact CG2-CE1 4.35Å; T388-F390 HydrophobicContact CG2-CE2 3.38Å; T388-F390 HydrophobicContact CG2-CZ 3.56Å
389	Q	98.6	Very high	86.8	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	124.3	169.8	-177.3	-155.8	58.3	0	0	109.8	I323 Y340 W341 V367 R368 F370	I323-Q389 HydrophobicContact CB-CB 4.4Å; I323-Q389 HydrophobicContact CB-CG 4.4Å; I323-Q389 HydrophobicContact CG2-CG 4.45Å; I323-Q389 CarbonylContact O-C 3.58Å; I323-Q389 WeakPolarHBondContact O-CA 3.4Å; Y340-Q389 VanDerWaalsContact CZ-NE2 3.26Å; Y340-Q389 PolarHBondContact OH-NE2 2.89Å; W341-Q389 VanDerWaalsContact CE3-NE2 3.25Å; V367-Q389 CarbonylContact C-O 3.57Å; V367-Q389 WeakPolarHBondContact CA-O 3.42Å; R368-Q389 HydrophobicContact CB-CB 4.41Å; R368-Q389 PolarHBondContact N-O 3.04Å; R368-Q389 PolarHBondContact O-N 3.38Å; F370-Q389 HydrophobicContact CD2-CB 4.36Å; F370-Q389 HydrophobicContact CE2-CB 3.72Å
390	F	98.6	Very high	88.4	Confident	1 Å²	1	52.6 Å²	52.6	0%	0.004	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	112.3	170.2	-68.2	-86.8	0	0	0	108.6	T322 I323 V324 M325 V367 T388 F410 K413 V414 C417	T322-F390 HydrophobicContact CG2-CD2 3.82Å; T322-F390 HydrophobicContact CG2-CE2 3.94Å; I323-F390 PolarHBondContact O-N 2.82Å; V324-F390 CarbonylContact C-O 3.5Å; V324-F390 WeakPolarHBondContact CA-O 3.38Å; M325-F390 PolarHBondContact N-O 2.82Å; V367-F390 HydrophobicContact CB-CE1 4.48Å; V367-F390 HydrophobicContact CG1-CD1 4.16Å; V367-F390 HydrophobicContact CG1-CE1 3.79Å; V367-F390 HydrophobicContact CG1-CZ 4.18Å; V367-F390 HydrophobicContact CG2-CD1 3.83Å; V367-F390 HydrophobicContact CG2-CE1 3.83Å; T388-F390 HydrophobicContact CG2-CD2 4.02Å; T388-F390 HydrophobicContact CG2-CE1 4.35Å; T388-F390 HydrophobicContact CG2-CE2 3.38Å; T388-F390 HydrophobicContact CG2-CZ 3.56Å; F390-F410 HydrophobicContact CB-CD2 4.45Å; F390-F410 HydrophobicContact CB-CE2 3.56Å; F390-F410 HydrophobicContact CB-CZ 3.75Å; F390-F410 WeakPolarHBondContact O-CZ 3.46Å; F390-K413 HydrophobicContact CE1-CB 4.24Å; F390-K413 HydrophobicContact CE1-CG 3.79Å; F390-V414 HydrophobicContact CB-CG2 3.67Å; F390-V414 HydrophobicContact CD1-CG2 3.98Å; F390-V414 HydrophobicContact CD2-CG2 3.78Å; F390-V414 HydrophobicContact CE2-CG2 4.43Å; F390-V414 HydrophobicContact CG-CG2 3.53Å; F390-C417 HydrophobicContact CE2-CB 4.07Å; F390-C417 HydrophobicContact CZ-CB 3.54Å
391	H	98.4	Very high	90	Very high	10 Å²	10	51.4 Å²	51.4	5%	0.046	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	102.1	-174.6	172.8	-142.3	0	0	0	110.6	M325 T327 Y365 T366 R368 T393	M325-H391 HydrophobicContact CB-CB 4.3Å; M325-H391 CarbonylContact O-C 3.57Å; M325-H391 WeakPolarHBondContact O-CA 3.33Å; T327-H391 PolarHBondContact O-CD2 3.49Å; T327-H391 PolarHBondContact O-NE2 3.5Å; T327-H391 VanDerWaalsContact O-NE2 3.1Å; Y365-H391 CarbonylContact C-O 3.56Å; Y365-H391 WeakPolarHBondContact CA-O 3.48Å; Y365-H391 VanDerWaalsContact CB-O 3.28Å; Y365-H391 WeakPolarHBondContact CB-O 3.42Å; T366-H391 PolarHBondContact N-O 2.98Å; T366-H391 PolarHBondContact O-N 2.8Å; R368-H391 PolarHBondContact NH1-ND1 2.86Å; H391-T393 VanDerWaalsContact CE1-CG2 3.42Å; H391-T393 WeakPolarHBondContact CE1-CG2 3.47Å; H391-T393 PolarHBondContact O-N 2.69Å
392	F	97.4	Very high	90.6	Very high	1 Å²	1	46 Å²	46	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	112.9	179.2	-167.3	-100.9	0	0	0	110.6	M325 V326 D364 S394 W395 P401 M407 F410	M325-F392 PolarHBondContact O-N 2.88Å; V326-F392 HydrophobicContact CG1-CB 3.93Å; D364-F392 HydrophobicContact CB-CE2 4.14Å; D364-F392 WeakPolarHBondContact O-CD2 3.43Å; F392-S394 WeakPolarHBondContact CE1-OG 3.45Å; F392-S394 WeakPolarHBondContact CZ-OG 3.31Å; F392-W395 HydrophobicContact CD1-CB 3.95Å; F392-W395 HydrophobicContact CD1-CE3 4.34Å; F392-W395 HydrophobicContact CE1-CB 3.92Å; F392-W395 HydrophobicContact CE1-CE3 4.28Å; F392-P401 HydrophobicContact CE1-CG 3.99Å; F392-P401 HydrophobicContact CZ-CG 4.3Å; F392-M407 HydrophobicContact CD1-CE 3.65Å; F392-M407 HydrophobicContact CD2-CE 4.05Å; F392-M407 HydrophobicContact CE1-CE 3.57Å; F392-M407 HydrophobicContact CE2-CE 3.99Å; F392-M407 HydrophobicContact CG-CE 3.89Å; F392-M407 HydrophobicContact CZ-CE 3.75Å; F392-F410 HydrophobicContact CB-CD1 4.29Å; F392-F410 HydrophobicContact CB-CD2 4.21Å; F392-F410 HydrophobicContact CB-CE1 3.92Å; F392-F410 HydrophobicContact CB-CE2 3.79Å; F392-F410 HydrophobicContact CB-CG 4.43Å; F392-F410 HydrophobicContact CB-CZ 3.65Å; F392-F410 HydrophobicContact CD2-CB 3.89Å; F392-F410 AromaticContact CD2-CD1 3.99Å; F392-F410 HydrophobicContact CD2-CD1 3.99Å; F392-F410 AromaticContact CD2-CD2 3.88Å; F392-F410 HydrophobicContact CD2-CD2 3.88Å; F392-F410 HydrophobicContact CD2-CE1 4.47Å; F392-F410 HydrophobicContact CD2-CE2 4.33Å; F392-F410 AromaticContact CD2-CG 3.67Å; F392-F410 HydrophobicContact CD2-CG 3.67Å; F392-F410 HydrophobicContact CE2-CB 4.2Å; F392-F410 HydrophobicContact CE2-CG 4.45Å; F392-F410 HydrophobicContact CG-CD1 4.42Å; F392-F410 HydrophobicContact CG-CG 4.45Å
393	T	94.6	Very high	90.9	Very high	37 Å²	37	43.8 Å²	43.8	23%	0.227	24%	0.236	C	C	.	.			trans	-101.1	-22.5	-169.8	45.9	0	0	0	0	113.3	N328 D364 Y365 H391 W395	N328-T393 PolarHBondContact ND2-O 2.84Å; D364-T393 PolarHBondContact O-N 2.84Å; D364-T393 PolarHBondContact O-OG1 2.85Å; D364-T393 VanDerWaalsContact O-OG1 3.13Å; Y365-T393 PolarHBondContact N-OG1 3.16Å; H391-T393 VanDerWaalsContact CE1-CG2 3.42Å; H391-T393 WeakPolarHBondContact CE1-CG2 3.47Å; H391-T393 PolarHBondContact O-N 2.69Å; T393-W395 PolarHBondContact O-N 2.85Å
394	S	91.9	Very high	91.2	Very high	15 Å²	15	39.6 Å²	39.6	11%	0.105	21%	0.209	C	C	.	.			trans	-84	1.5	-174	66.1	0	0	0	0	115.8	D364 F392 P396	D364-S394 PolarHBondContact O-N 2.87Å; D364-S394 WeakPolarHBondContact OD1-CB 3.39Å; D364-S394 PolarHBondContact OD1-OG 3.23Å; F392-S394 WeakPolarHBondContact CE1-OG 3.45Å; F392-S394 WeakPolarHBondContact CZ-OG 3.31Å; S394-P396 WeakPolarHBondContact O-CD 3.48Å
395	W	93.4	Very high	91	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.015	19%	0.189	C	C	.	.			trans	-70.7	120.3	172.7	-157	-49.5	0	0	0	110.5	F392 T393 G399 V400 P401 M407 R435 T438 Q477 F480	F392-W395 HydrophobicContact CD1-CB 3.95Å; F392-W395 HydrophobicContact CD1-CE3 4.34Å; F392-W395 HydrophobicContact CE1-CB 3.92Å; F392-W395 HydrophobicContact CE1-CE3 4.28Å; T393-W395 PolarHBondContact O-N 2.85Å; W395-G399 PolarHBondContact NE1-O 3.09Å; W395-V400 HydrophobicContact CZ2-CB 4.44Å; W395-V400 HydrophobicContact CZ2-CG1 3.98Å; W395-P401 HydrophobicContact CB-CG 4.47Å; W395-P401 HydrophobicContact CD2-CG 4.13Å; W395-P401 HydrophobicContact CE3-CG 4.36Å; W395-P401 HydrophobicContact CG-CG 4.21Å; W395-M407 HydrophobicContact CE3-CE 3.85Å; W395-M407 HydrophobicContact CZ3-CE 3.8Å; W395-R435 HydrophobicContact CD2-CB 4.45Å; W395-R435 VanDerWaalsContact CD2-CD 3.49Å; W395-R435 HydrophobicContact CD2-CG 3.73Å; W395-R435 HydrophobicContact CE3-CB 4.14Å; W395-R435 HydrophobicContact CE3-CG 3.93Å; W395-R435 HydrophobicContact CG-CG 4.36Å; W395-R435 HydrophobicContact CH2-CB 4.13Å; W395-R435 HydrophobicContact CH2-CG 3.96Å; W395-R435 HydrophobicContact CZ2-CB 4.44Å; W395-R435 HydrophobicContact CZ2-CG 3.77Å; W395-R435 HydrophobicContact CZ3-CB 3.96Å; W395-R435 HydrophobicContact CZ3-CG 4.04Å; W395-T438 HydrophobicContact CH2-CG2 3.68Å; W395-T438 HydrophobicContact CZ3-CG2 4.36Å; W395-Q477 HydrophobicContact CZ2-CG 4.13Å; W395-F480 HydrophobicContact CH2-CD1 4.27Å; W395-F480 HydrophobicContact CH2-CE1 4.39Å
396	P	86.5	Confident	90.8	Very high	50 Å²	50	31.7 Å²	31.7	33%	0.325	18%	0.176	S	C	.	.			trans	-69.7	155.7	-178.2	28.2	-36.4	0	0	0	114	S394 F398 V400 R435	S394-P396 WeakPolarHBondContact O-CD 3.48Å; P396-F398 VanDerWaalsContact CG-O 3.3Å; P396-F398 WeakPolarHBondContact CG-O 3.47Å; P396-F398 PolarHBondContact O-N 2.82Å; P396-V400 WeakPolarHBondContact CG-O 3.38Å; P396-R435 PolarHBondContact O-NH2 2.93Å
397	D	73	Confident	90.7	Very high	63 Å²	63	27.2 Å²	27.2	34%	0.337	15%	0.153	S	C	.	.	S	Bend	trans	-53.5	-32.6	173.1	-65.1	7.5	0	0	0	113	E331 R332	E331-D397 HydrophobicContact CB-CB 4.47Å; E331-D397 WeakPolarHBondContact CB-OD1 3.48Å; E331-D397 WeakPolarHBondContact CG-OD1 3.43Å; R332-D397 HydrophobicContact CG-CB 4.28Å; R332-D397 WeakPolarHBondContact CG-OD2 3.43Å; R332-D397 PolarHBondContact N-OD2 2.94Å; R332-D397 IonicContact NE-OD2 3.52Å
398	F	75.3	Confident	90.5	Very high	146 Å²	146	28 Å²	28	64%	0.64	16%	0.157	S	C	*	.	S	Bend	trans	-124.1	137.1	176.7	-72	-20.8	0	0	0	110.9	R332 P396	R332-F398 VanDerWaalsContact NH1-CE2 3.32Å; P396-F398 VanDerWaalsContact CG-O 3.3Å; P396-F398 WeakPolarHBondContact CG-O 3.47Å; P396-F398 PolarHBondContact O-N 2.82Å
399	G	88.3	Confident	90.2	Very high	40 Å²	40	28.9 Å²	28.9	41%	0.412	16%	0.159	S	C	.	.	S	Bend	trans	75.4	-134	177.2	0	0	0	0	0	113.5	W395	W395-G399 PolarHBondContact NE1-O 3.09Å
400	V	92.1	Very high	90	Very high	24 Å²	24	28.9 Å²	28.9	15%	0.145	16%	0.159	C	C	.	.			trans	-141.1	160.4	-169.8	-61.7	0	0	0	0	110	W395 P396 M476 Q477 F480	W395-V400 HydrophobicContact CZ2-CB 4.44Å; W395-V400 HydrophobicContact CZ2-CG1 3.98Å; P396-V400 WeakPolarHBondContact CG-O 3.38Å; V400-M476 HydrophobicContact CG1-CB 4.23Å; V400-M476 WeakPolarHBondContact CG1-O 3.47Å; V400-Q477 HydrophobicContact CG1-CG 4.5Å; V400-F480 HydrophobicContact CB-CB 4.01Å; V400-F480 HydrophobicContact CB-CD2 3.79Å; V400-F480 HydrophobicContact CB-CE2 4.44Å; V400-F480 HydrophobicContact CB-CG 3.92Å; V400-F480 HydrophobicContact CG1-CB 3.87Å; V400-F480 HydrophobicContact CG1-CG 4.22Å; V400-F480 HydrophobicContact CG2-CB 4.13Å; V400-F480 HydrophobicContact CG2-CD2 3.83Å; V400-F480 HydrophobicContact CG2-CG 4.24Å
401	P	90.4	Very high	89.8	Confident	10 Å²	10	29.1 Å²	29.1	7%	0.065	16%	0.16	C	C	.	.			trans	-52.7	140.6	173.8	-25.3	34	0	0	0	111.8	F392 W395 T403 F480	F392-P401 HydrophobicContact CE1-CG 3.99Å; F392-P401 HydrophobicContact CZ-CG 4.3Å; W395-P401 HydrophobicContact CB-CG 4.47Å; W395-P401 HydrophobicContact CD2-CG 4.13Å; W395-P401 HydrophobicContact CE3-CG 4.36Å; W395-P401 HydrophobicContact CG-CG 4.21Å; P401-T403 PolarHBondContact O-N 3.35Å; P401-F480 HydrophobicContact CB-CE2 3.89Å; P401-F480 HydrophobicContact CB-CZ 3.87Å; P401-F480 HydrophobicContact CG-CE1 4.35Å; P401-F480 HydrophobicContact CG-CE2 4.07Å; P401-F480 HydrophobicContact CG-CZ 3.68Å; P401-F480 WeakPolarHBondContact O-CE2 3.49Å
402	F	79.3	Confident	89.5	Confident	91 Å²	91	30.8 Å²	30.8	40%	0.399	17%	0.167	S	C	.	.	S	Bend	trans	-64.5	-26.8	-178	174.1	-125	0	0	0	113.2	F559 L756	F402-F559 HydrophobicContact CD1-CE2 4.17Å; F402-F559 AromaticContact CD1-CZ 3.99Å; F402-F559 HydrophobicContact CD1-CZ 3.99Å; F402-F559 AromaticContact CE1-CE1 3.94Å; F402-F559 HydrophobicContact CE1-CE1 3.94Å; F402-F559 HydrophobicContact CE1-CE2 4.09Å; F402-F559 AromaticContact CE1-CZ 3.44Å; F402-F559 HydrophobicContact CE1-CZ 3.44Å; F402-F559 VanDerWaalsContact CE1-CZ 3.44Å; F402-F559 AromaticContact CZ-CE1 3.96Å; F402-F559 HydrophobicContact CZ-CE1 3.96Å; F402-F559 AromaticContact CZ-CZ 3.97Å; F402-F559 HydrophobicContact CZ-CZ 3.97Å; F402-L756 HydrophobicContact CE1-CB 4.14Å; F402-L756 WeakPolarHBondContact CE1-O 3.4Å
403	T	84.6	Confident	89.3	Confident	27 Å²	27	33.9 Å²	33.9	17%	0.166	18%	0.18	C	C	.	.	S	Bend	trans	-130.5	138.6	173.4	175.2	0	0	0	0	109.9	P401 I405	P401-T403 PolarHBondContact O-N 3.35Å; T403-I405 VanDerWaalsContact C-N 3.26Å; T403-I405 HydrophobicContact CG2-CG2 3.87Å; T403-I405 PolarHBondContact O-N 3.19Å; T403-I405 WeakPolarHBondContact OG1-CG2 3.45Å; T403-I405 PolarHBondContact OG1-N 3.34Å
404	P	92.2	Very high	89.3	Confident	12 Å²	12	32.1 Å²	32.1	8%	0.078	17%	0.17	C	C	.	.	S	Bend	trans	-74.3	-11.6	177.3	29.1	-34.5	0	0	0	114.1	G406 M407 L408 F480 Q483 A484 E487	P404-G406 VanDerWaalsContact C-N 3.32Å; P404-G406 PolarHBondContact O-N 3.43Å; P404-M407 WeakPolarHBondContact O-CB 3.38Å; P404-M407 PolarHBondContact O-N 3.1Å; P404-L408 PolarHBondContact O-N 3.31Å; P404-F480 HydrophobicContact CB-CE2 4.03Å; P404-F480 HydrophobicContact CB-CZ 4.1Å; P404-Q483 HydrophobicContact CG-CB 4.43Å; P404-A484 HydrophobicContact CB-CB 3.75Å; P404-E487 HydrophobicContact CG-CB 3.69Å; P404-E487 HydrophobicContact CG-CG 3.88Å
405	I	89	Confident	89.4	Confident	19 Å²	19	34.7 Å²	34.7	10%	0.097	18%	0.179	C	C	.	.	H	α-helix	trans	-61	-37.5	-172	-169.3	55.5	0	0	0	113.5	T403 M407 L408 K409 Q749	T403-I405 VanDerWaalsContact C-N 3.26Å; T403-I405 HydrophobicContact CG2-CG2 3.87Å; T403-I405 PolarHBondContact O-N 3.19Å; T403-I405 WeakPolarHBondContact OG1-CG2 3.45Å; T403-I405 PolarHBondContact OG1-N 3.34Å; I405-M407 VanDerWaalsContact C-N 3.3Å; I405-M407 PolarHBondContact O-N 3.47Å; I405-L408 HydrophobicContact CD1-CB 4.41Å; I405-L408 HydrophobicContact CD1-CD1 4.49Å; I405-L408 PolarHBondContact O-N 3.39Å; I405-K409 HydrophobicContact CD1-CG 4.18Å; I405-K409 HydrophobicContact CG1-CD 4.23Å; I405-K409 HydrophobicContact CG1-CG 4.31Å; I405-K409 WeakPolarHBondContact O-CG 3.23Å; I405-K409 PolarHBondContact O-N 3.15Å; I405-Q749 HydrophobicContact CD1-CB 4.43Å; I405-Q749 VanDerWaalsContact CD1-CD 3.45Å; I405-Q749 HydrophobicContact CD1-CG 3.76Å; I405-Q749 HydrophobicContact CG1-CB 4.1Å; I405-Q749 HydrophobicContact CG1-CG 3.95Å
406	G	90.2	Very high	89.3	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-60	-40.8	175.5	0	0	0	0	0	112.1	D364 P404 F410	D364-G406 WeakPolarHBondContact OD2-CA 3.25Å; P404-G406 VanDerWaalsContact C-N 3.32Å; P404-G406 PolarHBondContact O-N 3.43Å; G406-F410 WeakPolarHBondContact O-CB 3.45Å; G406-F410 PolarHBondContact O-N 2.81Å
407	M	95.1	Very high	89.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-68	-40.9	175.9	-177.4	57.5	50.4	0	0	111.9	V326 F392 W395 P404 I405 F410 L411 F439 I442 F480	V326-M407 HydrophobicContact CG1-CE 4.47Å; F392-M407 HydrophobicContact CD1-CE 3.65Å; F392-M407 HydrophobicContact CD2-CE 4.05Å; F392-M407 HydrophobicContact CE1-CE 3.57Å; F392-M407 HydrophobicContact CE2-CE 3.99Å; F392-M407 HydrophobicContact CG-CE 3.89Å; F392-M407 HydrophobicContact CZ-CE 3.75Å; W395-M407 HydrophobicContact CE3-CE 3.85Å; W395-M407 HydrophobicContact CZ3-CE 3.8Å; P404-M407 WeakPolarHBondContact O-CB 3.38Å; P404-M407 PolarHBondContact O-N 3.1Å; I405-M407 VanDerWaalsContact C-N 3.3Å; I405-M407 PolarHBondContact O-N 3.47Å; M407-F410 HydrophobicContact SD-CD1 4.13Å; M407-L411 WeakPolarHBondContact O-CB 3.45Å; M407-L411 PolarHBondContact O-N 3.17Å; M407-F439 HydrophobicContact SD-CD2 3.84Å; M407-I442 HydrophobicContact CG-CD1 4.01Å; M407-F480 HydrophobicContact CB-CE1 4.15Å; M407-F480 HydrophobicContact CB-CZ 4.14Å; M407-F480 HydrophobicContact CG-CE1 4.15Å
408	L	94.1	Very high	90.6	Very high	18 Å²	18	39.8 Å²	39.8	9%	0.094	21%	0.208	C	C	.	.	H	α-helix	trans	-64.8	-44.4	176.7	-68.1	175.9	0	0	0	112	P404 I405 L411 K412 I442 L446 A484 E487 H488	P404-L408 PolarHBondContact O-N 3.31Å; I405-L408 HydrophobicContact CD1-CB 4.41Å; I405-L408 HydrophobicContact CD1-CD1 4.49Å; I405-L408 PolarHBondContact O-N 3.39Å; L408-L411 PolarHBondContact O-N 2.82Å; L408-K412 WeakPolarHBondContact O-CB 3.41Å; L408-K412 PolarHBondContact O-N 3.27Å; L408-I442 HydrophobicContact CD2-CG2 4.13Å; L408-L446 HydrophobicContact CD2-CD1 3.97Å; L408-L446 HydrophobicContact CD2-CD2 4.49Å; L408-A484 HydrophobicContact CD2-CB 4.2Å; L408-E487 HydrophobicContact CD1-CB 3.97Å; L408-E487 HydrophobicContact CD1-CG 3.44Å; L408-E487 VanDerWaalsContact CD1-CG 3.44Å; L408-H488 HydrophobicContact CD1-CB 4.21Å; L408-H488 HydrophobicContact CD2-CB 4.48Å
409	K	90.5	Very high	91.5	Very high	38 Å²	38	34.1 Å²	34.1	17%	0.165	19%	0.186	C	C	.	.	H	α-helix	trans	-65.6	-43.3	176.7	-72.6	-174	174	-169.5	0	112.3	I405 L411 K412 K413 D746	I405-K409 HydrophobicContact CD1-CG 4.18Å; I405-K409 HydrophobicContact CG1-CD 4.23Å; I405-K409 HydrophobicContact CG1-CG 4.31Å; I405-K409 WeakPolarHBondContact O-CG 3.23Å; I405-K409 PolarHBondContact O-N 3.15Å; K409-L411 VanDerWaalsContact C-N 3.33Å; K409-L411 PolarHBondContact O-N 2.85Å; K409-K412 PolarHBondContact O-N 2.96Å; K409-K413 PolarHBondContact O-N 3.32Å; K409-D746 WeakPolarHBondContact CE-OD2 3.2Å; K409-D746 IonicContact NZ-OD2 2.79Å; K409-D746 PolarHBondContact NZ-OD2 3.5Å
410	F	94.4	Very high	91.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-56.9	-46.7	172.8	176.6	-105.6	0	0	0	111.6	V324 V326 Y365 F390 F392 G406 M407 K413 V414 F439	V324-F410 HydrophobicContact CG1-CE1 3.64Å; V324-F410 HydrophobicContact CG1-CZ 3.82Å; V326-F410 HydrophobicContact CG1-CE1 3.9Å; V326-F410 HydrophobicContact CG1-CZ 4.35Å; Y365-F410 HydrophobicContact CD1-CB 4.03Å; Y365-F410 AromaticContact CD1-CD2 3.85Å; Y365-F410 HydrophobicContact CD1-CD2 3.85Å; Y365-F410 HydrophobicContact CD1-CG 4.44Å; Y365-F410 HydrophobicContact CD2-CD2 4.04Å; Y365-F410 HydrophobicContact CE1-CB 4.22Å; Y365-F410 AromaticContact CG-CD2 3.59Å; Y365-F410 HydrophobicContact CG-CD2 3.59Å; Y365-F410 HydrophobicContact CG-CE2 4.27Å; F390-F410 HydrophobicContact CB-CD2 4.45Å; F390-F410 HydrophobicContact CB-CE2 3.56Å; F390-F410 HydrophobicContact CB-CZ 3.75Å; F390-F410 WeakPolarHBondContact O-CZ 3.46Å; F392-F410 HydrophobicContact CB-CD1 4.29Å; F392-F410 HydrophobicContact CB-CD2 4.21Å; F392-F410 HydrophobicContact CB-CE1 3.92Å; F392-F410 HydrophobicContact CB-CE2 3.79Å; F392-F410 HydrophobicContact CB-CG 4.43Å; F392-F410 HydrophobicContact CB-CZ 3.65Å; F392-F410 HydrophobicContact CD2-CB 3.89Å; F392-F410 AromaticContact CD2-CD1 3.99Å; F392-F410 HydrophobicContact CD2-CD1 3.99Å; F392-F410 AromaticContact CD2-CD2 3.88Å; F392-F410 HydrophobicContact CD2-CD2 3.88Å; F392-F410 HydrophobicContact CD2-CE1 4.47Å; F392-F410 HydrophobicContact CD2-CE2 4.33Å; F392-F410 AromaticContact CD2-CG 3.67Å; F392-F410 HydrophobicContact CD2-CG 3.67Å; F392-F410 HydrophobicContact CE2-CB 4.2Å; F392-F410 HydrophobicContact CE2-CG 4.45Å; F392-F410 HydrophobicContact CG-CD1 4.42Å; F392-F410 HydrophobicContact CG-CG 4.45Å; G406-F410 WeakPolarHBondContact O-CB 3.45Å; G406-F410 PolarHBondContact O-N 2.81Å; M407-F410 HydrophobicContact SD-CD1 4.13Å; F410-K413 PolarHBondContact O-N 2.82Å; F410-V414 HydrophobicContact CE1-CG2 4.4Å; F410-V414 HydrophobicContact CZ-CG2 4.47Å; F410-V414 WeakPolarHBondContact O-CG2 3.37Å; F410-V414 PolarHBondContact O-N 2.65Å; F410-F439 HydrophobicContact CD1-CD2 4.16Å; F410-F439 AromaticContact CD1-CE2 3.81Å; F410-F439 HydrophobicContact CD1-CE2 3.81Å; F410-F439 HydrophobicContact CE1-CD2 4Å; F410-F439 AromaticContact CE1-CE2 3.75Å; F410-F439 HydrophobicContact CE1-CE2 3.75Å
411	L	95.4	Very high	91.5	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-66.4	-41.2	178.7	-175.4	154.4	0	0	0	112.5	M407 L408 K409 V414 K415 F439 I442 D443 L446	M407-L411 WeakPolarHBondContact O-CB 3.45Å; M407-L411 PolarHBondContact O-N 3.17Å; L408-L411 PolarHBondContact O-N 2.82Å; K409-L411 VanDerWaalsContact C-N 3.33Å; K409-L411 PolarHBondContact O-N 2.85Å; L411-V414 PolarHBondContact O-N 3.13Å; L411-K415 HydrophobicContact CD2-CD 3.59Å; L411-K415 HydrophobicContact CD2-CG 4.36Å; L411-K415 WeakPolarHBondContact O-CG 3.45Å; L411-K415 PolarHBondContact O-N 2.88Å; L411-F439 HydrophobicContact CB-CE2 3.99Å; L411-F439 HydrophobicContact CD1-CD2 4.43Å; L411-F439 HydrophobicContact CD1-CE2 4.19Å; L411-F439 HydrophobicContact CG-CE2 4.1Å; L411-F439 HydrophobicContact CG-CZ 4.3Å; L411-I442 HydrophobicContact CD1-CB 4.08Å; L411-I442 HydrophobicContact CD1-CG2 3.74Å; L411-D443 HydrophobicContact CD1-CB 4.03Å; L411-L446 HydrophobicContact CD1-CD1 4.33Å; L411-L446 HydrophobicContact CD2-CD1 3.73Å
412	K	91.9	Very high	91.8	Very high	46 Å²	46	47 Å²	47	20%	0.2	24%	0.243	C	C	.	.	H	α-helix	trans	-58	-47.2	171.3	-174.9	-176.3	177.6	-172.5	0	111.1	L408 K409 V414 K415 N416 D493 E495	L408-K412 WeakPolarHBondContact O-CB 3.41Å; L408-K412 PolarHBondContact O-N 3.27Å; K409-K412 PolarHBondContact O-N 2.96Å; K412-V414 PolarHBondContact O-N 3.24Å; K412-K415 PolarHBondContact O-N 3.28Å; K412-N416 WeakPolarHBondContact O-CB 3.37Å; K412-N416 PolarHBondContact O-N 2.86Å; K412-N416 PolarHBondContact O-OD1 3.41Å; K412-D493 WeakPolarHBondContact CE-OD2 3.47Å; K412-D493 IonicContact NZ-OD1 2.73Å; K412-D493 PolarHBondContact NZ-OD1 2.99Å; K412-D493 IonicContact NZ-OD2 3.98Å; K412-D493 PolarHBondContact NZ-OD2 2.91Å; K412-E495 WeakPolarHBondContact CD-OE1 3.24Å; K412-E495 WeakPolarHBondContact CE-OE1 3.27Å; K412-E495 IonicContact NZ-OE1 3.75Å; K412-E495 PolarHBondContact NZ-OE1 2.88Å
413	K	92.3	Very high	92.6	Very high	65 Å²	65	43.6 Å²	43.6	28%	0.283	23%	0.233	S	C	.	.	H	α-helix	trans	-61.3	-44.3	177.4	-154.4	82.2	179.5	-170.1	0	111.8	F390 K409 F410 N416 C417 E742	F390-K413 HydrophobicContact CE1-CB 4.24Å; F390-K413 HydrophobicContact CE1-CG 3.79Å; K409-K413 PolarHBondContact O-N 3.32Å; F410-K413 PolarHBondContact O-N 2.82Å; K413-N416 PolarHBondContact O-N 2.93Å; K413-C417 VanDerWaalsContact O-CB 3.31Å; K413-C417 WeakPolarHBondContact O-CB 3.4Å; K413-C417 PolarHBondContact O-N 3.29Å; K413-C417 PolarHBondContact O-SG 3.17Å; K413-E742 IonicContact NZ-OE2 2.74Å; K413-E742 PolarHBondContact NZ-OE2 3.34Å
414	V	95.9	Very high	93.3	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-58.7	-47.8	175.1	168.7	0	0	0	0	111.7	T322 V324 F390 F410 L411 K412 C417 N418 F439	T322-V414 HydrophobicContact CG2-CG1 4.09Å; V324-V414 HydrophobicContact CG2-CG1 3.8Å; V324-V414 HydrophobicContact CG2-CG2 3.99Å; F390-V414 HydrophobicContact CB-CG2 3.67Å; F390-V414 HydrophobicContact CD1-CG2 3.98Å; F390-V414 HydrophobicContact CD2-CG2 3.78Å; F390-V414 HydrophobicContact CE2-CG2 4.43Å; F390-V414 HydrophobicContact CG-CG2 3.53Å; F410-V414 HydrophobicContact CE1-CG2 4.4Å; F410-V414 HydrophobicContact CZ-CG2 4.47Å; F410-V414 WeakPolarHBondContact O-CG2 3.37Å; F410-V414 PolarHBondContact O-N 2.65Å; L411-V414 PolarHBondContact O-N 3.13Å; K412-V414 PolarHBondContact O-N 3.24Å; V414-C417 PolarHBondContact O-N 2.85Å; V414-N418 WeakPolarHBondContact O-CB 3.3Å; V414-N418 PolarHBondContact O-N 3.21Å; V414-N418 VanDerWaalsContact O-N 3.16Å; V414-F439 HydrophobicContact CB-CZ 4.23Å; V414-F439 HydrophobicContact CG1-CZ 3.96Å; V414-F439 HydrophobicContact CG2-CZ 4.29Å
415	K	93.2	Very high	93.6	Very high	69 Å²	69	43.4 Å²	43.4	30%	0.3	23%	0.231	S	C	.	.	H	α-helix	trans	-64.7	-45.2	-179	-70.3	176.7	80.2	139.6	0	111.8	L411 K412 C417 D443 D447	L411-K415 HydrophobicContact CD2-CD 3.59Å; L411-K415 HydrophobicContact CD2-CG 4.36Å; L411-K415 WeakPolarHBondContact O-CG 3.45Å; L411-K415 PolarHBondContact O-N 2.88Å; K412-K415 PolarHBondContact O-N 3.28Å; K415-C417 VanDerWaalsContact C-N 3.31Å; K415-C417 PolarHBondContact O-N 3.24Å; K415-D443 VanDerWaalsContact CD-OD1 3.31Å; K415-D443 WeakPolarHBondContact CD-OD1 3.14Å; K415-D443 VanDerWaalsContact CE-OD1 3.29Å; K415-D443 WeakPolarHBondContact CE-OD1 3.27Å; K415-D443 IonicContact NZ-OD1 3.23Å; K415-D443 PolarHBondContact NZ-OD1 2.94Å; K415-D447 VanDerWaalsContact NZ-CG 3.32Å; K415-D447 IonicContact NZ-OD1 3Å; K415-D447 PolarHBondContact NZ-OD1 2.73Å; K415-D447 IonicContact NZ-OD2 3.75Å; K415-D447 PolarHBondContact NZ-OD2 2.77Å
416	N	91.5	Very high	94	Very high	125 Å²	125	42.5 Å²	42.5	67%	0.668	23%	0.227	S	C	*	.	H	α-helix	trans	-70.4	-26.7	-177.9	-68.4	14.2	0	0	0	113	K412 K413	K412-N416 WeakPolarHBondContact O-CB 3.37Å; K412-N416 PolarHBondContact O-N 2.86Å; K412-N416 PolarHBondContact O-OD1 3.41Å; K413-N416 PolarHBondContact O-N 2.93Å
417	C	92.9	Very high	94.5	Very high	57 Å²	57	42.5 Å²	42.5	39%	0.385	23%	0.226	S	C	.	.	H	α-helix	trans	-93.3	-11.2	179.7	-65.6	0	0	0	0	114.7	F390 K413 V414 K415 P419	F390-C417 HydrophobicContact CE2-CB 4.07Å; F390-C417 HydrophobicContact CZ-CB 3.54Å; K413-C417 VanDerWaalsContact O-CB 3.31Å; K413-C417 WeakPolarHBondContact O-CB 3.4Å; K413-C417 PolarHBondContact O-N 3.29Å; K413-C417 PolarHBondContact O-SG 3.17Å; V414-C417 PolarHBondContact O-N 2.85Å; K415-C417 VanDerWaalsContact C-N 3.31Å; K415-C417 PolarHBondContact O-N 3.24Å; C417-P419 WeakPolarHBondContact O-CD 3.34Å
418	N	94.3	Very high	94.6	Very high	42 Å²	42	42.5 Å²	42.5	23%	0.225	23%	0.226	C	C	.	.	S	Bend	trans	-80.9	114.8	179.5	-177.7	77.7	0	0	0	111	T322 V414 I425	T322-N418 VanDerWaalsContact CB-OD1 3.28Å; T322-N418 WeakPolarHBondContact CB-OD1 3.39Å; T322-N418 PolarHBondContact OG1-OD1 3.47Å; V414-N418 WeakPolarHBondContact O-CB 3.3Å; V414-N418 PolarHBondContact O-N 3.21Å; V414-N418 VanDerWaalsContact O-N 3.16Å; N418-I425 HydrophobicContact CB-CD1 4.13Å; N418-I425 WeakPolarHBondContact OD1-CG1 3.39Å
419	P	93.8	Very high	94.8	Very high	27 Å²	27	42 Å²	42	18%	0.175	23%	0.225	C	C	.	.			trans	-70.4	146	-175.3	26	-30.7	0	0	0	112.1	A321 C417 Y421 A422	A321-P419 HydrophobicContact CB-CG 3.68Å; C417-P419 WeakPolarHBondContact O-CD 3.34Å; P419-Y421 HydrophobicContact CB-CD1 4.04Å; P419-Y421 HydrophobicContact CB-CE1 3.57Å; P419-Y421 HydrophobicContact CB-CE2 4.15Å; P419-Y421 HydrophobicContact CG-CE1 4.37Å; P419-Y421 HydrophobicContact CG-CE2 4.08Å; P419-Y421 PolarHBondContact O-N 3.31Å; P419-A422 HydrophobicContact CG-CB 4.18Å; P419-A422 WeakPolarHBondContact O-CB 3.26Å; P419-A422 PolarHBondContact O-N 3.41Å
420	P	90.6	Very high	95.1	Very high	139 Å²	139	40.8 Å²	40.8	90%	0.903	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-6.9	-172.8	29	-36.9	0	0	0	114.8
421	Y	90.9	Very high	95.2	Very high	181 Å²	181	41.3 Å²	41.3	71%	0.71	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.2	2.1	173.6	61.1	-101.7	0	0	0	113.3	N319 P419	N319-Y421 PolarHBondContact ND2-O 3Å; P419-Y421 HydrophobicContact CB-CD1 4.04Å; P419-Y421 HydrophobicContact CB-CE1 3.57Å; P419-Y421 HydrophobicContact CB-CE2 4.15Å; P419-Y421 HydrophobicContact CG-CE1 4.37Å; P419-Y421 HydrophobicContact CG-CE2 4.08Å; P419-Y421 PolarHBondContact O-N 3.31Å
422	A	95	Very high	95.3	Very high	25 Å²	25	41.1 Å²	41.1	21%	0.207	22%	0.224	C	C	.	.			trans	-65.6	151.6	176.8	0	0	0	0	0	111.5	A321 P419	A321-A422 HydrophobicContact CB-CB 3.72Å; P419-A422 HydrophobicContact CG-CB 4.18Å; P419-A422 WeakPolarHBondContact O-CB 3.26Å; P419-A422 PolarHBondContact O-N 3.41Å
423	G	96.8	Very high	95.6	Very high	18 Å²	18	38.9 Å²	38.9	19%	0.186	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-75.4	-174.4	156.2	0	0	0	0	0	112	Q318 N319	Q318-G423 WeakPolarHBondContact O-CA 3.17Å; N319-G423 PolarHBondContact O-N 3.18Å
424	P	98.3	Very high	95.8	Very high	25 Å²	25	35.9 Å²	35.9	16%	0.162	20%	0.201	C	C	.	.			trans	-53.9	142.1	-170.3	-29.5	37.2	0	0	0	114.7	F287 N295 K296 I298 T320 V426	F287-P424 HydrophobicContact CD1-CG 4.38Å; F287-P424 HydrophobicContact CE1-CG 4.24Å; N295-P424 WeakPolarHBondContact O-CB 3.47Å; N295-P424 VanDerWaalsContact O-CG 3.28Å; N295-P424 WeakPolarHBondContact O-CG 3.36Å; K296-P424 WeakPolarHBondContact O-CA 3.43Å; I298-P424 HydrophobicContact CD1-CB 3.88Å; I298-P424 HydrophobicContact CD1-CG 4.32Å; I298-P424 HydrophobicContact CG1-CB 3.82Å; I298-P424 HydrophobicContact CG1-CG 4.47Å; T320-P424 WeakPolarHBondContact CB-O 3.34Å; T320-P424 WeakPolarHBondContact CG2-O 3.28Å; T320-P424 PolarHBondContact OG1-O 3.37Å; P424-V426 PolarHBondContact O-N 3.42Å
425	I	98.8	Very high	95.9	Very high	11 Å²	11	37 Å²	37	6%	0.056	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	120.9	175.3	-60.6	174.2	0	0	0	108.6	K296 F297 I298 T322 V324 N418 V427	K296-I425 PolarHBondContact O-N 3.14Å; F297-I425 CarbonylContact C-O 3.57Å; F297-I425 VanDerWaalsContact CA-O 3.3Å; F297-I425 WeakPolarHBondContact CA-O 3.18Å; F297-I425 HydrophobicContact CD1-CB 3.76Å; F297-I425 HydrophobicContact CD1-CG2 4.11Å; F297-I425 HydrophobicContact CE1-CB 3.99Å; F297-I425 HydrophobicContact CE1-CD1 4.1Å; F297-I425 HydrophobicContact CE1-CG2 4.16Å; I298-I425 PolarHBondContact N-O 2.88Å; T322-I425 HydrophobicContact CG2-CG2 4.18Å; V324-I425 HydrophobicContact CG2-CG2 3.69Å; N418-I425 HydrophobicContact CB-CD1 4.13Å; N418-I425 WeakPolarHBondContact OD1-CG1 3.39Å; I425-V427 HydrophobicContact CG2-CG2 4.12Å; I425-V427 PolarHBondContact O-N 2.92Å
426	V	98.9	Very high	96.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	113.1	-179.1	170	0	0	0	0	109.7	I298 A300 F311 M314 I315 T320 T322 I323 V324 P424	I298-V426 HydrophobicContact CB-CG2 3.89Å; I298-V426 HydrophobicContact CD1-CG2 4.02Å; I298-V426 HydrophobicContact CG2-CG2 4.17Å; A300-V426 HydrophobicContact CB-CG1 4.32Å; F311-V426 HydrophobicContact CE2-CG1 3.99Å; F311-V426 HydrophobicContact CZ-CG1 3.91Å; M314-V426 HydrophobicContact CE-CB 4.49Å; M314-V426 HydrophobicContact CE-CG1 3.74Å; M314-V426 HydrophobicContact CE-CG2 3.85Å; I315-V426 HydrophobicContact CD1-CB 3.99Å; I315-V426 HydrophobicContact CD1-CG1 4.06Å; I315-V426 HydrophobicContact CD1-CG2 3.78Å; T320-V426 HydrophobicContact CG2-CB 4.09Å; T320-V426 HydrophobicContact CG2-CG2 3.75Å; T322-V426 PolarHBondContact O-N 2.84Å; T322-V426 VanDerWaalsContact O-N 3.13Å; I323-V426 CarbonylContact C-O 3.59Å; I323-V426 WeakPolarHBondContact CA-O 3.33Å; V324-V426 PolarHBondContact N-O 2.91Å; P424-V426 PolarHBondContact O-N 3.42Å
427	V	98.9	Very high	96.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.8	-178.2	-169.4	0	0	0	0	109.6	F297 I298 A299 A300 V324 V326 I425 T436 F439 I440	F297-V427 HydrophobicContact CD1-CG2 3.6Å; F297-V427 HydrophobicContact CE1-CG2 4.17Å; F297-V427 HydrophobicContact CG-CG2 4.41Å; I298-V427 PolarHBondContact O-N 2.95Å; A299-V427 WeakPolarHBondContact CA-O 3.36Å; A300-V427 PolarHBondContact N-O 3.03Å; V324-V427 HydrophobicContact CB-CB 4.32Å; V324-V427 HydrophobicContact CB-CG1 4.1Å; V324-V427 HydrophobicContact CB-CG2 4.1Å; V324-V427 HydrophobicContact CG1-CG1 4.02Å; V324-V427 HydrophobicContact CG2-CG2 4.4Å; V324-V427 CarbonylContact O-C 3.57Å; V324-V427 WeakPolarHBondContact O-CA 3.22Å; V326-V427 HydrophobicContact CG2-CG1 4.45Å; I425-V427 HydrophobicContact CG2-CG2 4.12Å; I425-V427 PolarHBondContact O-N 2.92Å; V427-T436 HydrophobicContact CB-CG2 4.06Å; V427-T436 HydrophobicContact CG1-CG2 3.88Å; V427-T436 WeakPolarHBondContact O-CG2 3.44Å; V427-F439 HydrophobicContact CG1-CB 4.32Å; V427-F439 HydrophobicContact CG1-CD1 3.84Å; V427-F439 HydrophobicContact CG1-CG 4.28Å; V427-F439 HydrophobicContact CG2-CD1 4.01Å; V427-F439 HydrophobicContact CG2-CE1 4.14Å; V427-I440 HydrophobicContact CB-CD1 4.26Å; V427-I440 HydrophobicContact CB-CG1 4.46Å; V427-I440 HydrophobicContact CG2-CD1 4.29Å; V427-I440 HydrophobicContact CG2-CG1 4.16Å
428	H	98.8	Very high	96.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	156.9	-179.1	83.8	92.6	0	0	0	113.5	A300 G302 V324 M325 V326 Y340 T436	A300-H428 HydrophobicContact CB-CB 4.29Å; A300-H428 WeakPolarHBondContact O-CA 3.36Å; A300-H428 WeakPolarHBondContact O-CB 3.44Å; G302-H428 WeakPolarHBondContact CA-ND1 3.5Å; V324-H428 PolarHBondContact O-N 2.7Å; M325-H428 VanDerWaalsContact CB-NE2 3.34Å; M325-H428 WeakPolarHBondContact CB-NE2 3.35Å; M325-H428 WeakPolarHBondContact CG-CE1 3.35Å; M325-H428 WeakPolarHBondContact CG-NE2 3.42Å; V326-H428 VanDerWaalsContact CG2-O 3.3Å; V326-H428 WeakPolarHBondContact CG2-O 3.41Å; V326-H428 PolarHBondContact N-O 3.31Å; Y340-H428 AromaticContact CE1-CE1 3.65Å; Y340-H428 AromaticContact CE1-NE2 3.39Å; Y340-H428 WeakPolarHBondContact CE1-NE2 3.2Å; Y340-H428 AromaticContact CZ-NE2 3.48Å; Y340-H428 PolarHBondContact OH-NE2 2.66Å; H428-T436 VanDerWaalsContact C-OG1 3.29Å; H428-T436 WeakPolarHBondContact CA-OG1 3.44Å
429	C	96.8	Very high	97	Very high	9 Å²	9	23.1 Å²	23.1	6%	0.061	13%	0.131	C	C	.	.	S	Bend	trans	-130	-131.1	166.3	66.8	0	0	0	0	108.3	G302 V326 G432 R435 T436	G302-C429 WeakPolarHBondContact CA-O 3.5Å; G302-C429 PolarHBondContact N-O 3.12Å; V326-C429 HydrophobicContact CG2-CB 4.21Å; V326-C429 WeakPolarHBondContact O-CB 3.45Å; C429-G432 PolarHBondContact SG-N 2.86Å; C429-R435 HydrophobicContact CB-CB 4.11Å; C429-T436 PolarHBondContact N-OG1 2.99Å
430	S	96.8	Very high	97.2	Very high	12 Å²	12	21.8 Å²	21.8	8%	0.084	12%	0.122	C	C	.	.	S	Bend	trans	-77.6	-66	163.3	-175.9	0	0	0	0	111.2	R257 Y258 G302 K336	R257-S430 WeakPolarHBondContact CD-OG 3.41Å; Y258-S430 VanDerWaalsContact CE2-OG 3.32Å; Y258-S430 WeakPolarHBondContact CE2-OG 3.49Å; Y258-S430 PolarHBondContact OH-OG 3.28Å; G302-S430 PolarHBondContact N-O 3.45Å; K336-S430 WeakPolarHBondContact O-CA 3.44Å; K336-S430 WeakPolarHBondContact O-CB 3.49Å; K336-S430 PolarHBondContact O-OG 2.83Å
431	A	97.1	Very high	97.6	Very high	11 Å²	11	15.2 Å²	15.2	9%	0.091	8%	0.079	C	C	.	.	S	Bend	trans	-86.5	-13.4	-176.6	0	0	0	0	0	114.7	Y258 I261 V433 R468	Y258-A431 HydrophobicContact CD2-CB 3.67Å; Y258-A431 HydrophobicContact CE2-CB 3.7Å; I261-A431 HydrophobicContact CG1-CB 4.22Å; I261-A431 HydrophobicContact CG2-CB 4.24Å; I261-A431 WeakPolarHBondContact CG2-O 3.49Å; A431-V433 HydrophobicContact CB-CG2 4.08Å; A431-R468 PolarHBondContact O-NH2 3.23Å
432	G	97.5	Very high	98	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	5%	0.046	C	C	.	.	S	Bend	trans	73.5	27.5	-178.3	0	0	0	0	0	115.1	A300 C429 R468	A300-G432 WeakPolarHBondContact O-CA 3.39Å; C429-G432 PolarHBondContact SG-N 2.86Å; G432-R468 PolarHBondContact O-NE 2.82Å
433	V	98	Very high	98.1	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	4%	0.036	C	C	.	.	S	Bend	trans	-134.4	-46	-176.5	-59.3	0	0	0	0	114.7	I261 A431 G437 R468 S469 Q470 M471 V472 Q473	I261-V433 HydrophobicContact CD1-CG2 4.25Å; I261-V433 HydrophobicContact CG2-CG1 3.59Å; I261-V433 HydrophobicContact CG2-CG2 4.27Å; A431-V433 HydrophobicContact CB-CG2 4.08Å; V433-G437 WeakPolarHBondContact O-CA 3.46Å; V433-G437 PolarHBondContact O-N 2.92Å; V433-R468 HydrophobicContact CG1-CG 4.18Å; V433-S469 WeakPolarHBondContact CG1-O 3.45Å; V433-Q470 HydrophobicContact CG2-CB 4.31Å; V433-M471 HydrophobicContact CB-SD 4.25Å; V433-M471 HydrophobicContact CG1-SD 4.29Å; V433-V472 PolarHBondContact O-N 2.51Å; V433-Q473 HydrophobicContact CG2-CB 4.47Å
434	G	96.8	Very high	98.2	Very high	1 Å²	1	4.6 Å²	4.6	1%	0.01	3%	0.027	C	C	.	.	H	α-helix	trans	-73.6	-84.9	-175.5	0	0	0	0	0	113.9	T436 G437 T438 Q477	G434-T436 VanDerWaalsContact C-N 3.25Å; G434-T436 PolarHBondContact O-N 3.39Å; G434-G437 PolarHBondContact O-N 3.28Å; G434-G437 VanDerWaalsContact O-N 3.13Å; G434-T438 PolarHBondContact O-N 2.7Å; G434-T438 PolarHBondContact O-OG1 2.71Å; G434-Q477 VanDerWaalsContact C-OE1 3.26Å
435	R	98.1	Very high	98.2	Very high	24 Å²	24	3.4 Å²	3.4	9%	0.091	2%	0.02	C	C	.	.	H	α-helix	trans	-55.8	-39.1	175.1	-59.4	-176.9	-180	145.1	-5.8	112.3	V326 T327 E331 W395 P396 C429 T438 F439	V326-R435 HydrophobicContact CB-CB 4.2Å; V326-R435 HydrophobicContact CG2-CB 3.87Å; V326-R435 WeakPolarHBondContact O-CD 3.39Å; T327-R435 PolarHBondContact OG1-NH1 2.97Å; E331-R435 IonicContact OE1-CZ 2.63Å; E331-R435 IonicContact OE1-NH1 2.68Å; E331-R435 PolarHBondContact OE1-NH1 2.62Å; E331-R435 IonicContact OE1-NH2 3.68Å; E331-R435 PolarHBondContact OE1-NH2 3.09Å; E331-R435 IonicContact OE2-NH1 3.13Å; E331-R435 IonicContact OE2-NH2 3.85Å; W395-R435 HydrophobicContact CD2-CB 4.45Å; W395-R435 VanDerWaalsContact CD2-CD 3.49Å; W395-R435 HydrophobicContact CD2-CG 3.73Å; W395-R435 HydrophobicContact CE3-CB 4.14Å; W395-R435 HydrophobicContact CE3-CG 3.93Å; W395-R435 HydrophobicContact CG-CG 4.36Å; W395-R435 HydrophobicContact CH2-CB 4.13Å; W395-R435 HydrophobicContact CH2-CG 3.96Å; W395-R435 HydrophobicContact CZ2-CB 4.44Å; W395-R435 HydrophobicContact CZ2-CG 3.77Å; W395-R435 HydrophobicContact CZ3-CB 3.96Å; W395-R435 HydrophobicContact CZ3-CG 4.04Å; P396-R435 PolarHBondContact O-NH2 2.93Å; C429-R435 HydrophobicContact CB-CB 4.11Å; R435-T438 WeakPolarHBondContact O-CB 3.45Å; R435-T438 PolarHBondContact O-N 2.64Å; R435-F439 PolarHBondContact O-N 2.84Å
436	T	98.7	Very high	98.1	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-55.3	-51.5	172.1	-62.9	0	0	0	0	112.6	A299 V427 H428 C429 G434 T438 F439 I440	A299-T436 HydrophobicContact CB-CG2 3.67Å; V427-T436 HydrophobicContact CB-CG2 4.06Å; V427-T436 HydrophobicContact CG1-CG2 3.88Å; V427-T436 WeakPolarHBondContact O-CG2 3.44Å; H428-T436 VanDerWaalsContact C-OG1 3.29Å; H428-T436 WeakPolarHBondContact CA-OG1 3.44Å; C429-T436 PolarHBondContact N-OG1 2.99Å; G434-T436 VanDerWaalsContact C-N 3.25Å; G434-T436 PolarHBondContact O-N 3.39Å; T436-T438 VanDerWaalsContact C-N 3.31Å; T436-T438 PolarHBondContact O-N 3.49Å; T436-F439 PolarHBondContact O-N 2.91Å; T436-I440 HydrophobicContact CG2-CD1 4.09Å; T436-I440 WeakPolarHBondContact O-CG1 3.46Å; T436-I440 PolarHBondContact O-N 2.6Å
437	G	98.4	Very high	98	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-64.6	-36.8	176.4	0	0	0	0	0	112.1	V433 G434 F439 I440 V441	V433-G437 WeakPolarHBondContact O-CA 3.46Å; V433-G437 PolarHBondContact O-N 2.92Å; G434-G437 PolarHBondContact O-N 3.28Å; G434-G437 VanDerWaalsContact O-N 3.13Å; G437-F439 PolarHBondContact O-N 3.3Å; G437-I440 PolarHBondContact O-N 2.97Å; G437-V441 WeakPolarHBondContact O-CB 3.27Å; G437-V441 WeakPolarHBondContact O-CG2 3.38Å; G437-V441 PolarHBondContact O-N 3.31Å
438	T	98.7	Very high	97.9	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-60.1	-47	177.1	-50.4	0	0	0	0	111.7	W395 G434 R435 T436 V441 I442 F480 I481	W395-T438 HydrophobicContact CH2-CG2 3.68Å; W395-T438 HydrophobicContact CZ3-CG2 4.36Å; G434-T438 PolarHBondContact O-N 2.7Å; G434-T438 PolarHBondContact O-OG1 2.71Å; R435-T438 WeakPolarHBondContact O-CB 3.45Å; R435-T438 PolarHBondContact O-N 2.64Å; T436-T438 VanDerWaalsContact C-N 3.31Å; T436-T438 PolarHBondContact O-N 3.49Å; T438-V441 PolarHBondContact O-N 3.41Å; T438-I442 HydrophobicContact CG2-CD1 3.89Å; T438-I442 VanDerWaalsContact O-CG1 3.27Å; T438-I442 WeakPolarHBondContact O-CG1 3.3Å; T438-I442 PolarHBondContact O-N 2.67Å; T438-F480 HydrophobicContact CG2-CD1 3.93Å; T438-I481 HydrophobicContact CG2-CD1 4.47Å; T438-I481 HydrophobicContact CG2-CG1 3.78Å
439	F	98.7	Very high	97.8	Very high	2 Å²	2	6.2 Å²	6.2	1%	0.009	3%	0.034	C	C	.	.	H	α-helix	trans	-58.6	-50.9	175.5	178.2	-90.1	0	0	0	112.1	F297 V324 M407 F410 L411 V414 V427 R435 T436 G437 V441 I442 D443	F297-F439 HydrophobicContact CE1-CE1 4.11Å; V324-F439 HydrophobicContact CG1-CD1 4.22Å; V324-F439 HydrophobicContact CG1-CD2 4.12Å; V324-F439 HydrophobicContact CG1-CE1 4.07Å; V324-F439 HydrophobicContact CG1-CE2 3.96Å; V324-F439 HydrophobicContact CG1-CG 4.27Å; V324-F439 HydrophobicContact CG1-CZ 3.95Å; V324-F439 HydrophobicContact CG2-CE1 4.29Å; V324-F439 HydrophobicContact CG2-CZ 4.21Å; M407-F439 HydrophobicContact SD-CD2 3.84Å; F410-F439 HydrophobicContact CD1-CD2 4.16Å; F410-F439 AromaticContact CD1-CE2 3.81Å; F410-F439 HydrophobicContact CD1-CE2 3.81Å; F410-F439 HydrophobicContact CE1-CD2 4Å; F410-F439 AromaticContact CE1-CE2 3.75Å; F410-F439 HydrophobicContact CE1-CE2 3.75Å; L411-F439 HydrophobicContact CB-CE2 3.99Å; L411-F439 HydrophobicContact CD1-CD2 4.43Å; L411-F439 HydrophobicContact CD1-CE2 4.19Å; L411-F439 HydrophobicContact CG-CE2 4.1Å; L411-F439 HydrophobicContact CG-CZ 4.3Å; V414-F439 HydrophobicContact CB-CZ 4.23Å; V414-F439 HydrophobicContact CG1-CZ 3.96Å; V414-F439 HydrophobicContact CG2-CZ 4.29Å; V427-F439 HydrophobicContact CG1-CB 4.32Å; V427-F439 HydrophobicContact CG1-CD1 3.84Å; V427-F439 HydrophobicContact CG1-CG 4.28Å; V427-F439 HydrophobicContact CG2-CD1 4.01Å; V427-F439 HydrophobicContact CG2-CE1 4.14Å; R435-F439 PolarHBondContact O-N 2.84Å; T436-F439 PolarHBondContact O-N 2.91Å; G437-F439 PolarHBondContact O-N 3.3Å; F439-V441 VanDerWaalsContact C-N 3.34Å; F439-V441 PolarHBondContact O-N 2.65Å; F439-I442 PolarHBondContact O-N 2.83Å; F439-D443 PolarHBondContact O-N 2.88Å; F439-D443 VanDerWaalsContact O-N 3.08Å
440	I	98.8	Very high	97.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.2	-38.7	-177.8	-68.1	169.6	0	0	0	111.8	I288 F297 A299 V427 T436 G437 A444 F460 M471	I288-I440 HydrophobicContact CB-CD1 4.37Å; I288-I440 HydrophobicContact CG1-CD1 4.33Å; I288-I440 HydrophobicContact CG2-CD1 4.45Å; I288-I440 HydrophobicContact CG2-CG2 3.96Å; F297-I440 HydrophobicContact CB-CD1 3.86Å; F297-I440 HydrophobicContact CB-CG1 4.23Å; F297-I440 HydrophobicContact CD1-CG1 4.17Å; F297-I440 HydrophobicContact CD2-CB 4.3Å; F297-I440 HydrophobicContact CD2-CD1 4.38Å; F297-I440 HydrophobicContact CD2-CG1 3.92Å; F297-I440 HydrophobicContact CD2-CG2 3.65Å; F297-I440 HydrophobicContact CE2-CB 4.43Å; F297-I440 HydrophobicContact CE2-CG1 4.29Å; F297-I440 HydrophobicContact CE2-CG2 3.92Å; F297-I440 HydrophobicContact CG-CD1 4.06Å; F297-I440 HydrophobicContact CG-CG1 3.85Å; F297-I440 HydrophobicContact CG-CG2 4.38Å; A299-I440 HydrophobicContact CB-CD1 4.34Å; V427-I440 HydrophobicContact CB-CD1 4.26Å; V427-I440 HydrophobicContact CB-CG1 4.46Å; V427-I440 HydrophobicContact CG2-CD1 4.29Å; V427-I440 HydrophobicContact CG2-CG1 4.16Å; T436-I440 HydrophobicContact CG2-CD1 4.09Å; T436-I440 WeakPolarHBondContact O-CG1 3.46Å; T436-I440 PolarHBondContact O-N 2.6Å; G437-I440 PolarHBondContact O-N 2.97Å; I440-A444 WeakPolarHBondContact O-CB 3.49Å; I440-A444 PolarHBondContact O-N 3.34Å; I440-A444 VanDerWaalsContact O-N 3.1Å; I440-F460 HydrophobicContact CG2-CE1 4.34Å; I440-M471 HydrophobicContact CD1-CE 4.07Å
441	V	98.8	Very high	97.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-71.2	-39.2	179	-179.5	0	0	0	0	111.1	G437 T438 F439 A444 M445 V457 F460 V461 I464 V472 I481	G437-V441 WeakPolarHBondContact O-CB 3.27Å; G437-V441 WeakPolarHBondContact O-CG2 3.38Å; G437-V441 PolarHBondContact O-N 3.31Å; T438-V441 PolarHBondContact O-N 3.41Å; F439-V441 VanDerWaalsContact C-N 3.34Å; F439-V441 PolarHBondContact O-N 2.65Å; V441-A444 PolarHBondContact O-N 3.39Å; V441-M445 HydrophobicContact CG1-CG 3.88Å; V441-M445 VanDerWaalsContact O-CB 3.23Å; V441-M445 WeakPolarHBondContact O-CB 3.39Å; V441-M445 WeakPolarHBondContact O-CG 3.44Å; V441-M445 PolarHBondContact O-N 3.48Å; V441-V457 HydrophobicContact CG1-CG1 4.08Å; V441-F460 HydrophobicContact CB-CD1 4.22Å; V441-F460 HydrophobicContact CB-CE1 4.43Å; V441-F460 HydrophobicContact CG1-CD1 4.03Å; V441-F460 HydrophobicContact CG2-CD1 3.89Å; V441-F460 HydrophobicContact CG2-CE1 4.06Å; V441-V461 HydrophobicContact CG1-CG2 4.05Å; V441-V461 HydrophobicContact CG2-CG2 3.71Å; V441-I464 HydrophobicContact CG2-CD1 3.49Å; V441-I464 VanDerWaalsContact CG2-CD1 3.49Å; V441-V472 HydrophobicContact CG2-CG2 3.88Å; V441-I481 HydrophobicContact CB-CD1 3.98Å; V441-I481 HydrophobicContact CG1-CD1 3.9Å; V441-I481 HydrophobicContact CG1-CG1 4.49Å; V441-I481 HydrophobicContact CG1-CG2 3.81Å; V441-I481 HydrophobicContact CG2-CD1 4.43Å
442	I	98.6	Very high	97.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.7	-45.6	175.7	-65.1	164.9	0	0	0	109.9	M407 L408 L411 T438 F439 A444 M445 L446 F480 I481 A484	M407-I442 HydrophobicContact CG-CD1 4.01Å; L408-I442 HydrophobicContact CD2-CG2 4.13Å; L411-I442 HydrophobicContact CD1-CB 4.08Å; L411-I442 HydrophobicContact CD1-CG2 3.74Å; T438-I442 HydrophobicContact CG2-CD1 3.89Å; T438-I442 VanDerWaalsContact O-CG1 3.27Å; T438-I442 WeakPolarHBondContact O-CG1 3.3Å; T438-I442 PolarHBondContact O-N 2.67Å; F439-I442 PolarHBondContact O-N 2.83Å; I442-A444 PolarHBondContact O-N 2.99Å; I442-M445 PolarHBondContact O-N 2.91Å; I442-L446 HydrophobicContact CG2-CD1 3.78Å; I442-L446 HydrophobicContact CG2-CG 4.24Å; I442-L446 WeakPolarHBondContact O-CB 3.39Å; I442-L446 WeakPolarHBondContact O-CG 3.41Å; I442-L446 PolarHBondContact O-N 2.7Å; I442-F480 HydrophobicContact CD1-CD1 4.38Å; I442-F480 HydrophobicContact CD1-CE1 4.36Å; I442-I481 HydrophobicContact CG1-CB 4.33Å; I442-I481 HydrophobicContact CG1-CG1 4.18Å; I442-I481 HydrophobicContact CG1-CG2 4.12Å; I442-A484 HydrophobicContact CD1-CB 3.8Å; I442-A484 HydrophobicContact CG1-CB 4.13Å; I442-A484 HydrophobicContact CG2-CB 4.16Å
443	D	98.4	Very high	97.7	Very high	2 Å²	2	23 Å²	23	1%	0.011	12%	0.117	C	C	.	.	H	α-helix	trans	-55.8	-52.9	176.2	166.7	78.4	0	0	0	112.2	K296 F297 L411 K415 F439 M445 L446 D447	K296-D443 IonicContact NZ-OD1 2.77Å; K296-D443 PolarHBondContact NZ-OD1 2.9Å; K296-D443 IonicContact NZ-OD2 3.61Å; K296-D443 PolarHBondContact NZ-OD2 2.96Å; F297-D443 VanDerWaalsContact CE2-OD2 3.32Å; F297-D443 WeakPolarHBondContact CE2-OD2 3.48Å; F297-D443 HydrophobicContact CZ-CB 4.11Å; F297-D443 VanDerWaalsContact CZ-OD2 3.24Å; F297-D443 WeakPolarHBondContact CZ-OD2 3.39Å; L411-D443 HydrophobicContact CD1-CB 4.03Å; K415-D443 VanDerWaalsContact CD-OD1 3.31Å; K415-D443 WeakPolarHBondContact CD-OD1 3.14Å; K415-D443 VanDerWaalsContact CE-OD1 3.29Å; K415-D443 WeakPolarHBondContact CE-OD1 3.27Å; K415-D443 IonicContact NZ-OD1 3.23Å; K415-D443 PolarHBondContact NZ-OD1 2.94Å; F439-D443 PolarHBondContact O-N 2.88Å; F439-D443 VanDerWaalsContact O-N 3.08Å; D443-M445 VanDerWaalsContact C-N 3.33Å; D443-M445 PolarHBondContact O-N 3.41Å; D443-L446 PolarHBondContact O-N 2.87Å; D443-D447 PolarHBondContact O-N 3.36Å
444	A	98.1	Very high	97.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-66.2	-34.2	-178.1	0	0	0	0	0	112.9	Y291 I440 V441 I442 D447 M448 F460	Y291-A444 WeakPolarHBondContact CB-O 3.32Å; I440-A444 WeakPolarHBondContact O-CB 3.49Å; I440-A444 PolarHBondContact O-N 3.34Å; I440-A444 VanDerWaalsContact O-N 3.1Å; V441-A444 PolarHBondContact O-N 3.39Å; I442-A444 PolarHBondContact O-N 2.99Å; A444-D447 PolarHBondContact O-N 2.79Å; A444-M448 WeakPolarHBondContact O-CB 3.44Å; A444-M448 PolarHBondContact O-N 3.15Å; A444-F460 HydrophobicContact CB-CD1 4.14Å; A444-F460 HydrophobicContact CB-CD2 4.16Å; A444-F460 HydrophobicContact CB-CE1 3.54Å; A444-F460 HydrophobicContact CB-CE2 3.57Å; A444-F460 HydrophobicContact CB-CG 4.43Å; A444-F460 HydrophobicContact CB-CZ 3.23Å
445	M	98.4	Very high	97.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-80.1	-24.1	179	-66	-65.8	94.5	0	0	113.1	V441 I442 D443 M448 M449 V455 D456 V457 F460 L485	V441-M445 HydrophobicContact CG1-CG 3.88Å; V441-M445 VanDerWaalsContact O-CB 3.23Å; V441-M445 WeakPolarHBondContact O-CB 3.39Å; V441-M445 WeakPolarHBondContact O-CG 3.44Å; V441-M445 PolarHBondContact O-N 3.48Å; I442-M445 PolarHBondContact O-N 2.91Å; D443-M445 VanDerWaalsContact C-N 3.33Å; D443-M445 PolarHBondContact O-N 3.41Å; M445-M448 HydrophobicContact CE-CB 4Å; M445-M448 HydrophobicContact CE-SD 3.74Å; M445-M448 HydrophobicContact SD-SD 4.14Å; M445-M449 WeakPolarHBondContact O-CB 3.3Å; M445-M449 PolarHBondContact O-N 2.84Å; M445-V455 HydrophobicContact CB-CG1 4.42Å; M445-V455 HydrophobicContact SD-CB 4.27Å; M445-D456 PolarHBondContact SD-N 2.9Å; M445-V457 HydrophobicContact CG-CG2 4.23Å; M445-V457 HydrophobicContact SD-CG2 4.39Å; M445-F460 HydrophobicContact CE-CB 3.6Å; M445-F460 HydrophobicContact CE-CD1 4.43Å; M445-F460 HydrophobicContact CE-CD2 3.94Å; M445-F460 HydrophobicContact CE-CG 3.73Å; M445-F460 HydrophobicContact SD-CB 4.22Å; M445-L485 HydrophobicContact CB-CD1 3.61Å; M445-L485 HydrophobicContact CB-CD2 3.55Å; M445-L485 HydrophobicContact CB-CG 4.2Å; M445-L485 HydrophobicContact CG-CD1 4.21Å
446	L	97.2	Very high	97.7	Very high	12 Å²	12	26.6 Å²	26.6	6%	0.063	13%	0.133	C	C	.	.	H	α-helix	trans	-69.1	-43.8	165.5	-69.5	168.5	0	0	0	111	L408 L411 I442 D443 M448 M449 N450 L485 H488	L408-L446 HydrophobicContact CD2-CD1 3.97Å; L408-L446 HydrophobicContact CD2-CD2 4.49Å; L411-L446 HydrophobicContact CD1-CD1 4.33Å; L411-L446 HydrophobicContact CD2-CD1 3.73Å; I442-L446 HydrophobicContact CG2-CD1 3.78Å; I442-L446 HydrophobicContact CG2-CG 4.24Å; I442-L446 WeakPolarHBondContact O-CB 3.39Å; I442-L446 WeakPolarHBondContact O-CG 3.41Å; I442-L446 PolarHBondContact O-N 2.7Å; D443-L446 PolarHBondContact O-N 2.87Å; L446-M448 VanDerWaalsContact C-N 3.3Å; L446-M448 PolarHBondContact O-N 2.95Å; L446-M449 PolarHBondContact O-N 2.82Å; L446-N450 PolarHBondContact O-N 3.47Å; L446-N450 PolarHBondContact O-ND2 3.13Å; L446-L485 HydrophobicContact CD2-CD2 4.05Å; L446-L485 HydrophobicContact CG-CD2 4.11Å; L446-H488 HydrophobicContact CD2-CB 3.68Å; L446-H488 WeakPolarHBondContact CD2-CD2 3.42Å; L446-H488 VanDerWaalsContact CD2-CG 3.44Å
447	D	96.6	Very high	97.6	Very high	46 Å²	46	26.7 Å²	26.7	25%	0.246	13%	0.134	C	C	.	.	H	α-helix	trans	-61	-39.8	174.3	-68.3	-20.2	0	0	0	111.2	Y291 K296 K415 D443 A444 A451	Y291-D447 HydrophobicContact CD1-CB 3.66Å; Y291-D447 HydrophobicContact CG-CB 4.24Å; K296-D447 IonicContact NZ-OD2 2.93Å; K296-D447 PolarHBondContact NZ-OD2 3.2Å; K415-D447 VanDerWaalsContact NZ-CG 3.32Å; K415-D447 IonicContact NZ-OD1 3Å; K415-D447 PolarHBondContact NZ-OD1 2.73Å; K415-D447 IonicContact NZ-OD2 3.75Å; K415-D447 PolarHBondContact NZ-OD2 2.77Å; D443-D447 PolarHBondContact O-N 3.36Å; A444-D447 PolarHBondContact O-N 2.79Å; D447-A451 WeakPolarHBondContact O-CB 3.35Å; D447-A451 PolarHBondContact O-N 3.4Å
448	M	97.6	Very high	97.6	Very high	8 Å²	8	27.2 Å²	27.2	4%	0.039	14%	0.136	C	C	.	.	H	α-helix	trans	-68.7	-40.2	174.5	-169.3	-179.7	176.6	0	0	113.2	P207 Y291 A444 M445 L446 N450 A451 E452 K454 D456	P207-M448 HydrophobicContact CB-CE 4.48Å; Y291-M448 HydrophobicContact CD1-CB 4.27Å; Y291-M448 HydrophobicContact CD2-CB 3.83Å; Y291-M448 HydrophobicContact CD2-CG 4.15Å; Y291-M448 HydrophobicContact CE1-CB 4.14Å; Y291-M448 HydrophobicContact CE2-CB 3.71Å; Y291-M448 HydrophobicContact CE2-CG 3.57Å; Y291-M448 HydrophobicContact CE2-SD 4.18Å; Y291-M448 HydrophobicContact CG-CB 4.13Å; A444-M448 WeakPolarHBondContact O-CB 3.44Å; A444-M448 PolarHBondContact O-N 3.15Å; M445-M448 HydrophobicContact CE-CB 4Å; M445-M448 HydrophobicContact CE-SD 3.74Å; M445-M448 HydrophobicContact SD-SD 4.14Å; L446-M448 VanDerWaalsContact C-N 3.3Å; L446-M448 PolarHBondContact O-N 2.95Å; M448-N450 VanDerWaalsContact C-N 3.28Å; M448-N450 PolarHBondContact O-N 2.56Å; M448-A451 PolarHBondContact O-N 3.27Å; M448-E452 HydrophobicContact CG-CB 4.45Å; M448-E452 PolarHBondContact O-N 3.07Å; M448-K454 CarbonylContact C-O 3.57Å; M448-K454 HydrophobicContact CE-CB 4.12Å; M448-K454 WeakPolarHBondContact CG-O 3.48Å; M448-D456 HydrophobicContact CE-CB 3.86Å; M448-D456 HydrophobicContact SD-CB 3.74Å
449	M	96.9	Very high	97.5	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.02	14%	0.138	C	C	.	.	H	α-helix	trans	-59	-41.6	176.3	178.7	173.1	-61.3	0	0	111.4	V210 L213 M445 L446 R453 K454 V455 L485	V210-M449 HydrophobicContact CG1-CE 4.26Å; V210-M449 HydrophobicContact CG1-CG 3.8Å; V210-M449 HydrophobicContact CG1-SD 4.46Å; L213-M449 HydrophobicContact CD2-CE 3.85Å; M445-M449 WeakPolarHBondContact O-CB 3.3Å; M445-M449 PolarHBondContact O-N 2.84Å; L446-M449 PolarHBondContact O-N 2.82Å; M449-R453 VanDerWaalsContact O-CA 3.28Å; M449-R453 WeakPolarHBondContact O-CA 3.47Å; M449-R453 PolarHBondContact O-N 3.47Å; M449-K454 WeakPolarHBondContact CA-O 3.44Å; M449-K454 PolarHBondContact N-O 3.43Å; M449-V455 HydrophobicContact CB-CG1 4.12Å; M449-V455 HydrophobicContact CE-CG1 3.74Å; M449-L485 HydrophobicContact CE-CB 3.92Å; M449-L485 HydrophobicContact CE-CD2 4.06Å; M449-L485 WeakPolarHBondContact CE-O 3.35Å
450	N	95	Very high	97.5	Very high	105 Å²	105	27.6 Å²	27.6	56%	0.561	14%	0.139	S	C	*	.	H	α-helix	trans	-73.2	-39.6	178.6	-69.9	-28.9	0	0	0	112.6	L446 M448	L446-N450 PolarHBondContact O-N 3.47Å; L446-N450 PolarHBondContact O-ND2 3.13Å; M448-N450 VanDerWaalsContact C-N 3.28Å; M448-N450 PolarHBondContact O-N 2.56Å
451	A	96.2	Very high	97.5	Very high	63 Å²	63	27.6 Å²	27.6	52%	0.521	14%	0.139	S	C	.	.	H	α-helix	trans	-83.3	-39.4	-176.1	0	0	0	0	0	115.1	Y291 D447 M448	Y291-A451 HydrophobicContact CE1-CB 3.77Å; D447-A451 WeakPolarHBondContact O-CB 3.35Å; D447-A451 PolarHBondContact O-N 3.4Å; M448-A451 PolarHBondContact O-N 3.27Å
452	E	96.8	Very high	97.4	Very high	73 Å²	73	28.4 Å²	28.4	34%	0.341	14%	0.144	S	C	.	.	H	α-helix	trans	-116.3	-3.1	-172.8	-79.1	-168.1	-158.5	0	0	114.1	R197 Y291 M448 K454	R197-E452 IonicContact NH2-OE1 3.78Å; Y291-E452 WeakPolarHBondContact OH-CG 3.31Å; Y291-E452 PolarHBondContact OH-OE1 3.5Å; M448-E452 HydrophobicContact CG-CB 4.45Å; M448-E452 PolarHBondContact O-N 3.07Å; E452-K454 HydrophobicContact CB-CB 4.41Å; E452-K454 PolarHBondContact O-N 2.85Å
453	R	96.9	Very high	97.2	Very high	144 Å²	144	33.1 Å²	33.1	54%	0.543	16%	0.161	S	C	.	.	S	Bend	trans	52.3	34.3	-171.8	-61.8	-68.7	-67	175	-1.7	112.6	V210 M449	V210-R453 VanDerWaalsContact CG1-C 3.46Å; V210-R453 WeakPolarHBondContact CG1-O 3.42Å; V210-R453 HydrophobicContact CG2-CB 4.17Å; V210-R453 WeakPolarHBondContact CG2-O 3.46Å; V210-R453 PolarHBondContact N-O 3.32Å; V210-R453 VanDerWaalsContact N-O 3.12Å; M449-R453 VanDerWaalsContact O-CA 3.28Å; M449-R453 WeakPolarHBondContact O-CA 3.47Å; M449-R453 PolarHBondContact O-N 3.47Å
454	K	96.8	Very high	97.2	Very high	90 Å²	90	33 Å²	33	39%	0.391	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	162.6	-178.3	-70.1	167.4	-170	166	0	110.5	I208 M448 M449 E452	I208-K454 CarbonylContact O-C 3.56Å; I208-K454 WeakPolarHBondContact O-CA 3.47Å; M448-K454 CarbonylContact C-O 3.57Å; M448-K454 HydrophobicContact CE-CB 4.12Å; M448-K454 WeakPolarHBondContact CG-O 3.48Å; M449-K454 WeakPolarHBondContact CA-O 3.44Å; M449-K454 PolarHBondContact N-O 3.43Å; E452-K454 HydrophobicContact CB-CB 4.41Å; E452-K454 PolarHBondContact O-N 2.85Å
455	V	97.7	Very high	97.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	139.2	168.9	-63.7	0	0	0	0	111.3	P207 I208 L213 M445 M449 L485	P207-V455 CarbonylContact C-O 3.58Å; P207-V455 WeakPolarHBondContact CA-O 3.2Å; I208-V455 HydrophobicContact CB-CG2 4.13Å; I208-V455 PolarHBondContact N-O 3.21Å; I208-V455 PolarHBondContact O-N 3.05Å; L213-V455 HydrophobicContact CD1-CG2 4.03Å; M445-V455 HydrophobicContact CB-CG1 4.42Å; M445-V455 HydrophobicContact SD-CB 4.27Å; M449-V455 HydrophobicContact CB-CG1 4.12Å; M449-V455 HydrophobicContact CE-CG1 3.74Å; V455-L485 HydrophobicContact CB-CD1 4.36Å; V455-L485 HydrophobicContact CG1-CD1 4.19Å; V455-L485 HydrophobicContact CG1-CD2 4.37Å
456	D	97.7	Very high	97.1	Very high	9 Å²	9	34.8 Å²	34.8	5%	0.048	17%	0.172	C	C	.	.			trans	-124.6	64	-179.6	174.9	34.6	0	0	0	110.2	P207 M445 M448 F458 G459 F460 R463	P207-D456 HydrophobicContact CB-CB 4.12Å; P207-D456 HydrophobicContact CG-CB 4.07Å; M445-D456 PolarHBondContact SD-N 2.9Å; M448-D456 HydrophobicContact CE-CB 3.86Å; M448-D456 HydrophobicContact SD-CB 3.74Å; D456-F458 PolarHBondContact O-N 3.24Å; D456-G459 WeakPolarHBondContact OD1-CA 3.39Å; D456-G459 PolarHBondContact OD1-N 3.11Å; D456-G459 WeakPolarHBondContact OD2-CA 3.43Å; D456-F460 WeakPolarHBondContact O-CB 3.25Å; D456-F460 PolarHBondContact O-N 3.43Å; D456-R463 IonicContact OD2-CZ 2.71Å; D456-R463 VanDerWaalsContact OD2-CZ 3.23Å; D456-R463 IonicContact OD2-NH1 2.94Å; D456-R463 PolarHBondContact OD2-NH1 3.11Å; D456-R463 IonicContact OD2-NH2 2.67Å; D456-R463 PolarHBondContact OD2-NH2 3.03Å
457	V	98.3	Very high	97.1	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.012	17%	0.173	C	C	.	.	H	α-helix	trans	-62.2	-45.5	-176.5	-172.7	0	0	0	0	110.8	V441 M445 F460 V461 Y478 I481 F482 L485	V441-V457 HydrophobicContact CG1-CG1 4.08Å; M445-V457 HydrophobicContact CG-CG2 4.23Å; M445-V457 HydrophobicContact SD-CG2 4.39Å; V457-F460 PolarHBondContact O-N 3.13Å; V457-V461 HydrophobicContact CG1-CG2 4.2Å; V457-V461 WeakPolarHBondContact O-CB 3.27Å; V457-V461 VanDerWaalsContact O-CG2 3.25Å; V457-V461 WeakPolarHBondContact O-CG2 3.37Å; V457-V461 PolarHBondContact O-N 2.92Å; V457-Y478 HydrophobicContact CG1-CD2 4.33Å; V457-Y478 HydrophobicContact CG1-CE2 3.72Å; V457-I481 HydrophobicContact CG1-CB 4.41Å; V457-I481 HydrophobicContact CG1-CD1 4.33Å; V457-I481 HydrophobicContact CG1-CG2 3.82Å; V457-I481 HydrophobicContact CG2-CG2 4.11Å; V457-F482 HydrophobicContact CB-CE1 4.45Å; V457-F482 HydrophobicContact CB-CE2 3.66Å; V457-F482 HydrophobicContact CB-CZ 3.61Å; V457-F482 HydrophobicContact CG1-CD2 4.33Å; V457-F482 HydrophobicContact CG1-CE2 3.6Å; V457-F482 HydrophobicContact CG1-CZ 4.1Å; V457-F482 HydrophobicContact CG2-CD2 4.3Å; V457-F482 HydrophobicContact CG2-CE1 4.1Å; V457-F482 HydrophobicContact CG2-CE2 3.81Å; V457-F482 HydrophobicContact CG2-CZ 3.71Å; V457-L485 HydrophobicContact CG2-CD1 3.76Å
458	F	97.9	Very high	97.2	Very high	12 Å²	12	33 Å²	33	5%	0.053	16%	0.162	C	C	.	.	H	α-helix	trans	-61.2	-50.1	179.6	-175.9	-85.9	0	0	0	112	N202 Y205 E231 A234 L235 D456 T462 Y478	N202-F458 HydrophobicContact CB-CD1 4.09Å; N202-F458 HydrophobicContact CB-CE1 3.61Å; N202-F458 HydrophobicContact CB-CZ 4.41Å; Y205-F458 HydrophobicContact CD2-CD1 4.33Å; Y205-F458 AromaticContact CD2-CD2 3.78Å; Y205-F458 HydrophobicContact CD2-CD2 3.78Å; Y205-F458 HydrophobicContact CD2-CE1 4.2Å; Y205-F458 AromaticContact CD2-CE2 3.6Å; Y205-F458 HydrophobicContact CD2-CE2 3.6Å; Y205-F458 HydrophobicContact CD2-CG 4.16Å; Y205-F458 AromaticContact CD2-CZ 3.84Å; Y205-F458 HydrophobicContact CD2-CZ 3.84Å; Y205-F458 HydrophobicContact CE2-CD2 4.43Å; Y205-F458 AromaticContact CE2-CE2 3.99Å; Y205-F458 HydrophobicContact CE2-CE2 3.99Å; Y205-F458 HydrophobicContact CE2-CZ 4.38Å; Y205-F458 AromaticContact CG-CD2 3.96Å; Y205-F458 HydrophobicContact CG-CD2 3.96Å; Y205-F458 HydrophobicContact CG-CE2 4.26Å; Y205-F458 HydrophobicContact CG-CG 4.1Å; E231-F458 HydrophobicContact CG-CD2 3.73Å; E231-F458 HydrophobicContact CG-CE2 4.37Å; A234-F458 HydrophobicContact CB-CE2 4.29Å; L235-F458 HydrophobicContact CD2-CD2 3.54Å; L235-F458 HydrophobicContact CD2-CE2 3.55Å; L235-F458 HydrophobicContact CD2-CG 4.05Å; L235-F458 HydrophobicContact CD2-CZ 4.06Å; L235-F458 HydrophobicContact CG-CD2 4.11Å; L235-F458 HydrophobicContact CG-CE2 3.87Å; D456-F458 PolarHBondContact O-N 3.24Å; F458-T462 VanDerWaalsContact O-CB 3.27Å; F458-T462 WeakPolarHBondContact O-CB 3.42Å; F458-T462 PolarHBondContact O-N 3.28Å; F458-T462 PolarHBondContact O-OG1 2.98Å; F458-Y478 VanDerWaalsContact CA-OH 3.28Å; F458-Y478 WeakPolarHBondContact CA-OH 3.47Å; F458-Y478 WeakPolarHBondContact CB-OH 3.4Å; F458-Y478 PolarHBondContact N-OH 2.81Å
459	G	96.9	Very high	97	Very high	4 Å²	4	33.3 Å²	33.3	4%	0.041	16%	0.164	C	C	.	.	H	α-helix	trans	-68.9	-37.4	179.9	0	0	0	0	0	112.5	D456 T462 R463	D456-G459 WeakPolarHBondContact OD1-CA 3.39Å; D456-G459 PolarHBondContact OD1-N 3.11Å; D456-G459 WeakPolarHBondContact OD2-CA 3.43Å; G459-T462 WeakPolarHBondContact O-CB 3.43Å; G459-T462 PolarHBondContact O-N 2.72Å; G459-R463 VanDerWaalsContact C-CZ 3.49Å; G459-R463 VanDerWaalsContact O-CG 3.3Å; G459-R463 WeakPolarHBondContact O-CG 3.42Å; G459-R463 PolarHBondContact O-N 2.93Å; G459-R463 PolarHBondContact O-NH1 3.1Å
460	F	98.1	Very high	96.9	Very high	5 Å²	5	35.9 Å²	35.9	2%	0.022	18%	0.176	C	C	.	.	H	α-helix	trans	-70.2	-44.2	177.8	-170.6	-93.7	0	0	0	112.3	N289 I440 V441 A444 M445 D456 V457 T462 R463 I464	N289-F460 WeakPolarHBondContact O-CZ 3.26Å; I440-F460 HydrophobicContact CG2-CE1 4.34Å; V441-F460 HydrophobicContact CB-CD1 4.22Å; V441-F460 HydrophobicContact CB-CE1 4.43Å; V441-F460 HydrophobicContact CG1-CD1 4.03Å; V441-F460 HydrophobicContact CG2-CD1 3.89Å; V441-F460 HydrophobicContact CG2-CE1 4.06Å; A444-F460 HydrophobicContact CB-CD1 4.14Å; A444-F460 HydrophobicContact CB-CD2 4.16Å; A444-F460 HydrophobicContact CB-CE1 3.54Å; A444-F460 HydrophobicContact CB-CE2 3.57Å; A444-F460 HydrophobicContact CB-CG 4.43Å; A444-F460 HydrophobicContact CB-CZ 3.23Å; M445-F460 HydrophobicContact CE-CB 3.6Å; M445-F460 HydrophobicContact CE-CD1 4.43Å; M445-F460 HydrophobicContact CE-CD2 3.94Å; M445-F460 HydrophobicContact CE-CG 3.73Å; M445-F460 HydrophobicContact SD-CB 4.22Å; D456-F460 WeakPolarHBondContact O-CB 3.25Å; D456-F460 PolarHBondContact O-N 3.43Å; V457-F460 PolarHBondContact O-N 3.13Å; F460-T462 VanDerWaalsContact C-N 3.28Å; F460-T462 PolarHBondContact O-N 3.35Å; F460-R463 WeakPolarHBondContact O-CB 3.43Å; F460-R463 PolarHBondContact O-N 2.8Å; F460-R463 VanDerWaalsContact O-N 3.11Å; F460-I464 HydrophobicContact CD1-CD1 4.44Å; F460-I464 HydrophobicContact CD1-CG2 4.22Å; F460-I464 HydrophobicContact CE1-CD1 4.15Å; F460-I464 HydrophobicContact CE1-CG2 3.63Å; F460-I464 HydrophobicContact CE2-CG2 4.32Å; F460-I464 HydrophobicContact CZ-CG2 3.67Å; F460-I464 PolarHBondContact O-N 3.25Å
461	V	98.3	Very high	97.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.9	-41.2	172.4	175.4	0	0	0	0	110.6	L235 V441 V457 R463 I464 R465 V472 Y478	L235-V461 HydrophobicContact CD1-CG1 3.75Å; L235-V461 HydrophobicContact CD2-CB 4.13Å; L235-V461 HydrophobicContact CD2-CG1 4Å; L235-V461 HydrophobicContact CG-CG1 4.49Å; V441-V461 HydrophobicContact CG1-CG2 4.05Å; V441-V461 HydrophobicContact CG2-CG2 3.71Å; V457-V461 HydrophobicContact CG1-CG2 4.2Å; V457-V461 WeakPolarHBondContact O-CB 3.27Å; V457-V461 VanDerWaalsContact O-CG2 3.25Å; V457-V461 WeakPolarHBondContact O-CG2 3.37Å; V457-V461 PolarHBondContact O-N 2.92Å; V461-R463 PolarHBondContact O-N 3.5Å; V461-I464 WeakPolarHBondContact O-CG1 3.22Å; V461-I464 PolarHBondContact O-N 3.16Å; V461-R465 HydrophobicContact CG1-CG 4.46Å; V461-R465 WeakPolarHBondContact O-CB 3.46Å; V461-R465 WeakPolarHBondContact O-CG 3.48Å; V461-R465 PolarHBondContact O-N 3.43Å; V461-V472 HydrophobicContact CG1-CB 4.2Å; V461-V472 HydrophobicContact CG1-CG2 4.29Å; V461-V472 HydrophobicContact CG2-CB 4.49Å; V461-V472 HydrophobicContact CG2-CG2 3.88Å; V461-Y478 HydrophobicContact CB-CE2 4.49Å; V461-Y478 HydrophobicContact CG2-CD2 4.44Å; V461-Y478 HydrophobicContact CG2-CE2 4.12Å
462	T	96.5	Very high	97.2	Very high	17 Å²	17	27.9 Å²	27.9	10%	0.104	13%	0.125	C	C	.	.	H	α-helix	trans	-58.9	-44.9	172.7	-64.3	0	0	0	0	112	P236 P239 F458 G459 F460 R465	P236-T462 HydrophobicContact CG-CG2 3.74Å; P239-T462 HydrophobicContact CB-CG2 4.34Å; F458-T462 VanDerWaalsContact O-CB 3.27Å; F458-T462 WeakPolarHBondContact O-CB 3.42Å; F458-T462 PolarHBondContact O-N 3.28Å; F458-T462 PolarHBondContact O-OG1 2.98Å; G459-T462 WeakPolarHBondContact O-CB 3.43Å; G459-T462 PolarHBondContact O-N 2.72Å; F460-T462 VanDerWaalsContact C-N 3.28Å; F460-T462 PolarHBondContact O-N 3.35Å; T462-R465 PolarHBondContact O-N 2.95Å
463	R	96.1	Very high	97.1	Very high	99 Å²	99	27.9 Å²	27.9	37%	0.374	13%	0.125	S	C	.	.	H	α-helix	trans	-62.1	-49.2	177.9	-75.6	-177.4	-64.9	-85.9	10	112.1	D456 G459 F460 V461 R465 A466	D456-R463 IonicContact OD2-CZ 2.71Å; D456-R463 VanDerWaalsContact OD2-CZ 3.23Å; D456-R463 IonicContact OD2-NH1 2.94Å; D456-R463 PolarHBondContact OD2-NH1 3.11Å; D456-R463 IonicContact OD2-NH2 2.67Å; D456-R463 PolarHBondContact OD2-NH2 3.03Å; G459-R463 VanDerWaalsContact C-CZ 3.49Å; G459-R463 VanDerWaalsContact O-CG 3.3Å; G459-R463 WeakPolarHBondContact O-CG 3.42Å; G459-R463 PolarHBondContact O-N 2.93Å; G459-R463 PolarHBondContact O-NH1 3.1Å; F460-R463 WeakPolarHBondContact O-CB 3.43Å; F460-R463 PolarHBondContact O-N 2.8Å; F460-R463 VanDerWaalsContact O-N 3.11Å; V461-R463 PolarHBondContact O-N 3.5Å; R463-R465 VanDerWaalsContact C-N 3.3Å; R463-R465 PolarHBondContact O-N 3.2Å; R463-A466 WeakPolarHBondContact O-CB 3.34Å; R463-A466 PolarHBondContact O-N 2.87Å; R463-A466 VanDerWaalsContact O-N 3.08Å
464	I	97.7	Very high	97.1	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-72.1	-23.1	-178.8	66.8	176.2	0	0	0	113.1	I288 V441 F460 V461 A466 Q467 R468 M471	I288-I464 HydrophobicContact CG2-CB 3.77Å; I288-I464 HydrophobicContact CG2-CG2 3.48Å; I288-I464 VanDerWaalsContact CG2-CG2 3.48Å; V441-I464 HydrophobicContact CG2-CD1 3.49Å; V441-I464 VanDerWaalsContact CG2-CD1 3.49Å; F460-I464 HydrophobicContact CD1-CD1 4.44Å; F460-I464 HydrophobicContact CD1-CG2 4.22Å; F460-I464 HydrophobicContact CE1-CD1 4.15Å; F460-I464 HydrophobicContact CE1-CG2 3.63Å; F460-I464 HydrophobicContact CE2-CG2 4.32Å; F460-I464 HydrophobicContact CZ-CG2 3.67Å; F460-I464 PolarHBondContact O-N 3.25Å; V461-I464 WeakPolarHBondContact O-CG1 3.22Å; V461-I464 PolarHBondContact O-N 3.16Å; I464-A466 PolarHBondContact O-N 3.27Å; I464-Q467 PolarHBondContact O-N 3.09Å; I464-R468 PolarHBondContact O-N 3.18Å; I464-M471 HydrophobicContact CD1-CB 3.92Å; I464-M471 HydrophobicContact CD1-CE 4.07Å; I464-M471 HydrophobicContact CG1-CB 3.87Å; I464-M471 HydrophobicContact CG1-CG 4.4Å
465	R	97.6	Very high	97	Very high	19 Å²	19	21.9 Å²	21.9	7%	0.072	11%	0.11	C	C	.	.	H	α-helix	trans	-67.7	-13.4	168.8	-78.6	-171.8	-178.4	-174	3.7	114.2	L235 P236 V461 T462 R463 R468 M471 V472	L235-R465 VanDerWaalsContact CB-NH1 3.3Å; P236-R465 WeakPolarHBondContact O-CD 3.39Å; P236-R465 PolarHBondContact O-NH1 3.28Å; V461-R465 HydrophobicContact CG1-CG 4.46Å; V461-R465 WeakPolarHBondContact O-CB 3.46Å; V461-R465 WeakPolarHBondContact O-CG 3.48Å; V461-R465 PolarHBondContact O-N 3.43Å; T462-R465 PolarHBondContact O-N 2.95Å; R463-R465 VanDerWaalsContact C-N 3.3Å; R463-R465 PolarHBondContact O-N 3.2Å; R465-R468 WeakPolarHBondContact CA-O 2.88Å; R465-M471 HydrophobicContact CG-CB 4.02Å; R465-M471 PolarHBondContact NE-O 3.49Å; R465-V472 PolarHBondContact NH2-O 2.73Å
466	A	96.9	Very high	96.9	Very high	18 Å²	18	26 Å²	26	15%	0.149	13%	0.13	C	C	.	.	H	α-helix	trans	-70.6	-35	164.4	0	0	0	0	0	111.7	P239 I240 Y264 H266 R463 I464	P239-A466 HydrophobicContact CG-CB 3.6Å; I240-A466 HydrophobicContact CD1-CB 4.1Å; I240-A466 HydrophobicContact CG1-CB 4.21Å; Y264-A466 VanDerWaalsContact CD2-O 3.31Å; Y264-A466 WeakPolarHBondContact CD2-O 3.39Å; H266-A466 PolarHBondContact CE1-O 3.43Å; H266-A466 PolarHBondContact NE2-O 3.18Å; R463-A466 WeakPolarHBondContact O-CB 3.34Å; R463-A466 PolarHBondContact O-N 2.87Å; R463-A466 VanDerWaalsContact O-N 3.08Å; I464-A466 PolarHBondContact O-N 3.27Å
467	Q	97.9	Very high	96.9	Very high	21 Å²	21	26.4 Å²	26.4	10%	0.098	13%	0.132	C	C	.	.	H	α-helix	trans	-87.9	-30.3	-173.1	-59.3	-176.1	-95.6	0	0	112.9	S267 F287 I288 N289 I464	S267-Q467 WeakPolarHBondContact CB-O 3.14Å; S267-Q467 PolarHBondContact OG-O 3.01Å; F287-Q467 PolarHBondContact O-NE2 3Å; I288-Q467 HydrophobicContact CD1-CB 3.77Å; N289-Q467 VanDerWaalsContact CG-NE2 3.35Å; N289-Q467 VanDerWaalsContact CG-OE1 3.22Å; N289-Q467 PolarHBondContact ND2-NE2 3.49Å; N289-Q467 PolarHBondContact ND2-OE1 3.16Å; N289-Q467 PolarHBondContact OD1-NE2 3.34Å; N289-Q467 VanDerWaalsContact OD1-NE2 3.16Å; I464-Q467 PolarHBondContact O-N 3.09Å
468	R	97.9	Very high	96.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-150.4	140.9	173.9	-172.7	172	174.4	80	2.3	111.1	N284 S286 I288 A431 G432 V433 I464 R465 M471	N284-R468 PolarHBondContact OD1-NH1 2.96Å; N284-R468 PolarHBondContact OD1-NH2 2.82Å; S286-R468 PolarHBondContact OG-NH1 3.48Å; S286-R468 VanDerWaalsContact OG-NH1 3.14Å; I288-R468 HydrophobicContact CD1-CB 3.7Å; A431-R468 PolarHBondContact O-NH2 3.23Å; G432-R468 PolarHBondContact O-NE 2.82Å; V433-R468 HydrophobicContact CG1-CG 4.18Å; I464-R468 PolarHBondContact O-N 3.18Å; R465-R468 WeakPolarHBondContact CA-O 2.88Å; R468-M471 HydrophobicContact CB-CG 3.88Å; R468-M471 HydrophobicContact CB-SD 4.05Å; R468-M471 HydrophobicContact CG-CG 4.43Å; R468-M471 HydrophobicContact CG-SD 4.19Å; R468-M471 VanDerWaalsContact O-CG 3.3Å; R468-M471 WeakPolarHBondContact O-CG 3.46Å
469	S	93.6	Very high	96.9	Very high	13 Å²	13	26.1 Å²	26.1	9%	0.091	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	146.7	179.9	70.8	0	0	0	0	112.8	L262 Y264 V433 M471	L262-S469 PolarHBondContact O-OG 2.83Å; Y264-S469 WeakPolarHBondContact OH-CA 3.36Å; Y264-S469 WeakPolarHBondContact OH-CB 3.2Å; V433-S469 WeakPolarHBondContact CG1-O 3.45Å; S469-M471 PolarHBondContact O-N 3.04Å
470	Q	94.8	Very high	97	Very high	58 Å²	58	25.9 Å²	25.9	27%	0.271	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	21.9	170.2	-56.4	-178.3	42.5	0	0	117.2	N260 I261 V433 V472	N260-Q470 PolarHBondContact O-NE2 3.31Å; I261-Q470 HydrophobicContact CD1-CG 4.43Å; I261-Q470 VanDerWaalsContact CD1-NE2 3.32Å; V433-Q470 HydrophobicContact CG2-CB 4.31Å; Q470-V472 CarbonylContact O-C 3.52Å; Q470-V472 PolarHBondContact O-N 3.5Å
471	M	98.3	Very high	97	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-56.5	127.9	175.1	-67.8	-67.2	-78	0	0	110.8	I288 A299 V433 I440 I464 R465 R468 S469	I288-M471 HydrophobicContact CD1-CE 4.02Å; I288-M471 HydrophobicContact CG1-CE 4Å; I288-M471 HydrophobicContact CG2-CE 4.44Å; A299-M471 HydrophobicContact CB-CE 3.98Å; A299-M471 HydrophobicContact CB-SD 4.26Å; V433-M471 HydrophobicContact CB-SD 4.25Å; V433-M471 HydrophobicContact CG1-SD 4.29Å; I440-M471 HydrophobicContact CD1-CE 4.07Å; I464-M471 HydrophobicContact CD1-CB 3.92Å; I464-M471 HydrophobicContact CD1-CE 4.07Å; I464-M471 HydrophobicContact CG1-CB 3.87Å; I464-M471 HydrophobicContact CG1-CG 4.4Å; R465-M471 HydrophobicContact CG-CB 4.02Å; R465-M471 PolarHBondContact NE-O 3.49Å; R468-M471 HydrophobicContact CB-CG 3.88Å; R468-M471 HydrophobicContact CB-SD 4.05Å; R468-M471 HydrophobicContact CG-CG 4.43Å; R468-M471 HydrophobicContact CG-SD 4.19Å; R468-M471 VanDerWaalsContact O-CG 3.3Å; R468-M471 WeakPolarHBondContact O-CG 3.46Å; S469-M471 PolarHBondContact O-N 3.04Å
472	V	97.8	Very high	97	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	56.4	102.8	-159	-170.2	0	0	0	0	110.7	F232 V433 V441 V461 R465 Q470 Q477 Y478 I481	F232-V472 HydrophobicContact CE2-CG1 4.4Å; F232-V472 WeakPolarHBondContact CE2-O 3.36Å; V433-V472 PolarHBondContact O-N 2.51Å; V441-V472 HydrophobicContact CG2-CG2 3.88Å; V461-V472 HydrophobicContact CG1-CB 4.2Å; V461-V472 HydrophobicContact CG1-CG2 4.29Å; V461-V472 HydrophobicContact CG2-CB 4.49Å; V461-V472 HydrophobicContact CG2-CG2 3.88Å; R465-V472 PolarHBondContact NH2-O 2.73Å; Q470-V472 CarbonylContact O-C 3.52Å; Q470-V472 PolarHBondContact O-N 3.5Å; V472-Q477 HydrophobicContact CG1-CB 3.94Å; V472-Y478 HydrophobicContact CG1-CD2 4.24Å; V472-I481 HydrophobicContact CG1-CD1 4.06Å; V472-I481 HydrophobicContact CG2-CD1 3.8Å
473	Q	95.8	Very high	97	Very high	73 Å²	73	27.6 Å²	27.6	34%	0.341	14%	0.135	S	C	.	.			trans	-100	-18.5	-161.6	-166.4	172.4	31.9	0	0	114	V433	V433-Q473 HydrophobicContact CG2-CB 4.47Å
474	T	96.4	Very high	97	Very high	53 Å²	53	22.9 Å²	22.9	33%	0.325	12%	0.118	S	C	.	.	S	Bend	trans	-130.4	157.3	176.6	67.8	0	0	0	0	112.5	F232 M476 Q477 Y478	F232-T474 WeakPolarHBondContact CE2-O 3.31Å; F232-T474 VanDerWaalsContact CZ-C 3.49Å; T474-M476 VanDerWaalsContact C-N 3.33Å; T474-Q477 WeakPolarHBondContact O-CB 3Å; T474-Q477 PolarHBondContact O-N 2.96Å; T474-Q477 WeakPolarHBondContact OG1-CB 3.49Å; T474-Q477 VanDerWaalsContact OG1-CG 3.29Å; T474-Q477 WeakPolarHBondContact OG1-CG 3.33Å; T474-Q477 PolarHBondContact OG1-N 2.91Å; T474-Q477 VanDerWaalsContact OG1-N 3.13Å; T474-Y478 PolarHBondContact O-N 3.39Å
475	D	95.6	Very high	97	Very high	55 Å²	55	22.9 Å²	22.9	29%	0.294	12%	0.117	S	C	.	.	H	α-helix	trans	-57.4	-43.3	169.5	55.1	-9.4	0	0	0	111.9	R229 F232 Q477 Y478 V479	R229-D475 HydrophobicContact CG-CB 4.28Å; F232-D475 HydrophobicContact CB-CB 4.37Å; F232-D475 HydrophobicContact CD1-CB 4.03Å; F232-D475 HydrophobicContact CG-CB 4.17Å; D475-Q477 VanDerWaalsContact C-N 3.32Å; D475-Q477 PolarHBondContact O-N 3.39Å; D475-Y478 CarbonylContact O-C 3.58Å; D475-Y478 WeakPolarHBondContact O-CA 3.3Å; D475-Y478 WeakPolarHBondContact O-CB 3.3Å; D475-Y478 PolarHBondContact O-N 2.96Å; D475-V479 WeakPolarHBondContact O-CG2 3.42Å; D475-V479 PolarHBondContact O-N 3.39Å
476	M	95.8	Very high	96.9	Very high	86 Å²	86	23 Å²	23	42%	0.424	12%	0.12	S	C	.	.	H	α-helix	trans	-60.6	-39	175.7	-64.6	-63.6	-70.8	0	0	112.5	V400 T474 F480	V400-M476 HydrophobicContact CG1-CB 4.23Å; V400-M476 WeakPolarHBondContact CG1-O 3.47Å; T474-M476 VanDerWaalsContact C-N 3.33Å; M476-F480 WeakPolarHBondContact O-CB 3.35Å; M476-F480 PolarHBondContact O-N 3.35Å
477	Q	97.6	Very high	96.7	Very high	19 Å²	19	23 Å²	23	9%	0.089	12%	0.116	C	C	.	.	H	α-helix	trans	-64.9	-40	172.1	-75.8	164.3	17.8	0	0	111.4	W395 V400 G434 V472 T474 D475 F480 I481	W395-Q477 HydrophobicContact CZ2-CG 4.13Å; V400-Q477 HydrophobicContact CG1-CG 4.5Å; G434-Q477 VanDerWaalsContact C-OE1 3.26Å; V472-Q477 HydrophobicContact CG1-CB 3.94Å; T474-Q477 WeakPolarHBondContact O-CB 3Å; T474-Q477 PolarHBondContact O-N 2.96Å; T474-Q477 WeakPolarHBondContact OG1-CB 3.49Å; T474-Q477 VanDerWaalsContact OG1-CG 3.29Å; T474-Q477 WeakPolarHBondContact OG1-CG 3.33Å; T474-Q477 PolarHBondContact OG1-N 2.91Å; T474-Q477 VanDerWaalsContact OG1-N 3.13Å; D475-Q477 VanDerWaalsContact C-N 3.32Å; D475-Q477 PolarHBondContact O-N 3.39Å; Q477-F480 PolarHBondContact O-N 3.35Å; Q477-I481 WeakPolarHBondContact O-CG1 3.43Å; Q477-I481 PolarHBondContact O-N 3.2Å
478	Y	98.2	Very high	96.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.9	-47.8	176.4	-165.7	-101.2	0	0	0	111.6	F228 E231 F232 L235 V457 F458 V461 V472 T474 D475 F480 I481 F482	F228-Y478 HydrophobicContact CD1-CD1 4.13Å; F228-Y478 HydrophobicContact CD1-CE1 4.19Å; E231-Y478 VanDerWaalsContact CD-CE1 3.49Å; E231-Y478 VanDerWaalsContact CD-OH 3.29Å; E231-Y478 HydrophobicContact CG-CE1 3.85Å; E231-Y478 PolarHBondContact OE1-OH 3.15Å; F232-Y478 HydrophobicContact CB-CD1 4.39Å; F232-Y478 HydrophobicContact CB-CG 4.45Å; F232-Y478 HydrophobicContact CD2-CD2 4.13Å; F232-Y478 AromaticContact CD2-CG 3.96Å; F232-Y478 HydrophobicContact CD2-CG 3.96Å; L235-Y478 HydrophobicContact CD1-CD2 4.07Å; L235-Y478 HydrophobicContact CD1-CE2 3.87Å; V457-Y478 HydrophobicContact CG1-CD2 4.33Å; V457-Y478 HydrophobicContact CG1-CE2 3.72Å; F458-Y478 VanDerWaalsContact CA-OH 3.28Å; F458-Y478 WeakPolarHBondContact CA-OH 3.47Å; F458-Y478 WeakPolarHBondContact CB-OH 3.4Å; F458-Y478 PolarHBondContact N-OH 2.81Å; V461-Y478 HydrophobicContact CB-CE2 4.49Å; V461-Y478 HydrophobicContact CG2-CD2 4.44Å; V461-Y478 HydrophobicContact CG2-CE2 4.12Å; V472-Y478 HydrophobicContact CG1-CD2 4.24Å; T474-Y478 PolarHBondContact O-N 3.39Å; D475-Y478 CarbonylContact O-C 3.58Å; D475-Y478 WeakPolarHBondContact O-CA 3.3Å; D475-Y478 WeakPolarHBondContact O-CB 3.3Å; D475-Y478 PolarHBondContact O-N 2.96Å; Y478-F480 VanDerWaalsContact C-N 3.32Å; Y478-F480 PolarHBondContact O-N 2.99Å; Y478-I481 WeakPolarHBondContact O-CB 3.3Å; Y478-I481 PolarHBondContact O-N 3.09Å; Y478-F482 AromaticContact CD1-CE2 3.93Å; Y478-F482 HydrophobicContact CD1-CE2 3.93Å; Y478-F482 HydrophobicContact CE1-CD2 4.42Å; Y478-F482 AromaticContact CE1-CE2 3.46Å; Y478-F482 HydrophobicContact CE1-CE2 3.46Å; Y478-F482 VanDerWaalsContact CE1-CE2 3.46Å; Y478-F482 HydrophobicContact CE1-CZ 4.06Å; Y478-F482 HydrophobicContact CE2-CE2 4.5Å; Y478-F482 AromaticContact CZ-CE2 3.78Å; Y478-F482 WeakPolarHBondContact O-CD2 3.49Å
479	V	97.7	Very high	96.4	Very high	7 Å²	7	27.8 Å²	27.8	4%	0.042	14%	0.136	C	C	.	.	H	α-helix	trans	-59.1	-41.1	175.4	176	0	0	0	0	111.7	M217 F228 D475 I481 F482 Q483	M217-V479 HydrophobicContact CE-CG1 3.99Å; F228-V479 HydrophobicContact CB-CG2 3.77Å; F228-V479 HydrophobicContact CD1-CG2 4.33Å; F228-V479 HydrophobicContact CD2-CG1 4.45Å; F228-V479 HydrophobicContact CD2-CG2 3.71Å; F228-V479 HydrophobicContact CE2-CG1 4.43Å; F228-V479 HydrophobicContact CE2-CG2 4.35Å; F228-V479 HydrophobicContact CG-CG2 3.7Å; D475-V479 WeakPolarHBondContact O-CG2 3.42Å; D475-V479 PolarHBondContact O-N 3.39Å; V479-I481 VanDerWaalsContact C-N 3.26Å; V479-I481 PolarHBondContact O-N 3.46Å; V479-F482 PolarHBondContact O-N 2.81Å; V479-F482 VanDerWaalsContact O-N 3.07Å; V479-Q483 HydrophobicContact CG1-CG 4.36Å; V479-Q483 PolarHBondContact O-N 2.99Å
480	F	97.9	Very high	96.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.2	-29	179.7	-175.1	-102.8	0	0	0	113.5	W395 V400 P401 P404 M407 T438 I442 M476 Q477 Y478 Q483 A484	W395-F480 HydrophobicContact CH2-CD1 4.27Å; W395-F480 HydrophobicContact CH2-CE1 4.39Å; V400-F480 HydrophobicContact CB-CB 4.01Å; V400-F480 HydrophobicContact CB-CD2 3.79Å; V400-F480 HydrophobicContact CB-CE2 4.44Å; V400-F480 HydrophobicContact CB-CG 3.92Å; V400-F480 HydrophobicContact CG1-CB 3.87Å; V400-F480 HydrophobicContact CG1-CG 4.22Å; V400-F480 HydrophobicContact CG2-CB 4.13Å; V400-F480 HydrophobicContact CG2-CD2 3.83Å; V400-F480 HydrophobicContact CG2-CG 4.24Å; P401-F480 HydrophobicContact CB-CE2 3.89Å; P401-F480 HydrophobicContact CB-CZ 3.87Å; P401-F480 HydrophobicContact CG-CE1 4.35Å; P401-F480 HydrophobicContact CG-CE2 4.07Å; P401-F480 HydrophobicContact CG-CZ 3.68Å; P401-F480 WeakPolarHBondContact O-CE2 3.49Å; P404-F480 HydrophobicContact CB-CE2 4.03Å; P404-F480 HydrophobicContact CB-CZ 4.1Å; M407-F480 HydrophobicContact CB-CE1 4.15Å; M407-F480 HydrophobicContact CB-CZ 4.14Å; M407-F480 HydrophobicContact CG-CE1 4.15Å; T438-F480 HydrophobicContact CG2-CD1 3.93Å; I442-F480 HydrophobicContact CD1-CD1 4.38Å; I442-F480 HydrophobicContact CD1-CE1 4.36Å; M476-F480 WeakPolarHBondContact O-CB 3.35Å; M476-F480 PolarHBondContact O-N 3.35Å; Q477-F480 PolarHBondContact O-N 3.35Å; Y478-F480 VanDerWaalsContact C-N 3.32Å; Y478-F480 PolarHBondContact O-N 2.99Å; F480-Q483 PolarHBondContact O-N 3.36Å; F480-A484 PolarHBondContact O-N 3.43Å
481	I	98.5	Very high	96.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.2	-47.4	171.5	-62.5	162.7	0	0	0	110.1	T438 V441 I442 V457 V472 Q477 Y478 V479 Q483 A484 L485	T438-I481 HydrophobicContact CG2-CD1 4.47Å; T438-I481 HydrophobicContact CG2-CG1 3.78Å; V441-I481 HydrophobicContact CB-CD1 3.98Å; V441-I481 HydrophobicContact CG1-CD1 3.9Å; V441-I481 HydrophobicContact CG1-CG1 4.49Å; V441-I481 HydrophobicContact CG1-CG2 3.81Å; V441-I481 HydrophobicContact CG2-CD1 4.43Å; I442-I481 HydrophobicContact CG1-CB 4.33Å; I442-I481 HydrophobicContact CG1-CG1 4.18Å; I442-I481 HydrophobicContact CG1-CG2 4.12Å; V457-I481 HydrophobicContact CG1-CB 4.41Å; V457-I481 HydrophobicContact CG1-CD1 4.33Å; V457-I481 HydrophobicContact CG1-CG2 3.82Å; V457-I481 HydrophobicContact CG2-CG2 4.11Å; V472-I481 HydrophobicContact CG1-CD1 4.06Å; V472-I481 HydrophobicContact CG2-CD1 3.8Å; Q477-I481 WeakPolarHBondContact O-CG1 3.43Å; Q477-I481 PolarHBondContact O-N 3.2Å; Y478-I481 WeakPolarHBondContact O-CB 3.3Å; Y478-I481 PolarHBondContact O-N 3.09Å; V479-I481 VanDerWaalsContact C-N 3.26Å; V479-I481 PolarHBondContact O-N 3.46Å; I481-Q483 VanDerWaalsContact C-N 3.35Å; I481-Q483 PolarHBondContact O-N 3.06Å; I481-A484 PolarHBondContact O-N 3.3Å; I481-L485 HydrophobicContact CG2-CD1 3.81Å; I481-L485 HydrophobicContact CG2-CG 4.49Å; I481-L485 VanDerWaalsContact O-CG 3.28Å; I481-L485 WeakPolarHBondContact O-CG 3.36Å; I481-L485 PolarHBondContact O-N 2.75Å
482	F	98.1	Very high	95.6	Very high	1 Å²	1	29.4 Å²	29.4	0%	0.004	15%	0.152	C	C	.	.	H	α-helix	trans	-67	-35.9	177.8	-70.7	-105.8	0	0	0	112	I208 L213 M217 F228 V457 Y478 V479 L485 L486	I208-F482 HydrophobicContact CD1-CE1 3.65Å; L213-F482 HydrophobicContact CD1-CD1 4.3Å; M217-F482 HydrophobicContact CE-CB 4.02Å; M217-F482 HydrophobicContact SD-CB 3.45Å; M217-F482 WeakPolarHBondContact SD-CB 3.3Å; M217-F482 HydrophobicContact SD-CG 4.37Å; F228-F482 HydrophobicContact CD1-CE2 4.44Å; F228-F482 HydrophobicContact CE1-CB 4.37Å; F228-F482 AromaticContact CE1-CD1 3.93Å; F228-F482 HydrophobicContact CE1-CD1 3.93Å; F228-F482 AromaticContact CE1-CD2 3.61Å; F228-F482 HydrophobicContact CE1-CD2 3.61Å; F228-F482 HydrophobicContact CE1-CE1 4.02Å; F228-F482 AromaticContact CE1-CE2 3.74Å; F228-F482 HydrophobicContact CE1-CE2 3.74Å; F228-F482 AromaticContact CE1-CG 3.72Å; F228-F482 HydrophobicContact CE1-CG 3.72Å; F228-F482 AromaticContact CE1-CZ 3.93Å; F228-F482 HydrophobicContact CE1-CZ 3.93Å; F228-F482 HydrophobicContact CZ-CB 4.04Å; F228-F482 HydrophobicContact CZ-CD1 4.05Å; F228-F482 HydrophobicContact CZ-CD2 4.14Å; F228-F482 AromaticContact CZ-CG 3.83Å; F228-F482 HydrophobicContact CZ-CG 3.83Å; V457-F482 HydrophobicContact CB-CE1 4.45Å; V457-F482 HydrophobicContact CB-CE2 3.66Å; V457-F482 HydrophobicContact CB-CZ 3.61Å; V457-F482 HydrophobicContact CG1-CD2 4.33Å; V457-F482 HydrophobicContact CG1-CE2 3.6Å; V457-F482 HydrophobicContact CG1-CZ 4.1Å; V457-F482 HydrophobicContact CG2-CD2 4.3Å; V457-F482 HydrophobicContact CG2-CE1 4.1Å; V457-F482 HydrophobicContact CG2-CE2 3.81Å; V457-F482 HydrophobicContact CG2-CZ 3.71Å; Y478-F482 AromaticContact CD1-CE2 3.93Å; Y478-F482 HydrophobicContact CD1-CE2 3.93Å; Y478-F482 HydrophobicContact CE1-CD2 4.42Å; Y478-F482 AromaticContact CE1-CE2 3.46Å; Y478-F482 HydrophobicContact CE1-CE2 3.46Å; Y478-F482 VanDerWaalsContact CE1-CE2 3.46Å; Y478-F482 HydrophobicContact CE1-CZ 4.06Å; Y478-F482 HydrophobicContact CE2-CE2 4.5Å; Y478-F482 AromaticContact CZ-CE2 3.78Å; Y478-F482 WeakPolarHBondContact O-CD2 3.49Å; V479-F482 PolarHBondContact O-N 2.81Å; V479-F482 VanDerWaalsContact O-N 3.07Å; F482-L485 PolarHBondContact O-N 2.76Å; F482-L486 VanDerWaalsContact O-CB 3.27Å; F482-L486 WeakPolarHBondContact O-CB 3.49Å; F482-L486 PolarHBondContact O-N 2.85Å
483	Q	96.2	Very high	95.1	Very high	57 Å²	57	34.2 Å²	34.2	27%	0.266	18%	0.177	S	C	.	.	H	α-helix	trans	-59.9	-45	172.6	-68.2	174.9	-22	0	0	111.5	M217 P404 V479 F480 I481 E487	M217-Q483 HydrophobicContact CE-CB 4.44Å; M217-Q483 HydrophobicContact CE-CG 3.42Å; M217-Q483 VanDerWaalsContact CE-CG 3.42Å; P404-Q483 HydrophobicContact CG-CB 4.43Å; V479-Q483 HydrophobicContact CG1-CG 4.36Å; V479-Q483 PolarHBondContact O-N 2.99Å; F480-Q483 PolarHBondContact O-N 3.36Å; I481-Q483 VanDerWaalsContact C-N 3.35Å; I481-Q483 PolarHBondContact O-N 3.06Å; Q483-E487 VanDerWaalsContact O-CB 3.23Å; Q483-E487 WeakPolarHBondContact O-CB 3.36Å; Q483-E487 PolarHBondContact O-N 2.97Å
484	A	97	Very high	94.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67.5	-36.9	178	0	0	0	0	0	113.3	P404 L408 I442 F480 I481 H488	P404-A484 HydrophobicContact CB-CB 3.75Å; L408-A484 HydrophobicContact CD2-CB 4.2Å; I442-A484 HydrophobicContact CD1-CB 3.8Å; I442-A484 HydrophobicContact CG1-CB 4.13Å; I442-A484 HydrophobicContact CG2-CB 4.16Å; F480-A484 PolarHBondContact O-N 3.43Å; I481-A484 PolarHBondContact O-N 3.3Å; A484-H488 PolarHBondContact O-N 3.32Å; A484-H488 VanDerWaalsContact O-N 3.11Å
485	L	97.6	Very high	94.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-71	-41	176.1	-66	167.2	0	0	0	111.7	L213 M445 L446 M449 V455 V457 I481 F482 H488 Y489	L213-L485 HydrophobicContact CD2-CB 4.11Å; M445-L485 HydrophobicContact CB-CD1 3.61Å; M445-L485 HydrophobicContact CB-CD2 3.55Å; M445-L485 HydrophobicContact CB-CG 4.2Å; M445-L485 HydrophobicContact CG-CD1 4.21Å; L446-L485 HydrophobicContact CD2-CD2 4.05Å; L446-L485 HydrophobicContact CG-CD2 4.11Å; M449-L485 HydrophobicContact CE-CB 3.92Å; M449-L485 HydrophobicContact CE-CD2 4.06Å; M449-L485 WeakPolarHBondContact CE-O 3.35Å; V455-L485 HydrophobicContact CB-CD1 4.36Å; V455-L485 HydrophobicContact CG1-CD1 4.19Å; V455-L485 HydrophobicContact CG1-CD2 4.37Å; V457-L485 HydrophobicContact CG2-CD1 3.76Å; I481-L485 HydrophobicContact CG2-CD1 3.81Å; I481-L485 HydrophobicContact CG2-CG 4.49Å; I481-L485 VanDerWaalsContact O-CG 3.28Å; I481-L485 WeakPolarHBondContact O-CG 3.36Å; I481-L485 PolarHBondContact O-N 2.75Å; F482-L485 PolarHBondContact O-N 2.76Å; L485-H488 PolarHBondContact O-N 3.24Å; L485-Y489 WeakPolarHBondContact O-CB 3.37Å; L485-Y489 PolarHBondContact O-N 2.86Å
486	L	95.5	Very high	94.2	Very high	23 Å²	23	29.1 Å²	29.1	12%	0.12	15%	0.15	C	C	.	.	H	α-helix	trans	-67.1	-40.6	176.3	-179.1	60.6	0	0	0	111.8	L213 E214 M217 F482 Y489 L490	L213-L486 HydrophobicContact CD2-CB 4.39Å; L213-L486 HydrophobicContact CG-CB 4.39Å; L213-L486 HydrophobicContact CG-CD1 4.24Å; E214-L486 HydrophobicContact CB-CD1 3.77Å; E214-L486 HydrophobicContact CG-CD1 4.28Å; E214-L486 HydrophobicContact CG-CD2 4.5Å; M217-L486 HydrophobicContact CB-CD2 3.91Å; M217-L486 HydrophobicContact CG-CD2 3.78Å; F482-L486 VanDerWaalsContact O-CB 3.27Å; F482-L486 WeakPolarHBondContact O-CB 3.49Å; F482-L486 PolarHBondContact O-N 2.85Å; L486-Y489 HydrophobicContact CD1-CD1 4.29Å; L486-Y489 PolarHBondContact O-N 3.42Å; L486-L490 HydrophobicContact CD1-CD1 3.81Å; L486-L490 HydrophobicContact CD1-CD2 4.33Å; L486-L490 HydrophobicContact CD1-CG 3.81Å; L486-L490 HydrophobicContact CD2-CD1 4.49Å; L486-L490 HydrophobicContact CG-CD1 3.85Å; L486-L490 HydrophobicContact CG-CG 4.26Å; L486-L490 WeakPolarHBondContact O-CB 3.15Å; L486-L490 WeakPolarHBondContact O-CG 3.26Å; L486-L490 PolarHBondContact O-N 2.73Å
487	E	93.6	Very high	93.9	Very high	17 Å²	17	30.9 Å²	30.9	8%	0.079	16%	0.157	C	C	.	.	H	α-helix	trans	-54.3	-53.2	171.6	174.2	71.3	-152.5	0	0	111.2	P404 L408 Q483 Y489 L490 F491 Q749 K752	P404-E487 HydrophobicContact CG-CB 3.69Å; P404-E487 HydrophobicContact CG-CG 3.88Å; L408-E487 HydrophobicContact CD1-CB 3.97Å; L408-E487 HydrophobicContact CD1-CG 3.44Å; L408-E487 VanDerWaalsContact CD1-CG 3.44Å; Q483-E487 VanDerWaalsContact O-CB 3.23Å; Q483-E487 WeakPolarHBondContact O-CB 3.36Å; Q483-E487 PolarHBondContact O-N 2.97Å; E487-Y489 VanDerWaalsContact C-N 3.31Å; E487-Y489 PolarHBondContact O-N 3.43Å; E487-L490 PolarHBondContact O-N 3.36Å; E487-F491 VanDerWaalsContact CD-CD2 3.47Å; E487-F491 HydrophobicContact CG-CD2 4.35Å; E487-F491 VanDerWaalsContact O-CD2 3.23Å; E487-F491 WeakPolarHBondContact O-CD2 3.16Å; E487-F491 PolarHBondContact O-N 2.89Å; E487-F491 VanDerWaalsContact OE1-CD2 3.31Å; E487-F491 WeakPolarHBondContact OE1-CD2 3.18Å; E487-Q749 PolarHBondContact OE1-NE2 3.05Å; E487-Q749 PolarHBondContact OE1-OE1 3.3Å; E487-K752 IonicContact OE1-NZ 2.68Å; E487-K752 PolarHBondContact OE1-NZ 2.92Å; E487-K752 IonicContact OE2-NZ 3.04Å; E487-K752 PolarHBondContact OE2-NZ 3.32Å
488	H	94.1	Very high	93.6	Very high	47 Å²	47	30.6 Å²	30.6	22%	0.218	16%	0.156	C	C	.	.	H	α-helix	trans	-64	-36.4	179	-172.3	71.2	0	0	0	112.3	L408 L446 A484 L485 G492	L408-H488 HydrophobicContact CD1-CB 4.21Å; L408-H488 HydrophobicContact CD2-CB 4.48Å; L446-H488 HydrophobicContact CD2-CB 3.68Å; L446-H488 WeakPolarHBondContact CD2-CD2 3.42Å; L446-H488 VanDerWaalsContact CD2-CG 3.44Å; A484-H488 PolarHBondContact O-N 3.32Å; A484-H488 VanDerWaalsContact O-N 3.11Å; L485-H488 PolarHBondContact O-N 3.24Å; H488-G492 WeakPolarHBondContact O-CA 3.39Å; H488-G492 PolarHBondContact O-N 2.66Å
489	Y	93.7	Very high	93.1	Very high	74 Å²	74	35 Å²	35	29%	0.29	18%	0.183	S	C	.	.	H	α-helix	trans	-66.3	-44.6	177.6	175	-108	0	0	0	113.5	V210 L485 L486 E487	V210-Y489 HydrophobicContact CB-CD2 3.75Å; V210-Y489 HydrophobicContact CB-CE2 3.67Å; V210-Y489 HydrophobicContact CG2-CD2 4.15Å; V210-Y489 HydrophobicContact CG2-CE2 3.68Å; V210-Y489 WeakPolarHBondContact O-CE1 3.28Å; V210-Y489 VanDerWaalsContact O-CZ 3.25Å; L485-Y489 WeakPolarHBondContact O-CB 3.37Å; L485-Y489 PolarHBondContact O-N 2.86Å; L486-Y489 HydrophobicContact CD1-CD1 4.29Å; L486-Y489 PolarHBondContact O-N 3.42Å; E487-Y489 VanDerWaalsContact C-N 3.31Å; E487-Y489 PolarHBondContact O-N 3.43Å
490	L	91.3	Very high	92.8	Very high	47 Å²	47	37.1 Å²	37.1	25%	0.246	20%	0.199	C	C	.	.	H	α-helix	trans	-76.6	-38.4	-176.3	-68	175.9	0	0	0	112.9	L486 E487 K526	L486-L490 HydrophobicContact CD1-CD1 3.81Å; L486-L490 HydrophobicContact CD1-CD2 4.33Å; L486-L490 HydrophobicContact CD1-CG 3.81Å; L486-L490 HydrophobicContact CD2-CD1 4.49Å; L486-L490 HydrophobicContact CG-CD1 3.85Å; L486-L490 HydrophobicContact CG-CG 4.26Å; L486-L490 WeakPolarHBondContact O-CB 3.15Å; L486-L490 WeakPolarHBondContact O-CG 3.26Å; L486-L490 PolarHBondContact O-N 2.73Å; E487-L490 PolarHBondContact O-N 3.36Å; L490-K526 PolarHBondContact O-NZ 3.41Å
491	F	90.8	Very high	92.4	Very high	28 Å²	28	37.3 Å²	37.3	12%	0.123	20%	0.2	C	C	.	.	H	α-helix	trans	-109.6	-24.1	-169.2	-52	-63	0	0	0	113.5	E487 K526 F748 K752	E487-F491 VanDerWaalsContact CD-CD2 3.47Å; E487-F491 HydrophobicContact CG-CD2 4.35Å; E487-F491 VanDerWaalsContact O-CD2 3.23Å; E487-F491 WeakPolarHBondContact O-CD2 3.16Å; E487-F491 PolarHBondContact O-N 2.89Å; E487-F491 VanDerWaalsContact OE1-CD2 3.31Å; E487-F491 WeakPolarHBondContact OE1-CD2 3.18Å; F491-K526 HydrophobicContact CD1-CB 4.41Å; F491-K526 HydrophobicContact CD1-CD 4.13Å; F491-K526 HydrophobicContact CE1-CB 4.2Å; F491-F748 HydrophobicContact CB-CE1 3.86Å; F491-F748 AromaticContact CD1-CE1 3.55Å; F491-F748 HydrophobicContact CD1-CE1 3.55Å; F491-F748 AromaticContact CD1-CZ 3.46Å; F491-F748 HydrophobicContact CD1-CZ 3.46Å; F491-F748 VanDerWaalsContact CD1-CZ 3.46Å; F491-F748 HydrophobicContact CE1-CE1 4.41Å; F491-F748 HydrophobicContact CE1-CZ 4.08Å; F491-F748 AromaticContact CG-CE1 3.86Å; F491-F748 HydrophobicContact CG-CE1 3.86Å; F491-F748 HydrophobicContact CG-CZ 4.25Å; F491-K752 HydrophobicContact CD2-CD 4.47Å; F491-K752 HydrophobicContact CE1-CD 4.48Å; F491-K752 HydrophobicContact CE2-CD 4.47Å; F491-K752 HydrophobicContact CZ-CD 4.47Å
492	G	88.6	Confident	91.9	Very high	31 Å²	31	44.7 Å²	44.7	32%	0.32	23%	0.234	S	C	.	.			trans	69.6	-162.4	-179.8	0	0	0	0	0	113.5	H488	H488-G492 WeakPolarHBondContact O-CA 3.39Å; H488-G492 PolarHBondContact O-N 2.66Å
493	D	86.8	Confident	91.5	Very high	100 Å²	100	48 Å²	48	54%	0.535	26%	0.257	S	S	.	.			trans	-88.5	118.1	165.4	-163.3	-1.3	0	0	0	108.5	K412 E495	K412-D493 WeakPolarHBondContact CE-OD2 3.47Å; K412-D493 IonicContact NZ-OD1 2.73Å; K412-D493 PolarHBondContact NZ-OD1 2.99Å; K412-D493 IonicContact NZ-OD2 3.98Å; K412-D493 PolarHBondContact NZ-OD2 2.91Å; D493-E495 PolarHBondContact OD1-N 3.16Å
494	T	90	Very high	91.2	Very high	14 Å²	14	47 Å²	47	9%	0.086	25%	0.252	C	S	.	.			trans	-117.9	9.3	-175.6	21.5	0	0	0	0	112.1	F748	T494-F748 HydrophobicContact CG2-CB 3.95Å; T494-F748 HydrophobicContact CG2-CD1 4.08Å; T494-F748 HydrophobicContact CG2-CG 3.99Å
495	E	90	Very high	90.8	Very high	33 Å²	33	48.5 Å²	48.5	15%	0.154	26%	0.26	C	S	.	.			trans	-92.5	133.2	177.5	177.6	179.8	86.9	0	0	110.5	K412 D493 R738 I744 L745 D746	K412-E495 WeakPolarHBondContact CD-OE1 3.24Å; K412-E495 WeakPolarHBondContact CE-OE1 3.27Å; K412-E495 IonicContact NZ-OE1 3.75Å; K412-E495 PolarHBondContact NZ-OE1 2.88Å; D493-E495 PolarHBondContact OD1-N 3.16Å; E495-R738 IonicContact OE2-CZ 3.7Å; E495-R738 IonicContact OE2-NH1 2.71Å; E495-R738 PolarHBondContact OE2-NH1 2.75Å; E495-R738 IonicContact OE2-NH2 3.18Å; E495-R738 PolarHBondContact OE2-NH2 2.92Å; E495-I744 HydrophobicContact CG-CB 4.48Å; E495-I744 HydrophobicContact CG-CD1 4.36Å; E495-L745 WeakPolarHBondContact CA-O 3.39Å; E495-D746 HydrophobicContact CB-CB 4.14Å; E495-D746 HydrophobicContact CG-CB 4.43Å
496	L	89.9	Confident	90.3	Very high	28 Å²	28	51.8 Å²	51.8	15%	0.147	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.4	-171	-57.5	162.4	0	0	0	110	H504 I744 L745	L496-H504 HydrophobicContact CD1-CB 3.78Å; L496-H504 VanDerWaalsContact CD1-CD2 3.43Å; L496-H504 WeakPolarHBondContact CD1-CD2 3.49Å; L496-H504 HydrophobicContact CD2-CB 4.17Å; L496-I744 CarbonylContact O-C 3.58Å; L496-I744 VanDerWaalsContact O-CA 3.23Å; L496-I744 WeakPolarHBondContact O-CA 3.39Å; L496-I744 WeakPolarHBondContact O-CB 3.4Å; L496-L745 HydrophobicContact CB-CD1 4.37Å; L496-L745 HydrophobicContact CB-CG 4.13Å; L496-L745 HydrophobicContact CD1-CD1 4.03Å; L496-L745 PolarHBondContact N-O 3.48Å; L496-L745 PolarHBondContact O-N 3.37Å
497	E	89.6	Confident	89.9	Confident	123 Å²	123	57 Å²	57	58%	0.575	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	147.2	162.2	-66.2	174.4	-176.5	0	0	109.7	T499 S500 I744	E497-T499 PolarHBondContact O-N 2.97Å; E497-S500 WeakPolarHBondContact O-CB 3.4Å; E497-S500 PolarHBondContact O-N 3.31Å; E497-I744 HydrophobicContact CG-CG2 4.2Å
498	V	90.6	Very high	89.5	Confident	12 Å²	12	56.7 Å²	56.7	7%	0.073	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-52.9	-41.1	178.6	161.5	0	0	0	0	111.8	S500 L501 V739 G743 L745 I779 F788	V498-S500 PolarHBondContact O-N 2.96Å; V498-S500 VanDerWaalsContact O-N 3.14Å; V498-L501 WeakPolarHBondContact O-CB 3.28Å; V498-L501 PolarHBondContact O-N 3.49Å; V498-L501 VanDerWaalsContact O-N 3.16Å; V498-V739 HydrophobicContact CG2-CG1 3.96Å; V498-G743 VanDerWaalsContact CG2-O 3.31Å; V498-G743 WeakPolarHBondContact CG2-O 3.5Å; V498-G743 PolarHBondContact N-O 3.05Å; V498-L745 HydrophobicContact CG2-CD2 4.29Å; V498-I779 HydrophobicContact CB-CD1 4.38Å; V498-I779 HydrophobicContact CG1-CB 4.45Å; V498-I779 HydrophobicContact CG1-CD1 3.97Å; V498-I779 HydrophobicContact CG1-CG1 4Å; V498-I779 HydrophobicContact CG1-CG2 3.6Å; V498-I779 HydrophobicContact CG2-CD1 3.87Å; V498-I779 HydrophobicContact CG2-CG1 4.25Å; V498-F788 HydrophobicContact CB-CD1 4.49Å; V498-F788 HydrophobicContact CG1-CB 3.85Å; V498-F788 HydrophobicContact CG1-CD1 4.23Å; V498-F788 HydrophobicContact CG1-CG 4.01Å; V498-F788 HydrophobicContact CG2-CD1 4.05Å; V498-F788 HydrophobicContact CG2-CE1 4.48Å
499	T	88.1	Confident	88.9	Confident	93 Å²	93	57.5 Å²	57.5	57%	0.571	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-57.8	-22.5	174.8	55.8	0	0	0	0	114.5	E497	E497-T499 PolarHBondContact O-N 2.97Å
500	S	90.7	Very high	88.2	Confident	52 Å²	52	56.2 Å²	56.2	36%	0.364	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-97.8	-5	-178	-66.2	0	0	0	0	113.7	E497 V498 C503 H504	E497-S500 WeakPolarHBondContact O-CB 3.4Å; E497-S500 PolarHBondContact O-N 3.31Å; V498-S500 PolarHBondContact O-N 2.96Å; V498-S500 VanDerWaalsContact O-N 3.14Å; S500-C503 PolarHBondContact O-N 2.88Å; S500-H504 PolarHBondContact O-N 3.49Å
501	L	90.6	Very high	87.4	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.021	35%	0.354	C	S	.	.	H	α-helix	trans	-61.2	-51	-172.7	177.8	58.9	0	0	0	112.7	V498 C503 H504 L505 L745 Y772 V775 Q776 I779	V498-L501 WeakPolarHBondContact O-CB 3.28Å; V498-L501 PolarHBondContact O-N 3.49Å; V498-L501 VanDerWaalsContact O-N 3.16Å; L501-C503 VanDerWaalsContact C-N 3.29Å; L501-C503 PolarHBondContact O-N 2.95Å; L501-H504 CarbonylContact O-C 3.54Å; L501-H504 WeakPolarHBondContact O-CA 3.28Å; L501-H504 WeakPolarHBondContact O-CB 3.39Å; L501-H504 PolarHBondContact O-N 3.35Å; L501-L505 HydrophobicContact CD1-CD1 3.9Å; L501-L505 HydrophobicContact CD1-CD2 4.12Å; L501-L505 HydrophobicContact CD1-CG 3.8Å; L501-L505 HydrophobicContact CD2-CD1 4.46Å; L501-L505 HydrophobicContact CG-CD1 3.84Å; L501-L505 HydrophobicContact CG-CG 4.18Å; L501-L505 WeakPolarHBondContact O-CG 3.42Å; L501-L505 PolarHBondContact O-N 2.92Å; L501-L745 HydrophobicContact CB-CD2 4.35Å; L501-L745 HydrophobicContact CD1-CD1 3.95Å; L501-L745 HydrophobicContact CD1-CD2 4.41Å; L501-L745 HydrophobicContact CD2-CD2 4.34Å; L501-Y772 HydrophobicContact CD1-CD1 4.24Å; L501-V775 HydrophobicContact CD2-CG1 4.18Å; L501-Q776 HydrophobicContact CD2-CB 4.12Å; L501-I779 HydrophobicContact CD2-CD1 3.48Å; L501-I779 VanDerWaalsContact CD2-CD1 3.48Å
502	E	88	Confident	86	Confident	155 Å²	155	60.8 Å²	60.8	72%	0.724	36%	0.363	S	S	*	.	H	α-helix	trans	-56.3	-44.8	-179.2	-172.5	-172.9	-170.9	0	0	111.5	H504 L505 A506	E502-H504 VanDerWaalsContact C-N 3.3Å; E502-H504 PolarHBondContact O-N 3.31Å; E502-L505 PolarHBondContact O-N 2.95Å; E502-A506 WeakPolarHBondContact O-CB 3.23Å; E502-A506 PolarHBondContact O-N 3.38Å
503	C	88.4	Confident	84.5	Confident	71 Å²	71	66 Å²	66	48%	0.48	39%	0.391	S	S	.	.	H	α-helix	trans	-65.9	-29.7	176.8	-170.6	0	0	0	0	112.9	S500 L501 K507	S500-C503 PolarHBondContact O-N 2.88Å; L501-C503 VanDerWaalsContact C-N 3.29Å; L501-C503 PolarHBondContact O-N 2.95Å; C503-K507 VanDerWaalsContact O-CD 3.25Å; C503-K507 WeakPolarHBondContact O-CD 3.44Å; C503-K507 WeakPolarHBondContact O-CE 3.45Å; C503-K507 VanDerWaalsContact O-CG 3.27Å; C503-K507 WeakPolarHBondContact O-CG 3.47Å; C503-K507 PolarHBondContact O-N 3.21Å; C503-K507 VanDerWaalsContact SG-CE 3.59Å; C503-K507 PolarHBondContact SG-NZ 2.98Å
504	H	89.8	Confident	83.4	Confident	34 Å²	34	65.6 Å²	65.6	16%	0.157	41%	0.41	C	S	.	.	H	α-helix	trans	-74	-45.4	172.9	-176.4	79.2	0	0	0	111.6	L496 S500 L501 E502 A506 K507 L508 E523 Y772	L496-H504 HydrophobicContact CD1-CB 3.78Å; L496-H504 VanDerWaalsContact CD1-CD2 3.43Å; L496-H504 WeakPolarHBondContact CD1-CD2 3.49Å; L496-H504 HydrophobicContact CD2-CB 4.17Å; S500-H504 PolarHBondContact O-N 3.49Å; L501-H504 CarbonylContact O-C 3.54Å; L501-H504 WeakPolarHBondContact O-CA 3.28Å; L501-H504 WeakPolarHBondContact O-CB 3.39Å; L501-H504 PolarHBondContact O-N 3.35Å; E502-H504 VanDerWaalsContact C-N 3.3Å; E502-H504 PolarHBondContact O-N 3.31Å; H504-A506 VanDerWaalsContact C-N 3.33Å; H504-A506 PolarHBondContact O-N 3.16Å; H504-K507 CarbonylContact O-C 3.52Å; H504-K507 WeakPolarHBondContact O-CA 3.16Å; H504-K507 WeakPolarHBondContact O-CB 3.22Å; H504-K507 PolarHBondContact O-N 3.41Å; H504-L508 WeakPolarHBondContact NE2-CD1 3.37Å; H504-L508 WeakPolarHBondContact NE2-CD2 3.39Å; H504-L508 WeakPolarHBondContact NE2-CG 3.47Å; H504-L508 PolarHBondContact O-N 3.37Å; H504-E523 IonicContact CE1-OE1 2.76Å; H504-E523 PolarHBondContact CE1-OE1 3.13Å; H504-E523 IonicContact NE2-OE1 2.74Å; H504-E523 PolarHBondContact NE2-OE1 3.49Å; H504-E523 VanDerWaalsContact NE2-OE1 3.09Å; H504-E523 IonicContact NE2-OE2 2.77Å; H504-Y772 AromaticContact CD2-CE1 3.82Å; H504-Y772 AromaticContact NE2-CE1 3.58Å; H504-Y772 AromaticContact NE2-CE2 3.99Å; H504-Y772 AromaticContact NE2-CZ 3.11Å; H504-Y772 PolarHBondContact NE2-OH 2.93Å
505	L	88.6	Confident	82.1	Confident	33 Å²	33	67.8 Å²	67.8	17%	0.173	43%	0.43	C	S	.	.	H	α-helix	trans	-61	-41.4	178	-64.7	175.4	0	0	0	111.8	L501 E502 K507 L508 G509 Y772 Q776	L501-L505 HydrophobicContact CD1-CD1 3.9Å; L501-L505 HydrophobicContact CD1-CD2 4.12Å; L501-L505 HydrophobicContact CD1-CG 3.8Å; L501-L505 HydrophobicContact CD2-CD1 4.46Å; L501-L505 HydrophobicContact CG-CD1 3.84Å; L501-L505 HydrophobicContact CG-CG 4.18Å; L501-L505 WeakPolarHBondContact O-CG 3.42Å; L501-L505 PolarHBondContact O-N 2.92Å; E502-L505 PolarHBondContact O-N 2.95Å; L505-K507 VanDerWaalsContact C-N 3.25Å; L505-K507 PolarHBondContact O-N 2.87Å; L505-L508 PolarHBondContact O-N 3.3Å; L505-L508 VanDerWaalsContact O-N 3.14Å; L505-G509 PolarHBondContact O-N 3.17Å; L505-Y772 HydrophobicContact CD2-CD1 3.61Å; L505-Y772 HydrophobicContact CD2-CE1 4.42Å; L505-Y772 HydrophobicContact CD2-CG 3.86Å; L505-Q776 HydrophobicContact CD1-CB 4.05Å; L505-Q776 HydrophobicContact CD1-CG 4.16Å
506	A	87.4	Confident	81.1	Confident	69 Å²	69	70.1 Å²	70.1	57%	0.57	46%	0.463	S	S	*	.	H	α-helix	trans	-59.8	-33.1	172.8	0	0	0	0	0	113.1	E502 H504 A510	E502-A506 WeakPolarHBondContact O-CB 3.23Å; E502-A506 PolarHBondContact O-N 3.38Å; H504-A506 VanDerWaalsContact C-N 3.33Å; H504-A506 PolarHBondContact O-N 3.16Å; A506-A510 PolarHBondContact O-N 3.42Å
507	K	87.3	Confident	80.5	Confident	131 Å²	131	70.1 Å²	70.1	57%	0.57	46%	0.464	S	S	*	.	H	α-helix	trans	-76.8	-35	173.9	-67.8	161.2	-170.8	155.7	0	112.4	C503 H504 L505 A510	C503-K507 VanDerWaalsContact O-CD 3.25Å; C503-K507 WeakPolarHBondContact O-CD 3.44Å; C503-K507 WeakPolarHBondContact O-CE 3.45Å; C503-K507 VanDerWaalsContact O-CG 3.27Å; C503-K507 WeakPolarHBondContact O-CG 3.47Å; C503-K507 PolarHBondContact O-N 3.21Å; C503-K507 VanDerWaalsContact SG-CE 3.59Å; C503-K507 PolarHBondContact SG-NZ 2.98Å; H504-K507 CarbonylContact O-C 3.52Å; H504-K507 WeakPolarHBondContact O-CA 3.16Å; H504-K507 WeakPolarHBondContact O-CB 3.22Å; H504-K507 PolarHBondContact O-N 3.41Å; L505-K507 VanDerWaalsContact C-N 3.25Å; L505-K507 PolarHBondContact O-N 2.87Å; K507-A510 PolarHBondContact O-N 3.06Å
508	L	85.4	Confident	80.4	Confident	11 Å²	11	65.1 Å²	65.1	6%	0.058	44%	0.443	C	S	.	.	H	α-helix	trans	-69	-39	176.8	-71.1	-172.7	0	0	0	112.4	H504 L505 A510 G519 L520 E523 Y772	H504-L508 WeakPolarHBondContact NE2-CD1 3.37Å; H504-L508 WeakPolarHBondContact NE2-CD2 3.39Å; H504-L508 WeakPolarHBondContact NE2-CG 3.47Å; H504-L508 PolarHBondContact O-N 3.37Å; L505-L508 PolarHBondContact O-N 3.3Å; L505-L508 VanDerWaalsContact O-N 3.14Å; L508-A510 VanDerWaalsContact C-N 3.29Å; L508-G519 WeakPolarHBondContact O-CA 3.49Å; L508-G519 PolarHBondContact O-N 3.32Å; L508-L520 HydrophobicContact CB-CB 4.25Å; L508-L520 HydrophobicContact CD1-CD1 3.89Å; L508-L520 PolarHBondContact O-N 3.02Å; L508-E523 HydrophobicContact CD2-CG 4.19Å; L508-Y772 HydrophobicContact CD1-CD2 4.1Å; L508-Y772 HydrophobicContact CD1-CE1 4.13Å; L508-Y772 HydrophobicContact CD1-CE2 3.68Å; L508-Y772 HydrophobicContact CD1-CG 4.48Å
509	G	81.4	Confident	80.3	Confident	64 Å²	64	64.9 Å²	64.9	66%	0.66	44%	0.444	S	S	*	.	S	Bend	trans	-74	-16.2	174.9	0	0	0	0	0	114.3	L505	L505-G509 PolarHBondContact O-N 3.17Å
510	A	79.3	Confident	80.4	Confident	48 Å²	48	61.4 Å²	61.4	40%	0.397	42%	0.421	S	S	.	.	S	Bend	trans	-76.5	140.3	175.6	0	0	0	0	0	111.9	A506 K507 L508 S512 G519	A506-A510 PolarHBondContact O-N 3.42Å; K507-A510 PolarHBondContact O-N 3.06Å; L508-A510 VanDerWaalsContact C-N 3.29Å; A510-S512 PolarHBondContact O-N 3.47Å; A510-G519 PolarHBondContact O-N 3.13Å
511	N	73.8	Confident	80.4	Confident	129 Å²	129	62.9 Å²	62.9	69%	0.69	42%	0.422	S	S	*	.	B	Isolated β-bridge	trans	-67.3	123.1	171.1	-76.7	-22	0	0	0	110.2	P513	N511-P513 WeakPolarHBondContact O-CD 3.4Å
512	S	62.1	Low	80.4	Confident	42 Å²	42	64.3 Å²	64.3	29%	0.294	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-71.8	123.7	-177.6	-77.1	0	0	0	0	111.1	A510 G514 A515 C517	A510-S512 PolarHBondContact O-N 3.47Å; S512-G514 PolarHBondContact O-N 2.91Å; S512-G514 VanDerWaalsContact O-N 3.09Å; S512-A515 PolarHBondContact O-N 2.95Å; S512-C517 PolarHBondContact N-O 3.35Å
513	P	57.3	Low	80.6	Confident	140 Å²	140	57.9 Å²	57.9	91%	0.909	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	116.3	-178.2	-28.1	35.8	0	0	0	112.7	N511	N511-P513 WeakPolarHBondContact O-CD 3.4Å
514	G	62.8	Low	80.9	Confident	91 Å²	91	55.5 Å²	55.5	94%	0.938	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-6.7	-179.9	0	0	0	0	0	116.3	S512	S512-G514 PolarHBondContact O-N 2.91Å; S512-G514 VanDerWaalsContact O-N 3.09Å
515	A	62.2	Low	81	Confident	61 Å²	61	61 Å²	61	50%	0.504	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-26.6	179.7	0	0	0	0	0	114.1	S512 C517	S512-A515 PolarHBondContact O-N 2.95Å; A515-C517 PolarHBondContact O-N 2.89Å
516	G	70.6	Confident	81.2	Confident	82 Å²	82	63.5 Å²	63.5	85%	0.845	42%	0.419	S	S	*	.	S	Bend	trans	75.2	6.1	-178	0	0	0	0	0	115.4
517	C	77.4	Confident	81.4	Confident	27 Å²	27	60.3 Å²	60.3	18%	0.182	39%	0.393	C	S	.	.	S	Bend	trans	-136	168.4	176	70.4	0	0	0	0	111.1	S512 A515 E521	S512-C517 PolarHBondContact N-O 3.35Å; A515-C517 PolarHBondContact O-N 2.89Å; C517-E521 HydrophobicContact CB-CB 3.94Å; C517-E521 WeakPolarHBondContact CB-OE2 3.47Å
518	S	86.5	Confident	81.7	Confident	18 Å²	18	57.8 Å²	57.8	13%	0.126	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-65.7	162.1	171.7	63.8	0	0	0	0	112.3	L520 E521 A522	S518-L520 VanDerWaalsContact C-N 3.3Å; S518-E521 WeakPolarHBondContact CB-OE2 3.2Å; S518-E521 PolarHBondContact N-OE2 3.04Å; S518-E521 PolarHBondContact O-N 3.02Å; S518-E521 WeakPolarHBondContact OG-CB 3.48Å; S518-E521 VanDerWaalsContact OG-CG 3.22Å; S518-E521 WeakPolarHBondContact OG-CG 3.49Å; S518-E521 PolarHBondContact OG-N 3.39Å; S518-E521 VanDerWaalsContact OG-N 3.12Å; S518-E521 PolarHBondContact OG-OE2 2.65Å; S518-A522 PolarHBondContact O-N 3.22Å; S518-A522 VanDerWaalsContact O-N 3.09Å
519	G	87.7	Confident	81.8	Confident	8 Å²	8	61.5 Å²	61.5	8%	0.082	42%	0.415	C	S	.	.	H	α-helix	trans	-61.8	-37.1	170.8	0	0	0	0	0	112.6	L508 A510 A522 E523	L508-G519 WeakPolarHBondContact O-CA 3.49Å; L508-G519 PolarHBondContact O-N 3.32Å; A510-G519 PolarHBondContact O-N 3.13Å; G519-A522 WeakPolarHBondContact O-CB 3.21Å; G519-A522 PolarHBondContact O-N 3.19Å; G519-E523 PolarHBondContact O-N 3.47Å
520	L	90.4	Very high	82	Confident	19 Å²	19	60.2 Å²	60.2	10%	0.099	39%	0.393	C	S	.	.	H	α-helix	trans	-62.7	-44.8	176.5	-170.4	75.2	0	0	0	112.2	L508 S518 A522 E523 F524 L765 Y768 E769 Y772	L508-L520 HydrophobicContact CB-CB 4.25Å; L508-L520 HydrophobicContact CD1-CD1 3.89Å; L508-L520 PolarHBondContact O-N 3.02Å; S518-L520 VanDerWaalsContact C-N 3.3Å; L520-A522 VanDerWaalsContact C-N 3.32Å; L520-A522 PolarHBondContact O-N 2.64Å; L520-E523 PolarHBondContact O-N 3.32Å; L520-F524 WeakPolarHBondContact O-CB 3.39Å; L520-F524 PolarHBondContact O-N 2.86Å; L520-L765 HydrophobicContact CD2-CD1 4.11Å; L520-L765 HydrophobicContact CG-CD1 4.05Å; L520-Y768 HydrophobicContact CD1-CD1 3.6Å; L520-Y768 HydrophobicContact CD1-CE1 3.72Å; L520-Y768 HydrophobicContact CG-CD1 4.17Å; L520-E769 HydrophobicContact CD2-CB 3.68Å; L520-E769 HydrophobicContact CD2-CG 3.75Å; L520-Y772 HydrophobicContact CD1-CD2 3.87Å; L520-Y772 HydrophobicContact CD1-CE2 4.09Å
521	E	91.6	Very high	82.4	Confident	83 Å²	83	66.5 Å²	66.5	39%	0.388	41%	0.411	S	S	.	.	H	α-helix	trans	-63	-39.1	174	-75.3	166.3	112.5	0	0	111.9	C517 S518 F524 K525 L765	C517-E521 HydrophobicContact CB-CB 3.94Å; C517-E521 WeakPolarHBondContact CB-OE2 3.47Å; S518-E521 WeakPolarHBondContact CB-OE2 3.2Å; S518-E521 PolarHBondContact N-OE2 3.04Å; S518-E521 PolarHBondContact O-N 3.02Å; S518-E521 WeakPolarHBondContact OG-CB 3.48Å; S518-E521 VanDerWaalsContact OG-CG 3.22Å; S518-E521 WeakPolarHBondContact OG-CG 3.49Å; S518-E521 PolarHBondContact OG-N 3.39Å; S518-E521 VanDerWaalsContact OG-N 3.12Å; S518-E521 PolarHBondContact OG-OE2 2.65Å; E521-F524 PolarHBondContact O-N 2.79Å; E521-K525 WeakPolarHBondContact O-CB 3.47Å; E521-K525 PolarHBondContact O-N 3.28Å; E521-L765 HydrophobicContact CG-CD1 4.12Å; E521-L765 HydrophobicContact CG-CD2 3.55Å
522	A	89.9	Confident	83.2	Confident	35 Å²	35	62.6 Å²	62.6	29%	0.289	39%	0.39	S	S	.	.	H	α-helix	trans	-64	-41.3	177.5	0	0	0	0	0	112	S518 G519 L520 K526	S518-A522 PolarHBondContact O-N 3.22Å; S518-A522 VanDerWaalsContact O-N 3.09Å; G519-A522 WeakPolarHBondContact O-CB 3.21Å; G519-A522 PolarHBondContact O-N 3.19Å; L520-A522 VanDerWaalsContact C-N 3.32Å; L520-A522 PolarHBondContact O-N 2.64Å; A522-K526 PolarHBondContact O-N 2.86Å
523	E	91.9	Very high	84.3	Confident	20 Å²	20	62.9 Å²	62.9	9%	0.093	39%	0.387	C	S	.	.	H	α-helix	trans	-64.6	-51.8	171.1	-76.7	-166.2	176.8	0	0	112.2	H504 L508 G519 L520 K525 K526 L527 F748 Y768 Y772	H504-E523 IonicContact CE1-OE1 2.76Å; H504-E523 PolarHBondContact CE1-OE1 3.13Å; H504-E523 IonicContact NE2-OE1 2.74Å; H504-E523 PolarHBondContact NE2-OE1 3.49Å; H504-E523 VanDerWaalsContact NE2-OE1 3.09Å; H504-E523 IonicContact NE2-OE2 2.77Å; L508-E523 HydrophobicContact CD2-CG 4.19Å; G519-E523 PolarHBondContact O-N 3.47Å; L520-E523 PolarHBondContact O-N 3.32Å; E523-K525 PolarHBondContact O-N 3.04Å; E523-K526 WeakPolarHBondContact O-CA 3.45Å; E523-K526 WeakPolarHBondContact O-CB 3.35Å; E523-K526 PolarHBondContact O-N 3.5Å; E523-L527 PolarHBondContact O-N 3.42Å; E523-F748 HydrophobicContact CB-CD2 4.14Å; E523-F748 HydrophobicContact CB-CE2 4.36Å; E523-F748 HydrophobicContact CG-CD2 4.35Å; E523-Y768 HydrophobicContact CB-CE1 4Å; E523-Y768 PolarHBondContact OE2-OH 2.96Å; E523-Y772 PolarHBondContact OE2-OH 3.49Å
524	F	94.4	Very high	85.8	Confident	21 Å²	21	61.2 Å²	61.2	9%	0.092	37%	0.37	C	S	.	.	H	α-helix	trans	-61.6	-32.8	-177.8	-170.6	-104.8	0	0	0	112.1	L520 E521 L527 T528 T764 L765 Y768	L520-F524 WeakPolarHBondContact O-CB 3.39Å; L520-F524 PolarHBondContact O-N 2.86Å; E521-F524 PolarHBondContact O-N 2.79Å; F524-L527 HydrophobicContact CD2-CD1 4.31Å; F524-L527 WeakPolarHBondContact O-CB 3.01Å; F524-L527 PolarHBondContact O-N 2.8Å; F524-L527 VanDerWaalsContact O-N 3.13Å; F524-T528 HydrophobicContact CD1-CG2 4.08Å; F524-T528 HydrophobicContact CE1-CG2 3.71Å; F524-T528 HydrophobicContact CZ-CG2 4.17Å; F524-T528 PolarHBondContact O-N 2.86Å; F524-T528 PolarHBondContact O-OG1 2.77Å; F524-T764 WeakPolarHBondContact CE2-O 3.45Å; F524-T764 WeakPolarHBondContact CZ-O 3.4Å; F524-L765 HydrophobicContact CB-CD1 3.65Å; F524-L765 HydrophobicContact CD1-CB 4.15Å; F524-L765 HydrophobicContact CD1-CD1 4.19Å; F524-L765 HydrophobicContact CE1-CB 4.37Å; F524-L765 HydrophobicContact CG-CD1 3.98Å; F524-Y768 HydrophobicContact CB-CD1 4.09Å; F524-Y768 HydrophobicContact CD2-CD1 4.06Å; F524-Y768 HydrophobicContact CD2-CD2 4.34Å; F524-Y768 AromaticContact CD2-CG 3.74Å; F524-Y768 HydrophobicContact CD2-CG 3.74Å; F524-Y768 HydrophobicContact CE2-CG 4.46Å
525	K	93.4	Very high	86.9	Confident	149 Å²	149	61.6 Å²	61.6	65%	0.648	35%	0.351	S	S	*	.	H	α-helix	trans	-61.8	-39.9	171.5	-172.3	173.9	-177.7	177	0	112.6	E521 E523 L527 T528 S529	E521-K525 WeakPolarHBondContact O-CB 3.47Å; E521-K525 PolarHBondContact O-N 3.28Å; E523-K525 PolarHBondContact O-N 3.04Å; K525-L527 VanDerWaalsContact C-N 3.28Å; K525-L527 PolarHBondContact O-N 3.27Å; K525-T528 WeakPolarHBondContact CA-OG1 3.48Å; K525-T528 PolarHBondContact O-N 3.42Å; K525-T528 PolarHBondContact O-OG1 3.44Å; K525-S529 PolarHBondContact O-N 3.43Å; K525-S529 PolarHBondContact O-OG 3.12Å
526	K	92.2	Very high	88.3	Confident	86 Å²	86	61.7 Å²	61.7	37%	0.374	34%	0.34	S	S	.	.	H	α-helix	trans	-61.2	-37.4	171.7	-65.8	-174.4	-175.9	-168.7	0	111.8	L490 F491 A522 E523 S529 F748	L490-K526 PolarHBondContact O-NZ 3.41Å; F491-K526 HydrophobicContact CD1-CB 4.41Å; F491-K526 HydrophobicContact CD1-CD 4.13Å; F491-K526 HydrophobicContact CE1-CB 4.2Å; A522-K526 PolarHBondContact O-N 2.86Å; E523-K526 WeakPolarHBondContact O-CA 3.45Å; E523-K526 WeakPolarHBondContact O-CB 3.35Å; E523-K526 PolarHBondContact O-N 3.5Å; K526-S529 WeakPolarHBondContact CA-OG 3.15Å; K526-S529 PolarHBondContact O-OG 2.93Å; K526-F748 HydrophobicContact CB-CE2 3.97Å; K526-F748 HydrophobicContact CB-CZ 3.92Å; K526-F748 HydrophobicContact CD-CE2 4.46Å; K526-F748 HydrophobicContact CD-CZ 4.34Å
527	L	92.5	Very high	89.4	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-69.3	-32	176.1	-62.6	173.6	0	0	0	112.5	E523 F524 K525 I530 F748 V751 K752 R755 Y768	E523-L527 PolarHBondContact O-N 3.42Å; F524-L527 HydrophobicContact CD2-CD1 4.31Å; F524-L527 WeakPolarHBondContact O-CB 3.01Å; F524-L527 PolarHBondContact O-N 2.8Å; F524-L527 VanDerWaalsContact O-N 3.13Å; K525-L527 VanDerWaalsContact C-N 3.28Å; K525-L527 PolarHBondContact O-N 3.27Å; L527-I530 HydrophobicContact CD2-CD1 4.3Å; L527-I530 WeakPolarHBondContact O-CG1 3.31Å; L527-F748 HydrophobicContact CD1-CD2 4.24Å; L527-F748 HydrophobicContact CD1-CE2 4.28Å; L527-F748 HydrophobicContact CD2-CD2 3.98Å; L527-F748 HydrophobicContact CD2-CE1 4.16Å; L527-F748 HydrophobicContact CD2-CE2 3.58Å; L527-F748 HydrophobicContact CD2-CG 4.43Å; L527-F748 HydrophobicContact CD2-CZ 3.65Å; L527-F748 HydrophobicContact CG-CD2 4.02Å; L527-F748 HydrophobicContact CG-CE2 3.58Å; L527-F748 HydrophobicContact CG-CZ 4.11Å; L527-V751 HydrophobicContact CD1-CB 4.19Å; L527-V751 HydrophobicContact CD1-CG1 3.86Å; L527-K752 HydrophobicContact CD2-CB 3.7Å; L527-K752 HydrophobicContact CD2-CD 4.41Å; L527-K752 HydrophobicContact CD2-CG 4.41Å; L527-R755 PolarHBondContact O-NH1 2.97Å; L527-Y768 HydrophobicContact CD1-CD2 3.85Å; L527-Y768 HydrophobicContact CD1-CE2 3.47Å; L527-Y768 VanDerWaalsContact CD1-CE2 3.47Å
528	T	92	Very high	90.2	Very high	78 Å²	78	64.9 Å²	64.9	48%	0.479	32%	0.323	S	S	.	.	H	α-helix	trans	-82.6	-21.4	177.7	57.6	0	0	0	0	113.8	F524 K525 I530	F524-T528 HydrophobicContact CD1-CG2 4.08Å; F524-T528 HydrophobicContact CE1-CG2 3.71Å; F524-T528 HydrophobicContact CZ-CG2 4.17Å; F524-T528 PolarHBondContact O-N 2.86Å; F524-T528 PolarHBondContact O-OG1 2.77Å; K525-T528 WeakPolarHBondContact CA-OG1 3.48Å; K525-T528 PolarHBondContact O-N 3.42Å; K525-T528 PolarHBondContact O-OG1 3.44Å; T528-I530 PolarHBondContact O-N 3.23Å
529	S	88.7	Confident	90.6	Very high	90 Å²	90	64.9 Å²	64.9	63%	0.629	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-7.2	169.8	47.2	0	0	0	0	114.7	K525 K526 K531	K525-S529 PolarHBondContact O-N 3.43Å; K525-S529 PolarHBondContact O-OG 3.12Å; K526-S529 WeakPolarHBondContact CA-OG 3.15Å; K526-S529 PolarHBondContact O-OG 2.93Å; S529-K531 PolarHBondContact O-N 2.82Å
530	I	86.1	Confident	90.9	Very high	37 Å²	37	64.6 Å²	64.6	19%	0.19	32%	0.318	C	S	.	.	S	Bend	trans	-69.3	114.5	176.4	-57.4	174.6	0	0	0	109.6	L527 T528 I532 K752 L756	L527-I530 HydrophobicContact CD2-CD1 4.3Å; L527-I530 WeakPolarHBondContact O-CG1 3.31Å; T528-I530 PolarHBondContact O-N 3.23Å; I530-I532 PolarHBondContact O-N 3.33Å; I530-K752 HydrophobicContact CD1-CB 4.42Å; I530-K752 HydrophobicContact CD1-CD 3.88Å; I530-K752 HydrophobicContact CD1-CG 3.69Å; I530-L756 HydrophobicContact CG2-CD2 4.12Å
531	K	86.5	Confident	91.1	Very high	180 Å²	180	67.2 Å²	67.2	78%	0.783	33%	0.333	S	S	*	.			trans	-66.1	124	-177.8	-175.3	179	178.4	-178.1	0	112.4	S529	S529-K531 PolarHBondContact O-N 2.82Å
532	I	90.3	Very high	91.3	Very high	46 Å²	46	66.5 Å²	66.5	24%	0.236	33%	0.331	C	S	.	.			trans	-66.6	132	172.4	-63.6	171.5	0	0	0	110.3	I530 N534 M537 Y557 P759 H760	I530-I532 PolarHBondContact O-N 3.33Å; I532-N534 VanDerWaalsContact C-N 3.32Å; I532-N534 PolarHBondContact O-N 2.89Å; I532-N534 VanDerWaalsContact O-N 3.08Å; I532-N534 PolarHBondContact O-ND2 3.42Å; I532-M537 HydrophobicContact CG2-CE 4.33Å; I532-M537 HydrophobicContact CG2-SD 3.5Å; I532-M537 WeakPolarHBondContact CG2-SD 3.48Å; I532-Y557 HydrophobicContact CG2-CE1 4.38Å; I532-P759 HydrophobicContact CG2-CG 4.34Å; I532-H760 VanDerWaalsContact CD1-NE2 3.28Å; I532-H760 WeakPolarHBondContact CD1-NE2 3.18Å
533	Q	86.4	Confident	91.5	Very high	48 Å²	48	69.7 Å²	69.7	22%	0.224	35%	0.349	C	S	.	.			trans	-88.8	67	-174.1	-61.9	179.8	9.6	0	0	110.9	D535 K536 Y557	Q533-D535 VanDerWaalsContact C-OD1 3.31Å; Q533-D535 PolarHBondContact O-N 3.27Å; Q533-D535 VanDerWaalsContact O-N 3.14Å; Q533-K536 HydrophobicContact CB-CB 4.46Å; Q533-K536 HydrophobicContact CB-CD 4.2Å; Q533-K536 HydrophobicContact CB-CG 4.29Å; Q533-K536 WeakPolarHBondContact O-CB 3.28Å; Q533-K536 PolarHBondContact O-N 3.38Å; Q533-Y557 HydrophobicContact CB-CD1 4.35Å; Q533-Y557 HydrophobicContact CB-CE1 3.79Å; Q533-Y557 PolarHBondContact N-OH 3.01Å
534	N	87.6	Confident	91.4	Very high	106 Å²	106	72.5 Å²	72.5	57%	0.567	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-53.3	-32.4	-177.5	-65.7	-63.4	0	0	0	113.4	I532 K536 M537	I532-N534 VanDerWaalsContact C-N 3.32Å; I532-N534 PolarHBondContact O-N 2.89Å; I532-N534 VanDerWaalsContact O-N 3.08Å; I532-N534 PolarHBondContact O-ND2 3.42Å; N534-K536 PolarHBondContact O-N 3.25Å; N534-M537 PolarHBondContact O-N 2.89Å
535	D	87.4	Confident	91.5	Very high	98 Å²	98	71.5 Å²	71.5	52%	0.524	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-61.4	-20	175.6	60.6	-67.1	0	0	0	113.9	Q533 R538	Q533-D535 VanDerWaalsContact C-OD1 3.31Å; Q533-D535 PolarHBondContact O-N 3.27Å; Q533-D535 VanDerWaalsContact O-N 3.14Å; D535-R538 WeakPolarHBondContact O-CG 3.46Å; D535-R538 PolarHBondContact O-NE 2.87Å
536	K	89.8	Confident	91.6	Very high	63 Å²	63	68.1 Å²	68.1	27%	0.274	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-102.2	3.3	175.8	-57.3	-173.3	-176.7	171.8	0	113.8	Q533 N534 R538 Y557 E558 F559	Q533-K536 HydrophobicContact CB-CB 4.46Å; Q533-K536 HydrophobicContact CB-CD 4.2Å; Q533-K536 HydrophobicContact CB-CG 4.29Å; Q533-K536 WeakPolarHBondContact O-CB 3.28Å; Q533-K536 PolarHBondContact O-N 3.38Å; N534-K536 PolarHBondContact O-N 3.25Å; K536-R538 VanDerWaalsContact C-N 3.32Å; K536-R538 PolarHBondContact O-N 2.81Å; K536-Y557 HydrophobicContact CB-CD1 4.1Å; K536-E558 WeakPolarHBondContact O-CB 3.46Å; K536-E558 PolarHBondContact O-N 3.38Å; K536-F559 HydrophobicContact CD-CD1 4.28Å
537	M	94.1	Very high	91.8	Very high	3 Å²	3	70.6 Å²	70.6	2%	0.015	36%	0.359	C	S	.	.			trans	-99.4	41	-178.7	-64.1	165.8	66.6	0	0	110.7	I532 N534 N541 I555 Y557 P759	I532-M537 HydrophobicContact CG2-CE 4.33Å; I532-M537 HydrophobicContact CG2-SD 3.5Å; I532-M537 WeakPolarHBondContact CG2-SD 3.48Å; N534-M537 PolarHBondContact O-N 2.89Å; M537-N541 PolarHBondContact O-ND2 3.46Å; M537-I555 HydrophobicContact CB-CD1 3.95Å; M537-I555 HydrophobicContact CB-CG1 4.13Å; M537-I555 HydrophobicContact CE-CD1 4.11Å; M537-I555 HydrophobicContact CE-CG1 3.4Å; M537-I555 HydrophobicContact CG-CG1 4.47Å; M537-Y557 HydrophobicContact CG-CD1 3.55Å; M537-Y557 HydrophobicContact CG-CE1 3.73Å; M537-Y557 HydrophobicContact SD-CD1 4.2Å; M537-Y557 HydrophobicContact SD-CE1 3.74Å; M537-P759 HydrophobicContact CE-CG 3.92Å; M537-P759 HydrophobicContact SD-CG 4.15Å
538	R	93.7	Very high	92	Very high	174 Å²	174	71.5 Å²	71.5	66%	0.657	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-56.3	-165.5	-62.1	-171.8	-172.7	-159.1	0.2	113.1	D535 K536 G540 N541 L542	D535-R538 WeakPolarHBondContact O-CG 3.46Å; D535-R538 PolarHBondContact O-NE 2.87Å; K536-R538 VanDerWaalsContact C-N 3.32Å; K536-R538 PolarHBondContact O-N 2.81Å; R538-G540 VanDerWaalsContact C-N 3.26Å; R538-G540 PolarHBondContact O-N 3.27Å; R538-N541 PolarHBondContact O-N 2.76Å; R538-L542 PolarHBondContact O-N 3.46Å
539	T	95.1	Very high	92.3	Very high	18 Å²	18	68.5 Å²	68.5	11%	0.11	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-60.9	-34.9	-173.1	-59.8	0	0	0	0	112.8	N541 L542 N545 E558 Y575	T539-N541 VanDerWaalsContact C-N 3.33Å; T539-N541 PolarHBondContact O-N 2.96Å; T539-L542 HydrophobicContact CG2-CD1 4.23Å; T539-L542 WeakPolarHBondContact O-CB 3.39Å; T539-L542 WeakPolarHBondContact O-CG 3.48Å; T539-L542 PolarHBondContact O-N 3.18Å; T539-N545 WeakPolarHBondContact O-CB 3.33Å; T539-N545 PolarHBondContact O-ND2 3.18Å; T539-E558 VanDerWaalsContact CB-OE2 3.31Å; T539-E558 WeakPolarHBondContact CB-OE2 3.49Å; T539-E558 PolarHBondContact N-OE2 3.22Å; T539-E558 PolarHBondContact OG1-OE1 2.85Å; T539-E558 PolarHBondContact OG1-OE2 3.39Å; T539-Y575 HydrophobicContact CG2-CD2 3.76Å; T539-Y575 HydrophobicContact CG2-CG 4.23Å
540	G	94.6	Very high	92.7	Very high	1 Å²	1	66.5 Å²	66.5	1%	0.01	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-72.4	-20.4	175.2	0	0	0	0	0	115	R538 N549 Y575	R538-G540 VanDerWaalsContact C-N 3.26Å; R538-G540 PolarHBondContact O-N 3.27Å; G540-N549 PolarHBondContact O-ND2 3.48Å; G540-Y575 VanDerWaalsContact CA-CE2 3.45Å; G540-Y575 VanDerWaalsContact CA-CZ 3.42Å; G540-Y575 WeakPolarHBondContact CA-OH 3.39Å
541	N	95.4	Very high	93.2	Very high	74 Å²	74	67.4 Å²	67.4	40%	0.396	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-92	1.1	175.2	-82.8	-50.7	0	0	0	113.5	M537 R538 T539 I555	M537-N541 PolarHBondContact O-ND2 3.46Å; R538-N541 PolarHBondContact O-N 2.76Å; T539-N541 VanDerWaalsContact C-N 3.33Å; T539-N541 PolarHBondContact O-N 2.96Å; N541-I555 WeakPolarHBondContact ND2-CD1 3.13Å
542	L	94.6	Very high	93.5	Very high	68 Å²	68	63.1 Å²	63.1	36%	0.356	31%	0.314	S	S	.	.	S	Bend	trans	-64.2	139.6	171	-65.2	174.6	0	0	0	109.8	R538 T539 D544 N545 M546	R538-L542 PolarHBondContact O-N 3.46Å; T539-L542 HydrophobicContact CG2-CD1 4.23Å; T539-L542 WeakPolarHBondContact O-CB 3.39Å; T539-L542 WeakPolarHBondContact O-CG 3.48Å; T539-L542 PolarHBondContact O-N 3.18Å; L542-D544 VanDerWaalsContact C-N 3.29Å; L542-D544 PolarHBondContact O-N 3.49Å; L542-D544 VanDerWaalsContact O-N 3.15Å; L542-N545 HydrophobicContact CB-CB 4.41Å; L542-N545 CarbonylContact O-C 3.59Å; L542-N545 WeakPolarHBondContact O-CA 3.4Å; L542-N545 PolarHBondContact O-N 3.27Å; L542-M546 PolarHBondContact O-N 2.9Å
543	P	94.1	Very high	93.6	Very high	103 Å²	103	67.4 Å²	67.4	67%	0.669	33%	0.333	S	S	*	.	H	α-helix	trans	-52.1	-41.5	-174.8	-30.2	36.2	0	0	0	114.6	N545 M546	P543-N545 PolarHBondContact O-N 2.8Å; P543-M546 PolarHBondContact O-N 2.65Å
544	D	91.5	Very high	94.1	Very high	78 Å²	78	65.3 Å²	65.3	42%	0.417	32%	0.324	S	S	.	.	H	α-helix	trans	-64.9	-25.8	177.5	-59.4	-44.1	0	0	0	113.7	L542 K547 N572	L542-D544 VanDerWaalsContact C-N 3.29Å; L542-D544 PolarHBondContact O-N 3.49Å; L542-D544 VanDerWaalsContact O-N 3.15Å; D544-K547 WeakPolarHBondContact O-CE 3.44Å; D544-K547 WeakPolarHBondContact O-CG 3.47Å; D544-N572 HydrophobicContact CB-CB 4.25Å; D544-N572 PolarHBondContact OD2-ND2 3.36Å
545	N	95.7	Very high	94.6	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-96.8	-21.2	-178.4	-71.2	-29.7	0	0	0	112.9	T539 L542 P543 K547 K548 N549 N572 Y575	T539-N545 WeakPolarHBondContact O-CB 3.33Å; T539-N545 PolarHBondContact O-ND2 3.18Å; L542-N545 HydrophobicContact CB-CB 4.41Å; L542-N545 CarbonylContact O-C 3.59Å; L542-N545 WeakPolarHBondContact O-CA 3.4Å; L542-N545 PolarHBondContact O-N 3.27Å; P543-N545 PolarHBondContact O-N 2.8Å; N545-K547 VanDerWaalsContact C-N 3.25Å; N545-K547 PolarHBondContact O-N 2.91Å; N545-K548 WeakPolarHBondContact O-CA 3.34Å; N545-K548 WeakPolarHBondContact O-CB 3.13Å; N545-K548 PolarHBondContact O-N 3.05Å; N545-K548 WeakPolarHBondContact OD1-CD 3.49Å; N545-K548 WeakPolarHBondContact OD1-CE 3.35Å; N545-K548 PolarHBondContact OD1-NZ 3.24Å; N545-N549 PolarHBondContact O-ND2 2.68Å; N545-N572 PolarHBondContact OD1-O 3.14Å; N545-Y575 HydrophobicContact CB-CD1 3.6Å; N545-Y575 HydrophobicContact CB-CE1 3.88Å; N545-Y575 HydrophobicContact CB-CG 4.14Å; N545-Y575 VanDerWaalsContact CG-CD1 3.4Å; N545-Y575 WeakPolarHBondContact ND2-CB 3.43Å; N545-Y575 WeakPolarHBondContact OD1-CD1 3.47Å
546	M	95.4	Very high	95.1	Very high	79 Å²	79	55.8 Å²	55.8	39%	0.389	27%	0.273	S	S	.	.	H	α-helix	trans	-53.6	-43.3	176.6	-70.9	-174.5	74.2	0	0	112	L542 P543 K548 N549 L552	L542-M546 PolarHBondContact O-N 2.9Å; P543-M546 PolarHBondContact O-N 2.65Å; M546-K548 PolarHBondContact O-N 3.34Å; M546-N549 PolarHBondContact O-N 2.7Å; M546-N549 VanDerWaalsContact O-N 3.13Å; M546-L552 HydrophobicContact CB-CD2 4.48Å; M546-L552 HydrophobicContact CE-CD1 4.1Å; M546-L552 HydrophobicContact CE-CD2 4.08Å
547	K	96	Very high	95.4	Very high	138 Å²	138	53 Å²	53	60%	0.6	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.8	176.2	68.6	-173.5	178.3	-169.3	0	114.4	D544 N545 N549 H599	D544-K547 WeakPolarHBondContact O-CE 3.44Å; D544-K547 WeakPolarHBondContact O-CG 3.47Å; N545-K547 VanDerWaalsContact C-N 3.25Å; N545-K547 PolarHBondContact O-N 2.91Å; K547-N549 VanDerWaalsContact C-N 3.34Å; K547-H599 PolarHBondContact O-NE2 3.46Å
548	K	97.2	Very high	95.4	Very high	20 Å²	20	56.4 Å²	56.4	9%	0.087	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-6	176.5	-60	173.8	-179.6	168.5	0	112.2	N545 M546 N572 Y575 Q594 T600	N545-K548 WeakPolarHBondContact O-CA 3.34Å; N545-K548 WeakPolarHBondContact O-CB 3.13Å; N545-K548 PolarHBondContact O-N 3.05Å; N545-K548 WeakPolarHBondContact OD1-CD 3.49Å; N545-K548 WeakPolarHBondContact OD1-CE 3.35Å; N545-K548 PolarHBondContact OD1-NZ 3.24Å; M546-K548 PolarHBondContact O-N 3.34Å; K548-N572 PolarHBondContact NZ-O 3.22Å; K548-Y575 HydrophobicContact CB-CD1 4.45Å; K548-Y575 HydrophobicContact CB-CE1 4.28Å; K548-Y575 HydrophobicContact CD-CD1 3.91Å; K548-Y575 PolarHBondContact NZ-O 3.02Å; K548-Q594 PolarHBondContact O-NE2 3.36Å; K548-T600 HydrophobicContact CB-CG2 4.05Å; K548-T600 HydrophobicContact CG-CG2 4.14Å
549	N	97.8	Very high	95.2	Very high	14 Å²	14	52.8 Å²	52.8	8%	0.075	27%	0.266	C	S	.	.			trans	-100.7	125.4	-176.5	-54.8	-40.2	0	0	0	111.5	G540 N545 M546 K547 L552 I555 Y575	G540-N549 PolarHBondContact O-ND2 3.48Å; N545-N549 PolarHBondContact O-ND2 2.68Å; M546-N549 PolarHBondContact O-N 2.7Å; M546-N549 VanDerWaalsContact O-N 3.13Å; K547-N549 VanDerWaalsContact C-N 3.34Å; N549-L552 HydrophobicContact CB-CD2 4.33Å; N549-I555 HydrophobicContact CB-CG2 3.89Å; N549-I555 VanDerWaalsContact CG-CG2 3.4Å; N549-Y575 WeakPolarHBondContact OD1-CE1 3.48Å; N549-Y575 PolarHBondContact OD1-OH 3.43Å
550	R	97.4	Very high	95.2	Very high	48 Å²	48	52.6 Å²	52.6	18%	0.181	26%	0.264	C	S	.	.	S	Bend	trans	-72.7	-28.1	175	-170.4	177.8	-80.7	-85.7	4.4	112.7	G595 P596 L597 D628 K629 S720	R550-G595 PolarHBondContact NE-O 3.21Å; R550-G595 VanDerWaalsContact NE-O 3.11Å; R550-P596 PolarHBondContact NH2-O 3.31Å; R550-L597 HydrophobicContact CB-CD2 4.19Å; R550-L597 HydrophobicContact CG-CD2 4.2Å; R550-D628 IonicContact CZ-OD2 3.36Å; R550-D628 PolarHBondContact NH1-O 3.39Å; R550-D628 IonicContact NH1-OD2 2.71Å; R550-D628 PolarHBondContact NH1-OD2 2.99Å; R550-D628 IonicContact NH2-OD2 3.04Å; R550-D628 PolarHBondContact NH2-OD2 3.44Å; R550-K629 PolarHBondContact NE-O 3.41Å; R550-K629 PolarHBondContact NH1-O 2.89Å; R550-K629 PolarHBondContact NH2-O 3.05Å; R550-S720 WeakPolarHBondContact CD-O 3.28Å; R550-S720 VanDerWaalsContact CD-OG 3.27Å; R550-S720 WeakPolarHBondContact CD-OG 3.3Å
551	V	96.9	Very high	95.4	Very high	56 Å²	56	54 Å²	54	34%	0.339	27%	0.269	S	S	.	.	S	Bend	trans	-142.6	120.7	174.1	179.5	0	0	0	0	109.7	Q553 I554 A721	V551-Q553 VanDerWaalsContact C-N 3.3Å; V551-Q553 HydrophobicContact CG1-CB 4.48Å; V551-Q553 PolarHBondContact O-N 2.82Å; V551-I554 HydrophobicContact CB-CB 4.2Å; V551-I554 HydrophobicContact CB-CD1 4.27Å; V551-I554 HydrophobicContact CB-CG1 4.3Å; V551-I554 HydrophobicContact CG1-CB 4.28Å; V551-I554 HydrophobicContact CG1-CD1 3.94Å; V551-I554 HydrophobicContact CG1-CG1 3.89Å; V551-I554 CarbonylContact O-C 3.41Å; V551-I554 PolarHBondContact O-N 2.86Å; V551-A721 HydrophobicContact CB-CB 4.38Å; V551-A721 HydrophobicContact CG2-CB 3.83Å
552	L	93.1	Very high	95.5	Very high	90 Å²	90	50.5 Å²	50.5	47%	0.471	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-27.7	-173.9	-63.6	176.9	0	0	0	114.4	M546 N549 I554	M546-L552 HydrophobicContact CB-CD2 4.48Å; M546-L552 HydrophobicContact CE-CD1 4.1Å; M546-L552 HydrophobicContact CE-CD2 4.08Å; N549-L552 HydrophobicContact CB-CD2 4.33Å; L552-I554 VanDerWaalsContact C-N 3.28Å; L552-I554 PolarHBondContact O-N 3.09Å
553	Q	92.8	Very high	95.6	Very high	137 Å²	137	51.2 Å²	51.2	64%	0.64	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-9.4	175.5	-66.3	179.5	-6.2	0	0	113.3	V551	V551-Q553 VanDerWaalsContact C-N 3.3Å; V551-Q553 HydrophobicContact CG1-CB 4.48Å; V551-Q553 PolarHBondContact O-N 2.82Å
554	I	96.8	Very high	95.7	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.021	22%	0.223	C	C	.	.	S	Bend	trans	-123.9	73.4	-173.3	-52.5	176.2	0	0	0	108.5	V551 L552 N577 A721 A723 H760	V551-I554 HydrophobicContact CB-CB 4.2Å; V551-I554 HydrophobicContact CB-CD1 4.27Å; V551-I554 HydrophobicContact CB-CG1 4.3Å; V551-I554 HydrophobicContact CG1-CB 4.28Å; V551-I554 HydrophobicContact CG1-CD1 3.94Å; V551-I554 HydrophobicContact CG1-CG1 3.89Å; V551-I554 CarbonylContact O-C 3.41Å; V551-I554 PolarHBondContact O-N 2.86Å; L552-I554 VanDerWaalsContact C-N 3.28Å; L552-I554 PolarHBondContact O-N 3.09Å; I554-N577 PolarHBondContact O-ND2 3.11Å; I554-N577 PolarHBondContact O-OD1 3.33Å; I554-A721 HydrophobicContact CD1-CB 3.77Å; I554-A721 HydrophobicContact CG2-CB 4.43Å; I554-A721 WeakPolarHBondContact CG2-O 3.15Å; I554-A723 HydrophobicContact CD1-CB 4.18Å; I554-A723 HydrophobicContact CG2-CB 3.67Å; I554-H760 HydrophobicContact CD1-CB 4.39Å; I554-H760 HydrophobicContact CG1-CB 4.42Å
555	I	97.6	Very high	95.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.221	C	C	.	.			trans	-127.3	156.1	178.3	59.5	172.4	0	0	0	109.2	M537 N541 N549 P759	M537-I555 HydrophobicContact CB-CD1 3.95Å; M537-I555 HydrophobicContact CB-CG1 4.13Å; M537-I555 HydrophobicContact CE-CD1 4.11Å; M537-I555 HydrophobicContact CE-CG1 3.4Å; M537-I555 HydrophobicContact CG-CG1 4.47Å; N541-I555 WeakPolarHBondContact ND2-CD1 3.13Å; N549-I555 HydrophobicContact CB-CG2 3.89Å; N549-I555 VanDerWaalsContact CG-CG2 3.4Å; I555-P759 WeakPolarHBondContact O-CD 3.34Å
556	P	97.8	Very high	95.5	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.019	25%	0.249	C	C	.	.			trans	-72	154.7	-171.8	31.6	-36.6	0	0	0	112.4	R561 Y575 N577 A578 S579	P556-R561 HydrophobicContact CB-CB 3.8Å; P556-R561 HydrophobicContact CG-CB 3.81Å; P556-Y575 WeakPolarHBondContact CD-OH 3.16Å; P556-Y575 HydrophobicContact CG-CE2 3.8Å; P556-N577 WeakPolarHBondContact CD-OD1 3.48Å; P556-A578 WeakPolarHBondContact CB-O 3.41Å; P556-S579 VanDerWaalsContact CB-OG 3.3Å; P556-S579 WeakPolarHBondContact CB-OG 3.34Å
557	Y	96.1	Very high	95.1	Very high	6 Å²	6	48.3 Å²	48.3	2%	0.024	24%	0.238	C	C	.	.			trans	-77.2	147.3	165	-61.6	-56	0	0	0	110.6	I532 Q533 K536 M537 F559 N560 R561 L756 Q757 P759	I532-Y557 HydrophobicContact CG2-CE1 4.38Å; Q533-Y557 HydrophobicContact CB-CD1 4.35Å; Q533-Y557 HydrophobicContact CB-CE1 3.79Å; Q533-Y557 PolarHBondContact N-OH 3.01Å; K536-Y557 HydrophobicContact CB-CD1 4.1Å; M537-Y557 HydrophobicContact CG-CD1 3.55Å; M537-Y557 HydrophobicContact CG-CE1 3.73Å; M537-Y557 HydrophobicContact SD-CD1 4.2Å; M537-Y557 HydrophobicContact SD-CE1 3.74Å; Y557-F559 VanDerWaalsContact CB-CE1 3.45Å; Y557-F559 AromaticContact CD2-CE1 3.78Å; Y557-F559 HydrophobicContact CD2-CE1 3.78Å; Y557-F559 HydrophobicContact CD2-CZ 4.24Å; Y557-F559 HydrophobicContact CG-CD1 4.47Å; Y557-F559 AromaticContact CG-CE1 3.87Å; Y557-F559 HydrophobicContact CG-CE1 3.87Å; Y557-F559 PolarHBondContact O-N 2.64Å; Y557-F559 VanDerWaalsContact O-N 3.16Å; Y557-N560 PolarHBondContact O-N 2.91Å; Y557-N560 PolarHBondContact O-OD1 3.21Å; Y557-R561 PolarHBondContact O-N 3.01Å; Y557-L756 WeakPolarHBondContact CE2-O 3.29Å; Y557-Q757 WeakPolarHBondContact CD2-O 3.42Å; Y557-P759 HydrophobicContact CE1-CG 4.07Å; Y557-P759 HydrophobicContact CE2-CG 4.26Å
558	E	93.3	Very high	94.4	Very high	73 Å²	73	52.9 Å²	52.9	34%	0.341	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.1	-174.3	-161.6	64.1	-137.2	0	0	113.8	K536 T539 N560 R561	K536-E558 WeakPolarHBondContact O-CB 3.46Å; K536-E558 PolarHBondContact O-N 3.38Å; T539-E558 VanDerWaalsContact CB-OE2 3.31Å; T539-E558 WeakPolarHBondContact CB-OE2 3.49Å; T539-E558 PolarHBondContact N-OE2 3.22Å; T539-E558 PolarHBondContact OG1-OE1 2.85Å; T539-E558 PolarHBondContact OG1-OE2 3.39Å; E558-N560 PolarHBondContact O-N 3.07Å; E558-R561 IonicContact OE1-CZ 3.13Å; E558-R561 IonicContact OE1-NE 2.84Å; E558-R561 PolarHBondContact OE1-NE 3.19Å; E558-R561 IonicContact OE1-NH2 2.78Å; E558-R561 PolarHBondContact OE1-NH2 2.72Å
559	F	90.9	Very high	93.4	Very high	99 Å²	99	56 Å²	56	43%	0.434	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-16.7	-174.1	72.5	-93.9	0	0	0	114.4	F402 K536 Y557	F402-F559 HydrophobicContact CD1-CE2 4.17Å; F402-F559 AromaticContact CD1-CZ 3.99Å; F402-F559 HydrophobicContact CD1-CZ 3.99Å; F402-F559 AromaticContact CE1-CE1 3.94Å; F402-F559 HydrophobicContact CE1-CE1 3.94Å; F402-F559 HydrophobicContact CE1-CE2 4.09Å; F402-F559 AromaticContact CE1-CZ 3.44Å; F402-F559 HydrophobicContact CE1-CZ 3.44Å; F402-F559 VanDerWaalsContact CE1-CZ 3.44Å; F402-F559 AromaticContact CZ-CE1 3.96Å; F402-F559 HydrophobicContact CZ-CE1 3.96Å; F402-F559 AromaticContact CZ-CZ 3.97Å; F402-F559 HydrophobicContact CZ-CZ 3.97Å; K536-F559 HydrophobicContact CD-CD1 4.28Å; Y557-F559 VanDerWaalsContact CB-CE1 3.45Å; Y557-F559 AromaticContact CD2-CE1 3.78Å; Y557-F559 HydrophobicContact CD2-CE1 3.78Å; Y557-F559 HydrophobicContact CD2-CZ 4.24Å; Y557-F559 HydrophobicContact CG-CD1 4.47Å; Y557-F559 AromaticContact CG-CE1 3.87Å; Y557-F559 HydrophobicContact CG-CE1 3.87Å; Y557-F559 PolarHBondContact O-N 2.64Å; Y557-F559 VanDerWaalsContact O-N 3.16Å
560	N	95	Very high	92.6	Very high	14 Å²	14	60.1 Å²	60.1	8%	0.075	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.4	18.2	-178.5	70.8	-34.3	0	0	0	112.8	Y557 E558 S579 F580 Q757	Y557-N560 PolarHBondContact O-N 2.91Å; Y557-N560 PolarHBondContact O-OD1 3.21Å; E558-N560 PolarHBondContact O-N 3.07Å; N560-S579 CarbonylContact O-C 3.52Å; N560-S579 WeakPolarHBondContact O-CA 3.37Å; N560-F580 HydrophobicContact CB-CB 4.47Å; N560-F580 PolarHBondContact ND2-O 2.75Å; N560-F580 PolarHBondContact O-N 2.76Å; N560-Q757 PolarHBondContact ND2-O 2.77Å; N560-Q757 PolarHBondContact OD1-O 2.74Å
561	R	97.2	Very high	91.6	Very high	30 Å²	30	66 Å²	66	11%	0.113	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	141.2	171	70.6	175.8	-178.7	97.3	-13.5	109.7	P556 Y557 E558 I563 D574	P556-R561 HydrophobicContact CB-CB 3.8Å; P556-R561 HydrophobicContact CG-CB 3.81Å; Y557-R561 PolarHBondContact O-N 3.01Å; E558-R561 IonicContact OE1-CZ 3.13Å; E558-R561 IonicContact OE1-NE 2.84Å; E558-R561 PolarHBondContact OE1-NE 3.19Å; E558-R561 IonicContact OE1-NH2 2.78Å; E558-R561 PolarHBondContact OE1-NH2 2.72Å; R561-I563 HydrophobicContact CG-CG1 4.25Å; R561-I563 PolarHBondContact O-N 3.21Å; R561-D574 IonicContact CZ-OD2 3.2Å; R561-D574 IonicContact NH1-OD2 3.73Å; R561-D574 PolarHBondContact NH1-OD2 2.89Å; R561-D574 IonicContact NH2-OD2 2.7Å; R561-D574 PolarHBondContact NH2-OD2 3.48Å
562	V	98.1	Very high	90.6	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	121.6	171.5	-172.7	0	0	0	0	108.2	V576 A578 F580 I591 M607 W611	V562-V576 HydrophobicContact CB-CG2 4.12Å; V562-V576 HydrophobicContact CG1-CG2 4.43Å; V562-V576 WeakPolarHBondContact O-CG2 3.11Å; V562-A578 HydrophobicContact CB-CB 4.08Å; V562-A578 HydrophobicContact CG2-CB 3.83Å; V562-A578 PolarHBondContact N-O 3.35Å; V562-F580 HydrophobicContact CB-CE2 4.18Å; V562-F580 HydrophobicContact CB-CZ 4.34Å; V562-F580 HydrophobicContact CG1-CE2 4.14Å; V562-F580 HydrophobicContact CG1-CZ 3.9Å; V562-F580 HydrophobicContact CG2-CD1 4.25Å; V562-F580 HydrophobicContact CG2-CD2 3.96Å; V562-F580 HydrophobicContact CG2-CE1 4.15Å; V562-F580 HydrophobicContact CG2-CE2 3.85Å; V562-F580 HydrophobicContact CG2-CG 4.15Å; V562-F580 HydrophobicContact CG2-CZ 3.94Å; V562-I591 HydrophobicContact CG2-CG1 4.15Å; V562-I591 HydrophobicContact CG2-CG2 3.88Å; V562-M607 HydrophobicContact CB-SD 4.36Å; V562-M607 HydrophobicContact CG1-CG 3.68Å; V562-M607 HydrophobicContact CG1-SD 4.1Å; V562-W611 VanDerWaalsContact CG1-CD1 3.42Å; V562-W611 HydrophobicContact CG1-CG 4.2Å; V562-W611 VanDerWaalsContact CG1-NE1 3.33Å
563	I	96.7	Very high	90.4	Very high	84 Å²	84	62.5 Å²	62.5	43%	0.431	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	133	178	-48.5	-175.8	0	0	0	107.6	R561 D574 W611	R561-I563 HydrophobicContact CG-CG1 4.25Å; R561-I563 PolarHBondContact O-N 3.21Å; I563-D574 HydrophobicContact CG2-CB 4.1Å; I563-W611 WeakPolarHBondContact O-CZ2 3.19Å; I563-W611 PolarHBondContact O-NE1 2.91Å
564	I	95.8	Very high	90.5	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.021	30%	0.295	C	S	.	.			trans	-111.2	160.6	170.7	63.2	172	0	0	0	110.8	D574 V576 D603 R606 M607	I564-D574 PolarHBondContact N-O 3.42Å; I564-D574 VanDerWaalsContact O-CA 3.31Å; I564-D574 WeakPolarHBondContact O-CA 3.49Å; I564-D574 WeakPolarHBondContact O-CB 3.01Å; I564-V576 HydrophobicContact CD1-CG1 3.84Å; I564-V576 HydrophobicContact CG2-CG1 4.49Å; I564-V576 HydrophobicContact CG2-CG2 4.17Å; I564-D603 HydrophobicContact CD1-CB 3.9Å; I564-R606 HydrophobicContact CD1-CB 4.35Å; I564-M607 HydrophobicContact CG2-CB 3.71Å; I564-M607 HydrophobicContact CG2-CG 4.19Å
565	P	93.3	Very high	90.5	Very high	58 Å²	58	57.1 Å²	57.1	38%	0.377	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-59.2	145.7	179.1	-24.9	35.3	0	0	0	111.9	R606 E610	P565-R606 PolarHBondContact O-NH2 2.98Å; P565-E610 HydrophobicContact CG-CG 4.2Å; P565-E610 VanDerWaalsContact CG-OE2 3.25Å; P565-E610 WeakPolarHBondContact CG-OE2 3.31Å
566	V	91.1	Very high	90.6	Very high	96 Å²	96	57.7 Å²	57.7	58%	0.582	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-70	133.7	175	-177.4	0	0	0	0	109.7	E570 T573 D574	V566-E570 WeakPolarHBondContact CG1-O 3.31Å; V566-T573 WeakPolarHBondContact CG1-OG1 3.41Å; V566-D574 HydrophobicContact CG2-CB 4.15Å
567	K	85.6	Confident	90.6	Very high	40 Å²	40	57.8 Å²	57.8	17%	0.174	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-67.7	139.4	172.4	-72.7	-177.4	170.8	-171.3	0	109.9	G569 E570 T573 E602	K567-G569 PolarHBondContact O-N 3.01Å; K567-E570 HydrophobicContact CB-CB 4.06Å; K567-E570 HydrophobicContact CB-CG 4.42Å; K567-E570 VanDerWaalsContact CD-OE2 3.3Å; K567-E570 WeakPolarHBondContact CD-OE2 3.28Å; K567-E570 PolarHBondContact O-N 2.67Å; K567-E570 VanDerWaalsContact O-N 3.16Å; K567-T573 HydrophobicContact CB-CG2 4.18Å; K567-T573 HydrophobicContact CD-CG2 4.14Å; K567-T573 HydrophobicContact CG-CG2 4.34Å; K567-T573 PolarHBondContact N-OG1 2.78Å; K567-E602 WeakPolarHBondContact CE-OE1 3.04Å; K567-E602 IonicContact NZ-OE1 2.71Å; K567-E602 PolarHBondContact NZ-OE1 3.2Å; K567-E602 IonicContact NZ-OE2 3.03Å; K567-E602 PolarHBondContact NZ-OE2 3.28Å
568	R	81.1	Confident	90.7	Very high	235 Å²	235	57.5 Å²	57.5	89%	0.887	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	110.2	-176.8	-71	-174.5	178.7	-176.9	0.8	110.6
569	G	76.8	Confident	91	Very high	86 Å²	86	54 Å²	54	89%	0.887	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.6	2.4	179	0	0	0	0	0	115.2	K567	K567-G569 PolarHBondContact O-N 3.01Å
570	E	81.3	Confident	91.3	Very high	100 Å²	100	50 Å²	50	47%	0.467	26%	0.263	S	S	.	.			trans	-122.5	111.4	178.3	-63.2	170.7	-136.1	0	0	110.7	V566 K567 T573	V566-E570 WeakPolarHBondContact CG1-O 3.31Å; K567-E570 HydrophobicContact CB-CB 4.06Å; K567-E570 HydrophobicContact CB-CG 4.42Å; K567-E570 VanDerWaalsContact CD-OE2 3.3Å; K567-E570 WeakPolarHBondContact CD-OE2 3.28Å; K567-E570 PolarHBondContact O-N 2.67Å; K567-E570 VanDerWaalsContact O-N 3.16Å; E570-T573 HydrophobicContact CB-CG2 3.47Å; E570-T573 VanDerWaalsContact CB-CG2 3.47Å; E570-T573 HydrophobicContact CG-CG2 4.49Å; E570-T573 PolarHBondContact O-OG1 3.39Å; E570-T573 WeakPolarHBondContact OE2-CG2 3.42Å
571	E	76.6	Confident	91.5	Very high	172 Å²	172	49.4 Å²	49.4	80%	0.804	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	161.8	172.1	-61.1	-174.7	171.2	0	0	111.4	T573	E571-T573 PolarHBondContact O-N 2.94Å; E571-T573 VanDerWaalsContact O-N 3.17Å
572	N	76.6	Confident	91.3	Very high	60 Å²	60	50 Å²	50	32%	0.321	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	24.9	179.2	-55.5	-26.8	0	0	0	115.4	D544 N545 K548	D544-N572 HydrophobicContact CB-CB 4.25Å; D544-N572 PolarHBondContact OD2-ND2 3.36Å; N545-N572 PolarHBondContact OD1-O 3.14Å; K548-N572 PolarHBondContact NZ-O 3.22Å
573	T	89.1	Confident	91	Very high	11 Å²	11	50.3 Å²	50.3	7%	0.067	27%	0.268	C	S	.	.			trans	-99.5	10.4	179	55.1	0	0	0	0	115.1	V566 K567 E570 E571	V566-T573 WeakPolarHBondContact CG1-OG1 3.41Å; K567-T573 HydrophobicContact CB-CG2 4.18Å; K567-T573 HydrophobicContact CD-CG2 4.14Å; K567-T573 HydrophobicContact CG-CG2 4.34Å; K567-T573 PolarHBondContact N-OG1 2.78Å; E570-T573 HydrophobicContact CB-CG2 3.47Å; E570-T573 VanDerWaalsContact CB-CG2 3.47Å; E570-T573 HydrophobicContact CG-CG2 4.49Å; E570-T573 PolarHBondContact O-OG1 3.39Å; E570-T573 WeakPolarHBondContact OE2-CG2 3.42Å; E571-T573 PolarHBondContact O-N 2.94Å; E571-T573 VanDerWaalsContact O-N 3.17Å
574	D	94.6	Very high	90.7	Very high	28 Å²	28	47 Å²	47	15%	0.15	25%	0.251	C	S	.	.	S	Bend	trans	-86.9	-9	175.1	74.7	-48.4	0	0	0	113.9	R561 I563 I564 V566	R561-D574 IonicContact CZ-OD2 3.2Å; R561-D574 IonicContact NH1-OD2 3.73Å; R561-D574 PolarHBondContact NH1-OD2 2.89Å; R561-D574 IonicContact NH2-OD2 2.7Å; R561-D574 PolarHBondContact NH2-OD2 3.48Å; I563-D574 HydrophobicContact CG2-CB 4.1Å; I564-D574 PolarHBondContact N-O 3.42Å; I564-D574 VanDerWaalsContact O-CA 3.31Å; I564-D574 WeakPolarHBondContact O-CA 3.49Å; I564-D574 WeakPolarHBondContact O-CB 3.01Å; V566-D574 HydrophobicContact CG2-CB 4.15Å
575	Y	97.3	Very high	90.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	129.1	-172.3	176.1	-94.2	0	0	0	114.1	T539 G540 N545 K548 N549 P556	T539-Y575 HydrophobicContact CG2-CD2 3.76Å; T539-Y575 HydrophobicContact CG2-CG 4.23Å; G540-Y575 VanDerWaalsContact CA-CE2 3.45Å; G540-Y575 VanDerWaalsContact CA-CZ 3.42Å; G540-Y575 WeakPolarHBondContact CA-OH 3.39Å; N545-Y575 HydrophobicContact CB-CD1 3.6Å; N545-Y575 HydrophobicContact CB-CE1 3.88Å; N545-Y575 HydrophobicContact CB-CG 4.14Å; N545-Y575 VanDerWaalsContact CG-CD1 3.4Å; N545-Y575 WeakPolarHBondContact ND2-CB 3.43Å; N545-Y575 WeakPolarHBondContact OD1-CD1 3.47Å; K548-Y575 HydrophobicContact CB-CD1 4.45Å; K548-Y575 HydrophobicContact CB-CE1 4.28Å; K548-Y575 HydrophobicContact CD-CD1 3.91Å; K548-Y575 PolarHBondContact NZ-O 3.02Å; N549-Y575 WeakPolarHBondContact OD1-CE1 3.48Å; N549-Y575 PolarHBondContact OD1-OH 3.43Å; P556-Y575 WeakPolarHBondContact CD-OH 3.16Å; P556-Y575 HydrophobicContact CG-CE2 3.8Å
576	V	98.1	Very high	90	Very high	13 Å²	13	53 Å²	53	8%	0.079	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	150.1	161.8	-77.1	0	0	0	0	109.8	V562 I564 A578 D603 M607	V562-V576 HydrophobicContact CB-CG2 4.12Å; V562-V576 HydrophobicContact CG1-CG2 4.43Å; V562-V576 WeakPolarHBondContact O-CG2 3.11Å; I564-V576 HydrophobicContact CD1-CG1 3.84Å; I564-V576 HydrophobicContact CG2-CG1 4.49Å; I564-V576 HydrophobicContact CG2-CG2 4.17Å; V576-A578 HydrophobicContact CG2-CB 4.21Å; V576-A578 PolarHBondContact O-N 2.83Å; V576-D603 HydrophobicContact CG1-CB 3.75Å; V576-M607 HydrophobicContact CB-SD 4.48Å; V576-M607 HydrophobicContact CG2-CG 4.25Å; V576-M607 HydrophobicContact CG2-SD 3.85Å
577	N	98.4	Very high	89.8	Confident	5 Å²	5	52.9 Å²	52.9	3%	0.027	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	74.5	171.6	-175	-0.9	0	0	0	110.9	I554 P556 S593 Q594 R758	I554-N577 PolarHBondContact O-ND2 3.11Å; I554-N577 PolarHBondContact O-OD1 3.33Å; P556-N577 WeakPolarHBondContact CD-OD1 3.48Å; N577-S593 PolarHBondContact O-OG 2.76Å; N577-Q594 HydrophobicContact CB-CG 4.06Å; N577-Q594 PolarHBondContact ND2-OE1 3.07Å; N577-Q594 PolarHBondContact O-N 3.21Å; N577-R758 PolarHBondContact OD1-NH1 2.94Å; N577-R758 PolarHBondContact OD1-NH2 2.71Å
578	A	98.6	Very high	90.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	147.4	176.4	0	0	0	0	0	111.6	P556 V562 V576 I591 A592 M607	P556-A578 WeakPolarHBondContact CB-O 3.41Å; V562-A578 HydrophobicContact CB-CB 4.08Å; V562-A578 HydrophobicContact CG2-CB 3.83Å; V562-A578 PolarHBondContact N-O 3.35Å; V576-A578 HydrophobicContact CG2-CB 4.21Å; V576-A578 PolarHBondContact O-N 2.83Å; A578-I591 HydrophobicContact CB-CG2 3.84Å; A578-A592 CarbonylContact C-O 3.43Å; A578-A592 WeakPolarHBondContact CA-O 3.4Å; A578-M607 HydrophobicContact CB-SD 3.56Å; A578-M607 VanDerWaalsContact CB-SD 3.56Å
579	S	98.7	Very high	91	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.1	177.9	-57.8	0	0	0	0	110.3	P556 N560 I591 A592 R758	P556-S579 VanDerWaalsContact CB-OG 3.3Å; P556-S579 WeakPolarHBondContact CB-OG 3.34Å; N560-S579 CarbonylContact O-C 3.52Å; N560-S579 WeakPolarHBondContact O-CA 3.37Å; S579-I591 CarbonylContact O-C 3.6Å; S579-I591 WeakPolarHBondContact O-CA 3.37Å; S579-A592 PolarHBondContact N-O 2.71Å; S579-A592 PolarHBondContact O-N 2.68Å; S579-R758 PolarHBondContact OG-NH1 2.76Å
580	F	98.4	Very high	92	Very high	15 Å²	15	40.5 Å²	40.5	7%	0.066	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	140.3	160.9	-71	-66.2	0	0	0	110.6	N560 V562 D588 I591 W611	N560-F580 HydrophobicContact CB-CB 4.47Å; N560-F580 PolarHBondContact ND2-O 2.75Å; N560-F580 PolarHBondContact O-N 2.76Å; V562-F580 HydrophobicContact CB-CE2 4.18Å; V562-F580 HydrophobicContact CB-CZ 4.34Å; V562-F580 HydrophobicContact CG1-CE2 4.14Å; V562-F580 HydrophobicContact CG1-CZ 3.9Å; V562-F580 HydrophobicContact CG2-CD1 4.25Å; V562-F580 HydrophobicContact CG2-CD2 3.96Å; V562-F580 HydrophobicContact CG2-CE1 4.15Å; V562-F580 HydrophobicContact CG2-CE2 3.85Å; V562-F580 HydrophobicContact CG2-CG 4.15Å; V562-F580 HydrophobicContact CG2-CZ 3.94Å; F580-D588 HydrophobicContact CB-CB 4.21Å; F580-D588 VanDerWaalsContact CB-OD1 3.32Å; F580-D588 WeakPolarHBondContact CB-OD1 3.48Å; F580-D588 HydrophobicContact CD1-CB 3.71Å; F580-D588 HydrophobicContact CE1-CB 4.34Å; F580-D588 HydrophobicContact CG-CB 4.09Å; F580-I591 HydrophobicContact CD1-CG1 3.78Å; F580-I591 HydrophobicContact CE1-CD1 3.89Å; F580-I591 HydrophobicContact CE1-CG1 3.63Å; F580-W611 HydrophobicContact CE1-CD2 4.27Å; F580-W611 HydrophobicContact CE1-CE3 4.19Å; F580-W611 HydrophobicContact CE2-CH2 4.19Å; F580-W611 HydrophobicContact CE2-CZ2 4.16Å; F580-W611 HydrophobicContact CE2-CZ3 4.38Å; F580-W611 AromaticContact CZ-CD2 3.53Å; F580-W611 HydrophobicContact CZ-CD2 3.53Å; F580-W611 AromaticContact CZ-CE2 3.72Å; F580-W611 AromaticContact CZ-CE3 3.58Å; F580-W611 HydrophobicContact CZ-CE3 3.58Å; F580-W611 HydrophobicContact CZ-CG 4.07Å; F580-W611 AromaticContact CZ-CH2 3.98Å; F580-W611 HydrophobicContact CZ-CH2 3.98Å; F580-W611 AromaticContact CZ-CZ2 3.95Å; F580-W611 HydrophobicContact CZ-CZ2 3.95Å; F580-W611 AromaticContact CZ-CZ3 3.8Å; F580-W611 HydrophobicContact CZ-CZ3 3.8Å
581	I	97.6	Very high	92.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	124	-178.6	-58.2	-63.2	0	0	0	108.8	D588 A589 Y590 A592 L754 Q757 R758 M761	I581-D588 CarbonylContact O-C 3.36Å; I581-A589 PolarHBondContact O-N 3.22Å; I581-Y590 HydrophobicContact CB-CD2 4.12Å; I581-Y590 HydrophobicContact CG2-CD2 3.85Å; I581-Y590 PolarHBondContact N-O 3.16Å; I581-Y590 PolarHBondContact O-N 3.43Å; I581-Y590 VanDerWaalsContact O-N 3.07Å; I581-A592 HydrophobicContact CD1-CB 4.17Å; I581-A592 HydrophobicContact CG1-CB 3.57Å; I581-L754 HydrophobicContact CG2-CD2 3.26Å; I581-Q757 HydrophobicContact CD1-CB 3.75Å; I581-R758 HydrophobicContact CD1-CB 4.08Å; I581-M761 HydrophobicContact CD1-CE 3.96Å; I581-M761 HydrophobicContact CG1-CE 4.15Å
582	D	94	Very high	93.9	Very high	44 Å²	44	27.6 Å²	27.6	24%	0.235	14%	0.135	C	C	.	.			trans	-64.1	138.1	172.6	-75.9	-12.5	0	0	0	111.6	V363 K587 D588	V363-D582 HydrophobicContact CG2-CB 4.22Å; D582-K587 WeakPolarHBondContact OD1-CA 3.35Å; D582-K587 VanDerWaalsContact OD1-CB 3.27Å; D582-K587 WeakPolarHBondContact OD1-CB 3.4Å; D582-K587 WeakPolarHBondContact OD1-CG 3.5Å; D582-D588 PolarHBondContact OD1-N 3.05Å; D582-D588 VanDerWaalsContact OD1-N 3.15Å
583	G	92.6	Very high	94.9	Very high	6 Å²	6	25 Å²	25	6%	0.062	12%	0.121	C	C	.	.			trans	-102.7	-167	171.5	0	0	0	0	0	112.4	V363 Q586	V363-G583 WeakPolarHBondContact CB-O 3.49Å; V363-G583 WeakPolarHBondContact CG1-O 3.03Å; G583-Q586 PolarHBondContact N-O 2.8Å
584	Y	89.3	Confident	95.4	Very high	15 Å²	15	24.8 Å²	24.8	6%	0.059	12%	0.12	C	C	.	.	S	Bend	trans	-70.1	-42.5	-175.9	174.7	-120.9	0	0	0	113.3	L362 V363 E737 R738 A741 E742	L362-Y584 HydrophobicContact CD2-CE1 3.81Å; L362-Y584 HydrophobicContact CD2-CE2 3.87Å; L362-Y584 VanDerWaalsContact CD2-CZ 3.41Å; L362-Y584 WeakPolarHBondContact CD2-OH 3.48Å; V363-Y584 WeakPolarHBondContact CB-O 3.43Å; V363-Y584 WeakPolarHBondContact CG1-O 3.35Å; V363-Y584 PolarHBondContact N-O 2.89Å; V363-Y584 VanDerWaalsContact N-O 3.09Å; Y584-E737 HydrophobicContact CD1-CB 4.19Å; Y584-E737 HydrophobicContact CD1-CG 4.02Å; Y584-R738 HydrophobicContact CD2-CB 3.82Å; Y584-R738 HydrophobicContact CD2-CG 4.03Å; Y584-R738 HydrophobicContact CE2-CB 3.73Å; Y584-R738 HydrophobicContact CE2-CG 3.48Å; Y584-R738 VanDerWaalsContact CE2-CG 3.48Å; Y584-R738 HydrophobicContact CG-CB 4.27Å; Y584-A741 HydrophobicContact CE1-CB 3.6Å; Y584-E742 WeakPolarHBondContact CE2-OE1 3.17Å; Y584-E742 VanDerWaalsContact OH-CD 3.25Å; Y584-E742 VanDerWaalsContact OH-CG 3.27Å; Y584-E742 WeakPolarHBondContact OH-CG 3.5Å; Y584-E742 PolarHBondContact OH-OE1 3.39Å
585	R	87.3	Confident	95.6	Very high	104 Å²	104	23.5 Å²	23.5	39%	0.392	11%	0.112	S	C	.	.	S	Bend	trans	-105.3	-23.3	-179.1	-59.8	-171.2	-170.5	-83.1	-3.9	115.4	E737	R585-E737 VanDerWaalsContact CD-OE1 3.24Å; R585-E737 WeakPolarHBondContact CD-OE1 3.23Å; R585-E737 WeakPolarHBondContact CG-OE1 3.48Å; R585-E737 IonicContact CZ-OE1 3.41Å; R585-E737 IonicContact NE-OE1 3.45Å; R585-E737 PolarHBondContact NE-OE1 2.79Å; R585-E737 IonicContact NH2-OE1 3.69Å
586	Q	86.3	Confident	95.6	Very high	82 Å²	82	23.6 Å²	23.6	38%	0.383	11%	0.113	S	C	.	.	S	Bend	trans	-133.2	140.1	-165.8	-162.1	-177.7	-64.7	0	0	109.9	G583 A589 N712	G583-Q586 PolarHBondContact N-O 2.8Å; Q586-A589 HydrophobicContact CB-CB 4.39Å; Q586-N712 PolarHBondContact NE2-O 2.63Å
587	K	88.5	Confident	95.6	Very high	94 Å²	94	24.2 Å²	24.2	41%	0.409	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	155.3	167.7	-66.1	-161.5	169.9	-160.6	0	111.1	V363 D582 A589	V363-K587 HydrophobicContact CG2-CG 3.63Å; D582-K587 WeakPolarHBondContact OD1-CA 3.35Å; D582-K587 VanDerWaalsContact OD1-CB 3.27Å; D582-K587 WeakPolarHBondContact OD1-CB 3.4Å; D582-K587 WeakPolarHBondContact OD1-CG 3.5Å; K587-A589 PolarHBondContact O-N 3.38Å
588	D	94.2	Very high	95.6	Very high	75 Å²	75	29.1 Å²	29.1	40%	0.401	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	25.7	177.9	-48.2	-50	0	0	0	113.3	F580 I581 D582 Y590 P714	F580-D588 HydrophobicContact CB-CB 4.21Å; F580-D588 VanDerWaalsContact CB-OD1 3.32Å; F580-D588 WeakPolarHBondContact CB-OD1 3.48Å; F580-D588 HydrophobicContact CD1-CB 3.71Å; F580-D588 HydrophobicContact CE1-CB 4.34Å; F580-D588 HydrophobicContact CG-CB 4.09Å; I581-D588 CarbonylContact O-C 3.36Å; D582-D588 PolarHBondContact OD1-N 3.05Å; D582-D588 VanDerWaalsContact OD1-N 3.15Å; D588-Y590 VanDerWaalsContact C-N 3.26Å; D588-Y590 PolarHBondContact O-N 3.25Å; D588-P714 WeakPolarHBondContact O-CB 3.35Å; D588-P714 WeakPolarHBondContact O-CG 3.25Å
589	A	95.9	Very high	95.5	Very high	16 Å²	16	34.6 Å²	34.6	13%	0.132	17%	0.172	C	C	.	.			trans	-65.5	-27.1	-171.8	0	0	0	0	0	113.4	I581 Q586 K587 P714 I715	I581-A589 PolarHBondContact O-N 3.22Å; Q586-A589 HydrophobicContact CB-CB 4.39Å; K587-A589 PolarHBondContact O-N 3.38Å; A589-P714 WeakPolarHBondContact O-CA 3.43Å; A589-I715 PolarHBondContact O-N 3.31Å
590	Y	98.4	Very high	95.4	Very high	11 Å²	11	35.1 Å²	35.1	4%	0.043	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	149.3	172.8	-32.8	-97	0	0	0	111	I581 D588 I715 V717 C730 S733 T734	I581-Y590 HydrophobicContact CB-CD2 4.12Å; I581-Y590 HydrophobicContact CG2-CD2 3.85Å; I581-Y590 PolarHBondContact N-O 3.16Å; I581-Y590 PolarHBondContact O-N 3.43Å; I581-Y590 VanDerWaalsContact O-N 3.07Å; D588-Y590 VanDerWaalsContact C-N 3.26Å; D588-Y590 PolarHBondContact O-N 3.25Å; Y590-I715 CarbonylContact C-O 3.54Å; Y590-I715 VanDerWaalsContact CA-O 3.27Å; Y590-I715 WeakPolarHBondContact CA-O 3.38Å; Y590-I715 HydrophobicContact CD1-CB 4.14Å; Y590-I715 HydrophobicContact CD1-CD1 3.82Å; Y590-I715 HydrophobicContact CE1-CD1 3.89Å; Y590-V717 HydrophobicContact CD1-CG2 4.22Å; Y590-C730 HydrophobicContact CD2-CB 4.32Å; Y590-C730 HydrophobicContact CE2-CB 4.35Å; Y590-S733 WeakPolarHBondContact OH-CB 3.46Å; Y590-T734 PolarHBondContact OH-N 3.44Å; Y590-T734 PolarHBondContact OH-OG1 2.97Å
591	I	98.8	Very high	95.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	103.4	163.3	-69.7	168.2	0	0	0	106.9	V562 A578 S579 F580 S593 M607 W611 P714 I715 T716 V717	V562-I591 HydrophobicContact CG2-CG1 4.15Å; V562-I591 HydrophobicContact CG2-CG2 3.88Å; A578-I591 HydrophobicContact CB-CG2 3.84Å; S579-I591 CarbonylContact O-C 3.6Å; S579-I591 WeakPolarHBondContact O-CA 3.37Å; F580-I591 HydrophobicContact CD1-CG1 3.78Å; F580-I591 HydrophobicContact CE1-CD1 3.89Å; F580-I591 HydrophobicContact CE1-CG1 3.63Å; I591-S593 PolarHBondContact O-N 2.87Å; I591-M607 HydrophobicContact CG2-CE 3.93Å; I591-M607 HydrophobicContact CG2-SD 3.78Å; I591-W611 HydrophobicContact CD1-CB 3.89Å; I591-W611 HydrophobicContact CD1-CG 4.4Å; I591-P714 HydrophobicContact CD1-CB 3.87Å; I591-P714 HydrophobicContact CG1-CB 3.91Å; I591-I715 PolarHBondContact N-O 2.72Å; I591-T716 HydrophobicContact CG2-CG2 4.45Å; I591-V717 PolarHBondContact O-N 3.48Å
592	A	98.8	Very high	95.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	105.9	174	0	0	0	0	0	109.7	A578 S579 I581 V717 T726 M761	A578-A592 CarbonylContact C-O 3.43Å; A578-A592 WeakPolarHBondContact CA-O 3.4Å; S579-A592 PolarHBondContact N-O 2.71Å; S579-A592 PolarHBondContact O-N 2.68Å; I581-A592 HydrophobicContact CD1-CB 4.17Å; I581-A592 HydrophobicContact CG1-CB 3.57Å; A592-V717 WeakPolarHBondContact CA-O 3.46Å; A592-T726 HydrophobicContact CB-CG2 3.65Å; A592-M761 HydrophobicContact CB-CE 4.01Å; A592-M761 HydrophobicContact CB-SD 4.43Å
593	S	98.8	Very high	95.6	Very high	5 Å²	5	36.2 Å²	36.2	4%	0.035	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	155.1	-175.5	-176.1	0	0	0	0	111.8	N577 I591 V717 H718 G722	N577-S593 PolarHBondContact O-OG 2.76Å; I591-S593 PolarHBondContact O-N 2.87Å; S593-V717 PolarHBondContact N-O 2.81Å; S593-H718 VanDerWaalsContact O-CA 3.3Å; S593-H718 WeakPolarHBondContact O-CA 3.46Å; S593-H718 WeakPolarHBondContact O-CB 3.45Å; S593-G722 WeakPolarHBondContact O-CA 3.49Å
594	Q	98.6	Very high	95.8	Very high	8 Å²	8	36.3 Å²	36.3	4%	0.037	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-65.8	157.2	160.1	75.4	179.6	26.7	0	0	110.6	K548 N577 S720	K548-Q594 PolarHBondContact O-NE2 3.36Å; N577-Q594 HydrophobicContact CB-CG 4.06Å; N577-Q594 PolarHBondContact ND2-OE1 3.07Å; N577-Q594 PolarHBondContact O-N 3.21Å; Q594-S720 CarbonylContact C-O 3.54Å; Q594-S720 WeakPolarHBondContact CA-O 3.29Å; Q594-S720 WeakPolarHBondContact CB-O 3.42Å
595	G	98.6	Very high	96.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-68.7	129.3	165	0	0	0	0	0	109.4	R550 H718 C719 S720	R550-G595 PolarHBondContact NE-O 3.21Å; R550-G595 VanDerWaalsContact NE-O 3.11Å; G595-H718 WeakPolarHBondContact CA-ND1 3.35Å; G595-C719 WeakPolarHBondContact CA-O 3.5Å; G595-C719 PolarHBondContact N-O 2.96Å; G595-S720 PolarHBondContact N-O 2.89Å
596	P	98.4	Very high	96.7	Very high	2 Å²	2	32 Å²	32	1%	0.013	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-53.8	146.5	-171.8	17.2	-31.3	0	0	0	113.2	R550 I601 F604 A631 Y633	R550-P596 PolarHBondContact NH2-O 3.31Å; P596-I601 HydrophobicContact CB-CG1 4.11Å; P596-F604 HydrophobicContact CB-CB 4.36Å; P596-F604 HydrophobicContact CB-CG 4.43Å; P596-F604 HydrophobicContact CG-CD1 4.27Å; P596-F604 HydrophobicContact CG-CG 4.28Å; P596-A631 WeakPolarHBondContact O-CB 3.37Å; P596-A631 PolarHBondContact O-N 3.18Å; P596-Y633 HydrophobicContact CG-CD1 3.48Å; P596-Y633 VanDerWaalsContact CG-CD1 3.48Å; P596-Y633 HydrophobicContact CG-CE1 4.22Å; P596-Y633 HydrophobicContact CG-CG 4.01Å
597	L	98.2	Very high	97.3	Very high	26 Å²	26	28.1 Å²	28.1	14%	0.136	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-87.8	153	160.8	-57.5	163.5	0	0	0	107.5	R550 H599 T600 I601	R550-L597 HydrophobicContact CB-CD2 4.19Å; R550-L597 HydrophobicContact CG-CD2 4.2Å; L597-H599 VanDerWaalsContact C-N 3.27Å; L597-H599 PolarHBondContact O-N 3.08Å; L597-H599 VanDerWaalsContact O-N 3.15Å; L597-T600 WeakPolarHBondContact CA-OG1 3.44Å; L597-T600 HydrophobicContact CB-CG2 4.26Å; L597-T600 PolarHBondContact N-OG1 3.29Å; L597-T600 WeakPolarHBondContact O-CA 3.3Å; L597-T600 PolarHBondContact O-N 2.77Å; L597-T600 PolarHBondContact O-OG1 2.97Å; L597-I601 PolarHBondContact O-N 3.19Å
598	T	97.4	Very high	97.7	Very high	109 Å²	109	23.8 Å²	23.8	67%	0.669	13%	0.125	S	C	*	.	G	3₁₀ helix	trans	-50.8	-43.5	-176.1	-41.9	0	0	0	0	113.2	T600	T598-T600 PolarHBondContact O-N 2.85Å
599	H	96.5	Very high	97.9	Very high	115 Å²	115	20.7 Å²	20.7	53%	0.532	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-80.7	11.6	177.1	61	-80.1	0	0	0	115	K547 L597	K547-H599 PolarHBondContact O-NE2 3.46Å; L597-H599 VanDerWaalsContact C-N 3.27Å; L597-H599 PolarHBondContact O-N 3.08Å; L597-H599 VanDerWaalsContact O-N 3.15Å
600	T	97.5	Very high	97.9	Very high	11 Å²	11	24.3 Å²	24.3	7%	0.067	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-127.8	0.8	177.7	62.9	0	0	0	0	113.6	K548 L597 T598 E602 D603 F604	K548-T600 HydrophobicContact CB-CG2 4.05Å; K548-T600 HydrophobicContact CG-CG2 4.14Å; L597-T600 WeakPolarHBondContact CA-OG1 3.44Å; L597-T600 HydrophobicContact CB-CG2 4.26Å; L597-T600 PolarHBondContact N-OG1 3.29Å; L597-T600 WeakPolarHBondContact O-CA 3.3Å; L597-T600 PolarHBondContact O-N 2.77Å; L597-T600 PolarHBondContact O-OG1 2.97Å; T598-T600 PolarHBondContact O-N 2.85Å; T600-E602 VanDerWaalsContact C-N 3.26Å; T600-E602 PolarHBondContact O-N 3.03Å; T600-D603 PolarHBondContact O-N 2.87Å; T600-D603 VanDerWaalsContact O-N 3.17Å; T600-F604 PolarHBondContact O-N 3.32Å
601	I	98.4	Very high	97.8	Very high	13 Å²	13	28.2 Å²	28.2	7%	0.067	14%	0.137	C	C	.	.	H	α-helix	trans	-58.4	-39.7	178.7	-65.6	168.9	0	0	0	111.2	P596 L597 F604 W605 A631 Q632 H642	P596-I601 HydrophobicContact CB-CG1 4.11Å; L597-I601 PolarHBondContact O-N 3.19Å; I601-F604 PolarHBondContact O-N 3.05Å; I601-W605 PolarHBondContact O-N 2.71Å; I601-A631 HydrophobicContact CD1-CB 4.1Å; I601-A631 HydrophobicContact CG1-CB 4.49Å; I601-Q632 WeakPolarHBondContact CD1-O 3.45Å; I601-H642 VanDerWaalsContact CG2-CD2 3.47Å; I601-H642 WeakPolarHBondContact CG2-CD2 3.07Å; I601-H642 WeakPolarHBondContact CG2-NE2 3.5Å
602	E	96.9	Very high	97.7	Very high	57 Å²	57	35.2 Å²	35.2	27%	0.266	16%	0.163	S	C	.	.	H	α-helix	trans	-61	-49.6	175	-164.4	-154.6	145.6	0	0	111.5	K567 T600 F604 W605 R606 H642	K567-E602 WeakPolarHBondContact CE-OE1 3.04Å; K567-E602 IonicContact NZ-OE1 2.71Å; K567-E602 PolarHBondContact NZ-OE1 3.2Å; K567-E602 IonicContact NZ-OE2 3.03Å; K567-E602 PolarHBondContact NZ-OE2 3.28Å; T600-E602 VanDerWaalsContact C-N 3.26Å; T600-E602 PolarHBondContact O-N 3.03Å; E602-F604 VanDerWaalsContact C-N 3.29Å; E602-F604 PolarHBondContact O-N 2.83Å; E602-W605 PolarHBondContact O-N 2.84Å; E602-R606 HydrophobicContact CG-CG 4.49Å; E602-R606 WeakPolarHBondContact O-CB 3.23Å; E602-R606 WeakPolarHBondContact O-CD 3.45Å; E602-R606 WeakPolarHBondContact O-CG 3.48Å; E602-R606 PolarHBondContact O-N 2.99Å; E602-R606 WeakPolarHBondContact OE1-CD 3Å; E602-R606 IonicContact OE1-NE 2.76Å; E602-H642 HydrophobicContact CB-CB 4.35Å; E602-H642 HydrophobicContact CG-CB 4.36Å
603	D	97.3	Very high	97.6	Very high	12 Å²	12	35.3 Å²	35.3	6%	0.064	16%	0.163	C	C	.	.	H	α-helix	trans	-65.1	-32.7	-179.8	-69.8	-25.4	0	0	0	112.3	I564 V576 T600 R606 M607	I564-D603 HydrophobicContact CD1-CB 3.9Å; V576-D603 HydrophobicContact CG1-CB 3.75Å; T600-D603 PolarHBondContact O-N 2.87Å; T600-D603 VanDerWaalsContact O-N 3.17Å; D603-R606 PolarHBondContact O-N 3.05Å; D603-R606 IonicContact OD1-CZ 2.63Å; D603-R606 IonicContact OD1-NH1 3.2Å; D603-R606 PolarHBondContact OD1-NH1 3.04Å; D603-M607 WeakPolarHBondContact O-CB 3.4Å; D603-M607 PolarHBondContact O-N 3.26Å
604	F	98.5	Very high	97.5	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.035	17%	0.167	C	C	.	.	H	α-helix	trans	-64.6	-44	172.4	-177.2	-102.2	0	0	0	112.2	P596 T600 I601 E602 M607 I608 I616 Y633 T716	P596-F604 HydrophobicContact CB-CB 4.36Å; P596-F604 HydrophobicContact CB-CG 4.43Å; P596-F604 HydrophobicContact CG-CD1 4.27Å; P596-F604 HydrophobicContact CG-CG 4.28Å; T600-F604 PolarHBondContact O-N 3.32Å; I601-F604 PolarHBondContact O-N 3.05Å; E602-F604 VanDerWaalsContact C-N 3.29Å; E602-F604 PolarHBondContact O-N 2.83Å; F604-M607 HydrophobicContact CD2-CE 3.78Å; F604-M607 HydrophobicContact CE2-CE 3.95Å; F604-M607 WeakPolarHBondContact O-CB 3.31Å; F604-M607 PolarHBondContact O-N 2.63Å; F604-I608 HydrophobicContact CD1-CD1 3.67Å; F604-I608 HydrophobicContact CE1-CD1 3.39Å; F604-I608 HydrophobicContact CG-CD1 4.35Å; F604-I608 HydrophobicContact CZ-CD1 3.86Å; F604-I608 WeakPolarHBondContact O-CG1 3.44Å; F604-I608 PolarHBondContact O-N 3.33Å; F604-I616 HydrophobicContact CZ-CG2 4.31Å; F604-Y633 HydrophobicContact CD1-CD2 4.17Å; F604-Y633 HydrophobicContact CD1-CG 4.27Å; F604-Y633 HydrophobicContact CE1-CD1 4.29Å; F604-Y633 AromaticContact CE1-CD2 3.67Å; F604-Y633 HydrophobicContact CE1-CD2 3.67Å; F604-Y633 HydrophobicContact CE1-CE1 4.23Å; F604-Y633 AromaticContact CE1-CE2 3.64Å; F604-Y633 HydrophobicContact CE1-CE2 3.64Å; F604-Y633 HydrophobicContact CE1-CG 4Å; F604-Y633 AromaticContact CE1-CZ 3.9Å; F604-Y633 HydrophobicContact CZ-CE2 4.36Å; F604-T716 HydrophobicContact CE2-CG2 3.95Å; F604-T716 HydrophobicContact CZ-CG2 4.04Å
605	W	98.1	Very high	97.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-70.7	-35.7	174.9	-81.5	116.3	0	0	0	113.5	I601 E602 M607 I608 W609 I616 Y633 H642 I645 I647 L663 V665	I601-W605 PolarHBondContact O-N 2.71Å; E602-W605 PolarHBondContact O-N 2.84Å; W605-M607 VanDerWaalsContact C-N 3.31Å; W605-M607 PolarHBondContact O-N 2.66Å; W605-I608 HydrophobicContact CD2-CD1 4.33Å; W605-I608 HydrophobicContact CE3-CB 4.13Å; W605-I608 HydrophobicContact CE3-CD1 3.8Å; W605-I608 HydrophobicContact CE3-CG2 4.01Å; W605-I608 HydrophobicContact CZ3-CB 4.46Å; W605-I608 HydrophobicContact CZ3-CD1 3.9Å; W605-I608 HydrophobicContact CZ3-CG2 3.92Å; W605-I608 PolarHBondContact O-N 3.03Å; W605-W609 WeakPolarHBondContact O-CB 3.46Å; W605-W609 PolarHBondContact O-N 2.71Å; W605-I616 HydrophobicContact CH2-CD1 3.77Å; W605-I616 HydrophobicContact CZ3-CD1 4.01Å; W605-Y633 AromaticContact CZ2-CD2 3.8Å; W605-Y633 HydrophobicContact CZ2-CD2 3.8Å; W605-Y633 HydrophobicContact CZ2-CE2 4.32Å; W605-Y633 PolarHBondContact NE1-O 3.46Å; W605-H642 AromaticContact CD1-CD2 3.62Å; W605-H642 AromaticContact NE1-CD2 3.92Å; W605-I645 HydrophobicContact CB-CB 4.31Å; W605-I645 HydrophobicContact CB-CG1 4.44Å; W605-I645 HydrophobicContact CB-CG2 4.15Å; W605-I647 HydrophobicContact CD2-CD1 3.89Å; W605-I647 HydrophobicContact CD2-CG1 3.83Å; W605-I647 HydrophobicContact CE3-CG1 4.19Å; W605-I647 HydrophobicContact CG-CD1 3.87Å; W605-I647 HydrophobicContact CG-CG1 4.34Å; W605-I647 HydrophobicContact CH2-CG1 4.21Å; W605-I647 HydrophobicContact CH2-CG2 4.14Å; W605-I647 HydrophobicContact CZ2-CB 4.47Å; W605-I647 HydrophobicContact CZ2-CD1 4.42Å; W605-I647 HydrophobicContact CZ2-CG1 3.84Å; W605-I647 HydrophobicContact CZ2-CG2 3.95Å; W605-I647 HydrophobicContact CZ3-CG1 4.37Å; W605-L663 HydrophobicContact CH2-CD1 3.8Å; W605-L663 HydrophobicContact CZ2-CD1 4.18Å; W605-V665 HydrophobicContact CE3-CG1 4.26Å; W605-V665 HydrophobicContact CE3-CG2 4.27Å; W605-V665 HydrophobicContact CH2-CG2 4.04Å; W605-V665 HydrophobicContact CZ3-CG1 4.35Å; W605-V665 HydrophobicContact CZ3-CG2 3.57Å
606	R	96.9	Very high	97.5	Very high	28 Å²	28	35.4 Å²	35.4	11%	0.106	17%	0.165	C	C	.	.	H	α-helix	trans	-61.1	-40.1	171.5	-67.7	166.1	74.6	-123.7	-11.9	111.1	I564 P565 E602 D603 W609 E610	I564-R606 HydrophobicContact CD1-CB 4.35Å; P565-R606 PolarHBondContact O-NH2 2.98Å; E602-R606 HydrophobicContact CG-CG 4.49Å; E602-R606 WeakPolarHBondContact O-CB 3.23Å; E602-R606 WeakPolarHBondContact O-CD 3.45Å; E602-R606 WeakPolarHBondContact O-CG 3.48Å; E602-R606 PolarHBondContact O-N 2.99Å; E602-R606 WeakPolarHBondContact OE1-CD 3Å; E602-R606 IonicContact OE1-NE 2.76Å; D603-R606 PolarHBondContact O-N 3.05Å; D603-R606 IonicContact OD1-CZ 2.63Å; D603-R606 IonicContact OD1-NH1 3.2Å; D603-R606 PolarHBondContact OD1-NH1 3.04Å; R606-W609 PolarHBondContact O-N 3.42Å; R606-E610 WeakPolarHBondContact O-CB 3.29Å; R606-E610 PolarHBondContact O-N 3.26Å
607	M	98.2	Very high	97.5	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-61.8	-50.6	173.3	-178.8	-169.4	69.9	0	0	112.3	V562 I564 V576 A578 I591 D603 F604 W605 W609 E610 W611 T716	V562-M607 HydrophobicContact CB-SD 4.36Å; V562-M607 HydrophobicContact CG1-CG 3.68Å; V562-M607 HydrophobicContact CG1-SD 4.1Å; I564-M607 HydrophobicContact CG2-CB 3.71Å; I564-M607 HydrophobicContact CG2-CG 4.19Å; V576-M607 HydrophobicContact CB-SD 4.48Å; V576-M607 HydrophobicContact CG2-CG 4.25Å; V576-M607 HydrophobicContact CG2-SD 3.85Å; A578-M607 HydrophobicContact CB-SD 3.56Å; A578-M607 VanDerWaalsContact CB-SD 3.56Å; I591-M607 HydrophobicContact CG2-CE 3.93Å; I591-M607 HydrophobicContact CG2-SD 3.78Å; D603-M607 WeakPolarHBondContact O-CB 3.4Å; D603-M607 PolarHBondContact O-N 3.26Å; F604-M607 HydrophobicContact CD2-CE 3.78Å; F604-M607 HydrophobicContact CE2-CE 3.95Å; F604-M607 WeakPolarHBondContact O-CB 3.31Å; F604-M607 PolarHBondContact O-N 2.63Å; W605-M607 VanDerWaalsContact C-N 3.31Å; W605-M607 PolarHBondContact O-N 2.66Å; M607-W609 VanDerWaalsContact C-N 3.28Å; M607-W609 PolarHBondContact O-N 3.04Å; M607-E610 PolarHBondContact O-N 3.11Å; M607-W611 PolarHBondContact O-N 3.4Å; M607-W611 VanDerWaalsContact O-N 3.11Å; M607-T716 HydrophobicContact CE-CG2 3.8Å
608	I	98.3	Very high	97.6	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-58.7	-41.9	177.9	-73.2	158.3	0	0	0	111	F604 W605 R612 S613 I616 V676 T716	F604-I608 HydrophobicContact CD1-CD1 3.67Å; F604-I608 HydrophobicContact CE1-CD1 3.39Å; F604-I608 HydrophobicContact CG-CD1 4.35Å; F604-I608 HydrophobicContact CZ-CD1 3.86Å; F604-I608 WeakPolarHBondContact O-CG1 3.44Å; F604-I608 PolarHBondContact O-N 3.33Å; W605-I608 HydrophobicContact CD2-CD1 4.33Å; W605-I608 HydrophobicContact CE3-CB 4.13Å; W605-I608 HydrophobicContact CE3-CD1 3.8Å; W605-I608 HydrophobicContact CE3-CG2 4.01Å; W605-I608 HydrophobicContact CZ3-CB 4.46Å; W605-I608 HydrophobicContact CZ3-CD1 3.9Å; W605-I608 HydrophobicContact CZ3-CG2 3.92Å; W605-I608 PolarHBondContact O-N 3.03Å; I608-R612 WeakPolarHBondContact O-CA 3.4Å; I608-R612 PolarHBondContact O-N 2.94Å; I608-S613 PolarHBondContact O-N 3.4Å; I608-S613 VanDerWaalsContact O-N 3.09Å; I608-I616 HydrophobicContact CD1-CD1 3.61Å; I608-I616 HydrophobicContact CD1-CG1 4.12Å; I608-V676 HydrophobicContact CG2-CG1 4.35Å; I608-V676 HydrophobicContact CG2-CG2 4.43Å; I608-T716 HydrophobicContact CG1-CG2 4.45Å
609	W	97.4	Very high	97.6	Very high	11 Å²	11	28.9 Å²	28.9	4%	0.042	13%	0.126	C	C	.	.	H	α-helix	trans	-68.8	-46.8	179.5	-175.6	-92.7	0	0	0	113.5	W605 R606 M607 R612 I645 V665 N667 E670 K672 R674	W605-W609 WeakPolarHBondContact O-CB 3.46Å; W605-W609 PolarHBondContact O-N 2.71Å; R606-W609 PolarHBondContact O-N 3.42Å; M607-W609 VanDerWaalsContact C-N 3.28Å; M607-W609 PolarHBondContact O-N 3.04Å; W609-R612 PolarHBondContact O-N 3.44Å; W609-I645 HydrophobicContact CB-CD1 4.04Å; W609-I645 HydrophobicContact CD2-CD1 4.27Å; W609-I645 HydrophobicContact CG-CD1 3.95Å; W609-V665 HydrophobicContact CE3-CG1 4.01Å; W609-V665 HydrophobicContact CZ3-CG1 4.4Å; W609-V665 WeakPolarHBondContact CZ3-O 3.15Å; W609-N667 HydrophobicContact CD2-CB 3.87Å; W609-N667 VanDerWaalsContact CE2-CB 3.42Å; W609-N667 HydrophobicContact CE3-CB 4.22Å; W609-N667 HydrophobicContact CH2-CB 3.79Å; W609-N667 HydrophobicContact CZ2-CB 3.4Å; W609-N667 HydrophobicContact CZ3-CB 4.18Å; W609-N667 PolarHBondContact NE1-ND2 3.34Å; W609-E670 HydrophobicContact CZ2-CB 4.46Å; W609-E670 PolarHBondContact NE1-OE1 3.49Å; W609-K672 HydrophobicContact CH2-CB 3.87Å; W609-K672 VanDerWaalsContact CH2-O 3.26Å; W609-K672 WeakPolarHBondContact CH2-O 3.4Å; W609-K672 HydrophobicContact CZ2-CB 4.08Å; W609-R674 HydrophobicContact CH2-CG 3.84Å; W609-R674 VanDerWaalsContact CH2-NE 3.34Å; W609-R674 HydrophobicContact CZ3-CB 4.13Å; W609-R674 HydrophobicContact CZ3-CG 3.63Å; W609-R674 PolarHBondContact O-NH1 3.46Å; W609-R674 PolarHBondContact O-NH2 3.32Å
610	E	96.6	Very high	97.7	Very high	92 Å²	92	23.6 Å²	23.6	43%	0.43	10%	0.102	S	C	.	.	H	α-helix	trans	-60.4	-52.6	179.7	-175	63.9	-157	0	0	110.6	P565 R606 M607 R612	P565-E610 HydrophobicContact CG-CG 4.2Å; P565-E610 VanDerWaalsContact CG-OE2 3.25Å; P565-E610 WeakPolarHBondContact CG-OE2 3.31Å; R606-E610 WeakPolarHBondContact O-CB 3.29Å; R606-E610 PolarHBondContact O-N 3.26Å; M607-E610 PolarHBondContact O-N 3.11Å; E610-R612 PolarHBondContact O-N 3.27Å
611	W	96.8	Very high	97.7	Very high	93 Å²	93	26.2 Å²	26.2	35%	0.352	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	5.5	-173.9	-63	100.7	0	0	0	114.3	V562 I563 F580 I591 M607 S613	V562-W611 VanDerWaalsContact CG1-CD1 3.42Å; V562-W611 HydrophobicContact CG1-CG 4.2Å; V562-W611 VanDerWaalsContact CG1-NE1 3.33Å; I563-W611 WeakPolarHBondContact O-CZ2 3.19Å; I563-W611 PolarHBondContact O-NE1 2.91Å; F580-W611 HydrophobicContact CE1-CD2 4.27Å; F580-W611 HydrophobicContact CE1-CE3 4.19Å; F580-W611 HydrophobicContact CE2-CH2 4.19Å; F580-W611 HydrophobicContact CE2-CZ2 4.16Å; F580-W611 HydrophobicContact CE2-CZ3 4.38Å; F580-W611 AromaticContact CZ-CD2 3.53Å; F580-W611 HydrophobicContact CZ-CD2 3.53Å; F580-W611 AromaticContact CZ-CE2 3.72Å; F580-W611 AromaticContact CZ-CE3 3.58Å; F580-W611 HydrophobicContact CZ-CE3 3.58Å; F580-W611 HydrophobicContact CZ-CG 4.07Å; F580-W611 AromaticContact CZ-CH2 3.98Å; F580-W611 HydrophobicContact CZ-CH2 3.98Å; F580-W611 AromaticContact CZ-CZ2 3.95Å; F580-W611 HydrophobicContact CZ-CZ2 3.95Å; F580-W611 AromaticContact CZ-CZ3 3.8Å; F580-W611 HydrophobicContact CZ-CZ3 3.8Å; I591-W611 HydrophobicContact CD1-CB 3.89Å; I591-W611 HydrophobicContact CD1-CG 4.4Å; M607-W611 PolarHBondContact O-N 3.4Å; M607-W611 VanDerWaalsContact O-N 3.11Å; W611-S613 PolarHBondContact O-N 2.94Å
612	R	96.4	Very high	97.6	Very high	146 Å²	146	28.1 Å²	28.1	55%	0.551	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	30	173.2	-42.4	-173.7	-178.8	-176.4	0.5	114.4	I608 W609 E610 C614 H713	I608-R612 WeakPolarHBondContact O-CA 3.4Å; I608-R612 PolarHBondContact O-N 2.94Å; W609-R612 PolarHBondContact O-N 3.44Å; E610-R612 PolarHBondContact O-N 3.27Å; R612-C614 PolarHBondContact O-N 2.81Å; R612-C614 PolarHBondContact O-SG 3.02Å; R612-H713 HydrophobicContact CB-CB 4.46Å; R612-H713 VanDerWaalsContact CB-CD2 3.48Å; R612-H713 WeakPolarHBondContact CB-CD2 3.31Å; R612-H713 WeakPolarHBondContact O-CB 3.27Å; R612-H713 PolarHBondContact O-CD2 3.4Å
613	S	96.9	Very high	97.6	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.014	14%	0.138	C	C	.	.			trans	-60.2	121.5	175.4	173.1	0	0	0	0	110.1	I608 W611 S615 P714 T716	I608-S613 PolarHBondContact O-N 3.4Å; I608-S613 VanDerWaalsContact O-N 3.09Å; W611-S613 PolarHBondContact O-N 2.94Å; S613-S615 PolarHBondContact OG-O 3.08Å; S613-P714 WeakPolarHBondContact CA-O 3.38Å; S613-P714 VanDerWaalsContact CB-O 3.28Å; S613-P714 WeakPolarHBondContact CB-O 3.46Å; S613-P714 PolarHBondContact OG-O 3.06Å; S613-T716 WeakPolarHBondContact CB-OG1 3.45Å; S613-T716 PolarHBondContact OG-N 3.4Å; S613-T716 PolarHBondContact OG-OG1 2.98Å
614	C	96.1	Very high	97.4	Very high	16 Å²	16	31.4 Å²	31.4	11%	0.108	14%	0.138	C	C	.	.			trans	-106.1	-0.4	177.9	-69.8	0	0	0	0	112.6	R612 R677 Q706	R612-C614 PolarHBondContact O-N 2.81Å; R612-C614 PolarHBondContact O-SG 3.02Å; C614-R677 PolarHBondContact O-N 3.48Å; C614-Q706 PolarHBondContact O-NE2 3.36Å
615	S	98.2	Very high	97.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	111.4	-174.3	-58.6	0	0	0	0	109	S613 R677 Q706 Q707 T716	S613-S615 PolarHBondContact OG-O 3.08Å; S615-R677 WeakPolarHBondContact CA-O 3.27Å; S615-Q706 WeakPolarHBondContact OG-CG 3.29Å; S615-Q707 PolarHBondContact OG-OE1 2.92Å; S615-T716 PolarHBondContact O-N 3.48Å
616	I	98.8	Very high	96.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.4	174.6	-50.4	168	0	0	0	108.3	F604 W605 I608 Y633 V676 R677 Q678 F679 T716	F604-I616 HydrophobicContact CZ-CG2 4.31Å; W605-I616 HydrophobicContact CH2-CD1 3.77Å; W605-I616 HydrophobicContact CZ3-CD1 4.01Å; I608-I616 HydrophobicContact CD1-CD1 3.61Å; I608-I616 HydrophobicContact CD1-CG1 4.12Å; I616-Y633 HydrophobicContact CD1-CE2 4.32Å; I616-Y633 HydrophobicContact CG2-CE2 4.47Å; I616-Y633 WeakPolarHBondContact CG2-OH 3.42Å; I616-V676 HydrophobicContact CD1-CG1 3.67Å; I616-V676 HydrophobicContact CG1-CG1 3.79Å; I616-R677 PolarHBondContact N-O 3.44Å; I616-Q678 HydrophobicContact CB-CG 4.3Å; I616-Q678 HydrophobicContact CG2-CG 4.46Å; I616-Q678 CarbonylContact O-C 3.51Å; I616-Q678 WeakPolarHBondContact O-CA 3.05Å; I616-F679 PolarHBondContact O-N 3.33Å; I616-T716 CarbonylContact C-O 3.47Å; I616-T716 VanDerWaalsContact CA-O 3.31Å; I616-T716 WeakPolarHBondContact CA-O 3.41Å; I616-T716 HydrophobicContact CG2-CG2 4.45Å
617	V	98.8	Very high	96.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	115.1	178.4	-173.9	0	0	0	0	108.7	L619 F679 I699 V703 I715 T716 V717 H718 F729	V617-L619 HydrophobicContact CG1-CD1 4.41Å; V617-L619 HydrophobicContact CG1-CD2 3.87Å; V617-L619 HydrophobicContact CG1-CG 4.01Å; V617-F679 WeakPolarHBondContact CA-O 3.43Å; V617-I699 HydrophobicContact CG1-CD1 4.14Å; V617-V703 HydrophobicContact CG2-CG1 4.26Å; V617-V703 HydrophobicContact CG2-CG2 3.64Å; V617-I715 HydrophobicContact CG2-CG2 3.79Å; V617-T716 PolarHBondContact N-O 3.1Å; V617-V717 HydrophobicContact CB-CG1 4.28Å; V617-V717 HydrophobicContact CB-CG2 4.28Å; V617-V717 HydrophobicContact CG1-CG1 4.5Å; V617-V717 HydrophobicContact CG2-CG2 4.43Å; V617-H718 PolarHBondContact O-N 3.33Å; V617-F729 HydrophobicContact CB-CZ 4.44Å; V617-F729 HydrophobicContact CG1-CD2 4.08Å; V617-F729 HydrophobicContact CG1-CE1 4.38Å; V617-F729 HydrophobicContact CG1-CE2 3.84Å; V617-F729 HydrophobicContact CG1-CG 4.46Å; V617-F729 HydrophobicContact CG1-CZ 4.02Å; V617-F729 HydrophobicContact CG2-CE1 4.18Å; V617-F729 HydrophobicContact CG2-CZ 3.9Å
618	M	98.8	Very high	96.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	117.4	-179.5	177.7	159.1	170.8	0	0	109.4	T620 L622 C630 Y633 W634 F679 H680 F681 H718	M618-T620 HydrophobicContact CE-CG2 4.4Å; M618-T620 WeakPolarHBondContact CE-O 3.3Å; M618-T620 WeakPolarHBondContact CG-O 3.49Å; M618-L622 HydrophobicContact CE-CD2 4.03Å; M618-C630 HydrophobicContact CE-CB 4.02Å; M618-Y633 HydrophobicContact SD-CE1 3.83Å; M618-W634 HydrophobicContact CE-CH2 3.75Å; M618-W634 HydrophobicContact CE-CZ3 3.92Å; M618-W634 HydrophobicContact SD-CH2 3.75Å; M618-W634 HydrophobicContact SD-CZ3 3.51Å; M618-W634 VanDerWaalsContact SD-CZ3 3.51Å; M618-F679 PolarHBondContact N-O 3.05Å; M618-H680 HydrophobicContact CB-CB 4.48Å; M618-F681 PolarHBondContact O-N 2.95Å; M618-H718 WeakPolarHBondContact CB-NE2 3.3Å; M618-H718 WeakPolarHBondContact CG-CE1 3.28Å; M618-H718 VanDerWaalsContact SD-CE1 3.59Å
619	L	98.4	Very high	96.5	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.242	C	C	.	.			trans	-115.4	38.2	-171.8	-57.4	162.6	0	0	0	111.5	V617 F681 M696 V717 H718 C719 R725 F729	V617-L619 HydrophobicContact CG1-CD1 4.41Å; V617-L619 HydrophobicContact CG1-CD2 3.87Å; V617-L619 HydrophobicContact CG1-CG 4.01Å; L619-F681 HydrophobicContact CD2-CB 3.89Å; L619-F681 HydrophobicContact CD2-CD1 4.31Å; L619-F681 HydrophobicContact CD2-CG 4.3Å; L619-M696 HydrophobicContact CD2-CE 4.45Å; L619-V717 HydrophobicContact CD1-CG1 3.65Å; L619-H718 PolarHBondContact N-O 3.46Å; L619-C719 HydrophobicContact CB-CB 4.11Å; L619-R725 HydrophobicContact CB-CB 4.03Å; L619-R725 HydrophobicContact CD1-CB 4.49Å; L619-R725 WeakPolarHBondContact O-CD 3.33Å; L619-R725 PolarHBondContact O-NH1 3.08Å; L619-R725 VanDerWaalsContact O-NH1 3.08Å; L619-F729 HydrophobicContact CD1-CB 3.54Å; L619-F729 HydrophobicContact CD1-CG 4.1Å; L619-F729 HydrophobicContact CD2-CD2 4.26Å
620	T	97.6	Very high	96.6	Very high	4 Å²	4	50.5 Å²	50.5	3%	0.025	24%	0.24	C	C	.	.	S	Bend	trans	-164.9	144.9	-175.2	-152.3	0	0	0	0	107.7	M618 E624 K629 C630 H680 C719 R725	M618-T620 HydrophobicContact CE-CG2 4.4Å; M618-T620 WeakPolarHBondContact CE-O 3.3Å; M618-T620 WeakPolarHBondContact CG-O 3.49Å; T620-E624 VanDerWaalsContact CA-OE1 3.27Å; T620-E624 WeakPolarHBondContact CA-OE1 3.45Å; T620-E624 WeakPolarHBondContact CB-OE1 3.46Å; T620-E624 PolarHBondContact OG1-OE1 3.33Å; T620-K629 HydrophobicContact CG2-CB 4.25Å; T620-K629 WeakPolarHBondContact OG1-CB 3.31Å; T620-C630 HydrophobicContact CG2-CB 3.88Å; T620-H680 PolarHBondContact O-NE2 2.96Å; T620-H680 VanDerWaalsContact O-NE2 3.16Å; T620-C719 VanDerWaalsContact CG2-C 3.46Å; T620-R725 PolarHBondContact OG1-NH1 2.94Å
621	E	97.9	Very high	96.6	Very high	65 Å²	65	46.6 Å²	46.6	30%	0.304	22%	0.224	S	C	.	.			trans	-73.9	172.7	168.8	-65.3	-55	147.8	0	0	110.6	E623 E624 K629 H680 H682	E621-E623 VanDerWaalsContact C-N 3.32Å; E621-E624 HydrophobicContact CB-CG 4.01Å; E621-E624 PolarHBondContact N-OE1 3.3Å; E621-K629 WeakPolarHBondContact O-CB 3.23Å; E621-H680 IonicContact OE1-CE1 3.68Å; E621-H680 IonicContact OE1-NE2 2.73Å; E621-H680 IonicContact OE2-CE1 2.74Å; E621-H680 PolarHBondContact OE2-CE1 3.19Å; E621-H680 IonicContact OE2-NE2 3.83Å; E621-H680 PolarHBondContact OE2-NE2 2.82Å; E621-H682 IonicContact OE1-CE1 3.1Å; E621-H682 IonicContact OE1-CG 2.66Å; E621-H682 IonicContact OE1-ND1 2.61Å; E621-H682 PolarHBondContact OE1-ND1 2.87Å; E621-H682 IonicContact OE2-ND1 2.72Å
622	L	97.4	Very high	96.7	Very high	54 Å²	54	45.7 Å²	45.7	28%	0.283	22%	0.224	S	C	.	.	S	Bend	trans	-62.7	-42.8	174.4	-63.5	174.3	0	0	0	111.2	M618 K629 C630 Q632 W634	M618-L622 HydrophobicContact CE-CD2 4.03Å; L622-K629 PolarHBondContact O-N 2.92Å; L622-C630 WeakPolarHBondContact CA-O 3.3Å; L622-C630 WeakPolarHBondContact CD2-O 3.4Å; L622-C630 PolarHBondContact O-N 2.82Å; L622-Q632 HydrophobicContact CD1-CB 4.05Å; L622-Q632 HydrophobicContact CD1-CG 4.43Å; L622-Q632 HydrophobicContact CD2-CB 3.78Å; L622-Q632 HydrophobicContact CD2-CG 4.43Å; L622-W634 HydrophobicContact CD2-CH2 3.73Å; L622-W634 HydrophobicContact CD2-CZ3 4.16Å; L622-W634 HydrophobicContact CG-CH2 4.31Å
623	E	96.6	Very high	96.8	Very high	123 Å²	123	38.8 Å²	38.8	58%	0.575	20%	0.198	S	C	*	.	B	Isolated β-bridge	trans	-129.2	138.6	176.3	-171.1	178.7	105.6	0	0	109.7	E621 G626 Q627	E621-E623 VanDerWaalsContact C-N 3.32Å; E623-G626 WeakPolarHBondContact OE1-CA 3.31Å; E623-Q627 WeakPolarHBondContact CA-O 3.23Å
624	E	93.8	Very high	96.8	Very high	14 Å²	14	39.5 Å²	39.5	7%	0.065	20%	0.2	C	C	.	.	S	Bend	trans	-137.5	127.9	170.5	-59	170	-150.8	0	0	108.7	T620 E621 Q627 K629 E686 R725	T620-E624 VanDerWaalsContact CA-OE1 3.27Å; T620-E624 WeakPolarHBondContact CA-OE1 3.45Å; T620-E624 WeakPolarHBondContact CB-OE1 3.46Å; T620-E624 PolarHBondContact OG1-OE1 3.33Å; E621-E624 HydrophobicContact CB-CG 4.01Å; E621-E624 PolarHBondContact N-OE1 3.3Å; E624-Q627 PolarHBondContact N-O 3.06Å; E624-Q627 VanDerWaalsContact N-O 3.11Å; E624-Q627 PolarHBondContact O-N 2.89Å; E624-K629 HydrophobicContact CB-CD 4.4Å; E624-K629 HydrophobicContact CB-CG 3.83Å; E624-K629 HydrophobicContact CG-CG 3.85Å; E624-K629 WeakPolarHBondContact O-CE 3.48Å; E624-K629 PolarHBondContact O-NZ 3.41Å; E624-E686 WeakPolarHBondContact CA-OE1 3.33Å; E624-E686 HydrophobicContact CB-CG 4.24Å; E624-R725 IonicContact OE1-CZ 2.67Å; E624-R725 IonicContact OE1-NH1 3.08Å; E624-R725 PolarHBondContact OE1-NH1 2.93Å; E624-R725 IonicContact OE1-NH2 2.87Å; E624-R725 IonicContact OE2-CZ 3.7Å; E624-R725 IonicContact OE2-NH1 2.91Å; E624-R725 PolarHBondContact OE2-NH1 3.43Å; E624-R725 IonicContact OE2-NH2 3.39Å; E624-R725 PolarHBondContact OE2-NH2 2.77Å
625	R	93	Very high	96.8	Very high	155 Å²	155	39.2 Å²	39.2	59%	0.585	20%	0.198	S	C	*	.	S	Bend	trans	54.4	41.3	-173.4	-45.7	-167.8	-152	177	9.4	114.6	E686	R625-E686 HydrophobicContact CG-CB 3.93Å; R625-E686 HydrophobicContact CG-CG 4.38Å; R625-E686 WeakPolarHBondContact CG-OE2 3.44Å; R625-E686 VanDerWaalsContact CZ-O 3.28Å; R625-E686 PolarHBondContact N-OE1 3.18Å; R625-E686 PolarHBondContact NE-O 3.1Å; R625-E686 PolarHBondContact NH2-O 3.49Å
626	G	91.4	Very high	96.4	Very high	58 Å²	58	43.4 Å²	43.4	60%	0.598	23%	0.227	S	C	*	.	S	Bend	trans	71.5	27.8	-179.6	0	0	0	0	0	113.9	E623	E623-G626 WeakPolarHBondContact OE1-CA 3.31Å
627	Q	93.5	Very high	95.9	Very high	119 Å²	119	50.4 Å²	50.4	56%	0.556	27%	0.265	S	S	*	.	S	Bend	trans	-138.2	124.8	179.6	-67.1	-175.9	-8.9	0	0	111.7	E623 E624 K629	E623-Q627 WeakPolarHBondContact CA-O 3.23Å; E624-Q627 PolarHBondContact N-O 3.06Å; E624-Q627 VanDerWaalsContact N-O 3.11Å; E624-Q627 PolarHBondContact O-N 2.89Å; Q627-K629 WeakPolarHBondContact O-CD 3.35Å; Q627-K629 WeakPolarHBondContact O-CE 2.98Å; Q627-K629 WeakPolarHBondContact O-CG 3.17Å; Q627-K629 PolarHBondContact O-N 2.86Å
628	D	95.3	Very high	95.5	Very high	84 Å²	84	52 Å²	52	45%	0.449	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-51.1	119.1	171.1	174.9	86.5	0	0	0	110.9	R550	R550-D628 IonicContact CZ-OD2 3.36Å; R550-D628 PolarHBondContact NH1-O 3.39Å; R550-D628 IonicContact NH1-OD2 2.71Å; R550-D628 PolarHBondContact NH1-OD2 2.99Å; R550-D628 IonicContact NH2-OD2 3.04Å; R550-D628 PolarHBondContact NH2-OD2 3.44Å
629	K	97.4	Very high	95.3	Very high	34 Å²	34	55 Å²	55	15%	0.148	31%	0.306	C	S	.	.			trans	-104.8	-32.7	175	-57.9	-47.1	178.7	-168.2	0	111.6	R550 T620 E621 L622 E624 Q627 S720	R550-K629 PolarHBondContact NE-O 3.41Å; R550-K629 PolarHBondContact NH1-O 2.89Å; R550-K629 PolarHBondContact NH2-O 3.05Å; T620-K629 HydrophobicContact CG2-CB 4.25Å; T620-K629 WeakPolarHBondContact OG1-CB 3.31Å; E621-K629 WeakPolarHBondContact O-CB 3.23Å; L622-K629 PolarHBondContact O-N 2.92Å; E624-K629 HydrophobicContact CB-CD 4.4Å; E624-K629 HydrophobicContact CB-CG 3.83Å; E624-K629 HydrophobicContact CG-CG 3.85Å; E624-K629 WeakPolarHBondContact O-CE 3.48Å; E624-K629 PolarHBondContact O-NZ 3.41Å; Q627-K629 WeakPolarHBondContact O-CD 3.35Å; Q627-K629 WeakPolarHBondContact O-CE 2.98Å; Q627-K629 WeakPolarHBondContact O-CG 3.17Å; Q627-K629 PolarHBondContact O-N 2.86Å; K629-S720 WeakPolarHBondContact CA-OG 3.33Å; K629-S720 WeakPolarHBondContact O-CA 3.41Å; K629-S720 WeakPolarHBondContact O-CB 3.31Å; K629-S720 PolarHBondContact O-OG 2.93Å
630	C	98.2	Very high	95.2	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.007	32%	0.319	C	S	.	.			trans	-154.2	128.9	179.9	-173.5	0	0	0	0	110	M618 T620 L622 H718	M618-C630 HydrophobicContact CE-CB 4.02Å; T620-C630 HydrophobicContact CG2-CB 3.88Å; L622-C630 WeakPolarHBondContact CA-O 3.3Å; L622-C630 WeakPolarHBondContact CD2-O 3.4Å; L622-C630 PolarHBondContact O-N 2.82Å; C630-H718 VanDerWaalsContact SG-CE1 3.6Å
631	A	98.1	Very high	95.1	Very high	10 Å²	10	60.4 Å²	60.4	8%	0.083	34%	0.342	C	S	.	.			trans	-68.6	142.8	167.8	0	0	0	0	0	109.9	P596 I601 Y633	P596-A631 WeakPolarHBondContact O-CB 3.37Å; P596-A631 PolarHBondContact O-N 3.18Å; I601-A631 HydrophobicContact CD1-CB 4.1Å; I601-A631 HydrophobicContact CG1-CB 4.49Å; A631-Y633 PolarHBondContact O-N 3.42Å
632	Q	98.1	Very high	94.9	Very high	74 Å²	74	59.3 Å²	59.3	35%	0.346	34%	0.337	S	S	.	.			trans	-68.1	121.2	176.3	-172.8	178.7	-26.1	0	0	109.8	I601 L622 W634 S636	I601-Q632 WeakPolarHBondContact CD1-O 3.45Å; L622-Q632 HydrophobicContact CD1-CB 4.05Å; L622-Q632 HydrophobicContact CD1-CG 4.43Å; L622-Q632 HydrophobicContact CD2-CB 3.78Å; L622-Q632 HydrophobicContact CD2-CG 4.43Å; Q632-W634 HydrophobicContact CG-CD2 3.87Å; Q632-W634 HydrophobicContact CG-CE3 4.01Å; Q632-W634 HydrophobicContact CG-CG 4.46Å; Q632-W634 HydrophobicContact CG-CH2 4.14Å; Q632-W634 HydrophobicContact CG-CZ2 3.98Å; Q632-W634 HydrophobicContact CG-CZ3 4.14Å; Q632-W634 WeakPolarHBondContact CG-O 3.11Å; Q632-W634 PolarHBondContact NE2-O 2.91Å; Q632-S636 PolarHBondContact NE2-OG 3.36Å
633	Y	97.9	Very high	94.6	Very high	1 Å²	1	59 Å²	59	0%	0.004	35%	0.347	C	S	.	.			trans	-112.8	5.6	-175.3	60.5	-95.9	0	0	0	113.8	P596 F604 W605 I616 M618 A631 Q678 H718	P596-Y633 HydrophobicContact CG-CD1 3.48Å; P596-Y633 VanDerWaalsContact CG-CD1 3.48Å; P596-Y633 HydrophobicContact CG-CE1 4.22Å; P596-Y633 HydrophobicContact CG-CG 4.01Å; F604-Y633 HydrophobicContact CD1-CD2 4.17Å; F604-Y633 HydrophobicContact CD1-CG 4.27Å; F604-Y633 HydrophobicContact CE1-CD1 4.29Å; F604-Y633 AromaticContact CE1-CD2 3.67Å; F604-Y633 HydrophobicContact CE1-CD2 3.67Å; F604-Y633 HydrophobicContact CE1-CE1 4.23Å; F604-Y633 AromaticContact CE1-CE2 3.64Å; F604-Y633 HydrophobicContact CE1-CE2 3.64Å; F604-Y633 HydrophobicContact CE1-CG 4Å; F604-Y633 AromaticContact CE1-CZ 3.9Å; F604-Y633 HydrophobicContact CZ-CE2 4.36Å; W605-Y633 AromaticContact CZ2-CD2 3.8Å; W605-Y633 HydrophobicContact CZ2-CD2 3.8Å; W605-Y633 HydrophobicContact CZ2-CE2 4.32Å; W605-Y633 PolarHBondContact NE1-O 3.46Å; I616-Y633 HydrophobicContact CD1-CE2 4.32Å; I616-Y633 HydrophobicContact CG2-CE2 4.47Å; I616-Y633 WeakPolarHBondContact CG2-OH 3.42Å; M618-Y633 HydrophobicContact SD-CE1 3.83Å; A631-Y633 PolarHBondContact O-N 3.42Å; Y633-Q678 PolarHBondContact OH-NE2 2.85Å; Y633-H718 AromaticContact CE1-CE1 3.72Å; Y633-H718 AromaticContact CE1-NE2 3.39Å; Y633-H718 WeakPolarHBondContact CE1-NE2 3.28Å; Y633-H718 AromaticContact CZ-NE2 3.48Å; Y633-H718 PolarHBondContact OH-NE2 3.47Å
634	W	97.8	Very high	94.5	Very high	17 Å²	17	54.9 Å²	54.9	6%	0.064	33%	0.329	C	S	.	.	S	Bend	trans	-124	151.8	177.4	67	93.1	0	0	0	109.6	M618 L622 Q632 L663	M618-W634 HydrophobicContact CE-CH2 3.75Å; M618-W634 HydrophobicContact CE-CZ3 3.92Å; M618-W634 HydrophobicContact SD-CH2 3.75Å; M618-W634 HydrophobicContact SD-CZ3 3.51Å; M618-W634 VanDerWaalsContact SD-CZ3 3.51Å; L622-W634 HydrophobicContact CD2-CH2 3.73Å; L622-W634 HydrophobicContact CD2-CZ3 4.16Å; L622-W634 HydrophobicContact CG-CH2 4.31Å; Q632-W634 HydrophobicContact CG-CD2 3.87Å; Q632-W634 HydrophobicContact CG-CE3 4.01Å; Q632-W634 HydrophobicContact CG-CG 4.46Å; Q632-W634 HydrophobicContact CG-CH2 4.14Å; Q632-W634 HydrophobicContact CG-CZ2 3.98Å; Q632-W634 HydrophobicContact CG-CZ3 4.14Å; Q632-W634 WeakPolarHBondContact CG-O 3.11Å; Q632-W634 PolarHBondContact NE2-O 2.91Å; W634-L663 HydrophobicContact CB-CD1 4.18Å; W634-L663 HydrophobicContact CB-CD2 4.36Å
635	P	96.2	Very high	94.6	Very high	11 Å²	11	54.4 Å²	54.4	7%	0.071	33%	0.327	C	S	.	.			trans	-71.8	140.5	175.6	31.1	-32.8	0	0	0	110.4	D637 V640 L649	P635-D637 VanDerWaalsContact C-N 3.34Å; P635-V640 HydrophobicContact CB-CB 4.19Å; P635-V640 HydrophobicContact CB-CG1 4.03Å; P635-V640 HydrophobicContact CG-CG1 4.15Å; P635-L649 HydrophobicContact CG-CB 4.13Å
636	S	90.6	Very high	94.8	Very high	88 Å²	88	50 Å²	50	62%	0.615	32%	0.315	S	S	*	.	S	Bend	trans	-73.8	-28.1	171	-52.6	0	0	0	0	112.4	Q632	Q632-S636 PolarHBondContact NE2-OG 3.36Å
637	D	87.6	Confident	95.2	Very high	147 Å²	147	47.3 Å²	47.3	79%	0.786	29%	0.286	S	S	*	.	S	Bend	trans	-151.6	154.5	172.9	-177.4	26.8	0	0	0	109.2	P635 A639	P635-D637 VanDerWaalsContact C-N 3.34Å; D637-A639 PolarHBondContact O-N 3.48Å
638	G	90.5	Very high	95.4	Very high	34 Å²	34	44.7 Å²	44.7	35%	0.351	27%	0.274	S	S	.	.	S	Bend	trans	60.3	-130.7	178.9	0	0	0	0	0	113.8	E648 L649	G638-E648 WeakPolarHBondContact O-CA 3.4Å; G638-L649 PolarHBondContact O-N 3.21Å
639	A	94.1	Very high	95.5	Very high	63 Å²	63	42.3 Å²	42.3	52%	0.521	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	145.3	-175.3	0	0	0	0	0	113.3	D637 I646 I647 E648	D637-A639 PolarHBondContact O-N 3.48Å; A639-I646 HydrophobicContact CB-CG2 4.26Å; A639-I647 CarbonylContact C-O 3.53Å; A639-I647 WeakPolarHBondContact CA-O 3.32Å; A639-E648 HydrophobicContact CB-CB 3.91Å; A639-E648 HydrophobicContact CB-CG 4.08Å
640	V	96.4	Very high	95.4	Very high	45 Å²	45	45.8 Å²	45.8	27%	0.273	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	149.4	173.5	68.1	0	0	0	0	109.9	P635 I646 I647	P635-V640 HydrophobicContact CB-CB 4.19Å; P635-V640 HydrophobicContact CB-CG1 4.03Å; P635-V640 HydrophobicContact CG-CG1 4.15Å; V640-I646 WeakPolarHBondContact O-CA 3.18Å; V640-I647 HydrophobicContact CG1-CB 4.26Å; V640-I647 HydrophobicContact CG1-CD1 4.38Å; V640-I647 PolarHBondContact N-O 2.99Å; V640-I647 PolarHBondContact O-N 3.35Å
641	S	95.5	Very high	95.3	Very high	72 Å²	72	52 Å²	52	50%	0.503	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.9	177.4	-169	0	0	0	0	111.5
642	H	94.3	Very high	95.2	Very high	41 Å²	41	56.6 Å²	56.6	19%	0.19	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	96.8	175	-60.2	-50.2	0	0	0	108.9	I601 E602 W605 D644 I645	I601-H642 VanDerWaalsContact CG2-CD2 3.47Å; I601-H642 WeakPolarHBondContact CG2-CD2 3.07Å; I601-H642 WeakPolarHBondContact CG2-NE2 3.5Å; E602-H642 HydrophobicContact CB-CB 4.35Å; E602-H642 HydrophobicContact CG-CB 4.36Å; W605-H642 AromaticContact CD1-CD2 3.62Å; W605-H642 AromaticContact NE1-CD2 3.92Å; H642-D644 PolarHBondContact O-N 2.99Å; H642-I645 PolarHBondContact N-O 3.49Å; H642-I645 PolarHBondContact O-N 2.93Å; H642-I645 VanDerWaalsContact O-N 3.12Å
643	G	91.4	Very high	95.1	Very high	49 Å²	49	56.1 Å²	56.1	51%	0.505	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	-116.7	-172.9	0	0	0	0	0	111
644	D	92.8	Very high	95	Very high	36 Å²	36	64.2 Å²	64.2	19%	0.193	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-7.3	178.8	-47.3	-60.2	0	0	0	113.7	H642 N667 S668 R669	H642-D644 PolarHBondContact O-N 2.99Å; D644-N667 WeakPolarHBondContact O-CA 3.23Å; D644-S668 PolarHBondContact O-N 3.19Å; D644-S668 PolarHBondContact O-OG 3.13Å; D644-S668 VanDerWaalsContact O-OG 3.14Å; D644-R669 HydrophobicContact CB-CG 4.13Å; D644-R669 IonicContact OD1-CZ 4Å; D644-R669 IonicContact OD1-NE 3.36Å; D644-R669 PolarHBondContact OD1-NE 3Å; D644-R669 IonicContact OD1-NH2 2.65Å; D644-R669 PolarHBondContact OD1-NH2 2.99Å; D644-R669 IonicContact OD2-CZ 3.39Å; D644-R669 IonicContact OD2-NE 3.84Å; D644-R669 PolarHBondContact OD2-NE 3.21Å; D644-R669 VanDerWaalsContact OD2-NE 3.08Å; D644-R669 IonicContact OD2-NH1 3.22Å; D644-R669 PolarHBondContact OD2-NH1 3.29Å; D644-R669 IonicContact OD2-NH2 2.64Å; D644-R669 PolarHBondContact OD2-NH2 2.95Å
645	I	96.8	Very high	94.8	Very high	4 Å²	4	66.4 Å²	66.4	2%	0.021	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	114.9	-174.8	-50.6	-58.5	0	0	0	109.5	W605 W609 H642 I647 V665 N667	W605-I645 HydrophobicContact CB-CB 4.31Å; W605-I645 HydrophobicContact CB-CG1 4.44Å; W605-I645 HydrophobicContact CB-CG2 4.15Å; W609-I645 HydrophobicContact CB-CD1 4.04Å; W609-I645 HydrophobicContact CD2-CD1 4.27Å; W609-I645 HydrophobicContact CG-CD1 3.95Å; H642-I645 PolarHBondContact N-O 3.49Å; H642-I645 PolarHBondContact O-N 2.93Å; H642-I645 VanDerWaalsContact O-N 3.12Å; I645-I647 HydrophobicContact CG2-CD1 3.94Å; I645-I647 HydrophobicContact CG2-CG1 4.13Å; I645-V665 HydrophobicContact CG2-CG1 3.48Å; I645-V665 VanDerWaalsContact CG2-CG1 3.48Å; I645-N667 HydrophobicContact CD1-CB 3.85Å
646	I	97.8	Very high	94.5	Very high	63 Å²	63	72.8 Å²	72.8	32%	0.323	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	132	171.7	-59.2	164.4	0	0	0	107.6	A639 V640 V665 T666	A639-I646 HydrophobicContact CB-CG2 4.26Å; V640-I646 WeakPolarHBondContact O-CA 3.18Å; I646-V665 CarbonylContact O-C 3.56Å; I646-V665 WeakPolarHBondContact O-CA 3.45Å; I646-T666 PolarHBondContact N-O 3.12Å; I646-T666 PolarHBondContact O-N 3.38Å
647	I	98.1	Very high	94.6	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.1	178.2	-54.1	96.8	0	0	0	107.9	W605 A639 V640 I645 L663 V665	W605-I647 HydrophobicContact CD2-CD1 3.89Å; W605-I647 HydrophobicContact CD2-CG1 3.83Å; W605-I647 HydrophobicContact CE3-CG1 4.19Å; W605-I647 HydrophobicContact CG-CD1 3.87Å; W605-I647 HydrophobicContact CG-CG1 4.34Å; W605-I647 HydrophobicContact CH2-CG1 4.21Å; W605-I647 HydrophobicContact CH2-CG2 4.14Å; W605-I647 HydrophobicContact CZ2-CB 4.47Å; W605-I647 HydrophobicContact CZ2-CD1 4.42Å; W605-I647 HydrophobicContact CZ2-CG1 3.84Å; W605-I647 HydrophobicContact CZ2-CG2 3.95Å; W605-I647 HydrophobicContact CZ3-CG1 4.37Å; A639-I647 CarbonylContact C-O 3.53Å; A639-I647 WeakPolarHBondContact CA-O 3.32Å; V640-I647 HydrophobicContact CG1-CB 4.26Å; V640-I647 HydrophobicContact CG1-CD1 4.38Å; V640-I647 PolarHBondContact N-O 2.99Å; V640-I647 PolarHBondContact O-N 3.35Å; I645-I647 HydrophobicContact CG2-CD1 3.94Å; I645-I647 HydrophobicContact CG2-CG1 4.13Å; I647-L663 HydrophobicContact CG2-CB 3.98Å; I647-L663 HydrophobicContact CG2-CD1 4.27Å; I647-L663 HydrophobicContact CG2-CD2 4.29Å; I647-L663 HydrophobicContact CG2-CG 4.41Å; I647-V665 HydrophobicContact CG1-CG1 4.49Å; I647-V665 HydrophobicContact CG1-CG2 4.37Å; I647-V665 HydrophobicContact CG2-CG2 4.36Å
648	E	97.9	Very high	95.1	Very high	65 Å²	65	64 Å²	64	30%	0.304	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.6	178.7	-174.9	-172.2	176.9	0	0	110.1	G638 A639 K650 L663 L664	G638-E648 WeakPolarHBondContact O-CA 3.4Å; A639-E648 HydrophobicContact CB-CB 3.91Å; A639-E648 HydrophobicContact CB-CG 4.08Å; E648-K650 HydrophobicContact CG-CD 4.38Å; E648-K650 PolarHBondContact O-N 3.3Å; E648-K650 WeakPolarHBondContact OE1-CE 3.44Å; E648-K650 IonicContact OE1-NZ 3.81Å; E648-K650 PolarHBondContact OE1-NZ 2.98Å; E648-K650 WeakPolarHBondContact OE2-CE 3.19Å; E648-K650 IonicContact OE2-NZ 3.43Å; E648-K650 PolarHBondContact OE2-NZ 3.36Å; E648-L663 CarbonylContact O-C 3.56Å; E648-L663 WeakPolarHBondContact O-CA 3.34Å; E648-L664 HydrophobicContact CB-CB 4.4Å; E648-L664 PolarHBondContact N-O 3.26Å; E648-L664 PolarHBondContact O-N 3.13Å
649	L	97.6	Very high	95.4	Very high	33 Å²	33	62.7 Å²	62.7	17%	0.173	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	119.8	174.3	179.4	61.5	0	0	0	109.3	P635 G638 R651 R661 L663	P635-L649 HydrophobicContact CG-CB 4.13Å; G638-L649 PolarHBondContact O-N 3.21Å; L649-R651 WeakPolarHBondContact CD1-O 3.25Å; L649-R661 HydrophobicContact CD1-CB 3.94Å; L649-R661 HydrophobicContact CD1-CG 4.3Å; L649-L663 HydrophobicContact CB-CD2 4.38Å; L649-L663 HydrophobicContact CD1-CD2 3.76Å
650	K	96.6	Very high	95.6	Very high	108 Å²	108	60.2 Å²	60.2	47%	0.47	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-31.6	179.7	-68	-58.8	-168.7	-175.9	0	113.8	E648 D662 L664	E648-K650 HydrophobicContact CG-CD 4.38Å; E648-K650 PolarHBondContact O-N 3.3Å; E648-K650 WeakPolarHBondContact OE1-CE 3.44Å; E648-K650 IonicContact OE1-NZ 3.81Å; E648-K650 PolarHBondContact OE1-NZ 2.98Å; E648-K650 WeakPolarHBondContact OE2-CE 3.19Å; E648-K650 IonicContact OE2-NZ 3.43Å; E648-K650 PolarHBondContact OE2-NZ 3.36Å; K650-D662 HydrophobicContact CB-CB 4.5Å; K650-D662 WeakPolarHBondContact CB-O 3.42Å; K650-D662 PolarHBondContact N-O 3.32Å; K650-L664 HydrophobicContact CD-CB 4.45Å; K650-L664 VanDerWaalsContact CE-CD2 3.45Å; K650-L664 HydrophobicContact CG-CB 3.82Å
651	R	95.3	Very high	95.7	Very high	132 Å²	132	59 Å²	59	50%	0.498	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	145	-179.9	-163.5	171.3	176.3	-123	-13	110.2	L649 E653 R661 D662	L649-R651 WeakPolarHBondContact CD1-O 3.25Å; R651-E653 HydrophobicContact CG-CG 4.37Å; R651-E653 IonicContact CZ-OE1 3.12Å; R651-E653 IonicContact CZ-OE2 3.93Å; R651-E653 IonicContact NH1-OE1 2.98Å; R651-E653 PolarHBondContact NH1-OE1 3.42Å; R651-E653 IonicContact NH1-OE2 2.65Å; R651-E653 PolarHBondContact NH1-OE2 2.8Å; R651-E653 IonicContact NH2-OE1 2.68Å; R651-E653 IonicContact NH2-OE2 3.21Å; R651-E653 PolarHBondContact NH2-OE2 3.14Å; R651-R661 WeakPolarHBondContact O-CA 3.28Å; R651-D662 HydrophobicContact CB-CB 4.06Å; R651-D662 PolarHBondContact O-N 2.74Å
652	E	96.6	Very high	95.8	Very high	106 Å²	106	56.4 Å²	56.4	50%	0.495	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	138.8	167.8	-171	166.4	60.5	0	0	108.7	T659 V660 R661	E652-T659 HydrophobicContact CG-CG2 3.41Å; E652-T659 VanDerWaalsContact CG-CG2 3.41Å; E652-V660 CarbonylContact C-O 3.6Å; E652-V660 WeakPolarHBondContact CA-O 3.5Å; E652-R661 HydrophobicContact CG-CG 4.27Å; E652-R661 IonicContact OE2-CZ 3.65Å; E652-R661 IonicContact OE2-NE 2.84Å; E652-R661 PolarHBondContact OE2-NE 2.75Å; E652-R661 IonicContact OE2-NH2 2.72Å; E652-R661 PolarHBondContact OE2-NH2 3.25Å
653	E	96.1	Very high	96	Very high	64 Å²	64	54.5 Å²	54.5	30%	0.299	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	107.9	177.1	-61.7	-178.1	-99.1	0	0	109.8	R651 N655 V660	R651-E653 HydrophobicContact CG-CG 4.37Å; R651-E653 IonicContact CZ-OE1 3.12Å; R651-E653 IonicContact CZ-OE2 3.93Å; R651-E653 IonicContact NH1-OE1 2.98Å; R651-E653 PolarHBondContact NH1-OE1 3.42Å; R651-E653 IonicContact NH1-OE2 2.65Å; R651-E653 PolarHBondContact NH1-OE2 2.8Å; R651-E653 IonicContact NH2-OE1 2.68Å; R651-E653 IonicContact NH2-OE2 3.21Å; R651-E653 PolarHBondContact NH2-OE2 3.14Å; E653-N655 PolarHBondContact O-ND2 3.01Å; E653-V660 HydrophobicContact CB-CB 4.29Å; E653-V660 PolarHBondContact N-O 2.87Å; E653-V660 PolarHBondContact O-N 3Å
654	E	94.9	Very high	96.3	Very high	170 Å²	170	54.3 Å²	54.3	79%	0.794	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	133.2	173.7	-167.5	173.3	-163.9	0	0	110.7
655	N	93.3	Very high	96.5	Very high	63 Å²	63	52.7 Å²	52.7	34%	0.337	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	161.1	176.2	-60.4	-117.4	0	0	0	108.8	E653 S657 Y658	E653-N655 PolarHBondContact O-ND2 3.01Å; N655-S657 PolarHBondContact O-N 3.13Å; N655-Y658 WeakPolarHBondContact CA-O 3.24Å; N655-Y658 HydrophobicContact CB-CD2 4.03Å; N655-Y658 HydrophobicContact CB-CE1 4.29Å; N655-Y658 HydrophobicContact CB-CE2 3.76Å; N655-Y658 HydrophobicContact CB-CG 4.38Å; N655-Y658 VanDerWaalsContact CB-O 3.25Å; N655-Y658 WeakPolarHBondContact CB-O 3.32Å; N655-Y658 PolarHBondContact N-O 3.04Å; N655-Y658 PolarHBondContact O-N 2.93Å; N655-Y658 VanDerWaalsContact O-N 3.1Å
656	E	91	Very high	96.5	Very high	145 Å²	145	54.4 Å²	54.4	68%	0.678	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.6	-25.5	-173.4	-170	-176.6	179.5	0	0	116.7	K694	E656-K694 IonicContact OE1-NZ 2.88Å; E656-K694 PolarHBondContact OE1-NZ 3.32Å; E656-K694 VanDerWaalsContact OE2-CE 3.27Å; E656-K694 WeakPolarHBondContact OE2-CE 3.48Å; E656-K694 IonicContact OE2-NZ 2.69Å; E656-K694 PolarHBondContact OE2-NZ 3.38Å
657	S	93	Very high	96.5	Very high	24 Å²	24	52.1 Å²	52.1	17%	0.168	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140	5.3	177.4	-44.6	0	0	0	0	114.5	N655 F681 H682 G683	N655-S657 PolarHBondContact O-N 3.13Å; S657-F681 VanDerWaalsContact O-CD2 3.26Å; S657-F681 WeakPolarHBondContact O-CD2 3.3Å; S657-H682 PolarHBondContact O-N 3.05Å; S657-G683 PolarHBondContact O-N 2.92Å
658	Y	97.2	Very high	96.3	Very high	26 Å²	26	54.7 Å²	54.7	10%	0.102	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	148.4	-178.2	60.2	-95	0	0	0	113.3	N655 V660 H680 N698 I699	N655-Y658 WeakPolarHBondContact CA-O 3.24Å; N655-Y658 HydrophobicContact CB-CD2 4.03Å; N655-Y658 HydrophobicContact CB-CE1 4.29Å; N655-Y658 HydrophobicContact CB-CE2 3.76Å; N655-Y658 HydrophobicContact CB-CG 4.38Å; N655-Y658 VanDerWaalsContact CB-O 3.25Å; N655-Y658 WeakPolarHBondContact CB-O 3.32Å; N655-Y658 PolarHBondContact N-O 3.04Å; N655-Y658 PolarHBondContact O-N 2.93Å; N655-Y658 VanDerWaalsContact O-N 3.1Å; Y658-V660 HydrophobicContact CD2-CG2 3.71Å; Y658-V660 HydrophobicContact CE2-CG2 3.56Å; Y658-H680 CarbonylContact C-O 3.55Å; Y658-H680 WeakPolarHBondContact CA-O 3.21Å; Y658-H680 WeakPolarHBondContact CB-O 3.45Å; Y658-N698 HydrophobicContact CE1-CB 4.04Å; Y658-I699 HydrophobicContact CD1-CB 3.75Å; Y658-I699 HydrophobicContact CD1-CG1 4.26Å; Y658-I699 HydrophobicContact CE1-CB 4Å; Y658-I699 HydrophobicContact CG-CB 4.29Å; Y658-I699 HydrophobicContact CG-CD1 4.34Å; Y658-I699 HydrophobicContact CG-CG1 4.31Å
659	T	98	Very high	95.9	Very high	8 Å²	8	59.7 Å²	59.7	5%	0.049	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	138.1	169	-61.4	0	0	0	0	110.5	E652 R661 H680 H682	E652-T659 HydrophobicContact CG-CG2 3.41Å; E652-T659 VanDerWaalsContact CG-CG2 3.41Å; T659-R661 HydrophobicContact CG2-CG 4.35Å; T659-H680 PolarHBondContact N-O 3.39Å; T659-H680 PolarHBondContact O-N 3.39Å; T659-H682 WeakPolarHBondContact CB-NE2 3.38Å; T659-H682 PolarHBondContact N-NE2 3.05Å; T659-H682 PolarHBondContact OG1-NE2 3.39Å
660	V	98.1	Very high	95.6	Very high	10 Å²	10	61.7 Å²	61.7	6%	0.061	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	130.8	172.3	-174.3	0	0	0	0	109.3	E652 E653 Y658 R677 Q678 F679	E652-V660 CarbonylContact C-O 3.6Å; E652-V660 WeakPolarHBondContact CA-O 3.5Å; E653-V660 HydrophobicContact CB-CB 4.29Å; E653-V660 PolarHBondContact N-O 2.87Å; E653-V660 PolarHBondContact O-N 3Å; Y658-V660 HydrophobicContact CD2-CG2 3.71Å; Y658-V660 HydrophobicContact CE2-CG2 3.56Å; V660-R677 HydrophobicContact CG1-CG 3.5Å; V660-R677 VanDerWaalsContact CG1-CG 3.5Å; V660-Q678 CarbonylContact C-O 3.53Å; V660-Q678 VanDerWaalsContact CA-O 3.3Å; V660-Q678 WeakPolarHBondContact CA-O 3.36Å; V660-F679 HydrophobicContact CG1-CD1 4.42Å; V660-F679 HydrophobicContact CG1-CE1 4.32Å; V660-F679 HydrophobicContact CG2-CD1 3.91Å; V660-F679 HydrophobicContact CG2-CE1 4.2Å
661	R	98.1	Very high	95.4	Very high	21 Å²	21	63.4 Å²	63.4	8%	0.079	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.6	173.4	-55.3	-172.1	175.8	85.5	15	111	L649 R651 E652 T659 L663 R677 Q678 H680	L649-R661 HydrophobicContact CD1-CB 3.94Å; L649-R661 HydrophobicContact CD1-CG 4.3Å; R651-R661 WeakPolarHBondContact O-CA 3.28Å; E652-R661 HydrophobicContact CG-CG 4.27Å; E652-R661 IonicContact OE2-CZ 3.65Å; E652-R661 IonicContact OE2-NE 2.84Å; E652-R661 PolarHBondContact OE2-NE 2.75Å; E652-R661 IonicContact OE2-NH2 2.72Å; E652-R661 PolarHBondContact OE2-NH2 3.25Å; T659-R661 HydrophobicContact CG2-CG 4.35Å; R661-L663 HydrophobicContact CB-CD2 4.12Å; R661-L663 HydrophobicContact CB-CG 4.28Å; R661-R677 CarbonylContact O-C 3.58Å; R661-R677 WeakPolarHBondContact O-CA 3.43Å; R661-Q678 HydrophobicContact CB-CB 4.15Å; R661-Q678 VanDerWaalsContact CD-OE1 3.3Å; R661-Q678 PolarHBondContact N-O 3.29Å; R661-Q678 PolarHBondContact O-N 3.07Å; R661-H680 PolarHBondContact NH1-ND1 3.03Å
662	D	97.1	Very high	95.5	Very high	17 Å²	17	62.5 Å²	62.5	9%	0.091	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	109.4	169.6	-82.6	-10.5	0	0	0	109.1	K650 R651 L675 R677	K650-D662 HydrophobicContact CB-CB 4.5Å; K650-D662 WeakPolarHBondContact CB-O 3.42Å; K650-D662 PolarHBondContact N-O 3.32Å; R651-D662 HydrophobicContact CB-CB 4.06Å; R651-D662 PolarHBondContact O-N 2.74Å; D662-L675 HydrophobicContact CB-CD1 3.98Å; D662-R677 VanDerWaalsContact CG-NH2 3.26Å; D662-R677 IonicContact OD1-CZ 2.73Å; D662-R677 IonicContact OD1-NE 3.18Å; D662-R677 PolarHBondContact OD1-NE 2.88Å; D662-R677 IonicContact OD1-NH2 3.87Å; D662-R677 PolarHBondContact OD1-NH2 3.28Å; D662-R677 IonicContact OD2-CZ 2.76Å; D662-R677 IonicContact OD2-NH2 2.63Å; D662-R677 PolarHBondContact OD2-NH2 3.41Å
663	L	98.1	Very high	95.4	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	121	-176.7	-55.8	176.4	0	0	0	109.5	W605 W634 I647 E648 L649 R661 V665 V676 Q678	W605-L663 HydrophobicContact CH2-CD1 3.8Å; W605-L663 HydrophobicContact CZ2-CD1 4.18Å; W634-L663 HydrophobicContact CB-CD1 4.18Å; W634-L663 HydrophobicContact CB-CD2 4.36Å; I647-L663 HydrophobicContact CG2-CB 3.98Å; I647-L663 HydrophobicContact CG2-CD1 4.27Å; I647-L663 HydrophobicContact CG2-CD2 4.29Å; I647-L663 HydrophobicContact CG2-CG 4.41Å; E648-L663 CarbonylContact O-C 3.56Å; E648-L663 WeakPolarHBondContact O-CA 3.34Å; L649-L663 HydrophobicContact CB-CD2 4.38Å; L649-L663 HydrophobicContact CD1-CD2 3.76Å; R661-L663 HydrophobicContact CB-CD2 4.12Å; R661-L663 HydrophobicContact CB-CG 4.28Å; L663-V665 HydrophobicContact CB-CG2 4.37Å; L663-V665 PolarHBondContact O-N 2.86Å; L663-V676 WeakPolarHBondContact CB-O 3.44Å; L663-V676 PolarHBondContact N-O 2.8Å; L663-V676 PolarHBondContact O-N 3.16Å; L663-Q678 HydrophobicContact CD1-CB 4.28Å
664	L	97.7	Very high	95.4	Very high	46 Å²	46	59.8 Å²	59.8	24%	0.241	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	105.4	170.5	-174.8	65.9	0	0	0	108.7	E648 K650 A673	E648-L664 HydrophobicContact CB-CB 4.4Å; E648-L664 PolarHBondContact N-O 3.26Å; E648-L664 PolarHBondContact O-N 3.13Å; K650-L664 HydrophobicContact CD-CB 4.45Å; K650-L664 VanDerWaalsContact CE-CD2 3.45Å; K650-L664 HydrophobicContact CG-CB 3.82Å; L664-A673 HydrophobicContact CD1-CB 3.79Å; L664-A673 HydrophobicContact CG-CB 4.27Å
665	V	97.8	Very high	95.5	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	116.2	-177.5	-177	0	0	0	0	108.8	W605 W609 I645 I646 I647 L663 A673 R674 V676	W605-V665 HydrophobicContact CE3-CG1 4.26Å; W605-V665 HydrophobicContact CE3-CG2 4.27Å; W605-V665 HydrophobicContact CH2-CG2 4.04Å; W605-V665 HydrophobicContact CZ3-CG1 4.35Å; W605-V665 HydrophobicContact CZ3-CG2 3.57Å; W609-V665 HydrophobicContact CE3-CG1 4.01Å; W609-V665 HydrophobicContact CZ3-CG1 4.4Å; W609-V665 WeakPolarHBondContact CZ3-O 3.15Å; I645-V665 HydrophobicContact CG2-CG1 3.48Å; I645-V665 VanDerWaalsContact CG2-CG1 3.48Å; I646-V665 CarbonylContact O-C 3.56Å; I646-V665 WeakPolarHBondContact O-CA 3.45Å; I647-V665 HydrophobicContact CG1-CG1 4.49Å; I647-V665 HydrophobicContact CG1-CG2 4.37Å; I647-V665 HydrophobicContact CG2-CG2 4.36Å; L663-V665 HydrophobicContact CB-CG2 4.37Å; L663-V665 PolarHBondContact O-N 2.86Å; V665-A673 CarbonylContact O-C 3.59Å; V665-A673 VanDerWaalsContact O-CA 3.27Å; V665-A673 WeakPolarHBondContact O-CA 3.32Å; V665-R674 PolarHBondContact N-O 3.31Å; V665-R674 PolarHBondContact O-N 2.95Å; V665-V676 HydrophobicContact CB-CG2 4.12Å; V665-V676 HydrophobicContact CG2-CB 3.87Å; V665-V676 HydrophobicContact CG2-CG2 3.63Å
666	T	97.4	Very high	95.6	Very high	41 Å²	41	52.8 Å²	52.8	25%	0.252	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.5	-176.3	-56.8	0	0	0	0	110.9	I646 K672 A673	I646-T666 PolarHBondContact N-O 3.12Å; I646-T666 PolarHBondContact O-N 3.38Å; T666-K672 WeakPolarHBondContact CA-O 3.28Å; T666-A673 HydrophobicContact CG2-CB 4.39Å; T666-A673 WeakPolarHBondContact OG1-CB 3.32Å
667	N	96.1	Very high	96	Very high	15 Å²	15	48.1 Å²	48.1	8%	0.08	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	114.4	172.4	-179	-41.1	0	0	0	109.6	W609 D644 I645 R669 E670 N671 K672	W609-N667 HydrophobicContact CD2-CB 3.87Å; W609-N667 VanDerWaalsContact CE2-CB 3.42Å; W609-N667 HydrophobicContact CE3-CB 4.22Å; W609-N667 HydrophobicContact CH2-CB 3.79Å; W609-N667 HydrophobicContact CZ2-CB 3.4Å; W609-N667 HydrophobicContact CZ3-CB 4.18Å; W609-N667 PolarHBondContact NE1-ND2 3.34Å; D644-N667 WeakPolarHBondContact O-CA 3.23Å; I645-N667 HydrophobicContact CD1-CB 3.85Å; N667-R669 VanDerWaalsContact C-N 3.34Å; N667-R669 PolarHBondContact O-N 3.03Å; N667-R669 WeakPolarHBondContact OD1-CB 3.44Å; N667-R669 PolarHBondContact OD1-N 3.33Å; N667-E670 HydrophobicContact CB-CB 4.24Å; N667-E670 PolarHBondContact O-N 3.37Å; N667-E670 PolarHBondContact OD1-N 3.12Å; N667-N671 PolarHBondContact O-N 3.11Å; N667-K672 PolarHBondContact N-O 3.47Å; N667-K672 PolarHBondContact O-N 3.08Å
668	S	93.6	Very high	96.2	Very high	54 Å²	54	47 Å²	47	38%	0.378	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-25	-175.6	64	0	0	0	0	113.9	D644	D644-S668 PolarHBondContact O-N 3.19Å; D644-S668 PolarHBondContact O-OG 3.13Å; D644-S668 VanDerWaalsContact O-OG 3.14Å
669	R	90.6	Very high	96.3	Very high	170 Å²	170	46 Å²	46	64%	0.642	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-33.9	173.9	-66.2	-172.5	-174.3	163.3	17.2	112.6	D644 N667	D644-R669 HydrophobicContact CB-CG 4.13Å; D644-R669 IonicContact OD1-CZ 4Å; D644-R669 IonicContact OD1-NE 3.36Å; D644-R669 PolarHBondContact OD1-NE 3Å; D644-R669 IonicContact OD1-NH2 2.65Å; D644-R669 PolarHBondContact OD1-NH2 2.99Å; D644-R669 IonicContact OD2-CZ 3.39Å; D644-R669 IonicContact OD2-NE 3.84Å; D644-R669 PolarHBondContact OD2-NE 3.21Å; D644-R669 VanDerWaalsContact OD2-NE 3.08Å; D644-R669 IonicContact OD2-NH1 3.22Å; D644-R669 PolarHBondContact OD2-NH1 3.29Å; D644-R669 IonicContact OD2-NH2 2.64Å; D644-R669 PolarHBondContact OD2-NH2 2.95Å; N667-R669 VanDerWaalsContact C-N 3.34Å; N667-R669 PolarHBondContact O-N 3.03Å; N667-R669 WeakPolarHBondContact OD1-CB 3.44Å; N667-R669 PolarHBondContact OD1-N 3.33Å
670	E	92.1	Very high	96.3	Very high	74 Å²	74	45.9 Å²	45.9	35%	0.346	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-17.5	178	-76.9	-164.7	-117.4	0	0	114	W609 N667 K672	W609-E670 HydrophobicContact CZ2-CB 4.46Å; W609-E670 PolarHBondContact NE1-OE1 3.49Å; N667-E670 HydrophobicContact CB-CB 4.24Å; N667-E670 PolarHBondContact O-N 3.37Å; N667-E670 PolarHBondContact OD1-N 3.12Å; E670-K672 VanDerWaalsContact C-N 3.26Å; E670-K672 HydrophobicContact CB-CB 4.33Å; E670-K672 HydrophobicContact CB-CD 4.23Å; E670-K672 HydrophobicContact CB-CG 4.25Å; E670-K672 PolarHBondContact O-N 2.95Å; E670-K672 WeakPolarHBondContact OE2-CD 3.36Å; E670-K672 WeakPolarHBondContact OE2-CE 3.27Å; E670-K672 IonicContact OE2-NZ 3.17Å; E670-K672 PolarHBondContact OE2-NZ 3.3Å
671	N	91.8	Very high	96.3	Very high	144 Å²	144	45.6 Å²	45.6	77%	0.77	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	46.2	-167.9	-69.7	-67.2	0	0	0	112.4	N667	N667-N671 PolarHBondContact O-N 3.11Å
672	K	96.2	Very high	96.3	Very high	114 Å²	114	47.9 Å²	47.9	50%	0.496	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	142.7	177.1	-66.6	174.1	-158.3	158.1	0	110	W609 T666 N667 E670	W609-K672 HydrophobicContact CH2-CB 3.87Å; W609-K672 VanDerWaalsContact CH2-O 3.26Å; W609-K672 WeakPolarHBondContact CH2-O 3.4Å; W609-K672 HydrophobicContact CZ2-CB 4.08Å; T666-K672 WeakPolarHBondContact CA-O 3.28Å; N667-K672 PolarHBondContact N-O 3.47Å; N667-K672 PolarHBondContact O-N 3.08Å; E670-K672 VanDerWaalsContact C-N 3.26Å; E670-K672 HydrophobicContact CB-CB 4.33Å; E670-K672 HydrophobicContact CB-CD 4.23Å; E670-K672 HydrophobicContact CB-CG 4.25Å; E670-K672 PolarHBondContact O-N 2.95Å; E670-K672 WeakPolarHBondContact OE2-CD 3.36Å; E670-K672 WeakPolarHBondContact OE2-CE 3.27Å; E670-K672 IonicContact OE2-NZ 3.17Å; E670-K672 PolarHBondContact OE2-NZ 3.3Å
673	A	96.2	Very high	96.1	Very high	55 Å²	55	48.5 Å²	48.5	46%	0.455	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	154.5	169.8	0	0	0	0	0	110.9	L664 V665 T666	L664-A673 HydrophobicContact CD1-CB 3.79Å; L664-A673 HydrophobicContact CG-CB 4.27Å; V665-A673 CarbonylContact O-C 3.59Å; V665-A673 VanDerWaalsContact O-CA 3.27Å; V665-A673 WeakPolarHBondContact O-CA 3.32Å; T666-A673 HydrophobicContact CG2-CB 4.39Å; T666-A673 WeakPolarHBondContact OG1-CB 3.32Å
674	R	95.6	Very high	96	Very high	57 Å²	57	49.2 Å²	49.2	22%	0.215	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	143	173.3	-59.2	-179.7	-157.1	160.3	7.5	108.9	W609 V665	W609-R674 HydrophobicContact CH2-CG 3.84Å; W609-R674 VanDerWaalsContact CH2-NE 3.34Å; W609-R674 HydrophobicContact CZ3-CB 4.13Å; W609-R674 HydrophobicContact CZ3-CG 3.63Å; W609-R674 PolarHBondContact O-NH1 3.46Å; W609-R674 PolarHBondContact O-NH2 3.32Å; V665-R674 PolarHBondContact N-O 3.31Å; V665-R674 PolarHBondContact O-N 2.95Å
675	L	95.8	Very high	95.7	Very high	84 Å²	84	49.5 Å²	49.5	44%	0.44	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	125.7	168.6	-174.7	64.8	0	0	0	108.9	D662	D662-L675 HydrophobicContact CB-CD1 3.98Å
676	V	97.3	Very high	95.2	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127.3	174.9	-178.5	0	0	0	0	107.8	I608 I616 L663 V665	I608-V676 HydrophobicContact CG2-CG1 4.35Å; I608-V676 HydrophobicContact CG2-CG2 4.43Å; I616-V676 HydrophobicContact CD1-CG1 3.67Å; I616-V676 HydrophobicContact CG1-CG1 3.79Å; L663-V676 WeakPolarHBondContact CB-O 3.44Å; L663-V676 PolarHBondContact N-O 2.8Å; L663-V676 PolarHBondContact O-N 3.16Å; V665-V676 HydrophobicContact CB-CG2 4.12Å; V665-V676 HydrophobicContact CG2-CB 3.87Å; V665-V676 HydrophobicContact CG2-CG2 3.63Å
677	R	97.9	Very high	94.6	Very high	47 Å²	47	57.1 Å²	57.1	18%	0.177	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	118.6	-177.5	-175.2	164.4	-79.5	163.6	-11.9	110.2	C614 S615 I616 V660 R661 D662 F679 Q706	C614-R677 PolarHBondContact O-N 3.48Å; S615-R677 WeakPolarHBondContact CA-O 3.27Å; I616-R677 PolarHBondContact N-O 3.44Å; V660-R677 HydrophobicContact CG1-CG 3.5Å; V660-R677 VanDerWaalsContact CG1-CG 3.5Å; R661-R677 CarbonylContact O-C 3.58Å; R661-R677 WeakPolarHBondContact O-CA 3.43Å; D662-R677 VanDerWaalsContact CG-NH2 3.26Å; D662-R677 IonicContact OD1-CZ 2.73Å; D662-R677 IonicContact OD1-NE 3.18Å; D662-R677 PolarHBondContact OD1-NE 2.88Å; D662-R677 IonicContact OD1-NH2 3.87Å; D662-R677 PolarHBondContact OD1-NH2 3.28Å; D662-R677 IonicContact OD2-CZ 2.76Å; D662-R677 IonicContact OD2-NH2 2.63Å; D662-R677 PolarHBondContact OD2-NH2 3.41Å; R677-F679 HydrophobicContact CB-CE2 4.1Å; R677-F679 HydrophobicContact CB-CZ 4.44Å; R677-F679 VanDerWaalsContact CD-CZ 3.44Å; R677-F679 HydrophobicContact CG-CD2 4.23Å; R677-F679 HydrophobicContact CG-CE1 4.24Å; R677-F679 HydrophobicContact CG-CE2 3.63Å; R677-F679 HydrophobicContact CG-CZ 3.64Å; R677-Q706 HydrophobicContact CB-CG 4.35Å
678	Q	98.5	Very high	94.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	138.4	170	-165.9	-158.9	40.4	0	0	109.4	I616 Y633 V660 R661 L663	I616-Q678 HydrophobicContact CB-CG 4.3Å; I616-Q678 HydrophobicContact CG2-CG 4.46Å; I616-Q678 CarbonylContact O-C 3.51Å; I616-Q678 WeakPolarHBondContact O-CA 3.05Å; Y633-Q678 PolarHBondContact OH-NE2 2.85Å; V660-Q678 CarbonylContact C-O 3.53Å; V660-Q678 VanDerWaalsContact CA-O 3.3Å; V660-Q678 WeakPolarHBondContact CA-O 3.36Å; R661-Q678 HydrophobicContact CB-CB 4.15Å; R661-Q678 VanDerWaalsContact CD-OE1 3.3Å; R661-Q678 PolarHBondContact N-O 3.29Å; R661-Q678 PolarHBondContact O-N 3.07Å; L663-Q678 HydrophobicContact CD1-CB 4.28Å
679	F	98.6	Very high	94.5	Very high	5 Å²	5	57.2 Å²	57.2	2%	0.022	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	108.8	170.2	-57.2	-97.9	0	0	0	107.6	I616 V617 M618 V660 R677 I699 A702 V703 Q706	I616-F679 PolarHBondContact O-N 3.33Å; V617-F679 WeakPolarHBondContact CA-O 3.43Å; M618-F679 PolarHBondContact N-O 3.05Å; V660-F679 HydrophobicContact CG1-CD1 4.42Å; V660-F679 HydrophobicContact CG1-CE1 4.32Å; V660-F679 HydrophobicContact CG2-CD1 3.91Å; V660-F679 HydrophobicContact CG2-CE1 4.2Å; R677-F679 HydrophobicContact CB-CE2 4.1Å; R677-F679 HydrophobicContact CB-CZ 4.44Å; R677-F679 VanDerWaalsContact CD-CZ 3.44Å; R677-F679 HydrophobicContact CG-CD2 4.23Å; R677-F679 HydrophobicContact CG-CE1 4.24Å; R677-F679 HydrophobicContact CG-CE2 3.63Å; R677-F679 HydrophobicContact CG-CZ 3.64Å; F679-I699 HydrophobicContact CB-CD1 3.81Å; F679-I699 HydrophobicContact CB-CG1 4.04Å; F679-A702 HydrophobicContact CD1-CB 4.31Å; F679-A702 HydrophobicContact CE1-CB 3.85Å; F679-V703 HydrophobicContact CB-CG2 4.38Å; F679-V703 HydrophobicContact CD1-CG2 4.16Å; F679-V703 HydrophobicContact CD2-CG2 3.64Å; F679-V703 HydrophobicContact CE1-CG2 4.32Å; F679-V703 HydrophobicContact CE2-CG2 3.81Å; F679-V703 HydrophobicContact CG-CG2 3.82Å; F679-V703 HydrophobicContact CZ-CG2 4.15Å; F679-Q706 HydrophobicContact CE2-CB 4.27Å; F679-Q706 HydrophobicContact CE2-CG 4.26Å; F679-Q706 HydrophobicContact CZ-CB 3.85Å; F679-Q706 HydrophobicContact CZ-CG 4.22Å
680	H	98.6	Very high	94.6	Very high	6 Å²	6	49.6 Å²	49.6	3%	0.028	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	108.6	-177.4	-174.4	-164.2	0	0	0	109.7	M618 T620 E621 Y658 T659 R661 H682	M618-H680 HydrophobicContact CB-CB 4.48Å; T620-H680 PolarHBondContact O-NE2 2.96Å; T620-H680 VanDerWaalsContact O-NE2 3.16Å; E621-H680 IonicContact OE1-CE1 3.68Å; E621-H680 IonicContact OE1-NE2 2.73Å; E621-H680 IonicContact OE2-CE1 2.74Å; E621-H680 PolarHBondContact OE2-CE1 3.19Å; E621-H680 IonicContact OE2-NE2 3.83Å; E621-H680 PolarHBondContact OE2-NE2 2.82Å; Y658-H680 CarbonylContact C-O 3.55Å; Y658-H680 WeakPolarHBondContact CA-O 3.21Å; Y658-H680 WeakPolarHBondContact CB-O 3.45Å; T659-H680 PolarHBondContact N-O 3.39Å; T659-H680 PolarHBondContact O-N 3.39Å; R661-H680 PolarHBondContact NH1-ND1 3.03Å; H680-H682 AromaticContact CE1-CE1 3.46Å; H680-H682 PolarHBondContact CE1-CE1 3.24Å; H680-H682 VanDerWaalsContact CE1-CE1 3.46Å; H680-H682 AromaticContact CE1-ND1 3.93Å; H680-H682 AromaticContact CG-CE1 3.68Å; H680-H682 AromaticContact ND1-CE1 3.25Å; H680-H682 PolarHBondContact ND1-CE1 3.38Å; H680-H682 VanDerWaalsContact ND1-CE1 3.25Å; H680-H682 AromaticContact ND1-NE2 3.98Å; H680-H682 AromaticContact NE2-CE1 3.99Å
681	F	98.3	Very high	94.5	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.018	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	110.6	-173.9	-174	-109.1	0	0	0	112.4	M618 L619 S657 W684 G695 M696 I699	M618-F681 PolarHBondContact O-N 2.95Å; L619-F681 HydrophobicContact CD2-CB 3.89Å; L619-F681 HydrophobicContact CD2-CD1 4.31Å; L619-F681 HydrophobicContact CD2-CG 4.3Å; S657-F681 VanDerWaalsContact O-CD2 3.26Å; S657-F681 WeakPolarHBondContact O-CD2 3.3Å; F681-W684 HydrophobicContact CD1-CB 4.05Å; F681-W684 HydrophobicContact CE1-CB 3.95Å; F681-W684 HydrophobicContact CE1-CE3 4.43Å; F681-G695 WeakPolarHBondContact CE2-O 3.44Å; F681-M696 HydrophobicContact CD1-CE 4.08Å; F681-M696 HydrophobicContact CE1-CE 3.68Å; F681-M696 HydrophobicContact CZ-CE 3.98Å; F681-I699 HydrophobicContact CB-CD1 3.75Å; F681-I699 HydrophobicContact CD2-CB 4.37Å; F681-I699 HydrophobicContact CD2-CD1 4.1Å; F681-I699 HydrophobicContact CD2-CG2 3.94Å; F681-I699 HydrophobicContact CE2-CG2 4.26Å; F681-I699 HydrophobicContact CG-CD1 4.31Å
682	H	96.9	Very high	94.6	Very high	69 Å²	69	47.2 Å²	47.2	32%	0.319	27%	0.271	S	S	.	.			trans	-87.8	-17.4	179.8	-55.6	-58.1	0	0	0	112.8	E621 S657 T659 H680 W684	E621-H682 IonicContact OE1-CE1 3.1Å; E621-H682 IonicContact OE1-CG 2.66Å; E621-H682 IonicContact OE1-ND1 2.61Å; E621-H682 PolarHBondContact OE1-ND1 2.87Å; E621-H682 IonicContact OE2-ND1 2.72Å; S657-H682 PolarHBondContact O-N 3.05Å; T659-H682 WeakPolarHBondContact CB-NE2 3.38Å; T659-H682 PolarHBondContact N-NE2 3.05Å; T659-H682 PolarHBondContact OG1-NE2 3.39Å; H680-H682 AromaticContact CE1-CE1 3.46Å; H680-H682 PolarHBondContact CE1-CE1 3.24Å; H680-H682 VanDerWaalsContact CE1-CE1 3.46Å; H680-H682 AromaticContact CE1-ND1 3.93Å; H680-H682 AromaticContact CG-CE1 3.68Å; H680-H682 AromaticContact ND1-CE1 3.25Å; H680-H682 PolarHBondContact ND1-CE1 3.38Å; H680-H682 VanDerWaalsContact ND1-CE1 3.25Å; H680-H682 AromaticContact ND1-NE2 3.98Å; H680-H682 AromaticContact NE2-CE1 3.99Å; H682-W684 PolarHBondContact O-N 3.2Å
683	G	93.7	Very high	94.4	Very high	29 Å²	29	41.8 Å²	41.8	30%	0.299	25%	0.248	S	C	.	.			trans	-71.7	9.8	-175.8	0	0	0	0	0	116.2	S657 P690	S657-G683 PolarHBondContact O-N 2.92Å; G683-P690 WeakPolarHBondContact O-CB 3.45Å; G683-P690 WeakPolarHBondContact O-CG 3.39Å
684	W	95.3	Very high	94.3	Very high	16 Å²	16	43.5 Å²	43.5	6%	0.061	25%	0.245	C	C	.	.	S	Bend	trans	-104.8	116	177.3	-153.6	-49.5	0	0	0	111.5	F681 H682 G688 I689 P690 M696 R725 T728 Q767	F681-W684 HydrophobicContact CD1-CB 4.05Å; F681-W684 HydrophobicContact CE1-CB 3.95Å; F681-W684 HydrophobicContact CE1-CE3 4.43Å; H682-W684 PolarHBondContact O-N 3.2Å; W684-G688 PolarHBondContact NE1-O 3.48Å; W684-I689 HydrophobicContact CZ2-CG2 4.16Å; W684-P690 HydrophobicContact CD2-CG 4.18Å; W684-P690 HydrophobicContact CE3-CG 4.49Å; W684-P690 HydrophobicContact CG-CG 4.26Å; W684-M696 HydrophobicContact CE3-CE 3.98Å; W684-M696 HydrophobicContact CZ3-CE 3.93Å; W684-R725 HydrophobicContact CD2-CB 4.35Å; W684-R725 VanDerWaalsContact CD2-CD 3.42Å; W684-R725 HydrophobicContact CD2-CG 3.64Å; W684-R725 HydrophobicContact CE3-CB 3.89Å; W684-R725 HydrophobicContact CE3-CG 3.71Å; W684-R725 HydrophobicContact CG-CG 4.36Å; W684-R725 HydrophobicContact CH2-CB 3.95Å; W684-R725 HydrophobicContact CH2-CG 3.75Å; W684-R725 HydrophobicContact CZ2-CB 4.41Å; W684-R725 HydrophobicContact CZ2-CG 3.69Å; W684-R725 HydrophobicContact CZ3-CB 3.66Å; W684-R725 HydrophobicContact CZ3-CG 3.76Å; W684-T728 HydrophobicContact CH2-CG2 3.82Å; W684-T728 HydrophobicContact CZ3-CG2 4.23Å; W684-Q767 HydrophobicContact CH2-CG 4.37Å; W684-Q767 HydrophobicContact CZ2-CG 3.98Å
685	P	92.4	Very high	94.3	Very high	52 Å²	52	41 Å²	41	34%	0.338	24%	0.238	S	C	.	.			trans	-66.4	156.8	-179.5	27.3	-35.6	0	0	0	113.7	V687 I689 R725	P685-V687 VanDerWaalsContact CG-O 3.29Å; P685-V687 WeakPolarHBondContact CG-O 3.5Å; P685-V687 PolarHBondContact O-N 3.16Å; P685-V687 VanDerWaalsContact O-N 3.17Å; P685-I689 WeakPolarHBondContact CG-O 3.43Å; P685-R725 PolarHBondContact O-NH2 3.45Å; P685-R725 VanDerWaalsContact O-NH2 3.07Å
686	E	86.3	Confident	94.3	Very high	103 Å²	103	37.1 Å²	37.1	48%	0.481	22%	0.217	S	C	.	.	S	Bend	trans	-61.4	-20.5	172	-58.5	-166.2	128.7	0	0	113.2	E624 R625	E624-E686 WeakPolarHBondContact CA-OE1 3.33Å; E624-E686 HydrophobicContact CB-CG 4.24Å; R625-E686 HydrophobicContact CG-CB 3.93Å; R625-E686 HydrophobicContact CG-CG 4.38Å; R625-E686 WeakPolarHBondContact CG-OE2 3.44Å; R625-E686 VanDerWaalsContact CZ-O 3.28Å; R625-E686 PolarHBondContact N-OE1 3.18Å; R625-E686 PolarHBondContact NE-O 3.1Å; R625-E686 PolarHBondContact NH2-O 3.49Å
687	V	85.8	Confident	94.2	Very high	99 Å²	99	37.9 Å²	37.9	60%	0.6	22%	0.221	S	C	*	.	S	Bend	trans	-126.2	124.5	-179.2	-162	0	0	0	0	109.2	P685	P685-V687 VanDerWaalsContact CG-O 3.29Å; P685-V687 WeakPolarHBondContact CG-O 3.5Å; P685-V687 PolarHBondContact O-N 3.16Å; P685-V687 VanDerWaalsContact O-N 3.17Å
688	G	91.6	Very high	94.1	Very high	28 Å²	28	38.6 Å²	38.6	29%	0.289	23%	0.228	S	C	.	.	S	Bend	trans	72.3	-129.3	174	0	0	0	0	0	114.8	W684 E766	W684-G688 PolarHBondContact NE1-O 3.48Å; G688-E766 WeakPolarHBondContact CA-OE2 3.44Å
689	I	94.7	Very high	94	Very high	43 Å²	43	38.6 Å²	38.6	22%	0.221	23%	0.228	C	C	.	.			trans	-132.6	158.6	-169.1	54.3	170.6	0	0	0	111.2	W684 P685 E766 Q767 F770	W684-I689 HydrophobicContact CZ2-CG2 4.16Å; P685-I689 WeakPolarHBondContact CG-O 3.43Å; I689-E766 HydrophobicContact CD1-CB 4.31Å; I689-E766 HydrophobicContact CG1-CB 4.45Å; I689-E766 HydrophobicContact CG2-CB 3.81Å; I689-Q767 HydrophobicContact CG2-CG 4.3Å; I689-F770 HydrophobicContact CB-CB 4.28Å; I689-F770 HydrophobicContact CB-CD2 4.18Å; I689-F770 HydrophobicContact CB-CG 4.27Å; I689-F770 HydrophobicContact CD1-CB 3.99Å; I689-F770 HydrophobicContact CD1-CD2 4.15Å; I689-F770 HydrophobicContact CD1-CG 4.47Å; I689-F770 HydrophobicContact CG2-CB 4.1Å; I689-F770 HydrophobicContact CG2-CG 4.48Å
690	P	94.2	Very high	93.9	Very high	10 Å²	10	38.5 Å²	38.5	7%	0.065	23%	0.228	C	C	.	.			trans	-57.1	149	175.7	-22.9	33.2	0	0	0	113.2	G683 W684 D692 F770	G683-P690 WeakPolarHBondContact O-CB 3.45Å; G683-P690 WeakPolarHBondContact O-CG 3.39Å; W684-P690 HydrophobicContact CD2-CG 4.18Å; W684-P690 HydrophobicContact CE3-CG 4.49Å; W684-P690 HydrophobicContact CG-CG 4.26Å; P690-D692 VanDerWaalsContact C-N 3.26Å; P690-D692 WeakPolarHBondContact CB-O 3.49Å; P690-D692 PolarHBondContact O-N 3.05Å; P690-F770 HydrophobicContact CB-CE2 3.74Å; P690-F770 HydrophobicContact CB-CZ 3.63Å; P690-F770 HydrophobicContact CG-CE1 3.97Å; P690-F770 HydrophobicContact CG-CE2 3.95Å; P690-F770 HydrophobicContact CG-CZ 3.49Å; P690-F770 VanDerWaalsContact CG-CZ 3.49Å
691	A	89.1	Confident	93.7	Very high	92 Å²	92	40.7 Å²	40.7	76%	0.76	25%	0.247	S	C	*	.	S	Bend	trans	-69.3	-23.2	-178.1	0	0	0	0	0	113.4	K773	A691-K773 PolarHBondContact O-NZ 2.86Å
692	D	92.8	Very high	93.6	Very high	75 Å²	75	41.5 Å²	41.5	40%	0.401	25%	0.254	S	S	.	.			trans	-145.9	172.3	173.9	66.1	64.4	0	0	0	110.7	P690 K694 F770	P690-D692 VanDerWaalsContact C-N 3.26Å; P690-D692 WeakPolarHBondContact CB-O 3.49Å; P690-D692 PolarHBondContact O-N 3.05Å; D692-K694 WeakPolarHBondContact OD1-CB 3.23Å; D692-K694 PolarHBondContact OD1-N 3.35Å; D692-F770 WeakPolarHBondContact O-CE2 3.46Å; D692-F770 WeakPolarHBondContact O-CZ 3.29Å
693	G	93.6	Very high	93.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-92.7	-8.7	176.5	0	0	0	0	0	115.7	G695 M696 I697 E777	G693-G695 PolarHBondContact O-N 3.25Å; G693-M696 WeakPolarHBondContact O-CB 3.38Å; G693-M696 PolarHBondContact O-N 2.94Å; G693-I697 WeakPolarHBondContact O-CG1 3.36Å; G693-I697 PolarHBondContact O-N 2.85Å; G693-E777 VanDerWaalsContact CA-OE2 3.3Å; G693-E777 WeakPolarHBondContact CA-OE2 3.33Å; G693-E777 VanDerWaalsContact N-CD 3.32Å; G693-E777 PolarHBondContact N-OE1 3.47Å; G693-E777 PolarHBondContact N-OE2 3.36Å
694	K	93.9	Very high	93.5	Very high	92 Å²	92	39.6 Å²	39.6	40%	0.4	24%	0.238	S	C	.	.	H	α-helix	trans	-54.1	-49.6	-173.2	-178.4	-167.4	168.4	-167.5	0	111.6	E656 D692 M696 I697 N698	E656-K694 IonicContact OE1-NZ 2.88Å; E656-K694 PolarHBondContact OE1-NZ 3.32Å; E656-K694 VanDerWaalsContact OE2-CE 3.27Å; E656-K694 WeakPolarHBondContact OE2-CE 3.48Å; E656-K694 IonicContact OE2-NZ 2.69Å; E656-K694 PolarHBondContact OE2-NZ 3.38Å; D692-K694 WeakPolarHBondContact OD1-CB 3.23Å; D692-K694 PolarHBondContact OD1-N 3.35Å; K694-M696 VanDerWaalsContact C-N 3.31Å; K694-M696 PolarHBondContact O-N 3.35Å; K694-I697 PolarHBondContact O-N 2.95Å; K694-N698 WeakPolarHBondContact O-CB 3.44Å; K694-N698 VanDerWaalsContact O-CG 3.23Å; K694-N698 PolarHBondContact O-N 3.07Å; K694-N698 PolarHBondContact O-ND2 3.42Å
695	G	94.4	Very high	93.4	Very high	5 Å²	5	45.3 Å²	45.3	5%	0.052	26%	0.263	C	S	.	.	H	α-helix	trans	-60.5	-39	178.3	0	0	0	0	0	113	F681 G693 I699	F681-G695 WeakPolarHBondContact CE2-O 3.44Å; G693-G695 PolarHBondContact O-N 3.25Å; G695-I699 WeakPolarHBondContact O-CG2 3.34Å; G695-I699 PolarHBondContact O-N 3.44Å; G695-I699 VanDerWaalsContact O-N 3.15Å
696	M	96.8	Very high	93.4	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-71.8	-40	179.7	-172.8	57.3	58.2	0	0	112	L619 F681 W684 G693 K694 I699 I700 F729 L732 F770 V774	L619-M696 HydrophobicContact CD2-CE 4.45Å; F681-M696 HydrophobicContact CD1-CE 4.08Å; F681-M696 HydrophobicContact CE1-CE 3.68Å; F681-M696 HydrophobicContact CZ-CE 3.98Å; W684-M696 HydrophobicContact CE3-CE 3.98Å; W684-M696 HydrophobicContact CZ3-CE 3.93Å; G693-M696 WeakPolarHBondContact O-CB 3.38Å; G693-M696 PolarHBondContact O-N 2.94Å; K694-M696 VanDerWaalsContact C-N 3.31Å; K694-M696 PolarHBondContact O-N 3.35Å; M696-I699 WeakPolarHBondContact O-CG2 3.48Å; M696-I699 HydrophobicContact SD-CG2 4.19Å; M696-I700 HydrophobicContact CG-CD1 4Å; M696-I700 WeakPolarHBondContact O-CB 3.22Å; M696-I700 WeakPolarHBondContact O-CD1 3.33Å; M696-I700 WeakPolarHBondContact O-CG1 3.37Å; M696-I700 PolarHBondContact O-N 3Å; M696-I700 VanDerWaalsContact O-N 3.1Å; M696-I700 HydrophobicContact SD-CD1 4.14Å; M696-I700 HydrophobicContact SD-CG1 4.44Å; M696-F729 HydrophobicContact SD-CD2 3.94Å; M696-L732 HydrophobicContact CG-CD1 3.61Å; M696-L732 HydrophobicContact SD-CD1 4.5Å; M696-F770 HydrophobicContact CB-CE1 4.34Å; M696-F770 HydrophobicContact CB-CZ 4.41Å; M696-F770 HydrophobicContact CG-CE1 4.29Å; M696-V774 HydrophobicContact CB-CG1 4.43Å; M696-V774 HydrophobicContact CG-CG1 4.45Å
697	I	95.8	Very high	93.6	Very high	19 Å²	19	39.2 Å²	39.2	10%	0.097	23%	0.23	C	C	.	.	H	α-helix	trans	-61.4	-45.5	173.5	-67.9	163.3	0	0	0	110.2	G693 K694 I700 A701 L736 V774 E777 Y778	G693-I697 WeakPolarHBondContact O-CG1 3.36Å; G693-I697 PolarHBondContact O-N 2.85Å; K694-I697 PolarHBondContact O-N 2.95Å; I697-I700 PolarHBondContact O-N 3.24Å; I697-A701 WeakPolarHBondContact O-CB 3.28Å; I697-A701 PolarHBondContact O-N 2.6Å; I697-L736 HydrophobicContact CG1-CD1 4.47Å; I697-V774 HydrophobicContact CD1-CG1 4.06Å; I697-V774 HydrophobicContact CG1-CG1 3.63Å; I697-E777 HydrophobicContact CD1-CB 4.46Å; I697-Y778 HydrophobicContact CD1-CD2 4.29Å; I697-Y778 HydrophobicContact CG1-CD2 4.24Å; I697-Y778 HydrophobicContact CG2-CD2 3.86Å; I697-Y778 HydrophobicContact CG2-CE2 4.29Å
698	N	94.9	Very high	93.7	Very high	62 Å²	62	41.7 Å²	41.7	33%	0.332	24%	0.235	S	C	.	.	H	α-helix	trans	-63.1	-46.7	-178.4	-72.2	-15.9	0	0	0	112.5	Y658 K694 A701 A702	Y658-N698 HydrophobicContact CE1-CB 4.04Å; K694-N698 WeakPolarHBondContact O-CB 3.44Å; K694-N698 VanDerWaalsContact O-CG 3.23Å; K694-N698 PolarHBondContact O-N 3.07Å; K694-N698 PolarHBondContact O-ND2 3.42Å; N698-A701 PolarHBondContact O-N 3.14Å; N698-A702 WeakPolarHBondContact O-CB 3.47Å; N698-A702 PolarHBondContact O-N 2.97Å
699	I	96.9	Very high	93.5	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-67	-38.6	177.4	-169.7	174.9	0	0	0	112.1	V617 Y658 F679 F681 G695 M696 A701 A702 V703 F729	V617-I699 HydrophobicContact CG1-CD1 4.14Å; Y658-I699 HydrophobicContact CD1-CB 3.75Å; Y658-I699 HydrophobicContact CD1-CG1 4.26Å; Y658-I699 HydrophobicContact CE1-CB 4Å; Y658-I699 HydrophobicContact CG-CB 4.29Å; Y658-I699 HydrophobicContact CG-CD1 4.34Å; Y658-I699 HydrophobicContact CG-CG1 4.31Å; F679-I699 HydrophobicContact CB-CD1 3.81Å; F679-I699 HydrophobicContact CB-CG1 4.04Å; F681-I699 HydrophobicContact CB-CD1 3.75Å; F681-I699 HydrophobicContact CD2-CB 4.37Å; F681-I699 HydrophobicContact CD2-CD1 4.1Å; F681-I699 HydrophobicContact CD2-CG2 3.94Å; F681-I699 HydrophobicContact CE2-CG2 4.26Å; F681-I699 HydrophobicContact CG-CD1 4.31Å; G695-I699 WeakPolarHBondContact O-CG2 3.34Å; G695-I699 PolarHBondContact O-N 3.44Å; G695-I699 VanDerWaalsContact O-N 3.15Å; M696-I699 WeakPolarHBondContact O-CG2 3.48Å; M696-I699 HydrophobicContact SD-CG2 4.19Å; I699-A701 VanDerWaalsContact C-N 3.35Å; I699-A701 PolarHBondContact O-N 2.88Å; I699-A702 PolarHBondContact O-N 2.83Å; I699-V703 HydrophobicContact CG1-CG2 4.33Å; I699-V703 VanDerWaalsContact O-CG2 3.28Å; I699-V703 WeakPolarHBondContact O-CG2 3.35Å; I699-V703 PolarHBondContact O-N 2.86Å; I699-F729 HydrophobicContact CG2-CE2 4.39Å
700	I	96.5	Very high	93.1	Very high	4 Å²	4	46 Å²	46	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-60.6	-45.1	174.3	-70.8	169.3	0	0	0	110.4	M696 I697 A702 V703 Q704 F729 L732 L736	M696-I700 HydrophobicContact CG-CD1 4Å; M696-I700 WeakPolarHBondContact O-CB 3.22Å; M696-I700 WeakPolarHBondContact O-CD1 3.33Å; M696-I700 WeakPolarHBondContact O-CG1 3.37Å; M696-I700 PolarHBondContact O-N 3Å; M696-I700 VanDerWaalsContact O-N 3.1Å; M696-I700 HydrophobicContact SD-CD1 4.14Å; M696-I700 HydrophobicContact SD-CG1 4.44Å; I697-I700 PolarHBondContact O-N 3.24Å; I700-A702 PolarHBondContact O-N 3.28Å; I700-V703 PolarHBondContact O-N 3.4Å; I700-Q704 HydrophobicContact CG2-CG 4.45Å; I700-Q704 WeakPolarHBondContact O-CB 3.37Å; I700-Q704 VanDerWaalsContact O-CG 3.31Å; I700-Q704 WeakPolarHBondContact O-CG 3.45Å; I700-Q704 PolarHBondContact O-N 3.37Å; I700-F729 HydrophobicContact CD1-CD2 4.47Å; I700-F729 HydrophobicContact CG1-CD2 3.89Å; I700-F729 HydrophobicContact CG1-CE2 3.5Å; I700-F729 HydrophobicContact CG1-CZ 4.13Å; I700-L732 HydrophobicContact CD1-CB 3.61Å; I700-L736 HydrophobicContact CD1-CD1 4.16Å
701	A	94.4	Very high	92.6	Very high	51 Å²	51	48 Å²	48	42%	0.421	27%	0.272	S	S	.	.	H	α-helix	trans	-63.8	-39.6	177	0	0	0	0	0	112.6	I697 N698 I699 Q704 K705	I697-A701 WeakPolarHBondContact O-CB 3.28Å; I697-A701 PolarHBondContact O-N 2.6Å; N698-A701 PolarHBondContact O-N 3.14Å; I699-A701 VanDerWaalsContact C-N 3.35Å; I699-A701 PolarHBondContact O-N 2.88Å; A701-Q704 PolarHBondContact O-N 2.7Å; A701-K705 WeakPolarHBondContact O-CB 3.21Å; A701-K705 PolarHBondContact O-N 2.77Å
702	A	95.4	Very high	92.6	Very high	22 Å²	22	47.2 Å²	47.2	18%	0.182	26%	0.255	C	S	.	.	H	α-helix	trans	-65.5	-42.1	176.6	0	0	0	0	0	112.4	F679 N698 I699 I700 K705 Q706	F679-A702 HydrophobicContact CD1-CB 4.31Å; F679-A702 HydrophobicContact CE1-CB 3.85Å; N698-A702 WeakPolarHBondContact O-CB 3.47Å; N698-A702 PolarHBondContact O-N 2.97Å; I699-A702 PolarHBondContact O-N 2.83Å; I700-A702 PolarHBondContact O-N 3.28Å; A702-K705 PolarHBondContact O-N 2.9Å; A702-Q706 PolarHBondContact O-N 2.64Å
703	V	96.3	Very high	92.7	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.012	25%	0.25	C	S	.	.	H	α-helix	trans	-65.6	-45	174.6	173.2	0	0	0	0	110.9	V617 F679 I699 I700 K705 Q706 Q707 I715 F729	V617-V703 HydrophobicContact CG2-CG1 4.26Å; V617-V703 HydrophobicContact CG2-CG2 3.64Å; F679-V703 HydrophobicContact CB-CG2 4.38Å; F679-V703 HydrophobicContact CD1-CG2 4.16Å; F679-V703 HydrophobicContact CD2-CG2 3.64Å; F679-V703 HydrophobicContact CE1-CG2 4.32Å; F679-V703 HydrophobicContact CE2-CG2 3.81Å; F679-V703 HydrophobicContact CG-CG2 3.82Å; F679-V703 HydrophobicContact CZ-CG2 4.15Å; I699-V703 HydrophobicContact CG1-CG2 4.33Å; I699-V703 VanDerWaalsContact O-CG2 3.28Å; I699-V703 WeakPolarHBondContact O-CG2 3.35Å; I699-V703 PolarHBondContact O-N 2.86Å; I700-V703 PolarHBondContact O-N 3.4Å; V703-K705 VanDerWaalsContact C-N 3.3Å; V703-K705 PolarHBondContact O-N 2.79Å; V703-Q706 WeakPolarHBondContact O-CB 3.42Å; V703-Q706 PolarHBondContact O-N 3.11Å; V703-Q707 HydrophobicContact CG1-CG 4.41Å; V703-Q707 VanDerWaalsContact O-CG 3.28Å; V703-Q707 WeakPolarHBondContact O-CG 3.48Å; V703-Q707 PolarHBondContact O-N 3Å; V703-I715 HydrophobicContact CG1-CD1 3.88Å; V703-I715 HydrophobicContact CG1-CG1 4.29Å; V703-I715 HydrophobicContact CG1-CG2 4Å; V703-F729 HydrophobicContact CB-CZ 4.38Å; V703-F729 HydrophobicContact CG1-CZ 4.33Å; V703-F729 HydrophobicContact CG2-CZ 4.22Å
704	Q	92.6	Very high	92.8	Very high	55 Å²	55	47.6 Å²	47.6	26%	0.257	26%	0.256	S	S	.	.	H	α-helix	trans	-59.8	-39.4	175.7	-74.8	177.8	-0.4	0	0	112.2	I700 A701 Q707 Q708	I700-Q704 HydrophobicContact CG2-CG 4.45Å; I700-Q704 WeakPolarHBondContact O-CB 3.37Å; I700-Q704 VanDerWaalsContact O-CG 3.31Å; I700-Q704 WeakPolarHBondContact O-CG 3.45Å; I700-Q704 PolarHBondContact O-N 3.37Å; A701-Q704 PolarHBondContact O-N 2.7Å; Q704-Q707 PolarHBondContact O-N 3.04Å; Q704-Q708 WeakPolarHBondContact O-CG 3.44Å; Q704-Q708 PolarHBondContact O-N 2.84Å
705	K	92.6	Very high	93.1	Very high	136 Å²	136	44 Å²	44	59%	0.591	24%	0.24	S	C	*	.	H	α-helix	trans	-63.5	-42.2	174.6	-178.7	-176.2	176.7	-173.5	0	112.2	A701 A702 V703 Q709	A701-K705 WeakPolarHBondContact O-CB 3.21Å; A701-K705 PolarHBondContact O-N 2.77Å; A702-K705 PolarHBondContact O-N 2.9Å; V703-K705 VanDerWaalsContact C-N 3.3Å; V703-K705 PolarHBondContact O-N 2.79Å; K705-Q709 WeakPolarHBondContact O-CG 3.32Å
706	Q	92.7	Very high	93.3	Very high	13 Å²	13	43.7 Å²	43.7	6%	0.061	24%	0.238	C	C	.	.	H	α-helix	trans	-61.6	-46.9	174.5	173.5	69.5	7.1	0	0	111.4	C614 S615 R677 F679 A702 V703 Q708 Q709 S710	C614-Q706 PolarHBondContact O-NE2 3.36Å; S615-Q706 WeakPolarHBondContact OG-CG 3.29Å; R677-Q706 HydrophobicContact CB-CG 4.35Å; F679-Q706 HydrophobicContact CE2-CB 4.27Å; F679-Q706 HydrophobicContact CE2-CG 4.26Å; F679-Q706 HydrophobicContact CZ-CB 3.85Å; F679-Q706 HydrophobicContact CZ-CG 4.22Å; A702-Q706 PolarHBondContact O-N 2.64Å; V703-Q706 WeakPolarHBondContact O-CB 3.42Å; V703-Q706 PolarHBondContact O-N 3.11Å; Q706-Q708 VanDerWaalsContact C-N 3.33Å; Q706-Q708 PolarHBondContact O-N 2.81Å; Q706-Q709 CarbonylContact O-C 3.49Å; Q706-Q709 WeakPolarHBondContact O-CA 3.45Å; Q706-Q709 WeakPolarHBondContact O-CB 3.15Å; Q706-Q709 PolarHBondContact O-N 3.05Å; Q706-S710 PolarHBondContact O-N 3.18Å; Q706-S710 PolarHBondContact O-OG 3.22Å
707	Q	90.6	Very high	93.4	Very high	14 Å²	14	43.7 Å²	43.7	7%	0.065	24%	0.238	C	C	.	.	H	α-helix	trans	-59	-40.9	-177.7	-72.3	-68.2	106.9	0	0	113.5	S615 V703 Q704 Q709 S710 G711 N712 H713 I715	S615-Q707 PolarHBondContact OG-OE1 2.92Å; V703-Q707 HydrophobicContact CG1-CG 4.41Å; V703-Q707 VanDerWaalsContact O-CG 3.28Å; V703-Q707 WeakPolarHBondContact O-CG 3.48Å; V703-Q707 PolarHBondContact O-N 3Å; Q704-Q707 PolarHBondContact O-N 3.04Å; Q707-Q709 PolarHBondContact O-N 2.69Å; Q707-S710 PolarHBondContact O-N 3.34Å; Q707-G711 PolarHBondContact O-N 3.39Å; Q707-G711 VanDerWaalsContact O-N 3.17Å; Q707-N712 PolarHBondContact O-N 2.84Å; Q707-N712 PolarHBondContact O-OD1 2.71Å; Q707-N712 VanDerWaalsContact O-OD1 3.12Å; Q707-H713 PolarHBondContact NE2-O 3.19Å; Q707-I715 VanDerWaalsContact CD-CG1 3.4Å; Q707-I715 HydrophobicContact CG-CD1 3.91Å; Q707-I715 HydrophobicContact CG-CG1 3.83Å
708	Q	87.7	Confident	93.5	Very high	151 Å²	151	42.8 Å²	42.8	71%	0.706	23%	0.233	S	C	*	.	H	α-helix	trans	-61.8	-26	174.8	-69.5	168.3	17.9	0	0	112.8	Q704 Q706	Q704-Q708 WeakPolarHBondContact O-CG 3.44Å; Q704-Q708 PolarHBondContact O-N 2.84Å; Q706-Q708 VanDerWaalsContact C-N 3.33Å; Q706-Q708 PolarHBondContact O-N 2.81Å
709	Q	88.8	Confident	93.6	Very high	139 Å²	139	40.2 Å²	40.2	65%	0.65	22%	0.22	S	C	*	.	H	α-helix	trans	-92.4	-28.1	177.5	-63.1	178.4	-15	0	0	112.4	K705 Q706 Q707	K705-Q709 WeakPolarHBondContact O-CG 3.32Å; Q706-Q709 CarbonylContact O-C 3.49Å; Q706-Q709 WeakPolarHBondContact O-CA 3.45Å; Q706-Q709 WeakPolarHBondContact O-CB 3.15Å; Q706-Q709 PolarHBondContact O-N 3.05Å; Q707-Q709 PolarHBondContact O-N 2.69Å
710	S	86.2	Confident	93.7	Very high	22 Å²	22	41.5 Å²	41.5	15%	0.154	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	18.6	-176.2	73.9	0	0	0	0	114.8	Q706 Q707	Q706-S710 PolarHBondContact O-N 3.18Å; Q706-S710 PolarHBondContact O-OG 3.22Å; Q707-S710 PolarHBondContact O-N 3.34Å
711	G	83.9	Confident	93.7	Very high	52 Å²	52	41.9 Å²	41.9	54%	0.536	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	26.3	170.7	0	0	0	0	0	116.1	Q707 H713	Q707-G711 PolarHBondContact O-N 3.39Å; Q707-G711 VanDerWaalsContact O-N 3.17Å; G711-H713 VanDerWaalsContact C-N 3.27Å; G711-H713 PolarHBondContact O-N 3.37Å; G711-H713 PolarHBondContact O-ND1 2.78Å
712	N	88.3	Confident	93.9	Very high	77 Å²	77	39.5 Å²	39.5	41%	0.412	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	34.4	173.5	-58.8	-37.8	0	0	0	115.6	Q586 Q707	Q586-N712 PolarHBondContact NE2-O 2.63Å; Q707-N712 PolarHBondContact O-N 2.84Å; Q707-N712 PolarHBondContact O-OD1 2.71Å; Q707-N712 VanDerWaalsContact O-OD1 3.12Å
713	H	94.3	Very high	94	Very high	65 Å²	65	38.4 Å²	38.4	30%	0.301	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-67.8	156.8	169.3	-63.8	-14.4	0	0	0	111.7	R612 Q707 G711 I715	R612-H713 HydrophobicContact CB-CB 4.46Å; R612-H713 VanDerWaalsContact CB-CD2 3.48Å; R612-H713 WeakPolarHBondContact CB-CD2 3.31Å; R612-H713 WeakPolarHBondContact O-CB 3.27Å; R612-H713 PolarHBondContact O-CD2 3.4Å; Q707-H713 PolarHBondContact NE2-O 3.19Å; G711-H713 VanDerWaalsContact C-N 3.27Å; G711-H713 PolarHBondContact O-N 3.37Å; G711-H713 PolarHBondContact O-ND1 2.78Å; H713-I715 PolarHBondContact O-N 2.96Å
714	P	96.9	Very high	94	Very high	18 Å²	18	38.5 Å²	38.5	12%	0.117	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-54.9	130.9	-175.1	-27.3	35.3	0	0	0	113.9	D588 A589 I591 S613	D588-P714 WeakPolarHBondContact O-CB 3.35Å; D588-P714 WeakPolarHBondContact O-CG 3.25Å; A589-P714 WeakPolarHBondContact O-CA 3.43Å; I591-P714 HydrophobicContact CD1-CB 3.87Å; I591-P714 HydrophobicContact CG1-CB 3.91Å; S613-P714 WeakPolarHBondContact CA-O 3.38Å; S613-P714 VanDerWaalsContact CB-O 3.28Å; S613-P714 WeakPolarHBondContact CB-O 3.46Å; S613-P714 PolarHBondContact OG-O 3.06Å
715	I	98.4	Very high	94.3	Very high	15 Å²	15	37.1 Å²	37.1	8%	0.077	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	121	177.6	-54.8	161.3	0	0	0	109.1	A589 Y590 I591 V617 V703 Q707 H713 V717	A589-I715 PolarHBondContact O-N 3.31Å; Y590-I715 CarbonylContact C-O 3.54Å; Y590-I715 VanDerWaalsContact CA-O 3.27Å; Y590-I715 WeakPolarHBondContact CA-O 3.38Å; Y590-I715 HydrophobicContact CD1-CB 4.14Å; Y590-I715 HydrophobicContact CD1-CD1 3.82Å; Y590-I715 HydrophobicContact CE1-CD1 3.89Å; I591-I715 PolarHBondContact N-O 2.72Å; V617-I715 HydrophobicContact CG2-CG2 3.79Å; V703-I715 HydrophobicContact CG1-CD1 3.88Å; V703-I715 HydrophobicContact CG1-CG1 4.29Å; V703-I715 HydrophobicContact CG1-CG2 4Å; Q707-I715 VanDerWaalsContact CD-CG1 3.4Å; Q707-I715 HydrophobicContact CG-CD1 3.91Å; Q707-I715 HydrophobicContact CG-CG1 3.83Å; H713-I715 PolarHBondContact O-N 2.96Å; I715-V717 HydrophobicContact CB-CG2 4.38Å; I715-V717 HydrophobicContact CG2-CG2 3.75Å; I715-V717 PolarHBondContact O-N 2.9Å
716	T	98.8	Very high	94.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	107	175.4	-56.7	0	0	0	0	110.3	I591 F604 M607 I608 S613 S615 I616 V617	I591-T716 HydrophobicContact CG2-CG2 4.45Å; F604-T716 HydrophobicContact CE2-CG2 3.95Å; F604-T716 HydrophobicContact CZ-CG2 4.04Å; M607-T716 HydrophobicContact CE-CG2 3.8Å; I608-T716 HydrophobicContact CG1-CG2 4.45Å; S613-T716 WeakPolarHBondContact CB-OG1 3.45Å; S613-T716 PolarHBondContact OG-N 3.4Å; S613-T716 PolarHBondContact OG-OG1 2.98Å; S615-T716 PolarHBondContact O-N 3.48Å; I616-T716 CarbonylContact C-O 3.47Å; I616-T716 VanDerWaalsContact CA-O 3.31Å; I616-T716 WeakPolarHBondContact CA-O 3.41Å; I616-T716 HydrophobicContact CG2-CG2 4.45Å; V617-T716 PolarHBondContact N-O 3.1Å
717	V	98.9	Very high	94.8	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.1	-178.6	-172.4	0	0	0	0	109.7	Y590 I591 A592 S593 V617 L619 I715 T726 F729	Y590-V717 HydrophobicContact CD1-CG2 4.22Å; I591-V717 PolarHBondContact O-N 3.48Å; A592-V717 WeakPolarHBondContact CA-O 3.46Å; S593-V717 PolarHBondContact N-O 2.81Å; V617-V717 HydrophobicContact CB-CG1 4.28Å; V617-V717 HydrophobicContact CB-CG2 4.28Å; V617-V717 HydrophobicContact CG1-CG1 4.5Å; V617-V717 HydrophobicContact CG2-CG2 4.43Å; L619-V717 HydrophobicContact CD1-CG1 3.65Å; I715-V717 HydrophobicContact CB-CG2 4.38Å; I715-V717 HydrophobicContact CG2-CG2 3.75Å; I715-V717 PolarHBondContact O-N 2.9Å; V717-T726 HydrophobicContact CB-CG2 4.15Å; V717-T726 HydrophobicContact CG1-CG2 3.89Å; V717-T726 WeakPolarHBondContact O-CG2 3.43Å; V717-F729 HydrophobicContact CB-CD1 4.38Å; V717-F729 HydrophobicContact CG1-CB 4.2Å; V717-F729 HydrophobicContact CG1-CD1 3.67Å; V717-F729 HydrophobicContact CG1-CE1 4.39Å; V717-F729 HydrophobicContact CG1-CG 4.11Å; V717-F729 HydrophobicContact CG2-CD1 3.74Å; V717-F729 HydrophobicContact CG2-CE1 3.76Å
718	H	98.8	Very high	95.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	155.7	176.5	80.7	93	0	0	0	113.2	S593 G595 V617 M618 L619 C630 Y633	S593-H718 VanDerWaalsContact O-CA 3.3Å; S593-H718 WeakPolarHBondContact O-CA 3.46Å; S593-H718 WeakPolarHBondContact O-CB 3.45Å; G595-H718 WeakPolarHBondContact CA-ND1 3.35Å; V617-H718 PolarHBondContact O-N 3.33Å; M618-H718 WeakPolarHBondContact CB-NE2 3.3Å; M618-H718 WeakPolarHBondContact CG-CE1 3.28Å; M618-H718 VanDerWaalsContact SD-CE1 3.59Å; L619-H718 PolarHBondContact N-O 3.46Å; C630-H718 VanDerWaalsContact SG-CE1 3.6Å; Y633-H718 AromaticContact CE1-CE1 3.72Å; Y633-H718 AromaticContact CE1-NE2 3.39Å; Y633-H718 WeakPolarHBondContact CE1-NE2 3.28Å; Y633-H718 AromaticContact CZ-NE2 3.48Å; Y633-H718 PolarHBondContact OH-NE2 3.47Å
719	C	97.4	Very high	95.7	Very high	8 Å²	8	22.1 Å²	22.1	5%	0.054	13%	0.13	C	C	.	.			trans	-126.2	-135.8	161.1	65.2	0	0	0	0	106.8	G595 L619 T620 G722 R725 T726	G595-C719 WeakPolarHBondContact CA-O 3.5Å; G595-C719 PolarHBondContact N-O 2.96Å; L619-C719 HydrophobicContact CB-CB 4.11Å; T620-C719 VanDerWaalsContact CG2-C 3.46Å; C719-G722 PolarHBondContact SG-N 3.44Å; C719-G722 VanDerWaalsContact SG-N 3.4Å; C719-R725 HydrophobicContact CB-CB 3.89Å; C719-T726 PolarHBondContact N-OG1 2.84Å; C719-T726 VanDerWaalsContact N-OG1 3.16Å
720	S	97.8	Very high	96.2	Very high	27 Å²	27	15.5 Å²	15.5	19%	0.189	10%	0.099	C	C	.	.	S	Bend	trans	-74.7	-72.9	168.9	-165.1	0	0	0	0	112.1	R550 Q594 G595 K629 G722	R550-S720 WeakPolarHBondContact CD-O 3.28Å; R550-S720 VanDerWaalsContact CD-OG 3.27Å; R550-S720 WeakPolarHBondContact CD-OG 3.3Å; Q594-S720 CarbonylContact C-O 3.54Å; Q594-S720 WeakPolarHBondContact CA-O 3.29Å; Q594-S720 WeakPolarHBondContact CB-O 3.42Å; G595-S720 PolarHBondContact N-O 2.89Å; K629-S720 WeakPolarHBondContact CA-OG 3.33Å; K629-S720 WeakPolarHBondContact O-CA 3.41Å; K629-S720 WeakPolarHBondContact O-CB 3.31Å; K629-S720 PolarHBondContact O-OG 2.93Å; S720-G722 PolarHBondContact O-N 3.22Å
721	A	97.4	Very high	96.8	Very high	13 Å²	13	14.5 Å²	14.5	11%	0.107	9%	0.092	C	C	.	.	S	Bend	trans	-81.5	-10	179.9	0	0	0	0	0	114.8	V551 I554 R758	V551-A721 HydrophobicContact CB-CB 4.38Å; V551-A721 HydrophobicContact CG2-CB 3.83Å; I554-A721 HydrophobicContact CD1-CB 3.77Å; I554-A721 HydrophobicContact CG2-CB 4.43Å; I554-A721 WeakPolarHBondContact CG2-O 3.15Å; A721-R758 PolarHBondContact O-NH2 2.89Å
722	G	97.4	Very high	97.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.067	C	C	.	.	S	Bend	trans	74.3	32.8	-179.9	0	0	0	0	0	114.9	S593 C719 S720 T726 R758	S593-G722 WeakPolarHBondContact O-CA 3.49Å; C719-G722 PolarHBondContact SG-N 3.44Å; C719-G722 VanDerWaalsContact SG-N 3.4Å; S720-G722 PolarHBondContact O-N 3.22Å; G722-T726 WeakPolarHBondContact CA-OG1 3.4Å; G722-R758 WeakPolarHBondContact O-CD 3.49Å; G722-R758 PolarHBondContact O-NE 2.95Å
723	A	97.3	Very high	97.9	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.049	C	C	.	.	S	Bend	trans	-134.7	-60.1	-176.1	0	0	0	0	0	113.8	I554 G727 H760 M761 V762	I554-A723 HydrophobicContact CD1-CB 4.18Å; I554-A723 HydrophobicContact CG2-CB 3.67Å; A723-G727 VanDerWaalsContact O-CA 3.3Å; A723-G727 WeakPolarHBondContact O-CA 3.39Å; A723-G727 PolarHBondContact O-N 3.21Å; A723-H760 HydrophobicContact CB-CB 4.2Å; A723-M761 WeakPolarHBondContact O-CA 3.36Å; A723-V762 PolarHBondContact O-N 3.23Å
724	G	97.4	Very high	98	Very high	3 Å²	3	6.4 Å²	6.4	3%	0.031	4%	0.039	C	C	.	.	H	α-helix	trans	-61.5	-83.6	-178.3	0	0	0	0	0	113.4	T726 G727 T728	G724-T726 VanDerWaalsContact C-N 3.31Å; G724-T726 PolarHBondContact O-N 3.21Å; G724-G727 PolarHBondContact O-N 3.12Å; G724-G727 VanDerWaalsContact O-N 3.1Å; G724-T728 PolarHBondContact O-N 2.74Å; G724-T728 PolarHBondContact O-OG1 2.91Å
725	R	98.4	Very high	97.9	Very high	26 Å²	26	5.7 Å²	5.7	10%	0.098	4%	0.035	C	C	.	.	H	α-helix	trans	-56	-41.1	178.3	-56	-175.5	175.5	146.3	-0	113	L619 T620 E624 W684 P685 C719 G727 T728 F729	L619-R725 HydrophobicContact CB-CB 4.03Å; L619-R725 HydrophobicContact CD1-CB 4.49Å; L619-R725 WeakPolarHBondContact O-CD 3.33Å; L619-R725 PolarHBondContact O-NH1 3.08Å; L619-R725 VanDerWaalsContact O-NH1 3.08Å; T620-R725 PolarHBondContact OG1-NH1 2.94Å; E624-R725 IonicContact OE1-CZ 2.67Å; E624-R725 IonicContact OE1-NH1 3.08Å; E624-R725 PolarHBondContact OE1-NH1 2.93Å; E624-R725 IonicContact OE1-NH2 2.87Å; E624-R725 IonicContact OE2-CZ 3.7Å; E624-R725 IonicContact OE2-NH1 2.91Å; E624-R725 PolarHBondContact OE2-NH1 3.43Å; E624-R725 IonicContact OE2-NH2 3.39Å; E624-R725 PolarHBondContact OE2-NH2 2.77Å; W684-R725 HydrophobicContact CD2-CB 4.35Å; W684-R725 VanDerWaalsContact CD2-CD 3.42Å; W684-R725 HydrophobicContact CD2-CG 3.64Å; W684-R725 HydrophobicContact CE3-CB 3.89Å; W684-R725 HydrophobicContact CE3-CG 3.71Å; W684-R725 HydrophobicContact CG-CG 4.36Å; W684-R725 HydrophobicContact CH2-CB 3.95Å; W684-R725 HydrophobicContact CH2-CG 3.75Å; W684-R725 HydrophobicContact CZ2-CB 4.41Å; W684-R725 HydrophobicContact CZ2-CG 3.69Å; W684-R725 HydrophobicContact CZ3-CB 3.66Å; W684-R725 HydrophobicContact CZ3-CG 3.76Å; P685-R725 PolarHBondContact O-NH2 3.45Å; P685-R725 VanDerWaalsContact O-NH2 3.07Å; C719-R725 HydrophobicContact CB-CB 3.89Å; R725-G727 PolarHBondContact O-N 3.41Å; R725-T728 WeakPolarHBondContact O-CB 3.02Å; R725-T728 PolarHBondContact O-N 3.48Å; R725-F729 PolarHBondContact O-N 3.25Å
726	T	98.8	Very high	97.8	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-55.6	-49.3	173.1	-62.3	0	0	0	0	112.5	A592 V717 C719 G722 G724 T728 F729 C730 M761	A592-T726 HydrophobicContact CB-CG2 3.65Å; V717-T726 HydrophobicContact CB-CG2 4.15Å; V717-T726 HydrophobicContact CG1-CG2 3.89Å; V717-T726 WeakPolarHBondContact O-CG2 3.43Å; C719-T726 PolarHBondContact N-OG1 2.84Å; C719-T726 VanDerWaalsContact N-OG1 3.16Å; G722-T726 WeakPolarHBondContact CA-OG1 3.4Å; G724-T726 VanDerWaalsContact C-N 3.31Å; G724-T726 PolarHBondContact O-N 3.21Å; T726-T728 VanDerWaalsContact C-N 3.31Å; T726-T728 PolarHBondContact O-N 2.84Å; T726-F729 PolarHBondContact O-N 3.33Å; T726-C730 PolarHBondContact O-N 3.16Å; T726-C730 PolarHBondContact O-SG 3.39Å; T726-M761 HydrophobicContact CG2-CE 4.49Å; T726-M761 HydrophobicContact CG2-SD 4.49Å
727	G	98.3	Very high	97.4	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-64.9	-35.3	177.2	0	0	0	0	0	112.4	A723 G724 R725 C730 A731 L754 V762	A723-G727 VanDerWaalsContact O-CA 3.3Å; A723-G727 WeakPolarHBondContact O-CA 3.39Å; A723-G727 PolarHBondContact O-N 3.21Å; G724-G727 PolarHBondContact O-N 3.12Å; G724-G727 VanDerWaalsContact O-N 3.1Å; R725-G727 PolarHBondContact O-N 3.41Å; G727-C730 PolarHBondContact O-N 2.87Å; G727-A731 WeakPolarHBondContact O-CB 3.48Å; G727-A731 PolarHBondContact O-N 3.22Å; G727-L754 WeakPolarHBondContact O-CD1 3.38Å; G727-V762 VanDerWaalsContact C-CG2 3.46Å
728	T	98.6	Very high	97.1	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.5	-45.9	174.1	-55	0	0	0	0	111.5	W684 G724 R725 T726 A731 L732 F770	W684-T728 HydrophobicContact CH2-CG2 3.82Å; W684-T728 HydrophobicContact CZ3-CG2 4.23Å; G724-T728 PolarHBondContact O-N 2.74Å; G724-T728 PolarHBondContact O-OG1 2.91Å; R725-T728 WeakPolarHBondContact O-CB 3.02Å; R725-T728 PolarHBondContact O-N 3.48Å; T726-T728 VanDerWaalsContact C-N 3.31Å; T726-T728 PolarHBondContact O-N 2.84Å; T728-A731 PolarHBondContact O-N 2.96Å; T728-L732 HydrophobicContact CG2-CD1 3.94Å; T728-L732 WeakPolarHBondContact O-CB 3.45Å; T728-L732 WeakPolarHBondContact O-CG 3.49Å; T728-L732 PolarHBondContact O-N 3.32Å; T728-F770 HydrophobicContact CG2-CD1 3.92Å
729	F	98.6	Very high	96.7	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.4	-44.8	175.8	178.6	-85.4	0	0	0	112.4	V617 L619 M696 I699 I700 V703 V717 R725 T726 A731 S733	V617-F729 HydrophobicContact CB-CZ 4.44Å; V617-F729 HydrophobicContact CG1-CD2 4.08Å; V617-F729 HydrophobicContact CG1-CE1 4.38Å; V617-F729 HydrophobicContact CG1-CE2 3.84Å; V617-F729 HydrophobicContact CG1-CG 4.46Å; V617-F729 HydrophobicContact CG1-CZ 4.02Å; V617-F729 HydrophobicContact CG2-CE1 4.18Å; V617-F729 HydrophobicContact CG2-CZ 3.9Å; L619-F729 HydrophobicContact CD1-CB 3.54Å; L619-F729 HydrophobicContact CD1-CG 4.1Å; L619-F729 HydrophobicContact CD2-CD2 4.26Å; M696-F729 HydrophobicContact SD-CD2 3.94Å; I699-F729 HydrophobicContact CG2-CE2 4.39Å; I700-F729 HydrophobicContact CD1-CD2 4.47Å; I700-F729 HydrophobicContact CG1-CD2 3.89Å; I700-F729 HydrophobicContact CG1-CE2 3.5Å; I700-F729 HydrophobicContact CG1-CZ 4.13Å; V703-F729 HydrophobicContact CB-CZ 4.38Å; V703-F729 HydrophobicContact CG1-CZ 4.33Å; V703-F729 HydrophobicContact CG2-CZ 4.22Å; V717-F729 HydrophobicContact CB-CD1 4.38Å; V717-F729 HydrophobicContact CG1-CB 4.2Å; V717-F729 HydrophobicContact CG1-CD1 3.67Å; V717-F729 HydrophobicContact CG1-CE1 4.39Å; V717-F729 HydrophobicContact CG1-CG 4.11Å; V717-F729 HydrophobicContact CG2-CD1 3.74Å; V717-F729 HydrophobicContact CG2-CE1 3.76Å; R725-F729 PolarHBondContact O-N 3.25Å; T726-F729 PolarHBondContact O-N 3.33Å; F729-A731 VanDerWaalsContact C-N 3.35Å; F729-S733 WeakPolarHBondContact CE1-OG 3.35Å; F729-S733 VanDerWaalsContact O-CB 3.24Å; F729-S733 WeakPolarHBondContact O-CB 3.39Å; F729-S733 PolarHBondContact O-N 3.08Å; F729-S733 PolarHBondContact O-OG 3.4Å
730	C	98.4	Very high	96.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-66.8	-35.7	177.5	-63.2	0	0	0	0	112.2	Y590 T726 G727 T734 L754 M761	Y590-C730 HydrophobicContact CD2-CB 4.32Å; Y590-C730 HydrophobicContact CE2-CB 4.35Å; T726-C730 PolarHBondContact O-N 3.16Å; T726-C730 PolarHBondContact O-SG 3.39Å; G727-C730 PolarHBondContact O-N 2.87Å; C730-T734 VanDerWaalsContact O-CB 3.3Å; C730-T734 WeakPolarHBondContact O-CB 3.33Å; C730-T734 PolarHBondContact O-N 2.99Å; C730-T734 PolarHBondContact O-OG1 3.48Å; C730-L754 HydrophobicContact CB-CD1 4.22Å; C730-L754 HydrophobicContact CB-CD2 4.11Å; C730-M761 HydrophobicContact CB-CE 4.42Å
731	A	98.3	Very high	95.6	Very high	1 Å²	1	13 Å²	13	1%	0.008	7%	0.069	C	C	.	.	H	α-helix	trans	-65.1	-52.5	174.8	0	0	0	0	0	110.8	G727 T728 F729 T734 V735 T750 V751 L754 V762	G727-A731 WeakPolarHBondContact O-CB 3.48Å; G727-A731 PolarHBondContact O-N 3.22Å; T728-A731 PolarHBondContact O-N 2.96Å; F729-A731 VanDerWaalsContact C-N 3.35Å; A731-T734 PolarHBondContact O-N 3.05Å; A731-V735 WeakPolarHBondContact O-CG2 3.35Å; A731-V735 PolarHBondContact O-N 3.11Å; A731-T750 HydrophobicContact CB-CG2 4.22Å; A731-V751 HydrophobicContact CB-CG2 4.07Å; A731-L754 HydrophobicContact CB-CD1 3.72Å; A731-V762 HydrophobicContact CB-CG2 4.41Å
732	L	98.2	Very high	95	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-62.9	-45.6	179.8	-73.6	172.8	0	0	0	112.2	M696 I700 T728 T734 V735 L736 F770 C771 V774 V775	M696-L732 HydrophobicContact CG-CD1 3.61Å; M696-L732 HydrophobicContact SD-CD1 4.5Å; I700-L732 HydrophobicContact CD1-CB 3.61Å; T728-L732 HydrophobicContact CG2-CD1 3.94Å; T728-L732 WeakPolarHBondContact O-CB 3.45Å; T728-L732 WeakPolarHBondContact O-CG 3.49Å; T728-L732 PolarHBondContact O-N 3.32Å; L732-T734 PolarHBondContact O-N 3.48Å; L732-V735 PolarHBondContact O-N 3.4Å; L732-L736 VanDerWaalsContact O-CB 3.26Å; L732-L736 WeakPolarHBondContact O-CB 3.41Å; L732-L736 WeakPolarHBondContact O-CG 3.4Å; L732-L736 PolarHBondContact O-N 2.78Å; L732-F770 HydrophobicContact CD1-CD1 4.49Å; L732-F770 HydrophobicContact CD1-CE1 4.44Å; L732-C771 WeakPolarHBondContact CD2-O 3.43Å; L732-V774 HydrophobicContact CD1-CB 3.92Å; L732-V774 HydrophobicContact CD1-CG1 4.02Å; L732-V774 HydrophobicContact CD1-CG2 3.98Å; L732-V774 HydrophobicContact CD2-CB 3.77Å; L732-V774 HydrophobicContact CD2-CG1 4.06Å; L732-V775 HydrophobicContact CD2-CG2 3.85Å
733	S	97	Very high	94.5	Very high	5 Å²	5	14.8 Å²	14.8	4%	0.035	8%	0.077	C	C	.	.	H	α-helix	trans	-55.6	-39.8	175.9	-62.8	0	0	0	0	112.1	Y590 F729 E737	Y590-S733 WeakPolarHBondContact OH-CB 3.46Å; F729-S733 WeakPolarHBondContact CE1-OG 3.35Å; F729-S733 VanDerWaalsContact O-CB 3.24Å; F729-S733 WeakPolarHBondContact O-CB 3.39Å; F729-S733 PolarHBondContact O-N 3.08Å; F729-S733 PolarHBondContact O-OG 3.4Å; S733-E737 WeakPolarHBondContact O-CB 3.32Å; S733-E737 PolarHBondContact O-N 2.64Å
734	T	95.8	Very high	94.1	Very high	17 Å²	17	15.7 Å²	15.7	10%	0.104	8%	0.082	C	C	.	.	H	α-helix	trans	-76.4	-42.7	-179.9	-55.7	0	0	0	0	112.6	Y590 C730 A731 L732 R738 T750	Y590-T734 PolarHBondContact OH-N 3.44Å; Y590-T734 PolarHBondContact OH-OG1 2.97Å; C730-T734 VanDerWaalsContact O-CB 3.3Å; C730-T734 WeakPolarHBondContact O-CB 3.33Å; C730-T734 PolarHBondContact O-N 2.99Å; C730-T734 PolarHBondContact O-OG1 3.48Å; A731-T734 PolarHBondContact O-N 3.05Å; L732-T734 PolarHBondContact O-N 3.48Å; T734-R738 WeakPolarHBondContact O-CB 3.43Å; T734-R738 PolarHBondContact O-N 2.72Å; T734-R738 VanDerWaalsContact O-N 3.13Å; T734-T750 HydrophobicContact CG2-CG2 4.12Å
735	V	96.5	Very high	93.9	Very high	3 Å²	3	15.6 Å²	15.6	2%	0.018	8%	0.081	C	C	.	.	H	α-helix	trans	-70.6	-43.2	179.1	175.4	0	0	0	0	111.2	A731 L732 E737 R738 V739 L745 T750 V775	A731-V735 WeakPolarHBondContact O-CG2 3.35Å; A731-V735 PolarHBondContact O-N 3.11Å; L732-V735 PolarHBondContact O-N 3.4Å; V735-E737 PolarHBondContact O-N 2.97Å; V735-R738 PolarHBondContact O-N 2.9Å; V735-V739 HydrophobicContact CG1-CG2 4.16Å; V735-V739 WeakPolarHBondContact O-CB 3.4Å; V735-V739 WeakPolarHBondContact O-CG2 3.35Å; V735-V739 PolarHBondContact O-N 2.93Å; V735-L745 HydrophobicContact CG1-CB 3.83Å; V735-T750 HydrophobicContact CG2-CG2 4.04Å; V735-V775 HydrophobicContact CB-CG2 4.31Å; V735-V775 HydrophobicContact CG1-CG1 4.26Å; V735-V775 HydrophobicContact CG1-CG2 3.63Å
736	L	94.9	Very high	93.7	Very high	5 Å²	5	14.5 Å²	14.5	3%	0.026	8%	0.077	C	C	.	.	H	α-helix	trans	-66.4	-37.5	179.5	-63.9	-178.7	0	0	0	111.9	I697 I700 L732 K740 V775 Y778	I697-L736 HydrophobicContact CG1-CD1 4.47Å; I700-L736 HydrophobicContact CD1-CD1 4.16Å; L732-L736 VanDerWaalsContact O-CB 3.26Å; L732-L736 WeakPolarHBondContact O-CB 3.41Å; L732-L736 WeakPolarHBondContact O-CG 3.4Å; L732-L736 PolarHBondContact O-N 2.78Å; L736-K740 WeakPolarHBondContact O-CB 3.05Å; L736-K740 PolarHBondContact O-N 3.29Å; L736-K740 VanDerWaalsContact O-N 3.07Å; L736-V775 HydrophobicContact CD2-CG2 4Å; L736-Y778 HydrophobicContact CD1-CD2 4.32Å; L736-Y778 HydrophobicContact CD2-CD1 3.66Å; L736-Y778 HydrophobicContact CD2-CD2 4.12Å; L736-Y778 HydrophobicContact CD2-CE1 4.31Å; L736-Y778 HydrophobicContact CD2-CG 3.55Å
737	E	92	Very high	93.6	Very high	54 Å²	54	14.5 Å²	14.5	25%	0.252	8%	0.077	S	C	.	.	H	α-helix	trans	-64.3	-41.1	172.3	-156.7	-161.2	158.4	0	0	111.5	Y584 R585 S733 V735 K740 A741	Y584-E737 HydrophobicContact CD1-CB 4.19Å; Y584-E737 HydrophobicContact CD1-CG 4.02Å; R585-E737 VanDerWaalsContact CD-OE1 3.24Å; R585-E737 WeakPolarHBondContact CD-OE1 3.23Å; R585-E737 WeakPolarHBondContact CG-OE1 3.48Å; R585-E737 IonicContact CZ-OE1 3.41Å; R585-E737 IonicContact NE-OE1 3.45Å; R585-E737 PolarHBondContact NE-OE1 2.79Å; R585-E737 IonicContact NH2-OE1 3.69Å; S733-E737 WeakPolarHBondContact O-CB 3.32Å; S733-E737 PolarHBondContact O-N 2.64Å; V735-E737 PolarHBondContact O-N 2.97Å; E737-K740 PolarHBondContact O-N 2.79Å; E737-A741 VanDerWaalsContact O-CB 3.25Å; E737-A741 WeakPolarHBondContact O-CB 3.3Å; E737-A741 PolarHBondContact O-N 3Å
738	R	91.1	Very high	93.5	Very high	19 Å²	19	14.6 Å²	14.6	7%	0.072	8%	0.078	C	C	.	.	H	α-helix	trans	-65.2	-46.4	176.9	-173.3	171.9	-161.7	-147.3	3	112.8	E495 Y584 T734 V735 K740 A741 E742 I744	E495-R738 IonicContact OE2-CZ 3.7Å; E495-R738 IonicContact OE2-NH1 2.71Å; E495-R738 PolarHBondContact OE2-NH1 2.75Å; E495-R738 IonicContact OE2-NH2 3.18Å; E495-R738 PolarHBondContact OE2-NH2 2.92Å; Y584-R738 HydrophobicContact CD2-CB 3.82Å; Y584-R738 HydrophobicContact CD2-CG 4.03Å; Y584-R738 HydrophobicContact CE2-CB 3.73Å; Y584-R738 HydrophobicContact CE2-CG 3.48Å; Y584-R738 VanDerWaalsContact CE2-CG 3.48Å; Y584-R738 HydrophobicContact CG-CB 4.27Å; T734-R738 WeakPolarHBondContact O-CB 3.43Å; T734-R738 PolarHBondContact O-N 2.72Å; T734-R738 VanDerWaalsContact O-N 3.13Å; V735-R738 PolarHBondContact O-N 2.9Å; R738-K740 VanDerWaalsContact C-N 3.32Å; R738-K740 PolarHBondContact O-N 3.07Å; R738-A741 PolarHBondContact O-N 3.24Å; R738-A741 VanDerWaalsContact O-N 3.08Å; R738-E742 IonicContact CZ-OE1 2.71Å; R738-E742 IonicContact NE-OE1 3.17Å; R738-E742 PolarHBondContact NE-OE1 2.66Å; R738-E742 IonicContact NH2-OE1 2.66Å; R738-E742 PolarHBondContact O-N 2.95Å; R738-I744 HydrophobicContact CG-CG1 4.41Å; R738-I744 VanDerWaalsContact NH2-CD1 3.34Å
739	V	91.3	Very high	93.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-54.5	-51.1	175.6	162.5	0	0	0	0	109.7	V498 V735 A741 G743 I744 L745 V775 Y778 I779 F788	V498-V739 HydrophobicContact CG2-CG1 3.96Å; V735-V739 HydrophobicContact CG1-CG2 4.16Å; V735-V739 WeakPolarHBondContact O-CB 3.4Å; V735-V739 WeakPolarHBondContact O-CG2 3.35Å; V735-V739 PolarHBondContact O-N 2.93Å; V739-A741 PolarHBondContact O-N 3.06Å; V739-G743 WeakPolarHBondContact O-CA 3.45Å; V739-G743 PolarHBondContact O-N 2.91Å; V739-I744 PolarHBondContact N-O 2.61Å; V739-L745 HydrophobicContact CG2-CB 3.66Å; V739-L745 HydrophobicContact CG2-CD2 4.42Å; V739-V775 HydrophobicContact CG2-CG1 4.46Å; V739-Y778 HydrophobicContact CG1-CD1 4.39Å; V739-Y778 HydrophobicContact CG1-CE1 4.31Å; V739-I779 HydrophobicContact CG1-CD1 4.42Å; V739-I779 HydrophobicContact CG1-CG1 4.14Å; V739-F788 HydrophobicContact CG1-CD1 4.35Å; V739-F788 HydrophobicContact CG1-CE1 3.44Å; V739-F788 VanDerWaalsContact CG1-CE1 3.44Å; V739-F788 HydrophobicContact CG1-CZ 3.65Å
740	K	87.9	Confident	93	Very high	90 Å²	90	15.7 Å²	15.7	39%	0.391	8%	0.084	S	C	.	.	H	α-helix	trans	-61.3	-30.7	178.1	-171.2	174.8	-177	174.5	0	113.4	L736 E737 R738 Y785 N787	L736-K740 WeakPolarHBondContact O-CB 3.05Å; L736-K740 PolarHBondContact O-N 3.29Å; L736-K740 VanDerWaalsContact O-N 3.07Å; E737-K740 PolarHBondContact O-N 2.79Å; R738-K740 VanDerWaalsContact C-N 3.32Å; R738-K740 PolarHBondContact O-N 3.07Å; K740-Y785 VanDerWaalsContact CE-OH 3.31Å; K740-Y785 WeakPolarHBondContact CE-OH 3.21Å; K740-Y785 HydrophobicContact CG-CE1 4Å; K740-Y785 WeakPolarHBondContact CG-OH 3.27Å; K740-N787 PolarHBondContact O-ND2 3.42Å
741	A	84.8	Confident	92.9	Very high	36 Å²	36	15.7 Å²	15.7	30%	0.298	8%	0.084	S	C	.	.	H	α-helix	trans	-90	-33.8	-176	0	0	0	0	0	115.2	Y584 E737 R738 V739	Y584-A741 HydrophobicContact CE1-CB 3.6Å; E737-A741 VanDerWaalsContact O-CB 3.25Å; E737-A741 WeakPolarHBondContact O-CB 3.3Å; E737-A741 PolarHBondContact O-N 3Å; R738-A741 PolarHBondContact O-N 3.24Å; R738-A741 VanDerWaalsContact O-N 3.08Å; V739-A741 PolarHBondContact O-N 3.06Å
742	E	83.9	Confident	92.8	Very high	41 Å²	41	16 Å²	16	19%	0.192	9%	0.085	C	C	.	.	H	α-helix	trans	-128.1	-8.6	-169.8	-77.9	-176.7	-82.6	0	0	114.9	K413 Y584 R738 I744	K413-E742 IonicContact NZ-OE2 2.74Å; K413-E742 PolarHBondContact NZ-OE2 3.34Å; Y584-E742 WeakPolarHBondContact CE2-OE1 3.17Å; Y584-E742 VanDerWaalsContact OH-CD 3.25Å; Y584-E742 VanDerWaalsContact OH-CG 3.27Å; Y584-E742 WeakPolarHBondContact OH-CG 3.5Å; Y584-E742 PolarHBondContact OH-OE1 3.39Å; R738-E742 IonicContact CZ-OE1 2.71Å; R738-E742 IonicContact NE-OE1 3.17Å; R738-E742 PolarHBondContact NE-OE1 2.66Å; R738-E742 IonicContact NH2-OE1 2.66Å; R738-E742 PolarHBondContact O-N 2.95Å; E742-I744 HydrophobicContact CB-CD1 3.93Å; E742-I744 HydrophobicContact CB-CG1 3.72Å; E742-I744 HydrophobicContact CG-CD1 4.49Å; E742-I744 PolarHBondContact O-N 2.85Å
743	G	86.6	Confident	92.5	Very high	9 Å²	9	17.5 Å²	17.5	9%	0.093	10%	0.096	C	C	.	.	S	Bend	trans	71.9	14.2	-174.6	0	0	0	0	0	114.5	V498 V739 N787	V498-G743 VanDerWaalsContact CG2-O 3.31Å; V498-G743 WeakPolarHBondContact CG2-O 3.5Å; V498-G743 PolarHBondContact N-O 3.05Å; V739-G743 WeakPolarHBondContact O-CA 3.45Å; V739-G743 PolarHBondContact O-N 2.91Å; G743-N787 WeakPolarHBondContact CA-O 3.35Å
744	I	90.1	Very high	92.4	Very high	20 Å²	20	17.5 Å²	17.5	10%	0.103	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	150.1	-176.8	69.3	-168.7	0	0	0	111.9	E495 L496 E497 R738 V739 E742	E495-I744 HydrophobicContact CG-CB 4.48Å; E495-I744 HydrophobicContact CG-CD1 4.36Å; L496-I744 CarbonylContact O-C 3.58Å; L496-I744 VanDerWaalsContact O-CA 3.23Å; L496-I744 WeakPolarHBondContact O-CA 3.39Å; L496-I744 WeakPolarHBondContact O-CB 3.4Å; E497-I744 HydrophobicContact CG-CG2 4.2Å; R738-I744 HydrophobicContact CG-CG1 4.41Å; R738-I744 VanDerWaalsContact NH2-CD1 3.34Å; V739-I744 PolarHBondContact N-O 2.61Å; E742-I744 HydrophobicContact CB-CD1 3.93Å; E742-I744 HydrophobicContact CB-CG1 3.72Å; E742-I744 HydrophobicContact CG-CD1 4.49Å; E742-I744 PolarHBondContact O-N 2.85Å
745	L	93.2	Very high	92.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	160.2	176.3	60.9	122.1	0	0	0	111.3	E495 L496 V498 L501 V735 V739 V747 V775 I779	E495-L745 WeakPolarHBondContact CA-O 3.39Å; L496-L745 HydrophobicContact CB-CD1 4.37Å; L496-L745 HydrophobicContact CB-CG 4.13Å; L496-L745 HydrophobicContact CD1-CD1 4.03Å; L496-L745 PolarHBondContact N-O 3.48Å; L496-L745 PolarHBondContact O-N 3.37Å; V498-L745 HydrophobicContact CG2-CD2 4.29Å; L501-L745 HydrophobicContact CB-CD2 4.35Å; L501-L745 HydrophobicContact CD1-CD1 3.95Å; L501-L745 HydrophobicContact CD1-CD2 4.41Å; L501-L745 HydrophobicContact CD2-CD2 4.34Å; V735-L745 HydrophobicContact CG1-CB 3.83Å; V739-L745 HydrophobicContact CG2-CB 3.66Å; V739-L745 HydrophobicContact CG2-CD2 4.42Å; L745-V747 HydrophobicContact CD1-CG2 4.22Å; L745-V775 HydrophobicContact CB-CG1 4.48Å; L745-V775 HydrophobicContact CD1-CG1 4.35Å; L745-V775 HydrophobicContact CD2-CG1 4.34Å; L745-I779 HydrophobicContact CD2-CD1 4.17Å
746	D	93.7	Very high	92.2	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.016	10%	0.1	C	C	.	.			trans	-159.4	84	175.1	-178.1	-15.9	0	0	0	108	K409 E495 Q749 T750	K409-D746 WeakPolarHBondContact CE-OD2 3.2Å; K409-D746 IonicContact NZ-OD2 2.79Å; K409-D746 PolarHBondContact NZ-OD2 3.5Å; E495-D746 HydrophobicContact CB-CB 4.14Å; E495-D746 HydrophobicContact CG-CB 4.43Å; D746-Q749 VanDerWaalsContact OD1-CB 3.3Å; D746-Q749 WeakPolarHBondContact OD1-CB 3.31Å; D746-Q749 PolarHBondContact OD1-N 2.76Å; D746-Q749 WeakPolarHBondContact OD2-CB 3.36Å; D746-Q749 WeakPolarHBondContact OD2-CG 3.4Å; D746-T750 VanDerWaalsContact O-CB 3.3Å; D746-T750 WeakPolarHBondContact O-CB 3.26Å; D746-T750 PolarHBondContact O-N 3.16Å; D746-T750 PolarHBondContact O-OG1 3.32Å
747	V	96.4	Very high	92.2	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	10%	0.102	C	C	.	.	H	α-helix	trans	-68	-43.4	-177.6	-177.2	0	0	0	0	110.3	L745 T750 V751 Y768 C771 Y772	L745-V747 HydrophobicContact CD1-CG2 4.22Å; V747-T750 PolarHBondContact O-N 3.2Å; V747-V751 HydrophobicContact CG1-CG2 4.33Å; V747-V751 WeakPolarHBondContact O-CG2 3.36Å; V747-V751 PolarHBondContact O-N 3.14Å; V747-Y768 HydrophobicContact CG1-CD2 4.29Å; V747-Y768 HydrophobicContact CG1-CE2 3.82Å; V747-C771 HydrophobicContact CG1-CB 3.65Å; V747-Y772 HydrophobicContact CB-CD1 4.46Å; V747-Y772 HydrophobicContact CB-CD2 4.42Å; V747-Y772 HydrophobicContact CB-CE1 4.01Å; V747-Y772 HydrophobicContact CB-CE2 3.96Å; V747-Y772 HydrophobicContact CG1-CD2 4.19Å; V747-Y772 HydrophobicContact CG1-CE2 4.02Å; V747-Y772 HydrophobicContact CG2-CD1 3.9Å; V747-Y772 HydrophobicContact CG2-CE1 3.74Å; V747-Y772 HydrophobicContact CG2-CE2 4.42Å; V747-Y772 HydrophobicContact CG2-CG 4.32Å
748	F	95.4	Very high	92.4	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.009	9%	0.09	C	C	.	.	H	α-helix	trans	-56.2	-57.5	-178.4	-175.7	-89.8	0	0	0	112.6	F491 T494 E523 K526 L527 T750 V751 K752 Y768	F491-F748 HydrophobicContact CB-CE1 3.86Å; F491-F748 AromaticContact CD1-CE1 3.55Å; F491-F748 HydrophobicContact CD1-CE1 3.55Å; F491-F748 AromaticContact CD1-CZ 3.46Å; F491-F748 HydrophobicContact CD1-CZ 3.46Å; F491-F748 VanDerWaalsContact CD1-CZ 3.46Å; F491-F748 HydrophobicContact CE1-CE1 4.41Å; F491-F748 HydrophobicContact CE1-CZ 4.08Å; F491-F748 AromaticContact CG-CE1 3.86Å; F491-F748 HydrophobicContact CG-CE1 3.86Å; F491-F748 HydrophobicContact CG-CZ 4.25Å; T494-F748 HydrophobicContact CG2-CB 3.95Å; T494-F748 HydrophobicContact CG2-CD1 4.08Å; T494-F748 HydrophobicContact CG2-CG 3.99Å; E523-F748 HydrophobicContact CB-CD2 4.14Å; E523-F748 HydrophobicContact CB-CE2 4.36Å; E523-F748 HydrophobicContact CG-CD2 4.35Å; K526-F748 HydrophobicContact CB-CE2 3.97Å; K526-F748 HydrophobicContact CB-CZ 3.92Å; K526-F748 HydrophobicContact CD-CE2 4.46Å; K526-F748 HydrophobicContact CD-CZ 4.34Å; L527-F748 HydrophobicContact CD1-CD2 4.24Å; L527-F748 HydrophobicContact CD1-CE2 4.28Å; L527-F748 HydrophobicContact CD2-CD2 3.98Å; L527-F748 HydrophobicContact CD2-CE1 4.16Å; L527-F748 HydrophobicContact CD2-CE2 3.58Å; L527-F748 HydrophobicContact CD2-CG 4.43Å; L527-F748 HydrophobicContact CD2-CZ 3.65Å; L527-F748 HydrophobicContact CG-CD2 4.02Å; L527-F748 HydrophobicContact CG-CE2 3.58Å; L527-F748 HydrophobicContact CG-CZ 4.11Å; F748-T750 VanDerWaalsContact C-N 3.29Å; F748-T750 PolarHBondContact O-N 2.84Å; F748-V751 PolarHBondContact O-N 3.27Å; F748-K752 HydrophobicContact CE1-CD 3.73Å; F748-K752 HydrophobicContact CZ-CD 4.3Å; F748-K752 VanDerWaalsContact O-CB 3.26Å; F748-K752 WeakPolarHBondContact O-CB 3.27Å; F748-K752 PolarHBondContact O-N 3.13Å; F748-Y768 WeakPolarHBondContact CA-OH 3.3Å; F748-Y768 WeakPolarHBondContact CB-OH 3.34Å
749	Q	93	Very high	92.7	Very high	5 Å²	5	15.9 Å²	15.9	2%	0.023	9%	0.087	C	C	.	.	H	α-helix	trans	-72.4	-24.8	-177.8	-67	-73.1	-0.7	0	0	112.6	I405 E487 D746 S753	I405-Q749 HydrophobicContact CD1-CB 4.43Å; I405-Q749 VanDerWaalsContact CD1-CD 3.45Å; I405-Q749 HydrophobicContact CD1-CG 3.76Å; I405-Q749 HydrophobicContact CG1-CB 4.1Å; I405-Q749 HydrophobicContact CG1-CG 3.95Å; E487-Q749 PolarHBondContact OE1-NE2 3.05Å; E487-Q749 PolarHBondContact OE1-OE1 3.3Å; D746-Q749 VanDerWaalsContact OD1-CB 3.3Å; D746-Q749 WeakPolarHBondContact OD1-CB 3.31Å; D746-Q749 PolarHBondContact OD1-N 2.76Å; D746-Q749 WeakPolarHBondContact OD2-CB 3.36Å; D746-Q749 WeakPolarHBondContact OD2-CG 3.4Å; Q749-S753 VanDerWaalsContact O-CB 3.3Å; Q749-S753 WeakPolarHBondContact O-CB 3.28Å; Q749-S753 PolarHBondContact O-N 3.02Å
750	T	95.1	Very high	93	Very high	17 Å²	17	18.5 Å²	18.5	10%	0.104	10%	0.099	C	C	.	.	H	α-helix	trans	-64.3	-54.2	172.4	-58.9	0	0	0	0	109.4	A731 T734 V735 D746 V747 F748 K752 S753 L754	A731-T750 HydrophobicContact CB-CG2 4.22Å; T734-T750 HydrophobicContact CG2-CG2 4.12Å; V735-T750 HydrophobicContact CG2-CG2 4.04Å; D746-T750 VanDerWaalsContact O-CB 3.3Å; D746-T750 WeakPolarHBondContact O-CB 3.26Å; D746-T750 PolarHBondContact O-N 3.16Å; D746-T750 PolarHBondContact O-OG1 3.32Å; V747-T750 PolarHBondContact O-N 3.2Å; F748-T750 VanDerWaalsContact C-N 3.29Å; F748-T750 PolarHBondContact O-N 2.84Å; T750-K752 VanDerWaalsContact C-N 3.3Å; T750-K752 PolarHBondContact O-N 3.43Å; T750-S753 WeakPolarHBondContact O-CB 3.45Å; T750-S753 PolarHBondContact O-N 3.2Å; T750-S753 VanDerWaalsContact O-N 3.15Å; T750-L754 WeakPolarHBondContact O-CG 3.25Å; T750-L754 PolarHBondContact O-N 2.94Å
751	V	96.9	Very high	93.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63	-37	178.3	177.1	0	0	0	0	111.8	L527 A731 V747 F748 L754 R755 V762 Y768	L527-V751 HydrophobicContact CD1-CB 4.19Å; L527-V751 HydrophobicContact CD1-CG1 3.86Å; A731-V751 HydrophobicContact CB-CG2 4.07Å; V747-V751 HydrophobicContact CG1-CG2 4.33Å; V747-V751 WeakPolarHBondContact O-CG2 3.36Å; V747-V751 PolarHBondContact O-N 3.14Å; F748-V751 PolarHBondContact O-N 3.27Å; V751-L754 PolarHBondContact O-N 2.9Å; V751-R755 WeakPolarHBondContact O-CG 3.33Å; V751-R755 PolarHBondContact O-N 3.34Å; V751-V762 HydrophobicContact CB-CG2 4.48Å; V751-V762 HydrophobicContact CG1-CB 3.7Å; V751-V762 HydrophobicContact CG1-CG1 4.33Å; V751-V762 HydrophobicContact CG1-CG2 3.9Å; V751-V762 HydrophobicContact CG2-CB 4.37Å; V751-V762 HydrophobicContact CG2-CG2 3.82Å; V751-Y768 HydrophobicContact CB-CD2 4.46Å; V751-Y768 HydrophobicContact CB-CE2 4.32Å; V751-Y768 HydrophobicContact CG1-CD2 4.46Å; V751-Y768 HydrophobicContact CG2-CD2 4.1Å; V751-Y768 HydrophobicContact CG2-CE2 4.16Å
752	K	94.4	Very high	94.1	Very high	7 Å²	7	12.5 Å²	12.5	3%	0.03	7%	0.066	C	C	.	.	H	α-helix	trans	-61	-44.9	172.7	-177.9	154	173.6	-69	0	112.8	E487 F491 L527 I530 F748 T750 R755 L756	E487-K752 IonicContact OE1-NZ 2.68Å; E487-K752 PolarHBondContact OE1-NZ 2.92Å; E487-K752 IonicContact OE2-NZ 3.04Å; E487-K752 PolarHBondContact OE2-NZ 3.32Å; F491-K752 HydrophobicContact CD2-CD 4.47Å; F491-K752 HydrophobicContact CE1-CD 4.48Å; F491-K752 HydrophobicContact CE2-CD 4.47Å; F491-K752 HydrophobicContact CZ-CD 4.47Å; L527-K752 HydrophobicContact CD2-CB 3.7Å; L527-K752 HydrophobicContact CD2-CD 4.41Å; L527-K752 HydrophobicContact CD2-CG 4.41Å; I530-K752 HydrophobicContact CD1-CB 4.42Å; I530-K752 HydrophobicContact CD1-CD 3.88Å; I530-K752 HydrophobicContact CD1-CG 3.69Å; F748-K752 HydrophobicContact CE1-CD 3.73Å; F748-K752 HydrophobicContact CZ-CD 4.3Å; F748-K752 VanDerWaalsContact O-CB 3.26Å; F748-K752 WeakPolarHBondContact O-CB 3.27Å; F748-K752 PolarHBondContact O-N 3.13Å; T750-K752 VanDerWaalsContact C-N 3.3Å; T750-K752 PolarHBondContact O-N 3.43Å; K752-R755 PolarHBondContact O-N 2.93Å; K752-L756 HydrophobicContact CG-CD1 4.46Å; K752-L756 WeakPolarHBondContact O-CG 3.37Å; K752-L756 PolarHBondContact O-N 3.33Å
753	S	92.4	Very high	94.7	Very high	34 Å²	34	14.8 Å²	14.8	24%	0.238	8%	0.077	C	C	.	.	H	α-helix	trans	-62	-42.9	175.4	-172.5	0	0	0	0	111.5	Q749 T750 R755 L756 Q757	Q749-S753 VanDerWaalsContact O-CB 3.3Å; Q749-S753 WeakPolarHBondContact O-CB 3.28Å; Q749-S753 PolarHBondContact O-N 3.02Å; T750-S753 WeakPolarHBondContact O-CB 3.45Å; T750-S753 PolarHBondContact O-N 3.2Å; T750-S753 VanDerWaalsContact O-N 3.15Å; S753-R755 PolarHBondContact O-N 3.3Å; S753-L756 PolarHBondContact O-N 3.11Å; S753-Q757 WeakPolarHBondContact O-CG 3.14Å; S753-Q757 PolarHBondContact O-N 3.46Å; S753-Q757 PolarHBondContact O-NE2 3.5Å; S753-Q757 PolarHBondContact OG-NE2 3.24Å; S753-Q757 VanDerWaalsContact OG-NE2 3.13Å
754	L	95.6	Very high	95.2	Very high	4 Å²	4	16.8 Å²	16.8	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-60.5	-44.3	175.1	-63.6	177.1	0	0	0	112	I581 G727 C730 A731 T750 V751 L756 Q757 R758 M761	I581-L754 HydrophobicContact CG2-CD2 3.26Å; G727-L754 WeakPolarHBondContact O-CD1 3.38Å; C730-L754 HydrophobicContact CB-CD1 4.22Å; C730-L754 HydrophobicContact CB-CD2 4.11Å; A731-L754 HydrophobicContact CB-CD1 3.72Å; T750-L754 WeakPolarHBondContact O-CG 3.25Å; T750-L754 PolarHBondContact O-N 2.94Å; V751-L754 PolarHBondContact O-N 2.9Å; L754-L756 VanDerWaalsContact C-N 3.3Å; L754-L756 PolarHBondContact O-N 3.13Å; L754-Q757 CarbonylContact O-C 3.48Å; L754-Q757 PolarHBondContact O-N 2.96Å; L754-R758 PolarHBondContact O-N 3.4Å; L754-M761 HydrophobicContact CB-CB 3.71Å; L754-M761 HydrophobicContact CB-CE 4.2Å; L754-M761 HydrophobicContact CB-CG 4.11Å; L754-M761 HydrophobicContact CD1-CE 4.45Å; L754-M761 HydrophobicContact CD2-CE 4.1Å; L754-M761 HydrophobicContact CG-CE 4.49Å
755	R	95.6	Very high	95.5	Very high	22 Å²	22	18.3 Å²	18.3	8%	0.083	10%	0.095	C	C	.	.	H	α-helix	trans	-66.3	-28.3	178.1	-76.1	-173.7	173.2	-165	3.7	114.1	L527 V751 K752 S753 Q757 R758 M761 V762	L527-R755 PolarHBondContact O-NH1 2.97Å; V751-R755 WeakPolarHBondContact O-CG 3.33Å; V751-R755 PolarHBondContact O-N 3.34Å; K752-R755 PolarHBondContact O-N 2.93Å; S753-R755 PolarHBondContact O-N 3.3Å; R755-Q757 VanDerWaalsContact C-N 3.3Å; R755-R758 WeakPolarHBondContact CA-O 3.32Å; R755-M761 HydrophobicContact CG-CB 4.15Å; R755-M761 VanDerWaalsContact CG-O 3.24Å; R755-M761 WeakPolarHBondContact CG-O 3.29Å; R755-M761 PolarHBondContact NE-O 3.29Å; R755-V762 PolarHBondContact NH2-O 3.2Å
756	L	92.6	Very high	95.6	Very high	27 Å²	27	22.8 Å²	22.8	14%	0.141	12%	0.116	C	C	.	.	H	α-helix	trans	-73.1	-23.6	171.8	-70.8	170.5	0	0	0	112.3	F402 I530 Y557 K752 S753 L754	F402-L756 HydrophobicContact CE1-CB 4.14Å; F402-L756 WeakPolarHBondContact CE1-O 3.4Å; I530-L756 HydrophobicContact CG2-CD2 4.12Å; Y557-L756 WeakPolarHBondContact CE2-O 3.29Å; K752-L756 HydrophobicContact CG-CD1 4.46Å; K752-L756 WeakPolarHBondContact O-CG 3.37Å; K752-L756 PolarHBondContact O-N 3.33Å; S753-L756 PolarHBondContact O-N 3.11Å; L754-L756 VanDerWaalsContact C-N 3.3Å; L754-L756 PolarHBondContact O-N 3.13Å
757	Q	94.4	Very high	95.8	Very high	15 Å²	15	23.7 Å²	23.7	7%	0.07	12%	0.12	C	C	.	.	H	α-helix	trans	-95.1	-32.3	179.2	-66.6	174.5	70	0	0	113.4	Y557 N560 I581 S753 L754 R755	Y557-Q757 WeakPolarHBondContact CD2-O 3.42Å; N560-Q757 PolarHBondContact ND2-O 2.77Å; N560-Q757 PolarHBondContact OD1-O 2.74Å; I581-Q757 HydrophobicContact CD1-CB 3.75Å; S753-Q757 WeakPolarHBondContact O-CG 3.14Å; S753-Q757 PolarHBondContact O-N 3.46Å; S753-Q757 PolarHBondContact O-NE2 3.5Å; S753-Q757 PolarHBondContact OG-NE2 3.24Å; S753-Q757 VanDerWaalsContact OG-NE2 3.13Å; L754-Q757 CarbonylContact O-C 3.48Å; L754-Q757 PolarHBondContact O-N 2.96Å; R755-Q757 VanDerWaalsContact C-N 3.3Å
758	R	97.2	Very high	95.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-145.7	134.7	173.5	-176.2	173	175.4	79.7	1.8	110.7	N577 S579 I581 A721 G722 L754 R755 M761	N577-R758 PolarHBondContact OD1-NH1 2.94Å; N577-R758 PolarHBondContact OD1-NH2 2.71Å; S579-R758 PolarHBondContact OG-NH1 2.76Å; I581-R758 HydrophobicContact CD1-CB 4.08Å; A721-R758 PolarHBondContact O-NH2 2.89Å; G722-R758 WeakPolarHBondContact O-CD 3.49Å; G722-R758 PolarHBondContact O-NE 2.95Å; L754-R758 PolarHBondContact O-N 3.4Å; R755-R758 WeakPolarHBondContact CA-O 3.32Å; R758-M761 HydrophobicContact CB-CG 3.79Å; R758-M761 HydrophobicContact CB-SD 4.22Å; R758-M761 HydrophobicContact CG-CG 4.33Å; R758-M761 HydrophobicContact CG-SD 4.39Å; R758-M761 VanDerWaalsContact O-CG 3.27Å; R758-M761 WeakPolarHBondContact O-CG 3.31Å
759	P	96.5	Very high	95.9	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	144.7	178	-27.2	34.7	0	0	0	113.5	I532 M537 I555 Y557 M761	I532-P759 HydrophobicContact CG2-CG 4.34Å; M537-P759 HydrophobicContact CE-CG 3.92Å; M537-P759 HydrophobicContact SD-CG 4.15Å; I555-P759 WeakPolarHBondContact O-CD 3.34Å; Y557-P759 HydrophobicContact CE1-CG 4.07Å; Y557-P759 HydrophobicContact CE2-CG 4.26Å; P759-M761 PolarHBondContact O-N 3.45Å; P759-M761 VanDerWaalsContact O-N 3.11Å
760	H	96.6	Very high	96.1	Very high	55 Å²	55	27.9 Å²	27.9	26%	0.255	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	16.4	172.3	-57.3	-82.7	0	0	0	117.4	I532 I554 A723 V762 Q763	I532-H760 VanDerWaalsContact CD1-NE2 3.28Å; I532-H760 WeakPolarHBondContact CD1-NE2 3.18Å; I554-H760 HydrophobicContact CD1-CB 4.39Å; I554-H760 HydrophobicContact CG1-CB 4.42Å; A723-H760 HydrophobicContact CB-CB 4.2Å; H760-V762 PolarHBondContact O-N 3.36Å; H760-Q763 HydrophobicContact CB-CG 4.42Å; H760-Q763 WeakPolarHBondContact O-CA 3.43Å; H760-Q763 PolarHBondContact O-N 3.01Å
761	M	98.2	Very high	96.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-55	130	172.8	-68.8	-73.5	-91.4	0	0	111.4	I581 A592 A723 T726 C730 L754 R755 R758 P759	I581-M761 HydrophobicContact CD1-CE 3.96Å; I581-M761 HydrophobicContact CG1-CE 4.15Å; A592-M761 HydrophobicContact CB-CE 4.01Å; A592-M761 HydrophobicContact CB-SD 4.43Å; A723-M761 WeakPolarHBondContact O-CA 3.36Å; T726-M761 HydrophobicContact CG2-CE 4.49Å; T726-M761 HydrophobicContact CG2-SD 4.49Å; C730-M761 HydrophobicContact CB-CE 4.42Å; L754-M761 HydrophobicContact CB-CB 3.71Å; L754-M761 HydrophobicContact CB-CE 4.2Å; L754-M761 HydrophobicContact CB-CG 4.11Å; L754-M761 HydrophobicContact CD1-CE 4.45Å; L754-M761 HydrophobicContact CD2-CE 4.1Å; L754-M761 HydrophobicContact CG-CE 4.49Å; R755-M761 HydrophobicContact CG-CB 4.15Å; R755-M761 VanDerWaalsContact CG-O 3.24Å; R755-M761 WeakPolarHBondContact CG-O 3.29Å; R755-M761 PolarHBondContact NE-O 3.29Å; R758-M761 HydrophobicContact CB-CG 3.79Å; R758-M761 HydrophobicContact CB-SD 4.22Å; R758-M761 HydrophobicContact CG-CG 4.33Å; R758-M761 HydrophobicContact CG-SD 4.39Å; R758-M761 VanDerWaalsContact O-CG 3.27Å; R758-M761 WeakPolarHBondContact O-CG 3.31Å; P759-M761 PolarHBondContact O-N 3.45Å; P759-M761 VanDerWaalsContact O-N 3.11Å
762	V	98.1	Very high	96.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	53.4	87	-164.7	-174.8	0	0	0	0	110	A723 G727 A731 V751 R755 H760 Q767	A723-V762 PolarHBondContact O-N 3.23Å; G727-V762 VanDerWaalsContact C-CG2 3.46Å; A731-V762 HydrophobicContact CB-CG2 4.41Å; V751-V762 HydrophobicContact CB-CG2 4.48Å; V751-V762 HydrophobicContact CG1-CB 3.7Å; V751-V762 HydrophobicContact CG1-CG1 4.33Å; V751-V762 HydrophobicContact CG1-CG2 3.9Å; V751-V762 HydrophobicContact CG2-CB 4.37Å; V751-V762 HydrophobicContact CG2-CG2 3.82Å; R755-V762 PolarHBondContact NH2-O 3.2Å; H760-V762 PolarHBondContact O-N 3.36Å; V762-Q767 HydrophobicContact CG1-CB 3.78Å
763	Q	96.5	Very high	96.2	Very high	89 Å²	89	30.6 Å²	30.6	42%	0.416	15%	0.15	S	C	.	.			trans	-84.9	-31.3	-158.1	-173.2	173.7	-0.7	0	0	114	H760	H760-Q763 HydrophobicContact CB-CG 4.42Å; H760-Q763 WeakPolarHBondContact O-CA 3.43Å; H760-Q763 PolarHBondContact O-N 3.01Å
764	T	97.1	Very high	96.4	Very high	50 Å²	50	29 Å²	29	31%	0.307	14%	0.139	S	C	.	.	S	Bend	trans	-116.5	162.2	-177.2	65.1	0	0	0	0	112.3	F524 E766 Q767 Y768	F524-T764 WeakPolarHBondContact CE2-O 3.45Å; F524-T764 WeakPolarHBondContact CZ-O 3.4Å; T764-E766 VanDerWaalsContact C-N 3.34Å; T764-Q767 PolarHBondContact O-N 3.41Å; T764-Q767 VanDerWaalsContact OG1-CG 3.3Å; T764-Q767 WeakPolarHBondContact OG1-CG 3.49Å; T764-Q767 PolarHBondContact OG1-N 3.46Å; T764-Y768 PolarHBondContact O-N 3.29Å
765	L	96.1	Very high	96.4	Very high	53 Å²	53	28.8 Å²	28.8	28%	0.277	14%	0.138	S	C	.	.	H	α-helix	trans	-57.8	-46.9	173.7	177.7	68.5	0	0	0	111.1	L520 E521 F524 Q767 Y768 E769	L520-L765 HydrophobicContact CD2-CD1 4.11Å; L520-L765 HydrophobicContact CG-CD1 4.05Å; E521-L765 HydrophobicContact CG-CD1 4.12Å; E521-L765 HydrophobicContact CG-CD2 3.55Å; F524-L765 HydrophobicContact CB-CD1 3.65Å; F524-L765 HydrophobicContact CD1-CB 4.15Å; F524-L765 HydrophobicContact CD1-CD1 4.19Å; F524-L765 HydrophobicContact CE1-CB 4.37Å; F524-L765 HydrophobicContact CG-CD1 3.98Å; L765-Q767 PolarHBondContact O-N 3.24Å; L765-Y768 CarbonylContact O-C 3.56Å; L765-Y768 WeakPolarHBondContact O-CA 3.47Å; L765-Y768 WeakPolarHBondContact O-CB 3.27Å; L765-Y768 PolarHBondContact O-N 2.87Å; L765-E769 PolarHBondContact O-N 3.25Å
766	E	96.3	Very high	96.3	Very high	94 Å²	94	31 Å²	31	44%	0.439	15%	0.15	S	C	.	.	H	α-helix	trans	-55.1	-39.2	176.6	-56.6	163.7	171.1	0	0	111.7	G688 I689 T764 Y768 E769 F770	G688-E766 WeakPolarHBondContact CA-OE2 3.44Å; I689-E766 HydrophobicContact CD1-CB 4.31Å; I689-E766 HydrophobicContact CG1-CB 4.45Å; I689-E766 HydrophobicContact CG2-CB 3.81Å; T764-E766 VanDerWaalsContact C-N 3.34Å; E766-Y768 VanDerWaalsContact C-N 3.29Å; E766-Y768 PolarHBondContact O-N 2.83Å; E766-E769 WeakPolarHBondContact O-CB 3.32Å; E766-E769 PolarHBondContact O-N 3.45Å; E766-F770 WeakPolarHBondContact O-CB 3.38Å; E766-F770 PolarHBondContact O-N 3.46Å
767	Q	97.8	Very high	96.4	Very high	21 Å²	21	32.1 Å²	32.1	10%	0.098	15%	0.154	C	C	.	.	H	α-helix	trans	-68.9	-27	176.5	-74.6	166.8	15.6	0	0	112.8	W684 I689 V762 T764 L765 C771	W684-Q767 HydrophobicContact CH2-CG 4.37Å; W684-Q767 HydrophobicContact CZ2-CG 3.98Å; I689-Q767 HydrophobicContact CG2-CG 4.3Å; V762-Q767 HydrophobicContact CG1-CB 3.78Å; T764-Q767 PolarHBondContact O-N 3.41Å; T764-Q767 VanDerWaalsContact OG1-CG 3.3Å; T764-Q767 WeakPolarHBondContact OG1-CG 3.49Å; T764-Q767 PolarHBondContact OG1-N 3.46Å; L765-Q767 PolarHBondContact O-N 3.24Å; Q767-C771 PolarHBondContact O-N 2.85Å; Q767-C771 PolarHBondContact O-SG 3.38Å
768	Y	97.8	Very high	96.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-79.7	-38.6	173.5	-172.8	-112.3	0	0	0	111.6	L520 E523 F524 L527 V747 F748 V751 T764 L765 E766 C771 Y772	L520-Y768 HydrophobicContact CD1-CD1 3.6Å; L520-Y768 HydrophobicContact CD1-CE1 3.72Å; L520-Y768 HydrophobicContact CG-CD1 4.17Å; E523-Y768 HydrophobicContact CB-CE1 4Å; E523-Y768 PolarHBondContact OE2-OH 2.96Å; F524-Y768 HydrophobicContact CB-CD1 4.09Å; F524-Y768 HydrophobicContact CD2-CD1 4.06Å; F524-Y768 HydrophobicContact CD2-CD2 4.34Å; F524-Y768 AromaticContact CD2-CG 3.74Å; F524-Y768 HydrophobicContact CD2-CG 3.74Å; F524-Y768 HydrophobicContact CE2-CG 4.46Å; L527-Y768 HydrophobicContact CD1-CD2 3.85Å; L527-Y768 HydrophobicContact CD1-CE2 3.47Å; L527-Y768 VanDerWaalsContact CD1-CE2 3.47Å; V747-Y768 HydrophobicContact CG1-CD2 4.29Å; V747-Y768 HydrophobicContact CG1-CE2 3.82Å; F748-Y768 WeakPolarHBondContact CA-OH 3.3Å; F748-Y768 WeakPolarHBondContact CB-OH 3.34Å; V751-Y768 HydrophobicContact CB-CD2 4.46Å; V751-Y768 HydrophobicContact CB-CE2 4.32Å; V751-Y768 HydrophobicContact CG1-CD2 4.46Å; V751-Y768 HydrophobicContact CG2-CD2 4.1Å; V751-Y768 HydrophobicContact CG2-CE2 4.16Å; T764-Y768 PolarHBondContact O-N 3.29Å; L765-Y768 CarbonylContact O-C 3.56Å; L765-Y768 WeakPolarHBondContact O-CA 3.47Å; L765-Y768 WeakPolarHBondContact O-CB 3.27Å; L765-Y768 PolarHBondContact O-N 2.87Å; E766-Y768 VanDerWaalsContact C-N 3.29Å; E766-Y768 PolarHBondContact O-N 2.83Å; Y768-C771 WeakPolarHBondContact O-CB 3.31Å; Y768-C771 PolarHBondContact O-N 2.83Å; Y768-Y772 HydrophobicContact CD1-CE2 4.47Å; Y768-Y772 HydrophobicContact CE1-CD2 4.35Å; Y768-Y772 AromaticContact CE1-CE2 3.76Å; Y768-Y772 HydrophobicContact CE1-CE2 3.76Å; Y768-Y772 HydrophobicContact CE2-CE2 4.42Å; Y768-Y772 AromaticContact CZ-CE2 3.71Å; Y768-Y772 PolarHBondContact O-N 2.91Å
769	E	95.8	Very high	96	Very high	97 Å²	97	33.4 Å²	33.4	45%	0.453	16%	0.159	S	C	.	.	H	α-helix	trans	-57.8	-47.7	169	-165.1	178.5	171.3	0	0	111.4	L520 L765 E766 C771 Y772 K773	L520-E769 HydrophobicContact CD2-CB 3.68Å; L520-E769 HydrophobicContact CD2-CG 3.75Å; L765-E769 PolarHBondContact O-N 3.25Å; E766-E769 WeakPolarHBondContact O-CB 3.32Å; E766-E769 PolarHBondContact O-N 3.45Å; E769-C771 VanDerWaalsContact C-N 3.27Å; E769-C771 PolarHBondContact O-N 3.37Å; E769-Y772 WeakPolarHBondContact O-CB 3.22Å; E769-Y772 PolarHBondContact O-N 3.3Å; E769-K773 PolarHBondContact O-N 2.91Å
770	F	97.3	Very high	95.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.1	-35.3	177.5	-167.3	-110.5	0	0	0	111.9	I689 P690 D692 M696 T728 L732 E766 Y772 K773 V774	I689-F770 HydrophobicContact CB-CB 4.28Å; I689-F770 HydrophobicContact CB-CD2 4.18Å; I689-F770 HydrophobicContact CB-CG 4.27Å; I689-F770 HydrophobicContact CD1-CB 3.99Å; I689-F770 HydrophobicContact CD1-CD2 4.15Å; I689-F770 HydrophobicContact CD1-CG 4.47Å; I689-F770 HydrophobicContact CG2-CB 4.1Å; I689-F770 HydrophobicContact CG2-CG 4.48Å; P690-F770 HydrophobicContact CB-CE2 3.74Å; P690-F770 HydrophobicContact CB-CZ 3.63Å; P690-F770 HydrophobicContact CG-CE1 3.97Å; P690-F770 HydrophobicContact CG-CE2 3.95Å; P690-F770 HydrophobicContact CG-CZ 3.49Å; P690-F770 VanDerWaalsContact CG-CZ 3.49Å; D692-F770 WeakPolarHBondContact O-CE2 3.46Å; D692-F770 WeakPolarHBondContact O-CZ 3.29Å; M696-F770 HydrophobicContact CB-CE1 4.34Å; M696-F770 HydrophobicContact CB-CZ 4.41Å; M696-F770 HydrophobicContact CG-CE1 4.29Å; T728-F770 HydrophobicContact CG2-CD1 3.92Å; L732-F770 HydrophobicContact CD1-CD1 4.49Å; L732-F770 HydrophobicContact CD1-CE1 4.44Å; E766-F770 WeakPolarHBondContact O-CB 3.38Å; E766-F770 PolarHBondContact O-N 3.46Å; F770-Y772 VanDerWaalsContact C-N 3.29Å; F770-Y772 PolarHBondContact O-N 3.32Å; F770-K773 PolarHBondContact O-N 2.78Å; F770-V774 HydrophobicContact CD1-CG2 3.83Å; F770-V774 HydrophobicContact CD2-CG2 4.06Å; F770-V774 HydrophobicContact CE1-CG2 3.45Å; F770-V774 VanDerWaalsContact CE1-CG2 3.45Å; F770-V774 HydrophobicContact CE2-CG2 3.69Å; F770-V774 HydrophobicContact CG-CG2 4.12Å; F770-V774 HydrophobicContact CZ-CG2 3.36Å; F770-V774 VanDerWaalsContact O-CG2 3.31Å; F770-V774 WeakPolarHBondContact O-CG2 3.45Å; F770-V774 PolarHBondContact O-N 2.9Å
771	C	97.9	Very high	95	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.014	20%	0.199	C	C	.	.	H	α-helix	trans	-58.3	-41.4	173.1	-69.1	0	0	0	0	112.2	L732 V747 Q767 Y768 E769 V775	L732-C771 WeakPolarHBondContact CD2-O 3.43Å; V747-C771 HydrophobicContact CG1-CB 3.65Å; Q767-C771 PolarHBondContact O-N 2.85Å; Q767-C771 PolarHBondContact O-SG 3.38Å; Y768-C771 WeakPolarHBondContact O-CB 3.31Å; Y768-C771 PolarHBondContact O-N 2.83Å; E769-C771 VanDerWaalsContact C-N 3.27Å; E769-C771 PolarHBondContact O-N 3.37Å; C771-V775 WeakPolarHBondContact O-CG2 3.37Å; C771-V775 PolarHBondContact O-N 3.15Å
772	Y	96.3	Very high	94.2	Very high	5 Å²	5	43.2 Å²	43.2	2%	0.02	22%	0.219	C	C	.	.	H	α-helix	trans	-70.5	-45.6	175.8	-86.9	-71.4	0	0	0	112.3	L501 H504 L505 L508 L520 E523 V747 Y768 E769 F770 V774 V775 Q776	L501-Y772 HydrophobicContact CD1-CD1 4.24Å; H504-Y772 AromaticContact CD2-CE1 3.82Å; H504-Y772 AromaticContact NE2-CE1 3.58Å; H504-Y772 AromaticContact NE2-CE2 3.99Å; H504-Y772 AromaticContact NE2-CZ 3.11Å; H504-Y772 PolarHBondContact NE2-OH 2.93Å; L505-Y772 HydrophobicContact CD2-CD1 3.61Å; L505-Y772 HydrophobicContact CD2-CE1 4.42Å; L505-Y772 HydrophobicContact CD2-CG 3.86Å; L508-Y772 HydrophobicContact CD1-CD2 4.1Å; L508-Y772 HydrophobicContact CD1-CE1 4.13Å; L508-Y772 HydrophobicContact CD1-CE2 3.68Å; L508-Y772 HydrophobicContact CD1-CG 4.48Å; L520-Y772 HydrophobicContact CD1-CD2 3.87Å; L520-Y772 HydrophobicContact CD1-CE2 4.09Å; E523-Y772 PolarHBondContact OE2-OH 3.49Å; V747-Y772 HydrophobicContact CB-CD1 4.46Å; V747-Y772 HydrophobicContact CB-CD2 4.42Å; V747-Y772 HydrophobicContact CB-CE1 4.01Å; V747-Y772 HydrophobicContact CB-CE2 3.96Å; V747-Y772 HydrophobicContact CG1-CD2 4.19Å; V747-Y772 HydrophobicContact CG1-CE2 4.02Å; V747-Y772 HydrophobicContact CG2-CD1 3.9Å; V747-Y772 HydrophobicContact CG2-CE1 3.74Å; V747-Y772 HydrophobicContact CG2-CE2 4.42Å; V747-Y772 HydrophobicContact CG2-CG 4.32Å; Y768-Y772 HydrophobicContact CD1-CE2 4.47Å; Y768-Y772 HydrophobicContact CE1-CD2 4.35Å; Y768-Y772 AromaticContact CE1-CE2 3.76Å; Y768-Y772 HydrophobicContact CE1-CE2 3.76Å; Y768-Y772 HydrophobicContact CE2-CE2 4.42Å; Y768-Y772 AromaticContact CZ-CE2 3.71Å; Y768-Y772 PolarHBondContact O-N 2.91Å; E769-Y772 WeakPolarHBondContact O-CB 3.22Å; E769-Y772 PolarHBondContact O-N 3.3Å; F770-Y772 VanDerWaalsContact C-N 3.29Å; F770-Y772 PolarHBondContact O-N 3.32Å; Y772-V774 PolarHBondContact O-N 3.13Å; Y772-V775 PolarHBondContact O-N 3.04Å; Y772-Q776 PolarHBondContact O-N 3.01Å
773	K	95	Very high	92.9	Very high	74 Å²	74	46.6 Å²	46.6	32%	0.322	24%	0.243	S	C	.	.	H	α-helix	trans	-58.7	-48.1	-179.2	178.3	173.6	172.4	178.4	0	112.8	A691 E769 F770 V775 Q776 E777	A691-K773 PolarHBondContact O-NZ 2.86Å; E769-K773 PolarHBondContact O-N 2.91Å; F770-K773 PolarHBondContact O-N 2.78Å; K773-V775 VanDerWaalsContact C-N 3.28Å; K773-V775 PolarHBondContact O-N 2.85Å; K773-Q776 WeakPolarHBondContact O-CB 3.5Å; K773-Q776 PolarHBondContact O-N 3.3Å; K773-E777 WeakPolarHBondContact CE-OE1 3.31Å; K773-E777 WeakPolarHBondContact CG-OE1 3.37Å; K773-E777 PolarHBondContact O-N 2.89Å
774	V	96.2	Very high	91.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66	-31.7	179.2	-177.7	0	0	0	0	111.9	M696 I697 L732 F770 Y772 Y778	M696-V774 HydrophobicContact CB-CG1 4.43Å; M696-V774 HydrophobicContact CG-CG1 4.45Å; I697-V774 HydrophobicContact CD1-CG1 4.06Å; I697-V774 HydrophobicContact CG1-CG1 3.63Å; L732-V774 HydrophobicContact CD1-CB 3.92Å; L732-V774 HydrophobicContact CD1-CG1 4.02Å; L732-V774 HydrophobicContact CD1-CG2 3.98Å; L732-V774 HydrophobicContact CD2-CB 3.77Å; L732-V774 HydrophobicContact CD2-CG1 4.06Å; F770-V774 HydrophobicContact CD1-CG2 3.83Å; F770-V774 HydrophobicContact CD2-CG2 4.06Å; F770-V774 HydrophobicContact CE1-CG2 3.45Å; F770-V774 VanDerWaalsContact CE1-CG2 3.45Å; F770-V774 HydrophobicContact CE2-CG2 3.69Å; F770-V774 HydrophobicContact CG-CG2 4.12Å; F770-V774 HydrophobicContact CZ-CG2 3.36Å; F770-V774 VanDerWaalsContact O-CG2 3.31Å; F770-V774 WeakPolarHBondContact O-CG2 3.45Å; F770-V774 PolarHBondContact O-N 2.9Å; Y772-V774 PolarHBondContact O-N 3.13Å; V774-Y778 VanDerWaalsContact O-CB 3.29Å; V774-Y778 WeakPolarHBondContact O-CB 3.25Å; V774-Y778 PolarHBondContact O-N 3.39Å
775	V	95.7	Very high	89.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-69.8	-39.4	174.7	172.2	0	0	0	0	111.2	L501 L732 V735 L736 V739 L745 C771 Y772 K773 I779	L501-V775 HydrophobicContact CD2-CG1 4.18Å; L732-V775 HydrophobicContact CD2-CG2 3.85Å; V735-V775 HydrophobicContact CB-CG2 4.31Å; V735-V775 HydrophobicContact CG1-CG1 4.26Å; V735-V775 HydrophobicContact CG1-CG2 3.63Å; L736-V775 HydrophobicContact CD2-CG2 4Å; V739-V775 HydrophobicContact CG2-CG1 4.46Å; L745-V775 HydrophobicContact CB-CG1 4.48Å; L745-V775 HydrophobicContact CD1-CG1 4.35Å; L745-V775 HydrophobicContact CD2-CG1 4.34Å; C771-V775 WeakPolarHBondContact O-CG2 3.37Å; C771-V775 PolarHBondContact O-N 3.15Å; Y772-V775 PolarHBondContact O-N 3.04Å; K773-V775 VanDerWaalsContact C-N 3.28Å; K773-V775 PolarHBondContact O-N 2.85Å; V775-I779 HydrophobicContact CG1-CD1 3.85Å; V775-I779 WeakPolarHBondContact O-CD1 3.4Å; V775-I779 WeakPolarHBondContact O-CG1 3.38Å; V775-I779 PolarHBondContact O-N 2.86Å; V775-I779 VanDerWaalsContact O-N 3.09Å
776	Q	93.7	Very high	88.2	Confident	69 Å²	69	52.1 Å²	52.1	32%	0.322	28%	0.278	S	S	.	.	H	α-helix	trans	-61.7	-55.2	172.4	-176.5	-179.7	5.2	0	0	111.3	L501 L505 Y772 K773 Y778 I779 D780	L501-Q776 HydrophobicContact CD2-CB 4.12Å; L505-Q776 HydrophobicContact CD1-CB 4.05Å; L505-Q776 HydrophobicContact CD1-CG 4.16Å; Y772-Q776 PolarHBondContact O-N 3.01Å; K773-Q776 WeakPolarHBondContact O-CB 3.5Å; K773-Q776 PolarHBondContact O-N 3.3Å; Q776-Y778 PolarHBondContact O-N 2.9Å; Q776-I779 WeakPolarHBondContact O-CB 3.39Å; Q776-I779 PolarHBondContact O-N 3.24Å; Q776-D780 PolarHBondContact O-N 2.87Å
777	E	93.6	Very high	86.6	Confident	49 Å²	49	51.2 Å²	51.2	23%	0.229	28%	0.277	C	S	.	.	H	α-helix	trans	-57.6	-35	-179.8	-70.9	179.4	-146.4	0	0	112.6	G693 I697 K773 A781	G693-E777 VanDerWaalsContact CA-OE2 3.3Å; G693-E777 WeakPolarHBondContact CA-OE2 3.33Å; G693-E777 VanDerWaalsContact N-CD 3.32Å; G693-E777 PolarHBondContact N-OE1 3.47Å; G693-E777 PolarHBondContact N-OE2 3.36Å; I697-E777 HydrophobicContact CD1-CB 4.46Å; K773-E777 WeakPolarHBondContact CE-OE1 3.31Å; K773-E777 WeakPolarHBondContact CG-OE1 3.37Å; K773-E777 PolarHBondContact O-N 2.89Å; E777-A781 WeakPolarHBondContact O-CB 3.44Å; E777-A781 PolarHBondContact O-N 2.81Å
778	Y	92.8	Very high	84.5	Confident	27 Å²	27	51.1 Å²	51.1	11%	0.106	28%	0.276	C	S	.	.	H	α-helix	trans	-65.9	-43.6	173.5	-177.5	-95.9	0	0	0	112.7	I697 L736 V739 V774 Q776 F782 F788	I697-Y778 HydrophobicContact CD1-CD2 4.29Å; I697-Y778 HydrophobicContact CG1-CD2 4.24Å; I697-Y778 HydrophobicContact CG2-CD2 3.86Å; I697-Y778 HydrophobicContact CG2-CE2 4.29Å; L736-Y778 HydrophobicContact CD1-CD2 4.32Å; L736-Y778 HydrophobicContact CD2-CD1 3.66Å; L736-Y778 HydrophobicContact CD2-CD2 4.12Å; L736-Y778 HydrophobicContact CD2-CE1 4.31Å; L736-Y778 HydrophobicContact CD2-CG 3.55Å; V739-Y778 HydrophobicContact CG1-CD1 4.39Å; V739-Y778 HydrophobicContact CG1-CE1 4.31Å; V774-Y778 VanDerWaalsContact O-CB 3.29Å; V774-Y778 WeakPolarHBondContact O-CB 3.25Å; V774-Y778 PolarHBondContact O-N 3.39Å; Q776-Y778 PolarHBondContact O-N 2.9Å; Y778-F782 HydrophobicContact CD1-CD2 4.41Å; Y778-F782 AromaticContact CD2-CD2 3.65Å; Y778-F782 HydrophobicContact CD2-CD2 3.65Å; Y778-F782 AromaticContact CD2-CE2 3.72Å; Y778-F782 HydrophobicContact CD2-CE2 3.72Å; Y778-F782 HydrophobicContact CE1-CD2 4.29Å; Y778-F782 AromaticContact CE2-CD2 3.48Å; Y778-F782 HydrophobicContact CE2-CD2 3.48Å; Y778-F782 VanDerWaalsContact CE2-CD2 3.48Å; Y778-F782 AromaticContact CE2-CE2 3.47Å; Y778-F782 HydrophobicContact CE2-CE2 3.47Å; Y778-F782 VanDerWaalsContact CE2-CE2 3.47Å; Y778-F782 HydrophobicContact CG-CD2 4.11Å; Y778-F782 AromaticContact CZ-CD2 3.82Å; Y778-F782 WeakPolarHBondContact O-CB 3.32Å; Y778-F782 VanDerWaalsContact O-CD2 3.31Å; Y778-F782 WeakPolarHBondContact O-CD2 3.27Å; Y778-F782 PolarHBondContact O-N 3.41Å; Y778-F782 VanDerWaalsContact O-N 3.09Å; Y778-F788 HydrophobicContact CE1-CZ 4.13Å
779	I	90.1	Very high	82.1	Confident	15 Å²	15	59.7 Å²	59.7	8%	0.077	31%	0.313	C	S	.	.	H	α-helix	trans	-65.4	-44	177.7	-76.5	159.2	0	0	0	110.4	V498 L501 V739 L745 V775 Q776 F782 S783	V498-I779 HydrophobicContact CB-CD1 4.38Å; V498-I779 HydrophobicContact CG1-CB 4.45Å; V498-I779 HydrophobicContact CG1-CD1 3.97Å; V498-I779 HydrophobicContact CG1-CG1 4Å; V498-I779 HydrophobicContact CG1-CG2 3.6Å; V498-I779 HydrophobicContact CG2-CD1 3.87Å; V498-I779 HydrophobicContact CG2-CG1 4.25Å; L501-I779 HydrophobicContact CD2-CD1 3.48Å; L501-I779 VanDerWaalsContact CD2-CD1 3.48Å; V739-I779 HydrophobicContact CG1-CD1 4.42Å; V739-I779 HydrophobicContact CG1-CG1 4.14Å; L745-I779 HydrophobicContact CD2-CD1 4.17Å; V775-I779 HydrophobicContact CG1-CD1 3.85Å; V775-I779 WeakPolarHBondContact O-CD1 3.4Å; V775-I779 WeakPolarHBondContact O-CG1 3.38Å; V775-I779 PolarHBondContact O-N 2.86Å; V775-I779 VanDerWaalsContact O-N 3.09Å; Q776-I779 WeakPolarHBondContact O-CB 3.39Å; Q776-I779 PolarHBondContact O-N 3.24Å; I779-F782 CarbonylContact O-C 3.54Å; I779-F782 PolarHBondContact O-N 3.2Å; I779-S783 WeakPolarHBondContact O-CA 3.36Å; I779-S783 WeakPolarHBondContact O-CB 3.26Å; I779-S783 PolarHBondContact O-N 3.41Å
780	D	87.6	Confident	81.4	Confident	92 Å²	92	57.8 Å²	57.8	49%	0.492	31%	0.306	S	S	.	.	H	α-helix	trans	-62.6	-47.6	179.2	-64.1	-21.7	0	0	0	111	Q776 F782 S783	Q776-D780 PolarHBondContact O-N 2.87Å; D780-F782 VanDerWaalsContact C-N 3.29Å; D780-F782 PolarHBondContact O-N 3.08Å; D780-S783 WeakPolarHBondContact O-CB 3.3Å; D780-S783 PolarHBondContact O-N 2.89Å; D780-S783 PolarHBondContact O-OG 3.15Å
781	A	85.3	Confident	80.6	Confident	73 Å²	73	60.8 Å²	60.8	60%	0.603	32%	0.322	S	S	*	.	H	α-helix	trans	-67.5	-22.9	179.5	0	0	0	0	0	114.4	E777	E777-A781 WeakPolarHBondContact O-CB 3.44Å; E777-A781 PolarHBondContact O-N 2.81Å
782	F	81.1	Confident	79.6	Confident	97 Å²	97	64.1 Å²	64.1	43%	0.425	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119	25.1	178.2	-64.8	-67.8	0	0	0	112.8	Y778 I779 D780 D784 Y785 F788	Y778-F782 HydrophobicContact CD1-CD2 4.41Å; Y778-F782 AromaticContact CD2-CD2 3.65Å; Y778-F782 HydrophobicContact CD2-CD2 3.65Å; Y778-F782 AromaticContact CD2-CE2 3.72Å; Y778-F782 HydrophobicContact CD2-CE2 3.72Å; Y778-F782 HydrophobicContact CE1-CD2 4.29Å; Y778-F782 AromaticContact CE2-CD2 3.48Å; Y778-F782 HydrophobicContact CE2-CD2 3.48Å; Y778-F782 VanDerWaalsContact CE2-CD2 3.48Å; Y778-F782 AromaticContact CE2-CE2 3.47Å; Y778-F782 HydrophobicContact CE2-CE2 3.47Å; Y778-F782 VanDerWaalsContact CE2-CE2 3.47Å; Y778-F782 HydrophobicContact CG-CD2 4.11Å; Y778-F782 AromaticContact CZ-CD2 3.82Å; Y778-F782 WeakPolarHBondContact O-CB 3.32Å; Y778-F782 VanDerWaalsContact O-CD2 3.31Å; Y778-F782 WeakPolarHBondContact O-CD2 3.27Å; Y778-F782 PolarHBondContact O-N 3.41Å; Y778-F782 VanDerWaalsContact O-N 3.09Å; I779-F782 CarbonylContact O-C 3.54Å; I779-F782 PolarHBondContact O-N 3.2Å; D780-F782 VanDerWaalsContact C-N 3.29Å; D780-F782 PolarHBondContact O-N 3.08Å; F782-D784 PolarHBondContact O-N 3.03Å; F782-Y785 WeakPolarHBondContact O-CB 3.5Å; F782-Y785 PolarHBondContact O-N 3.37Å; F782-F788 HydrophobicContact CB-CE2 3.96Å; F782-F788 VanDerWaalsContact O-CD2 3.3Å; F782-F788 WeakPolarHBondContact O-CD2 3.36Å; F782-F788 WeakPolarHBondContact O-CE2 3.5Å
783	S	71.2	Confident	78.7	Confident	71 Å²	71	67.6 Å²	67.6	50%	0.497	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.1	-173.7	45.2	0	0	0	0	114.9	I779 D780 Y785 K789	I779-S783 WeakPolarHBondContact O-CA 3.36Å; I779-S783 WeakPolarHBondContact O-CB 3.26Å; I779-S783 PolarHBondContact O-N 3.41Å; D780-S783 WeakPolarHBondContact O-CB 3.3Å; D780-S783 PolarHBondContact O-N 2.89Å; D780-S783 PolarHBondContact O-OG 3.15Å; S783-Y785 VanDerWaalsContact C-N 3.32Å; S783-K789 WeakPolarHBondContact O-CE 3.41Å
784	D	68.8	Low	77.6	Confident	133 Å²	133	67.2 Å²	67.2	71%	0.711	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-12.9	173.5	-102.9	-39.5	0	0	0	114.9	F782 K789	F782-D784 PolarHBondContact O-N 3.03Å; D784-K789 PolarHBondContact O-NZ 2.96Å; D784-K789 IonicContact OD1-NZ 3.69Å; D784-K789 PolarHBondContact OD1-NZ 3.48Å
785	Y	62.8	Low	76.4	Confident	95 Å²	95	71.7 Å²	71.7	37%	0.373	38%	0.384	S	S	.	.			trans	-64.7	130.6	-174	-160.6	-98.4	0	0	0	111.9	K740 F782 S783 N787 F788	K740-Y785 VanDerWaalsContact CE-OH 3.31Å; K740-Y785 WeakPolarHBondContact CE-OH 3.21Å; K740-Y785 HydrophobicContact CG-CE1 4Å; K740-Y785 WeakPolarHBondContact CG-OH 3.27Å; F782-Y785 WeakPolarHBondContact O-CB 3.5Å; F782-Y785 PolarHBondContact O-N 3.37Å; S783-Y785 VanDerWaalsContact C-N 3.32Å; Y785-N787 HydrophobicContact CD1-CB 4.06Å; Y785-N787 HydrophobicContact CE1-CB 4.18Å; Y785-N787 PolarHBondContact O-N 3.28Å; Y785-F788 HydrophobicContact CD1-CE1 4.12Å; Y785-F788 HydrophobicContact CD1-CE2 4.47Å; Y785-F788 HydrophobicContact CD1-CZ 4.1Å; Y785-F788 HydrophobicContact CG-CE2 4.42Å; Y785-F788 HydrophobicContact CG-CZ 4.43Å; Y785-F788 WeakPolarHBondContact O-CB 3.3Å; Y785-F788 PolarHBondContact O-N 3.48Å
786	A	60.2	Low	75	Confident	80 Å²	80	76.8 Å²	76.8	66%	0.661	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-62.2	-20.3	-166.5	0	0	0	0	0	115.5	F788	A786-F788 VanDerWaalsContact C-N 3.28Å; A786-F788 PolarHBondContact O-N 2.95Å
787	N	61.6	Low	73.6	Confident	76 Å²	76	77.4 Å²	77.4	41%	0.406	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-82.9	0.3	176.8	-65.3	-7.8	0	0	0	113.4	K740 G743 Y785	K740-N787 PolarHBondContact O-ND2 3.42Å; G743-N787 WeakPolarHBondContact CA-O 3.35Å; Y785-N787 HydrophobicContact CD1-CB 4.06Å; Y785-N787 HydrophobicContact CE1-CB 4.18Å; Y785-N787 PolarHBondContact O-N 3.28Å
788	F	53.9	Low	71.9	Confident	18 Å²	18	79.8 Å²	79.8	8%	0.079	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-109.7	7.1	-178.7	-54.4	-15.5	0	0	0	113	V498 V739 Y778 F782 Y785 A786	V498-F788 HydrophobicContact CB-CD1 4.49Å; V498-F788 HydrophobicContact CG1-CB 3.85Å; V498-F788 HydrophobicContact CG1-CD1 4.23Å; V498-F788 HydrophobicContact CG1-CG 4.01Å; V498-F788 HydrophobicContact CG2-CD1 4.05Å; V498-F788 HydrophobicContact CG2-CE1 4.48Å; V739-F788 HydrophobicContact CG1-CD1 4.35Å; V739-F788 HydrophobicContact CG1-CE1 3.44Å; V739-F788 VanDerWaalsContact CG1-CE1 3.44Å; V739-F788 HydrophobicContact CG1-CZ 3.65Å; Y778-F788 HydrophobicContact CE1-CZ 4.13Å; F782-F788 HydrophobicContact CB-CE2 3.96Å; F782-F788 VanDerWaalsContact O-CD2 3.3Å; F782-F788 WeakPolarHBondContact O-CD2 3.36Å; F782-F788 WeakPolarHBondContact O-CE2 3.5Å; Y785-F788 HydrophobicContact CD1-CE1 4.12Å; Y785-F788 HydrophobicContact CD1-CE2 4.47Å; Y785-F788 HydrophobicContact CD1-CZ 4.1Å; Y785-F788 HydrophobicContact CG-CE2 4.42Å; Y785-F788 HydrophobicContact CG-CZ 4.43Å; Y785-F788 WeakPolarHBondContact O-CB 3.3Å; Y785-F788 PolarHBondContact O-N 3.48Å; A786-F788 VanDerWaalsContact C-N 3.28Å; A786-F788 PolarHBondContact O-N 2.95Å
789	K	47.8	Very low	70	Confident	180 Å²	180	84.5 Å²	84.5	78%	0.783	46%	0.464	S	S	*	.			trans	-122.9	0	-171.4	-69.5	177.1	174.3	168.4	0	112	S783 D784	S783-K789 WeakPolarHBondContact O-CE 3.41Å; D784-K789 PolarHBondContact O-NZ 2.96Å; D784-K789 IonicContact OD1-NZ 3.69Å; D784-K789 PolarHBondContact OD1-NZ 3.48Å

Retrieved 789 of 789 residues in 701.6 ms (Link to these results)

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